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 2r5i_1_M DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.604 177.584 0.034 0.000 1.274 20 A CA 0.000 52.044 52.037 0.012 0.000 0.836 20 A CB 0.000 19.015 19.000 0.025 0.000 0.831 21 V N 1.976 121.845 119.914 -0.076 0.000 2.834 21 V HA 0.607 4.727 4.120 -0.000 0.000 0.301 21 V C 0.222 176.193 176.094 -0.206 0.000 1.066 21 V CA -0.227 62.016 62.300 -0.095 0.000 1.052 21 V CB 1.595 33.188 31.823 -0.383 0.000 1.021 21 V HN 0.830 nan 8.190 nan 0.000 0.480 22 V N 2.502 122.419 119.914 0.005 0.000 2.876 22 V HA 0.378 4.498 4.120 -0.000 0.000 0.312 22 V C 0.109 176.290 176.094 0.145 0.000 1.085 22 V CA -1.186 61.076 62.300 -0.064 0.000 0.945 22 V CB 2.057 33.840 31.823 -0.068 0.000 1.017 22 V HN 0.841 nan 8.190 nan 0.000 0.428 23 N N 2.157 120.989 118.700 0.219 0.000 2.301 23 N HA -0.069 4.671 4.740 -0.000 0.000 0.267 23 N C 1.534 177.153 175.510 0.183 0.000 1.304 23 N CA 0.906 54.133 53.050 0.294 0.000 0.851 23 N CB 1.437 40.057 38.487 0.223 0.000 1.070 23 N HN 1.048 nan 8.380 nan 0.000 0.483 24 T N -0.183 114.441 114.554 0.116 0.000 2.849 24 T HA -0.158 4.192 4.350 -0.000 0.000 0.270 24 T C 0.925 175.450 174.700 -0.292 0.000 1.066 24 T CA 1.099 63.033 62.100 -0.276 0.000 1.130 24 T CB 0.054 68.820 68.868 -0.170 0.000 0.864 24 T HN 0.400 nan 8.240 nan 0.000 0.481 25 D N 1.731 122.085 120.400 -0.077 0.000 2.265 25 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 25 D C 1.491 177.782 176.300 -0.016 0.000 0.977 25 D CA 1.060 55.034 54.000 -0.044 0.000 0.871 25 D CB -0.315 40.492 40.800 0.011 0.000 0.925 25 D HN 0.494 nan 8.370 nan 0.000 0.485 26 D N -0.626 119.789 120.400 0.025 0.000 2.277 26 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 26 D C 1.503 177.899 176.300 0.160 0.000 0.962 26 D CA 0.631 54.684 54.000 0.089 0.000 0.865 26 D CB -0.058 40.810 40.800 0.113 0.000 0.939 26 D HN 0.555 nan 8.370 nan 0.000 0.510 27 Y N -2.257 118.059 120.300 0.025 0.000 2.527 27 Y HA 0.488 5.038 4.550 -0.000 0.000 0.247 27 Y C -0.087 175.872 175.900 0.097 0.000 1.138 27 Y CA -0.525 57.605 58.100 0.049 0.000 1.228 27 Y CB 0.455 38.937 38.460 0.038 0.000 1.252 27 Y HN -0.347 nan 8.280 nan 0.000 0.531 28 V N 2.356 122.200 119.914 -0.115 0.000 2.376 28 V HA 0.329 4.449 4.120 -0.000 0.000 0.287 28 V C -0.298 175.763 176.094 -0.055 0.000 1.015 28 V CA -0.631 61.616 62.300 -0.088 0.000 0.834 28 V CB 1.414 33.108 31.823 -0.215 0.000 1.001 28 V HN 0.344 nan 8.190 nan 0.000 0.428 29 T N 5.311 119.852 114.554 -0.022 0.000 2.845 29 T HA 0.514 4.864 4.350 -0.000 0.000 0.288 29 T C 0.083 174.755 174.700 -0.047 0.000 0.980 29 T CA -0.580 61.506 62.100 -0.022 0.000 1.071 29 T CB 0.922 69.787 68.868 -0.005 0.000 0.941 29 T HN 0.505 nan 8.240 nan 0.000 0.487 30 R N 1.466 121.941 120.500 -0.041 0.000 2.404 30 R HA 0.546 4.886 4.340 -0.000 0.000 0.291 30 R C 1.028 177.286 176.300 -0.070 0.000 1.025 30 R CA -0.608 55.456 56.100 -0.060 0.000 0.991 30 R CB 1.038 31.318 30.300 -0.034 0.000 1.053 30 R HN 0.851 nan 8.270 nan 0.000 0.479 31 T N -2.180 112.304 114.554 -0.117 0.000 2.898 31 T HA 0.202 4.552 4.350 -0.000 0.000 0.283 31 T C 0.939 175.544 174.700 -0.158 0.000 1.059 31 T CA -0.474 61.564 62.100 -0.104 0.000 0.958 31 T CB 1.111 69.916 68.868 -0.105 0.000 1.594 31 T HN 0.502 nan 8.240 nan 0.000 0.598 32 S N -0.765 114.864 115.700 -0.119 0.000 2.593 32 S HA 0.328 4.798 4.470 -0.000 0.000 0.236 32 S C 0.240 174.775 174.600 -0.109 0.000 0.991 32 S CA -0.691 57.461 58.200 -0.079 0.000 0.963 32 S CB -0.255 62.973 63.200 0.047 0.000 0.865 32 S HN 0.574 nan 8.310 nan 0.000 0.488 33 I N 2.694 123.158 120.570 -0.177 0.000 2.371 33 I HA 0.471 4.641 4.170 -0.000 0.000 0.290 33 I C -0.673 175.387 176.117 -0.096 0.000 1.028 33 I CA -0.908 60.374 61.300 -0.031 0.000 1.345 33 I CB -0.448 37.615 38.000 0.105 0.000 1.407 33 I HN 0.159 nan 8.210 nan 0.000 0.501 34 F N 5.858 125.868 119.950 0.100 0.000 2.551 34 F HA 0.539 5.066 4.527 -0.000 0.000 0.316 34 F C -0.406 175.382 175.800 -0.020 0.000 1.089 34 F CA -0.668 57.385 58.000 0.089 0.000 0.915 34 F CB 1.910 40.865 39.000 -0.076 0.000 1.186 34 F HN 0.219 nan 8.300 nan 0.000 0.456 35 Y N 0.811 121.199 120.300 0.147 0.000 2.570 35 Y HA 0.383 4.933 4.550 -0.000 0.000 0.345 35 Y C -0.242 175.546 175.900 -0.188 0.000 1.014 35 Y CA -0.899 57.210 58.100 0.016 0.000 1.063 35 Y CB 1.639 40.083 38.460 -0.028 0.000 1.272 35 Y HN 0.523 nan 8.280 nan 0.000 0.477 36 H N 1.321 120.296 119.070 -0.159 0.000 2.567 36 H HA 0.902 5.458 4.556 -0.000 0.000 0.345 36 H C -1.646 173.386 175.328 -0.494 0.000 1.169 36 H CA -0.557 55.282 56.048 -0.349 0.000 1.227 36 H CB 1.734 31.283 29.762 -0.355 0.000 1.607 36 H HN 0.827 nan 8.280 nan 0.000 0.534 37 A N 1.361 123.657 122.820 -0.873 0.000 2.604 37 A HA 0.648 4.968 4.320 -0.000 0.000 0.295 37 A C -1.059 176.271 177.584 -0.424 0.000 1.067 37 A CA -0.077 51.663 52.037 -0.496 0.000 0.683 37 A CB 1.649 20.250 19.000 -0.667 0.000 1.281 37 A HN 1.005 nan 8.150 nan 0.000 0.407 38 G N 0.178 108.916 108.800 -0.104 0.000 2.752 38 G HA2 0.641 4.601 3.960 -0.000 0.000 0.298 38 G HA3 0.641 4.601 3.960 -0.000 0.000 0.298 38 G C -0.352 174.563 174.900 0.025 0.000 1.434 38 G CA 0.323 45.398 45.100 -0.041 0.000 1.004 38 G HN 1.830 nan 8.290 nan 0.000 0.560 39 S N 0.639 116.340 115.700 0.002 0.000 2.593 39 S HA 0.524 4.994 4.470 -0.000 0.000 0.269 39 S C 1.741 176.344 174.600 0.005 0.000 1.334 39 S CA 0.692 58.888 58.200 -0.007 0.000 1.015 39 S CB 1.322 64.467 63.200 -0.091 0.000 0.912 39 S HN 1.589 nan 8.310 nan 0.000 0.541 40 S N 1.927 117.645 115.700 0.031 0.000 2.396 40 S HA 0.033 4.503 4.470 -0.000 0.000 0.204 40 S C 0.854 175.467 174.600 0.022 0.000 1.060 40 S CA 0.452 58.678 58.200 0.045 0.000 1.098 40 S CB -0.561 62.678 63.200 0.065 0.000 1.022 40 S HN 0.977 nan 8.310 nan 0.000 0.413 41 R N 0.503 121.023 120.500 0.032 0.000 2.912 41 R HA 0.340 4.680 4.340 -0.000 0.000 0.278 41 R C -1.760 174.583 176.300 0.072 0.000 1.533 41 R CA -0.375 55.739 56.100 0.024 0.000 1.061 41 R CB 0.266 30.584 30.300 0.030 0.000 1.313 41 R HN 0.440 nan 8.270 nan 0.000 0.443 42 L N 4.210 125.463 121.223 0.050 0.000 2.499 42 L HA 0.266 4.606 4.340 -0.000 0.000 0.273 42 L C -0.276 176.766 176.870 0.286 0.000 1.195 42 L CA -0.168 54.784 54.840 0.188 0.000 0.882 42 L CB 0.313 42.277 42.059 -0.158 0.000 1.133 42 L HN 0.406 nan 8.230 nan 0.000 0.483 43 L N 3.030 124.511 121.223 0.430 0.000 2.445 43 L HA 0.721 5.061 4.340 -0.000 0.000 0.262 43 L C -0.513 176.561 176.870 0.340 0.000 0.974 43 L CA 0.044 55.082 54.840 0.329 0.000 0.822 43 L CB 2.436 44.599 42.059 0.174 0.000 1.339 43 L HN 0.636 nan 8.230 nan 0.000 0.409 44 T N 3.537 118.247 114.554 0.260 0.000 3.041 44 T HA 0.737 5.087 4.350 -0.000 0.000 0.321 44 T C -1.569 173.160 174.700 0.048 0.000 1.184 44 T CA -0.018 62.158 62.100 0.126 0.000 1.050 44 T CB 1.019 69.948 68.868 0.102 0.000 1.159 44 T HN 0.978 nan 8.240 nan 0.000 0.469 45 V N 1.534 121.452 119.914 0.007 0.000 3.040 45 V HA 1.117 5.237 4.120 -0.000 0.000 0.312 45 V C 0.134 176.223 176.094 -0.010 0.000 1.115 45 V CA 0.168 62.459 62.300 -0.015 0.000 0.998 45 V CB 1.349 33.160 31.823 -0.020 0.000 1.042 45 V HN 1.476 nan 8.190 nan 0.000 0.433 46 G N 1.056 109.852 108.800 -0.006 0.000 2.335 46 G HA2 0.319 4.279 3.960 -0.000 0.000 0.291 46 G HA3 0.319 4.279 3.960 -0.000 0.000 0.291 46 G C -1.981 172.903 174.900 -0.026 0.000 1.261 46 G CA -0.055 45.041 45.100 -0.007 0.000 0.871 46 G HN 1.013 nan 8.290 nan 0.000 0.491 47 D N 0.437 120.798 120.400 -0.065 0.000 2.210 47 D HA 0.404 5.044 4.640 -0.000 0.000 0.249 47 D C -1.295 174.888 176.300 -0.196 0.000 1.062 47 D CA -1.800 52.084 54.000 -0.192 0.000 0.891 47 D CB 2.589 43.226 40.800 -0.273 0.000 1.186 47 D HN 0.053 nan 8.370 nan 0.000 0.432 48 P HA -0.051 nan 4.420 nan 0.000 0.227 48 P C 0.862 178.164 177.300 0.003 0.000 1.161 48 P CA 0.841 63.833 63.100 -0.179 0.000 0.788 48 P CB 0.210 31.724 31.700 -0.309 0.000 0.822 49 Y N -0.519 119.611 120.300 -0.285 0.000 2.524 49 Y HA 0.234 4.784 4.550 -0.000 0.000 0.270 49 Y C 0.962 176.786 175.900 -0.127 0.000 1.094 49 Y CA -0.731 57.225 58.100 -0.240 0.000 1.276 49 Y CB 0.295 38.561 38.460 -0.322 0.000 1.130 49 Y HN -0.132 nan 8.280 nan 0.000 0.536 50 F N -0.885 119.170 119.950 0.175 0.000 2.770 50 F HA 0.453 4.980 4.527 -0.000 0.000 0.313 50 F C -0.938 174.905 175.800 0.072 0.000 1.154 50 F CA -2.370 55.696 58.000 0.111 0.000 0.923 50 F CB 0.596 39.652 39.000 0.094 0.000 1.301 50 F HN -0.208 nan 8.300 nan 0.000 0.449 51 R N 0.842 121.552 120.500 0.351 0.000 2.582 51 R HA 0.758 5.098 4.340 -0.000 0.000 0.271 51 R C -1.587 174.905 176.300 0.319 0.000 1.078 51 R CA -0.752 55.490 56.100 0.236 0.000 1.127 51 R CB 1.310 31.693 30.300 0.138 0.000 1.038 51 R HN 0.550 nan 8.270 nan 0.000 0.500 52 V N 4.163 124.211 119.914 0.224 0.000 2.328 52 V HA 0.278 4.398 4.120 -0.000 0.000 0.278 52 V C -2.054 174.109 176.094 0.115 0.000 1.021 52 V CA -2.309 60.116 62.300 0.208 0.000 0.838 52 V CB 1.365 33.303 31.823 0.191 0.000 0.999 52 V HN 0.809 nan 8.190 nan 0.000 0.447 53 P HA 0.129 nan 4.420 nan 0.000 0.264 53 P C 0.130 177.459 177.300 0.048 0.000 1.193 53 P CA 0.187 63.318 63.100 0.052 0.000 0.763 53 P CB 0.452 32.171 31.700 0.032 0.000 0.810 54 A N 4.182 127.025 122.820 0.038 0.000 2.630 54 A HA 0.178 4.498 4.320 -0.000 0.000 0.231 54 A C 1.832 179.433 177.584 0.028 0.000 1.023 54 A CA 0.821 52.875 52.037 0.030 0.000 0.773 54 A CB -1.212 17.799 19.000 0.020 0.000 0.923 54 A HN 0.929 nan 8.150 nan 0.000 0.497 55 G N 1.649 110.465 108.800 0.026 0.000 2.362 55 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.308 55 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.308 55 G C 1.503 176.420 174.900 0.027 0.000 0.986 55 G CA 1.710 46.824 45.100 0.024 0.000 0.739 55 G HN 2.039 nan 8.290 nan 0.000 0.517 56 G N 0.196 109.016 108.800 0.034 0.000 2.628 56 G HA2 0.034 3.994 3.960 -0.000 0.000 0.217 56 G HA3 0.034 3.994 3.960 -0.000 0.000 0.217 56 G C 1.690 176.613 174.900 0.038 0.000 1.240 56 G CA 1.688 46.809 45.100 0.035 0.000 0.792 56 G HN 1.204 nan 8.290 nan 0.000 0.593 57 G N 0.727 109.559 108.800 0.052 0.000 2.564 57 G HA2 0.129 4.089 3.960 -0.000 0.000 0.212 57 G HA3 0.129 4.089 3.960 -0.000 0.000 0.212 57 G C 0.575 175.498 174.900 0.038 0.000 1.199 57 G CA 0.657 45.790 45.100 0.055 0.000 0.832 57 G HN 0.701 nan 8.290 nan 0.000 0.565 58 N N 0.037 118.760 118.700 0.038 0.000 2.504 58 N HA 0.166 4.905 4.740 -0.000 0.000 0.280 58 N C -0.621 174.900 175.510 0.018 0.000 1.052 58 N CA -0.662 52.400 53.050 0.020 0.000 0.887 58 N CB 1.840 40.330 38.487 0.005 0.000 1.323 58 N HN 0.281 nan 8.380 nan 0.000 0.509 59 K N 2.246 122.654 120.400 0.014 0.000 2.435 59 K HA -0.339 3.981 4.320 -0.000 0.000 0.249 59 K C -0.612 175.995 176.600 0.011 0.000 1.037 59 K CA 1.121 57.414 56.287 0.011 0.000 1.129 59 K CB -0.056 32.447 32.500 0.006 0.000 0.737 59 K HN 0.847 nan 8.250 nan 0.000 0.462 60 Q N 2.434 122.242 119.800 0.012 0.000 3.120 60 Q HA -0.152 4.188 4.340 -0.000 0.000 0.070 60 Q C -1.275 174.735 176.000 0.017 0.000 1.644 60 Q CA 0.987 56.797 55.803 0.010 0.000 0.291 60 Q CB -0.049 28.691 28.738 0.004 0.000 0.583 60 Q HN 0.763 nan 8.270 nan 0.000 0.322 61 D N 3.596 124.007 120.400 0.018 0.000 2.601 61 D HA -0.007 4.633 4.640 -0.000 0.000 0.229 61 D C 0.344 176.658 176.300 0.024 0.000 1.140 61 D CA 0.693 54.709 54.000 0.026 0.000 0.862 61 D CB 0.411 41.222 40.800 0.019 0.000 1.192 61 D HN 0.322 nan 8.370 nan 0.000 0.480 62 I N 3.816 124.410 120.570 0.040 0.000 2.359 62 I HA 0.207 4.377 4.170 -0.000 0.000 0.284 62 I C -2.114 174.025 176.117 0.036 0.000 1.018 62 I CA -2.385 58.935 61.300 0.033 0.000 1.173 62 I CB 0.802 38.831 38.000 0.049 0.000 1.326 62 I HN -0.062 nan 8.210 nan 0.000 0.462 63 P HA 0.070 nan 4.420 nan 0.000 0.271 63 P C -0.191 177.127 177.300 0.030 0.000 1.233 63 P CA -0.476 62.635 63.100 0.017 0.000 0.789 63 P CB 0.772 32.464 31.700 -0.014 0.000 0.951 64 K N 1.435 121.864 120.400 0.049 0.000 2.219 64 K HA 0.259 4.579 4.320 -0.000 0.000 0.280 64 K C -1.244 175.403 176.600 0.078 0.000 1.104 64 K CA -0.281 56.046 56.287 0.066 0.000 0.925 64 K CB -0.283 32.279 32.500 0.103 0.000 1.261 64 K HN 0.170 nan 8.250 nan 0.000 0.445 65 V N 3.241 123.204 119.914 0.082 0.000 2.313 65 V HA 0.213 4.333 4.120 -0.000 0.000 0.278 65 V C -0.134 176.110 176.094 0.250 0.000 1.017 65 V CA -0.561 61.825 62.300 0.142 0.000 0.823 65 V CB 1.134 33.020 31.823 0.104 0.000 1.010 65 V HN 0.697 nan 8.190 nan 0.000 0.443 66 S N 3.438 119.302 115.700 0.275 0.000 2.634 66 S HA 0.765 5.235 4.470 -0.000 0.000 0.296 66 S C 0.924 175.686 174.600 0.270 0.000 1.104 66 S CA 0.183 58.552 58.200 0.281 0.000 0.920 66 S CB 2.169 65.530 63.200 0.268 0.000 1.111 66 S HN 0.857 nan 8.310 nan 0.000 0.493 67 A N 1.667 124.509 122.820 0.036 0.000 2.218 67 A HA 0.261 4.581 4.320 -0.000 0.000 0.209 67 A C 0.278 177.727 177.584 -0.225 0.000 1.168 67 A CA 0.428 52.437 52.037 -0.047 0.000 0.804 67 A CB -0.482 18.341 19.000 -0.295 0.000 0.834 67 A HN 0.800 nan 8.150 nan 0.000 0.482 68 Y N 1.101 121.492 120.300 0.151 0.000 2.718 68 Y HA 0.225 4.775 4.550 -0.000 0.000 0.322 68 Y C 0.673 176.639 175.900 0.109 0.000 1.122 68 Y CA -0.287 57.894 58.100 0.136 0.000 1.348 68 Y CB -0.132 38.443 38.460 0.190 0.000 1.174 68 Y HN 0.535 nan 8.280 nan 0.000 0.523 69 Q N -1.867 118.056 119.800 0.206 0.000 2.394 69 Q HA 0.403 4.743 4.340 -0.000 0.000 0.273 69 Q C -1.460 174.641 176.000 0.169 0.000 1.089 69 Q CA -1.329 54.596 55.803 0.203 0.000 0.812 69 Q CB 1.412 30.281 28.738 0.218 0.000 1.353 69 Q HN 0.174 nan 8.270 nan 0.000 0.438 70 Y N 0.847 121.213 120.300 0.110 0.000 2.511 70 Y HA 0.113 4.663 4.550 -0.000 0.000 0.332 70 Y C 0.453 176.363 175.900 0.017 0.000 1.177 70 Y CA 0.025 58.170 58.100 0.075 0.000 1.422 70 Y CB 0.648 39.142 38.460 0.057 0.000 1.271 70 Y HN 0.275 nan 8.280 nan 0.000 0.550 71 R N 2.915 123.471 120.500 0.093 0.000 2.229 71 R HA 0.421 4.761 4.340 -0.000 0.000 0.332 71 R C -1.529 174.585 176.300 -0.311 0.000 0.989 71 R CA -0.660 55.312 56.100 -0.213 0.000 0.842 71 R CB 1.054 31.108 30.300 -0.410 0.000 1.119 71 R HN 0.422 nan 8.270 nan 0.000 0.456 72 V N 5.183 124.936 119.914 -0.269 0.000 2.326 72 V HA 0.385 4.505 4.120 -0.000 0.000 0.281 72 V C -0.312 175.628 176.094 -0.256 0.000 1.015 72 V CA -0.792 61.431 62.300 -0.128 0.000 0.823 72 V CB 0.771 32.704 31.823 0.183 0.000 1.009 72 V HN 0.463 nan 8.190 nan 0.000 0.436 73 F N 3.402 123.341 119.950 -0.018 0.000 2.411 73 F HA 0.497 5.024 4.527 -0.000 0.000 0.355 73 F C 0.871 176.532 175.800 -0.232 0.000 1.117 73 F CA -0.443 57.492 58.000 -0.107 0.000 1.139 73 F CB 0.914 39.778 39.000 -0.226 0.000 1.120 73 F HN 0.352 nan 8.300 nan 0.000 0.493 74 R N 3.768 124.157 120.500 -0.185 0.000 2.235 74 R HA 0.421 4.761 4.340 -0.000 0.000 0.338 74 R C -1.316 174.787 176.300 -0.328 0.000 1.087 74 R CA -0.328 55.410 56.100 -0.603 0.000 0.948 74 R CB 0.468 30.355 30.300 -0.688 0.000 1.099 74 R HN 0.534 nan 8.270 nan 0.000 0.483 75 V N 4.724 124.441 119.914 -0.330 0.000 2.432 75 V HA 0.078 4.198 4.120 -0.000 0.000 0.271 75 V C 0.119 176.062 176.094 -0.250 0.000 1.046 75 V CA -0.378 61.786 62.300 -0.226 0.000 0.945 75 V CB 1.297 32.967 31.823 -0.256 0.000 0.992 75 V HN 0.651 nan 8.190 nan 0.000 0.471 76 Q N 4.649 124.343 119.800 -0.175 0.000 2.296 76 Q HA 0.539 4.879 4.340 -0.000 0.000 0.257 76 Q C -0.905 174.978 176.000 -0.196 0.000 0.942 76 Q CA 0.130 55.841 55.803 -0.152 0.000 0.939 76 Q CB 1.073 29.761 28.738 -0.084 0.000 1.198 76 Q HN 0.681 nan 8.270 nan 0.000 0.429 77 L N 5.523 126.592 121.223 -0.256 0.000 2.332 77 L HA 0.689 5.029 4.340 -0.000 0.000 0.269 77 L C -2.009 174.618 176.870 -0.404 0.000 1.016 77 L CA -2.336 52.245 54.840 -0.431 0.000 0.809 77 L CB 1.706 43.446 42.059 -0.531 0.000 1.280 77 L HN 0.579 nan 8.230 nan 0.000 0.447 78 P HA 0.034 nan 4.420 nan 0.000 0.278 78 P C -1.168 175.946 177.300 -0.309 0.000 1.238 78 P CA -0.363 62.441 63.100 -0.492 0.000 0.794 78 P CB 0.884 32.088 31.700 -0.827 0.000 0.955 79 D N 4.298 124.586 120.400 -0.187 0.000 2.346 79 D HA 0.016 4.656 4.640 -0.000 0.000 0.260 79 D C -1.072 175.092 176.300 -0.227 0.000 1.252 79 D CA -1.955 51.968 54.000 -0.128 0.000 0.895 79 D CB 0.572 41.354 40.800 -0.030 0.000 1.097 79 D HN 0.226 nan 8.370 nan 0.000 0.489 80 P HA -0.113 nan 4.420 nan 0.000 0.230 80 P C 0.566 177.682 177.300 -0.307 0.000 1.158 80 P CA 0.582 63.309 63.100 -0.623 0.000 0.769 80 P CB 0.574 31.503 31.700 -1.286 0.000 0.807 81 N N 1.112 119.696 118.700 -0.193 0.000 2.220 81 N HA -0.030 4.710 4.740 -0.000 0.000 0.182 81 N C 1.167 176.694 175.510 0.028 0.000 1.023 81 N CA 0.933 53.933 53.050 -0.083 0.000 0.856 81 N CB -0.280 38.162 38.487 -0.076 0.000 0.997 81 N HN 0.295 nan 8.380 nan 0.000 0.429 82 K N 0.204 120.630 120.400 0.043 0.000 2.665 82 K HA 0.110 4.430 4.320 -0.000 0.000 0.214 82 K C -0.412 176.277 176.600 0.148 0.000 1.032 82 K CA -0.146 56.185 56.287 0.074 0.000 1.198 82 K CB -0.120 32.415 32.500 0.057 0.000 0.941 82 K HN 0.012 nan 8.250 nan 0.000 0.491 83 F N 0.328 120.239 119.950 -0.065 0.000 2.483 83 F HA 0.516 5.043 4.527 0.000 0.000 0.329 83 F C 0.514 176.301 175.800 -0.022 0.000 1.064 83 F CA -1.474 56.490 58.000 -0.060 0.000 0.986 83 F CB 1.255 40.185 39.000 -0.117 0.000 1.218 83 F HN -0.044 nan 8.300 nan 0.000 0.484 84 G N 5.016 113.496 108.800 -0.534 0.000 2.320 84 G HA2 0.508 4.468 3.960 -0.000 0.000 0.300 84 G HA3 0.508 4.468 3.960 -0.000 0.000 0.300 84 G C -1.012 173.613 174.900 -0.458 0.000 1.126 84 G CA -0.558 44.296 45.100 -0.409 0.000 0.896 84 G HN 0.628 nan 8.290 nan 0.000 0.436 85 L N 3.663 124.814 121.223 -0.120 0.000 2.387 85 L HA 0.364 4.704 4.340 -0.000 0.000 0.266 85 L C -0.758 176.139 176.870 0.044 0.000 1.059 85 L CA -1.887 52.972 54.840 0.032 0.000 0.801 85 L CB 2.002 44.105 42.059 0.073 0.000 1.223 85 L HN 0.388 nan 8.230 nan 0.000 0.456 86 P HA -0.086 nan 4.420 nan 0.000 0.222 86 P C -0.339 176.989 177.300 0.048 0.000 1.147 86 P CA 1.105 64.248 63.100 0.071 0.000 0.790 86 P CB 0.192 31.939 31.700 0.079 0.000 0.780 87 D N -1.519 118.915 120.400 0.057 0.000 2.333 87 D HA 0.082 4.722 4.640 -0.000 0.000 0.225 87 D C -0.761 175.579 176.300 0.067 0.000 1.345 87 D CA -0.258 53.772 54.000 0.049 0.000 0.971 87 D CB 0.048 40.875 40.800 0.045 0.000 1.451 87 D HN -0.361 nan 8.370 nan 0.000 0.561 88 T N 1.843 116.437 114.554 0.066 0.000 3.820 88 T HA 0.266 4.616 4.350 -0.000 0.000 0.224 88 T C 0.699 175.463 174.700 0.106 0.000 0.869 88 T CA 0.336 62.504 62.100 0.114 0.000 0.932 88 T CB -0.374 68.548 68.868 0.091 0.000 1.259 88 T HN 0.387 nan 8.240 nan 0.000 0.676 89 S N -0.309 115.454 115.700 0.104 0.000 3.041 89 S HA 0.241 4.711 4.470 -0.000 0.000 0.250 89 S C 0.900 175.553 174.600 0.089 0.000 0.898 89 S CA -0.522 57.720 58.200 0.069 0.000 1.100 89 S CB -0.141 63.078 63.200 0.033 0.000 1.149 89 S HN 0.262 nan 8.310 nan 0.000 0.540 90 I N 1.300 121.961 120.570 0.151 0.000 3.035 90 I HA 0.283 4.453 4.170 -0.000 0.000 0.271 90 I C 0.853 177.078 176.117 0.180 0.000 1.190 90 I CA 0.415 61.782 61.300 0.111 0.000 1.472 90 I CB -0.906 37.118 38.000 0.040 0.000 1.116 90 I HN 0.730 nan 8.210 nan 0.000 0.443 91 Y N -0.100 120.170 120.300 -0.051 0.000 2.677 91 Y HA 0.572 5.122 4.550 -0.000 0.000 0.334 91 Y C -0.558 175.306 175.900 -0.060 0.000 1.154 91 Y CA -1.711 56.350 58.100 -0.064 0.000 1.070 91 Y CB 1.118 39.520 38.460 -0.096 0.000 1.294 91 Y HN -0.023 nan 8.280 nan 0.000 0.475 92 N N 2.488 121.032 118.700 -0.260 0.000 2.558 92 N HA 0.381 5.121 4.740 -0.000 0.000 0.242 92 N C -2.372 172.802 175.510 -0.559 0.000 0.979 92 N CA -2.521 50.286 53.050 -0.404 0.000 0.931 92 N CB 1.633 40.011 38.487 -0.182 0.000 1.122 92 N HN 0.343 nan 8.380 nan 0.000 0.508 93 P HA -0.160 nan 4.420 nan 0.000 0.229 93 P C 0.055 177.186 177.300 -0.282 0.000 1.147 93 P CA 1.101 63.838 63.100 -0.606 0.000 0.766 93 P CB 0.366 31.780 31.700 -0.476 0.000 0.775 94 E N -1.117 118.946 120.200 -0.228 0.000 2.244 94 E HA -0.001 4.349 4.350 -0.000 0.000 0.196 94 E C 1.785 178.328 176.600 -0.096 0.000 0.939 94 E CA 1.509 57.831 56.400 -0.131 0.000 0.884 94 E CB -0.359 29.278 29.700 -0.105 0.000 0.850 94 E HN 0.383 nan 8.360 nan 0.000 0.481 95 T N -1.778 112.713 114.554 -0.105 0.000 2.985 95 T HA 0.125 4.475 4.350 -0.000 0.000 0.254 95 T C 0.807 175.477 174.700 -0.051 0.000 1.021 95 T CA -0.268 61.797 62.100 -0.059 0.000 0.957 95 T CB 0.398 69.244 68.868 -0.037 0.000 1.047 95 T HN 0.034 nan 8.240 nan 0.000 0.511 96 Q N -0.164 119.589 119.800 -0.078 0.000 2.587 96 Q HA 0.763 5.103 4.340 -0.000 0.000 0.293 96 Q C -1.084 174.890 176.000 -0.044 0.000 1.083 96 Q CA -1.415 54.372 55.803 -0.027 0.000 0.792 96 Q CB 1.865 30.639 28.738 0.060 0.000 1.484 96 Q HN -0.043 nan 8.270 nan 0.000 0.446 97 R N -0.128 120.263 120.500 -0.182 0.000 2.869 97 R HA 0.634 4.974 4.340 -0.000 0.000 0.263 97 R C -1.105 174.929 176.300 -0.445 0.000 1.066 97 R CA -0.915 54.919 56.100 -0.444 0.000 0.960 97 R CB 1.541 31.053 30.300 -1.312 0.000 1.221 97 R HN 0.606 nan 8.270 nan 0.000 0.474 98 L N 1.233 122.122 121.223 -0.557 0.000 2.346 98 L HA 0.654 4.994 4.340 -0.000 0.000 0.276 98 L C -0.653 175.996 176.870 -0.368 0.000 1.006 98 L CA -1.011 53.515 54.840 -0.523 0.000 0.817 98 L CB 2.126 43.757 42.059 -0.714 0.000 1.272 98 L HN 0.214 nan 8.230 nan 0.000 0.421 99 V N -0.073 119.645 119.914 -0.326 0.000 2.962 99 V HA 0.402 4.522 4.120 -0.000 0.000 0.313 99 V C -1.197 174.736 176.094 -0.270 0.000 1.099 99 V CA -0.906 61.265 62.300 -0.215 0.000 0.971 99 V CB 2.138 33.899 31.823 -0.103 0.000 1.028 99 V HN 0.665 nan 8.190 nan 0.000 0.430 100 W N 1.707 122.898 121.300 -0.181 0.000 2.331 100 W HA 0.710 5.370 4.660 -0.000 0.000 0.306 100 W C 0.258 176.695 176.519 -0.137 0.000 1.162 100 W CA -0.364 56.870 57.345 -0.186 0.000 1.232 100 W CB 1.574 30.834 29.460 -0.333 0.000 1.235 100 W HN 0.770 nan 8.180 nan 0.000 0.479 101 A N 3.540 126.514 122.820 0.256 0.000 2.324 101 A HA 0.550 4.870 4.320 -0.000 0.000 0.330 101 A C -0.898 176.841 177.584 0.257 0.000 1.165 101 A CA -0.584 51.519 52.037 0.111 0.000 0.813 101 A CB 0.901 19.910 19.000 0.016 0.000 1.197 101 A HN 0.733 nan 8.150 nan 0.000 0.484 102 C N 1.797 121.175 119.300 0.131 0.000 2.463 102 C HA 0.666 5.126 4.460 -0.000 0.000 0.380 102 C C 1.237 176.209 174.990 -0.031 0.000 1.264 102 C CA 0.593 59.663 59.018 0.087 0.000 2.161 102 C CB 0.387 28.139 27.740 0.019 0.000 2.515 102 C HN 1.096 nan 8.230 nan 0.000 0.565 103 A N 3.397 126.176 122.820 -0.068 0.000 2.530 103 A HA 0.668 4.988 4.320 -0.000 0.000 0.214 103 A C 0.511 178.182 177.584 0.146 0.000 1.352 103 A CA 0.628 52.712 52.037 0.079 0.000 1.035 103 A CB -0.046 19.076 19.000 0.203 0.000 1.296 103 A HN 1.489 nan 8.150 nan 0.000 0.563 104 G N -1.014 107.764 108.800 -0.037 0.000 2.703 104 G HA2 0.546 4.506 3.960 -0.000 0.000 0.294 104 G HA3 0.546 4.506 3.960 -0.000 0.000 0.294 104 G C -1.750 172.953 174.900 -0.330 0.000 1.451 104 G CA -0.213 44.856 45.100 -0.053 0.000 0.869 104 G HN 0.612 nan 8.290 nan 0.000 0.516 105 V N -0.049 119.598 119.914 -0.446 0.000 3.049 105 V HA 0.803 4.923 4.120 -0.000 0.000 0.309 105 V C -0.797 175.040 176.094 -0.428 0.000 1.148 105 V CA -0.803 61.194 62.300 -0.505 0.000 0.990 105 V CB 2.235 33.809 31.823 -0.416 0.000 1.039 105 V HN 0.999 nan 8.190 nan 0.000 0.430 106 E N 2.649 122.564 120.200 -0.475 0.000 2.378 106 E HA 0.467 4.817 4.350 -0.000 0.000 0.282 106 E C -1.907 174.519 176.600 -0.289 0.000 0.910 106 E CA -0.611 55.602 56.400 -0.312 0.000 0.816 106 E CB 1.401 30.887 29.700 -0.356 0.000 1.359 106 E HN 0.586 nan 8.360 nan 0.000 0.397 107 I N 3.802 124.303 120.570 -0.116 0.000 2.322 107 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 107 I C 0.836 176.860 176.117 -0.156 0.000 1.060 107 I CA 0.297 61.485 61.300 -0.188 0.000 1.309 107 I CB 1.358 39.239 38.000 -0.198 0.000 1.415 107 I HN 0.548 nan 8.210 nan 0.000 0.492 108 G N 6.657 115.338 108.800 -0.198 0.000 2.395 108 G HA2 0.561 4.521 3.960 -0.000 0.000 0.283 108 G HA3 0.561 4.521 3.960 -0.000 0.000 0.283 108 G C -0.281 174.493 174.900 -0.210 0.000 1.178 108 G CA -0.628 44.376 45.100 -0.161 0.000 0.837 108 G HN 0.366 nan 8.290 nan 0.000 0.518 109 R N 0.996 121.396 120.500 -0.166 0.000 2.599 109 R HA 0.425 4.765 4.340 -0.000 0.000 0.295 109 R C 0.926 177.127 176.300 -0.165 0.000 0.963 109 R CA -0.338 55.615 56.100 -0.244 0.000 0.883 109 R CB 1.891 32.067 30.300 -0.206 0.000 1.171 109 R HN 0.616 nan 8.270 nan 0.000 0.450 110 G N 1.830 110.517 108.800 -0.189 0.000 2.624 110 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.216 110 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.216 110 G C 0.251 175.105 174.900 -0.076 0.000 1.274 110 G CA 0.191 45.223 45.100 -0.114 0.000 0.856 110 G HN 0.348 nan 8.290 nan 0.000 0.555 111 Q N 1.056 120.812 119.800 -0.074 0.000 2.526 111 Q HA 0.234 4.574 4.340 -0.000 0.000 0.207 111 Q C -2.000 173.988 176.000 -0.020 0.000 1.078 111 Q CA -1.306 54.475 55.803 -0.037 0.000 1.041 111 Q CB -0.157 28.564 28.738 -0.029 0.000 1.228 111 Q HN 0.241 nan 8.270 nan 0.000 0.603 112 P HA 0.089 nan 4.420 nan 0.000 0.272 112 P C -0.429 176.880 177.300 0.016 0.000 1.240 112 P CA -0.398 62.704 63.100 0.005 0.000 0.791 112 P CB 0.489 32.194 31.700 0.008 0.000 0.978 113 L N 0.486 121.721 121.223 0.019 0.000 2.452 113 L HA 0.583 4.923 4.340 -0.000 0.000 0.267 113 L C 1.220 178.110 176.870 0.033 0.000 1.188 113 L CA 1.162 56.020 54.840 0.029 0.000 0.821 113 L CB -0.125 41.951 42.059 0.027 0.000 1.102 113 L HN 0.775 nan 8.230 nan 0.000 0.470 114 G N 0.969 109.794 108.800 0.042 0.000 2.523 114 G HA2 0.565 4.525 3.960 -0.000 0.000 0.291 114 G HA3 0.565 4.525 3.960 -0.000 0.000 0.291 114 G C -1.689 173.242 174.900 0.052 0.000 1.450 114 G CA -0.091 45.037 45.100 0.046 0.000 0.790 114 G HN 0.664 nan 8.290 nan 0.000 0.496 115 V N -1.751 118.195 119.914 0.053 0.000 2.815 115 V HA 1.066 5.186 4.120 -0.000 0.000 0.314 115 V C 0.306 176.436 176.094 0.059 0.000 1.064 115 V CA -0.139 62.200 62.300 0.064 0.000 0.952 115 V CB 1.519 33.382 31.823 0.066 0.000 1.020 115 V HN 1.990 nan 8.190 nan 0.000 0.439 116 G N 2.282 111.128 108.800 0.076 0.000 2.718 116 G HA2 0.623 4.583 3.960 -0.000 0.000 0.295 116 G HA3 0.623 4.583 3.960 -0.000 0.000 0.295 116 G C -1.498 173.431 174.900 0.049 0.000 1.421 116 G CA -1.042 44.094 45.100 0.061 0.000 0.902 116 G HN 0.882 nan 8.290 nan 0.000 0.501 117 L N 0.586 121.819 121.223 0.017 0.000 2.399 117 L HA 0.699 5.039 4.340 -0.000 0.000 0.265 117 L C 0.270 177.080 176.870 -0.100 0.000 1.089 117 L CA -0.703 54.097 54.840 -0.067 0.000 0.802 117 L CB 1.816 43.847 42.059 -0.046 0.000 1.180 117 L HN 0.458 nan 8.230 nan 0.000 0.454 118 S N -0.217 115.282 115.700 -0.335 0.000 2.542 118 S HA 0.874 5.344 4.470 -0.000 0.000 0.293 118 S C -0.136 174.209 174.600 -0.426 0.000 1.089 118 S CA -0.606 57.303 58.200 -0.485 0.000 0.961 118 S CB 2.212 64.987 63.200 -0.708 0.000 1.062 118 S HN 0.872 nan 8.310 nan 0.000 0.483 119 G N 0.562 109.081 108.800 -0.470 0.000 2.721 119 G HA2 0.618 4.578 3.960 -0.000 0.000 0.296 119 G HA3 0.618 4.578 3.960 -0.000 0.000 0.296 119 G C -2.117 172.677 174.900 -0.177 0.000 1.383 119 G CA -0.412 44.534 45.100 -0.256 0.000 0.788 119 G HN 0.625 nan 8.290 nan 0.000 0.500 120 H N -0.045 118.941 119.070 -0.139 0.000 2.856 120 H HA 0.395 4.951 4.556 -0.000 0.000 0.355 120 H C -2.064 173.168 175.328 -0.160 0.000 1.079 120 H CA -1.514 54.478 56.048 -0.094 0.000 1.240 120 H CB 3.103 32.888 29.762 0.038 0.000 1.701 120 H HN 0.130 nan 8.280 nan 0.000 0.527 121 P HA -0.059 nan 4.420 nan 0.000 0.216 121 P C -0.032 176.964 177.300 -0.507 0.000 1.150 121 P CA 1.331 64.126 63.100 -0.508 0.000 0.837 121 P CB 0.103 31.232 31.700 -0.953 0.000 0.786 122 F N -3.048 117.222 119.950 0.534 0.000 2.739 122 F HA 0.275 4.802 4.527 -0.000 0.000 0.345 122 F C 0.297 176.046 175.800 -0.085 0.000 1.373 122 F CA -1.301 56.800 58.000 0.169 0.000 1.160 122 F CB -0.607 38.449 39.000 0.093 0.000 1.137 122 F HN -0.223 nan 8.300 nan 0.000 0.524 123 Y N 2.417 122.668 120.300 -0.082 0.000 2.895 123 Y HA -0.131 4.419 4.550 -0.000 0.000 0.334 123 Y C 0.931 176.714 175.900 -0.196 0.000 1.261 123 Y CA -0.020 57.940 58.100 -0.233 0.000 1.560 123 Y CB 0.265 38.606 38.460 -0.199 0.000 1.253 123 Y HN 0.313 nan 8.280 nan 0.000 0.582 124 N N 6.356 124.765 118.700 -0.486 0.000 2.549 124 N HA 0.044 4.784 4.740 -0.000 0.000 0.267 124 N C -1.275 174.119 175.510 -0.192 0.000 1.182 124 N CA 0.037 52.915 53.050 -0.285 0.000 1.019 124 N CB -0.197 38.128 38.487 -0.270 0.000 1.380 124 N HN 0.576 nan 8.380 nan 0.000 0.505 125 K N 4.053 124.406 120.400 -0.078 0.000 2.535 125 K HA 0.139 4.459 4.320 -0.000 0.000 0.253 125 K C 0.292 176.829 176.600 -0.104 0.000 0.953 125 K CA -0.669 55.544 56.287 -0.125 0.000 0.863 125 K CB 1.051 33.309 32.500 -0.404 0.000 1.111 125 K HN 0.255 nan 8.250 nan 0.000 0.431 126 L N 3.663 124.872 121.223 -0.023 0.000 1.925 126 L HA -0.008 4.332 4.340 -0.000 0.000 0.214 126 L C -0.143 176.742 176.870 0.026 0.000 1.091 126 L CA 2.073 56.917 54.840 0.006 0.000 0.768 126 L CB -0.101 41.978 42.059 0.032 0.000 0.887 126 L HN 0.871 nan 8.230 nan 0.000 0.433 127 D N -3.018 117.445 120.400 0.106 0.000 2.615 127 D HA 0.233 4.873 4.640 -0.000 0.000 0.267 127 D C -1.508 174.993 176.300 0.334 0.000 1.236 127 D CA -0.671 53.422 54.000 0.156 0.000 0.839 127 D CB 0.160 41.036 40.800 0.126 0.000 1.380 127 D HN 0.040 nan 8.370 nan 0.000 0.433 128 D N -0.785 119.826 120.400 0.352 0.000 2.358 128 D HA 0.267 4.907 4.640 -0.000 0.000 0.258 128 D C 0.590 177.071 176.300 0.301 0.000 1.223 128 D CA 0.058 54.315 54.000 0.429 0.000 0.886 128 D CB 0.652 41.639 40.800 0.310 0.000 1.120 128 D HN 0.417 nan 8.370 nan 0.000 0.482 129 T N 0.040 114.790 114.554 0.326 0.000 3.176 129 T HA 0.104 4.454 4.350 -0.000 0.000 0.263 129 T C 1.082 175.916 174.700 0.223 0.000 1.021 129 T CA -0.412 61.852 62.100 0.273 0.000 0.905 129 T CB 0.137 69.221 68.868 0.360 0.000 1.057 129 T HN 0.519 nan 8.240 nan 0.000 0.558 130 E N 1.917 122.212 120.200 0.158 0.000 2.140 130 E HA -0.002 4.348 4.350 -0.000 0.000 0.191 130 E C 0.637 177.237 176.600 0.001 0.000 0.973 130 E CA 0.936 57.365 56.400 0.049 0.000 0.829 130 E CB 0.350 29.802 29.700 -0.414 0.000 0.781 130 E HN 0.579 nan 8.360 nan 0.000 0.466 131 S N 0.287 115.993 115.700 0.010 0.000 2.514 131 S HA 0.046 4.516 4.470 -0.000 0.000 0.193 131 S C -0.440 174.174 174.600 0.023 0.000 0.790 131 S CA -0.207 57.993 58.200 -0.001 0.000 0.958 131 S CB -0.710 62.458 63.200 -0.053 0.000 1.696 131 S HN 0.212 nan 8.310 nan 0.000 0.514 132 S N 1.523 117.268 115.700 0.074 0.000 2.702 132 S HA -0.015 4.455 4.470 -0.000 0.000 0.314 132 S C 1.198 175.859 174.600 0.102 0.000 1.244 132 S CA 0.019 58.283 58.200 0.107 0.000 1.058 132 S CB -0.078 63.196 63.200 0.123 0.000 0.783 132 S HN 0.532 nan 8.310 nan 0.000 0.503 133 H N 3.075 122.170 119.070 0.042 0.000 2.330 133 H HA -0.211 4.345 4.556 -0.000 0.000 0.290 133 H C 1.186 176.533 175.328 0.031 0.000 1.111 133 H CA 2.231 58.298 56.048 0.031 0.000 1.226 133 H CB -0.251 29.529 29.762 0.029 0.000 1.355 133 H HN 0.903 nan 8.280 nan 0.000 0.485 134 A N -1.025 121.902 122.820 0.177 0.000 4.729 134 A HA 0.643 4.963 4.320 -0.000 0.000 0.170 134 A C -0.074 177.564 177.584 0.090 0.000 0.741 134 A CA 0.164 52.270 52.037 0.115 0.000 0.936 134 A CB -0.370 18.691 19.000 0.101 0.000 1.982 134 A HN 0.411 nan 8.150 nan 0.000 0.938 135 A N -0.550 122.312 122.820 0.070 0.000 2.307 135 A HA 0.560 4.880 4.320 -0.000 0.000 0.271 135 A C 0.744 178.366 177.584 0.064 0.000 1.188 135 A CA 1.099 53.172 52.037 0.059 0.000 0.810 135 A CB -0.665 18.360 19.000 0.043 0.000 1.123 135 A HN 2.065 nan 8.150 nan 0.000 0.509 136 T N -2.721 111.866 114.554 0.055 0.000 2.864 136 T HA 0.616 4.966 4.350 -0.000 0.000 0.289 136 T C 0.273 174.996 174.700 0.037 0.000 1.082 136 T CA 0.002 62.135 62.100 0.055 0.000 1.009 136 T CB 0.498 69.409 68.868 0.071 0.000 1.234 136 T HN 1.642 nan 8.240 nan 0.000 0.526 137 S N 0.978 116.698 115.700 0.033 0.000 2.564 137 S HA 0.030 4.500 4.470 -0.000 0.000 0.263 137 S C 0.266 174.875 174.600 0.015 0.000 1.378 137 S CA -0.380 57.832 58.200 0.021 0.000 0.996 137 S CB -0.592 62.618 63.200 0.017 0.000 0.881 137 S HN 0.957 nan 8.310 nan 0.000 0.555 138 N N -0.658 118.047 118.700 0.008 0.000 2.514 138 N HA 0.211 4.951 4.740 -0.000 0.000 0.277 138 N C 0.125 175.633 175.510 -0.003 0.000 1.126 138 N CA -0.508 52.544 53.050 0.003 0.000 0.978 138 N CB 0.734 39.222 38.487 0.001 0.000 1.106 138 N HN 0.484 nan 8.380 nan 0.000 0.461 139 V N 2.534 122.444 119.914 -0.006 0.000 3.387 139 V HA -0.043 4.077 4.120 -0.000 0.000 0.353 139 V C 1.836 177.920 176.094 -0.017 0.000 1.193 139 V CA 0.543 62.835 62.300 -0.014 0.000 1.379 139 V CB -1.909 29.903 31.823 -0.018 0.000 1.157 139 V HN 0.777 nan 8.190 nan 0.000 0.431 140 S N 0.341 116.033 115.700 -0.014 0.000 2.398 140 S HA -0.182 4.288 4.470 -0.000 0.000 0.220 140 S C 0.736 175.323 174.600 -0.023 0.000 1.038 140 S CA 1.484 59.674 58.200 -0.016 0.000 1.080 140 S CB 0.046 63.238 63.200 -0.013 0.000 1.039 140 S HN 0.810 nan 8.310 nan 0.000 0.419 141 E N -0.677 119.507 120.200 -0.026 0.000 2.500 141 E HA 0.121 4.471 4.350 -0.000 0.000 0.288 141 E C -2.009 174.568 176.600 -0.038 0.000 1.147 141 E CA -0.322 56.057 56.400 -0.035 0.000 0.916 141 E CB 0.394 30.072 29.700 -0.036 0.000 1.181 141 E HN 0.196 nan 8.360 nan 0.000 0.433 142 D N 2.264 122.634 120.400 -0.050 0.000 3.359 142 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 142 D C -0.190 176.091 176.300 -0.032 0.000 1.160 142 D CA 1.298 55.264 54.000 -0.057 0.000 1.008 142 D CB -0.357 40.399 40.800 -0.073 0.000 0.809 142 D HN 0.237 nan 8.370 nan 0.000 0.387 143 V N 3.809 123.707 119.914 -0.025 0.000 3.166 143 V HA 0.118 4.238 4.120 -0.000 0.000 0.332 143 V C 1.090 177.182 176.094 -0.003 0.000 1.434 143 V CA -0.326 61.967 62.300 -0.012 0.000 1.121 143 V CB 0.095 31.909 31.823 -0.016 0.000 1.062 143 V HN 0.295 nan 8.190 nan 0.000 0.489 144 R N 1.654 122.164 120.500 0.016 0.000 2.491 144 R HA 0.348 4.688 4.340 -0.000 0.000 0.283 144 R C -0.733 175.630 176.300 0.105 0.000 1.072 144 R CA 0.114 56.248 56.100 0.056 0.000 1.048 144 R CB 0.542 30.904 30.300 0.103 0.000 0.983 144 R HN 0.290 nan 8.270 nan 0.000 0.450 145 D N 0.873 121.304 120.400 0.052 0.000 2.340 145 D HA 0.085 4.725 4.640 -0.000 0.000 0.243 145 D C -0.546 175.749 176.300 -0.008 0.000 0.988 145 D CA -0.636 53.368 54.000 0.008 0.000 0.959 145 D CB 1.177 41.931 40.800 -0.076 0.000 1.226 145 D HN 0.345 nan 8.370 nan 0.000 0.509 146 N N 1.179 119.846 118.700 -0.054 0.000 2.406 146 N HA 0.243 4.983 4.740 -0.000 0.000 0.251 146 N C -0.918 174.516 175.510 -0.126 0.000 1.069 146 N CA -0.223 52.772 53.050 -0.091 0.000 0.947 146 N CB 0.540 38.961 38.487 -0.109 0.000 1.111 146 N HN 0.266 nan 8.380 nan 0.000 0.497 147 V N 0.951 120.766 119.914 -0.163 0.000 3.040 147 V HA 0.870 4.990 4.120 -0.000 0.000 0.312 147 V C -0.140 175.817 176.094 -0.228 0.000 1.115 147 V CA -0.789 61.357 62.300 -0.256 0.000 0.998 147 V CB 1.438 32.956 31.823 -0.510 0.000 1.042 147 V HN 0.694 nan 8.190 nan 0.000 0.433 148 S N 1.237 116.822 115.700 -0.192 0.000 2.811 148 S HA 0.968 5.438 4.470 -0.000 0.000 0.311 148 S C -0.752 173.764 174.600 -0.141 0.000 1.152 148 S CA -0.338 57.759 58.200 -0.171 0.000 0.864 148 S CB 1.695 64.817 63.200 -0.132 0.000 1.226 148 S HN 2.393 nan 8.310 nan 0.000 0.541 149 V N 1.383 121.199 119.914 -0.163 0.000 2.915 149 V HA 0.338 4.458 4.120 -0.000 0.000 0.273 149 V C -2.242 173.712 176.094 -0.233 0.000 1.538 149 V CA -0.617 61.608 62.300 -0.126 0.000 0.946 149 V CB 1.946 33.761 31.823 -0.013 0.000 1.183 149 V HN 1.210 nan 8.190 nan 0.000 0.446 150 D N 5.956 126.275 120.400 -0.136 0.000 2.277 150 D HA 0.261 4.901 4.640 -0.000 0.000 0.249 150 D C -0.075 176.192 176.300 -0.055 0.000 1.134 150 D CA -0.032 53.902 54.000 -0.110 0.000 0.863 150 D CB 0.801 41.596 40.800 -0.010 0.000 1.143 150 D HN 0.579 nan 8.370 nan 0.000 0.458 151 Y N 0.519 120.760 120.300 -0.097 0.000 2.220 151 Y HA 0.005 4.555 4.550 -0.000 0.000 0.347 151 Y C 1.677 177.574 175.900 -0.004 0.000 1.311 151 Y CA -0.906 57.098 58.100 -0.160 0.000 1.593 151 Y CB 0.755 38.849 38.460 -0.610 0.000 1.419 151 Y HN 0.284 nan 8.280 nan 0.000 0.614 152 K N 1.774 122.284 120.400 0.184 0.000 2.469 152 K HA -0.073 4.247 4.320 -0.000 0.000 0.274 152 K C -0.536 176.214 176.600 0.250 0.000 0.983 152 K CA -0.273 56.098 56.287 0.140 0.000 0.974 152 K CB 0.471 33.019 32.500 0.080 0.000 0.913 152 K HN 0.656 nan 8.250 nan 0.000 0.493 153 Q N 2.824 122.739 119.800 0.190 0.000 2.278 153 Q HA 0.228 4.568 4.340 -0.000 0.000 0.257 153 Q C -1.421 174.672 176.000 0.155 0.000 0.928 153 Q CA -0.420 55.498 55.803 0.193 0.000 0.932 153 Q CB 1.483 30.307 28.738 0.143 0.000 1.221 153 Q HN 0.657 nan 8.270 nan 0.000 0.434 154 T N 3.806 118.453 114.554 0.154 0.000 2.912 154 T HA 0.434 4.784 4.350 -0.000 0.000 0.299 154 T C -1.182 173.576 174.700 0.096 0.000 1.052 154 T CA -0.712 61.465 62.100 0.129 0.000 0.996 154 T CB 1.771 70.735 68.868 0.161 0.000 1.070 154 T HN 0.625 nan 8.240 nan 0.000 0.465 155 Q N 1.734 121.574 119.800 0.067 0.000 2.289 155 Q HA 0.717 5.057 4.340 -0.000 0.000 0.270 155 Q C -1.480 174.554 176.000 0.058 0.000 1.038 155 Q CA -0.960 54.874 55.803 0.053 0.000 0.812 155 Q CB 2.584 31.245 28.738 -0.129 0.000 1.300 155 Q HN 0.666 nan 8.270 nan 0.000 0.427 156 L N -1.043 120.285 121.223 0.176 0.000 2.540 156 L HA 0.985 5.325 4.340 -0.000 0.000 0.256 156 L C -1.586 175.456 176.870 0.286 0.000 1.001 156 L CA -0.766 54.175 54.840 0.168 0.000 0.843 156 L CB 2.240 44.405 42.059 0.177 0.000 1.436 156 L HN 0.731 nan 8.230 nan 0.000 0.410 157 C N 2.440 121.871 119.300 0.218 0.000 2.811 157 C HA 0.836 5.296 4.460 -0.000 0.000 0.352 157 C C -1.282 173.821 174.990 0.189 0.000 1.098 157 C CA -0.335 58.842 59.018 0.266 0.000 1.295 157 C CB 0.461 28.431 27.740 0.382 0.000 1.758 157 C HN 0.863 nan 8.230 nan 0.000 0.488 158 I N 5.936 126.630 120.570 0.206 0.000 2.533 158 I HA 0.508 4.678 4.170 -0.000 0.000 0.290 158 I C -0.705 175.536 176.117 0.205 0.000 1.056 158 I CA -0.618 60.787 61.300 0.176 0.000 1.057 158 I CB 1.786 39.838 38.000 0.085 0.000 1.240 158 I HN 0.488 nan 8.210 nan 0.000 0.423 159 L N 4.562 125.941 121.223 0.259 0.000 2.342 159 L HA 0.941 5.281 4.340 -0.000 0.000 0.271 159 L C 0.206 176.912 176.870 -0.273 0.000 1.008 159 L CA -0.458 54.485 54.840 0.171 0.000 0.818 159 L CB 2.048 44.346 42.059 0.399 0.000 1.296 159 L HN 0.834 nan 8.230 nan 0.000 0.427 160 G N -0.334 108.230 108.800 -0.393 0.000 2.495 160 G HA2 0.330 4.290 3.960 -0.000 0.000 0.294 160 G HA3 0.330 4.290 3.960 -0.000 0.000 0.294 160 G C -0.594 174.169 174.900 -0.228 0.000 1.397 160 G CA -0.194 44.333 45.100 -0.956 0.000 0.790 160 G HN 0.745 nan 8.290 nan 0.000 0.486 161 C N -0.834 118.422 119.300 -0.073 0.000 2.668 161 C HA 0.816 5.276 4.460 -0.000 0.000 0.301 161 C C 0.771 175.890 174.990 0.215 0.000 1.351 161 C CA -0.085 59.093 59.018 0.266 0.000 1.757 161 C CB -1.467 26.510 27.740 0.394 0.000 2.179 161 C HN 1.618 nan 8.230 nan 0.000 0.586 162 A N 1.214 123.971 122.820 -0.105 0.000 2.574 162 A HA 0.879 5.199 4.320 -0.000 0.000 0.297 162 A C -3.025 173.972 177.584 -0.979 0.000 1.062 162 A CA -1.048 50.701 52.037 -0.480 0.000 0.686 162 A CB 1.098 19.989 19.000 -0.182 0.000 1.285 162 A HN 0.177 nan 8.150 nan 0.000 0.403 163 P HA 0.374 nan 4.420 nan 0.000 0.270 163 P C 0.120 177.113 177.300 -0.511 0.000 1.223 163 P CA 0.246 62.653 63.100 -1.155 0.000 0.785 163 P CB 0.834 31.924 31.700 -1.016 0.000 0.923 164 A N 2.164 124.789 122.820 -0.324 0.000 2.313 164 A HA 0.449 4.769 4.320 -0.000 0.000 0.261 164 A C 0.072 177.525 177.584 -0.219 0.000 1.090 164 A CA -0.293 51.603 52.037 -0.234 0.000 0.807 164 A CB -0.303 18.584 19.000 -0.188 0.000 1.055 164 A HN 0.433 nan 8.150 nan 0.000 0.492 165 I N 0.358 120.806 120.570 -0.204 0.000 2.392 165 I HA 0.537 4.707 4.170 -0.000 0.000 0.295 165 I C 0.895 176.885 176.117 -0.212 0.000 0.985 165 I CA 0.520 61.711 61.300 -0.182 0.000 1.221 165 I CB 1.790 39.707 38.000 -0.138 0.000 1.366 165 I HN 0.708 nan 8.210 nan 0.000 0.467 166 G N 3.929 112.618 108.800 -0.185 0.000 2.597 166 G HA2 0.763 4.723 3.960 -0.000 0.000 0.317 166 G HA3 0.763 4.723 3.960 -0.000 0.000 0.317 166 G C -1.329 173.534 174.900 -0.061 0.000 1.230 166 G CA -0.434 44.573 45.100 -0.155 0.000 0.996 166 G HN 0.635 nan 8.290 nan 0.000 0.490 167 E N -0.804 119.400 120.200 0.008 0.000 2.314 167 E HA 0.612 4.962 4.350 -0.000 0.000 0.272 167 E C -1.310 175.347 176.600 0.094 0.000 0.884 167 E CA -0.969 55.421 56.400 -0.016 0.000 0.753 167 E CB 2.217 31.885 29.700 -0.054 0.000 1.213 167 E HN 0.781 nan 8.360 nan 0.000 0.432 168 H N 0.591 119.557 119.070 -0.173 0.000 2.948 168 H HA 0.347 4.903 4.556 -0.000 0.000 0.315 168 H C -1.837 173.286 175.328 -0.341 0.000 1.360 168 H CA -1.185 54.776 56.048 -0.145 0.000 1.125 168 H CB 0.410 30.165 29.762 -0.012 0.000 1.844 168 H HN 0.616 nan 8.280 nan 0.000 0.529 169 W N 0.823 122.064 121.300 -0.097 0.000 2.433 169 W HA 0.725 5.385 4.660 -0.000 0.000 0.315 169 W C -0.166 176.282 176.519 -0.119 0.000 1.087 169 W CA -0.189 57.061 57.345 -0.158 0.000 1.205 169 W CB 1.890 31.300 29.460 -0.083 0.000 1.288 169 W HN 0.850 nan 8.180 nan 0.000 0.504 170 A N 2.775 125.601 122.820 0.009 0.000 2.485 170 A HA 0.625 4.945 4.320 -0.000 0.000 0.292 170 A C -1.039 176.578 177.584 0.054 0.000 1.147 170 A CA -1.145 50.912 52.037 0.033 0.000 0.750 170 A CB 1.507 20.486 19.000 -0.035 0.000 1.331 170 A HN 0.535 nan 8.150 nan 0.000 0.419 171 K N 1.315 121.742 120.400 0.046 0.000 2.363 171 K HA 0.320 4.640 4.320 -0.000 0.000 0.289 171 K C 0.597 177.212 176.600 0.024 0.000 1.063 171 K CA 0.229 56.538 56.287 0.035 0.000 0.967 171 K CB -0.060 32.456 32.500 0.027 0.000 0.987 171 K HN 0.909 nan 8.250 nan 0.000 0.473 172 G N 3.074 111.891 108.800 0.029 0.000 2.464 172 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.231 172 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.231 172 G C -0.387 174.519 174.900 0.011 0.000 1.267 172 G CA -0.385 44.726 45.100 0.019 0.000 0.863 172 G HN 0.689 nan 8.290 nan 0.000 0.559 173 T N 1.469 116.025 114.554 0.004 0.000 2.751 173 T HA 0.422 4.772 4.350 -0.000 0.000 0.290 173 T C 0.932 175.634 174.700 0.003 0.000 0.919 173 T CA 0.242 62.343 62.100 0.002 0.000 1.136 173 T CB 0.787 69.653 68.868 -0.004 0.000 0.875 173 T HN 0.962 nan 8.240 nan 0.000 0.532 174 A N 4.546 127.368 122.820 0.004 0.000 2.583 174 A HA 0.310 4.630 4.320 -0.000 0.000 0.249 174 A C 1.033 178.618 177.584 0.002 0.000 1.035 174 A CA -0.400 51.639 52.037 0.003 0.000 0.777 174 A CB -0.326 18.675 19.000 0.002 0.000 0.942 174 A HN 0.956 nan 8.150 nan 0.000 0.516 175 S N 2.377 118.078 115.700 0.002 0.000 2.565 175 S HA 0.298 4.768 4.470 -0.000 0.000 0.276 175 S C 0.992 175.592 174.600 -0.000 0.000 1.326 175 S CA -0.124 58.076 58.200 0.001 0.000 1.045 175 S CB 1.279 64.479 63.200 0.001 0.000 0.918 175 S HN 0.803 nan 8.310 nan 0.000 0.505 176 K N 1.676 122.076 120.400 -0.001 0.000 2.057 176 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 176 K C 2.125 178.724 176.600 -0.001 0.000 1.050 176 K CA 1.494 57.780 56.287 -0.001 0.000 0.935 176 K CB -0.759 31.740 32.500 -0.002 0.000 0.715 176 K HN 0.687 nan 8.250 nan 0.000 0.439 177 S N 0.648 116.348 115.700 -0.001 0.000 2.359 177 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 177 S C 1.424 176.023 174.600 -0.001 0.000 1.035 177 S CA 0.582 58.781 58.200 -0.001 0.000 1.018 177 S CB -0.189 63.011 63.200 -0.001 0.000 0.876 177 S HN 0.176 nan 8.310 nan 0.000 0.448 178 R N 2.695 123.195 120.500 -0.000 0.000 2.494 178 R HA 0.457 4.797 4.340 -0.000 0.000 0.284 178 R C -2.908 173.392 176.300 -0.000 0.000 1.525 178 R CA -2.617 53.483 56.100 -0.000 0.000 1.460 178 R CB 0.456 30.756 30.300 0.000 0.000 1.134 178 R HN 0.363 nan 8.270 nan 0.000 0.592 179 P HA -0.006 nan 4.420 nan 0.000 0.271 179 P C -0.592 176.707 177.300 -0.001 0.000 1.238 179 P CA -0.503 62.597 63.100 -0.001 0.000 0.794 179 P CB 0.987 32.686 31.700 -0.001 0.000 0.959 180 L N 1.174 122.396 121.223 -0.001 0.000 2.342 180 L HA 0.265 4.605 4.340 -0.000 0.000 0.276 180 L C 0.097 176.965 176.870 -0.003 0.000 0.997 180 L CA -0.368 54.471 54.840 -0.002 0.000 0.838 180 L CB 0.774 42.833 42.059 -0.001 0.000 1.224 180 L HN 0.446 nan 8.230 nan 0.000 0.416 181 S N 2.819 118.517 115.700 -0.003 0.000 2.549 181 S HA 0.217 4.687 4.470 -0.000 0.000 0.286 181 S C 0.125 174.722 174.600 -0.005 0.000 1.314 181 S CA -0.440 57.757 58.200 -0.004 0.000 1.062 181 S CB 0.616 63.814 63.200 -0.005 0.000 0.865 181 S HN 0.681 nan 8.310 nan 0.000 0.498 182 Q N 1.780 121.576 119.800 -0.006 0.000 2.330 182 Q HA 0.427 4.767 4.340 -0.000 0.000 0.279 182 Q C 1.305 177.300 176.000 -0.008 0.000 1.024 182 Q CA 1.622 57.421 55.803 -0.007 0.000 0.900 182 Q CB 0.065 28.799 28.738 -0.007 0.000 1.221 182 Q HN 1.325 nan 8.270 nan 0.000 0.396 183 G N 3.206 112.001 108.800 -0.009 0.000 2.339 183 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.209 183 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.209 183 G C -0.290 174.602 174.900 -0.012 0.000 1.015 183 G CA -0.078 45.015 45.100 -0.012 0.000 0.635 183 G HN 0.652 nan 8.290 nan 0.000 0.499 184 D N 0.350 120.744 120.400 -0.010 0.000 2.357 184 D HA 0.456 5.096 4.640 -0.000 0.000 0.242 184 D C 0.737 177.031 176.300 -0.010 0.000 1.153 184 D CA 0.143 54.137 54.000 -0.010 0.000 0.918 184 D CB 1.122 41.917 40.800 -0.007 0.000 1.181 184 D HN 0.449 nan 8.370 nan 0.000 0.435 185 C N 3.046 122.339 119.300 -0.012 0.000 2.514 185 C HA 0.394 4.854 4.460 -0.000 0.000 0.392 185 C C -1.913 173.071 174.990 -0.009 0.000 1.294 185 C CA -1.358 57.652 59.018 -0.014 0.000 1.957 185 C CB -0.657 27.071 27.740 -0.020 0.000 2.541 185 C HN 0.461 nan 8.230 nan 0.000 0.569 186 P HA 0.343 nan 4.420 nan 0.000 0.273 186 P C -2.750 174.552 177.300 0.004 0.000 1.250 186 P CA -0.976 62.125 63.100 0.001 0.000 0.793 186 P CB -0.065 31.638 31.700 0.005 0.000 1.011 187 P HA 0.236 nan 4.420 nan 0.000 0.290 187 P C -0.745 176.586 177.300 0.052 0.000 1.276 187 P CA -0.365 62.749 63.100 0.024 0.000 0.808 187 P CB 0.730 32.446 31.700 0.025 0.000 0.966 188 L N 2.171 123.441 121.223 0.078 0.000 2.395 188 L HA 0.425 4.765 4.340 -0.000 0.000 0.269 188 L C 0.862 177.896 176.870 0.274 0.000 1.133 188 L CA 0.102 55.052 54.840 0.183 0.000 0.812 188 L CB -0.242 41.914 42.059 0.161 0.000 1.125 188 L HN 0.561 nan 8.230 nan 0.000 0.452 189 E N 1.340 121.679 120.200 0.232 0.000 2.272 189 E HA 0.345 4.695 4.350 -0.000 0.000 0.269 189 E C -1.520 174.928 176.600 -0.254 0.000 0.877 189 E CA -0.938 55.490 56.400 0.047 0.000 0.755 189 E CB 2.496 32.180 29.700 -0.027 0.000 1.192 189 E HN 0.352 nan 8.360 nan 0.000 0.422 190 L N 4.057 124.957 121.223 -0.540 0.000 2.319 190 L HA 0.322 4.662 4.340 -0.000 0.000 0.280 190 L C -0.680 175.859 176.870 -0.550 0.000 1.099 190 L CA 0.383 54.656 54.840 -0.945 0.000 0.828 190 L CB 0.444 41.936 42.059 -0.946 0.000 1.150 190 L HN 0.379 nan 8.230 nan 0.000 0.442 191 K N 3.942 123.978 120.400 -0.606 0.000 2.323 191 K HA 0.381 4.701 4.320 -0.000 0.000 0.259 191 K C -0.894 175.531 176.600 -0.292 0.000 0.947 191 K CA -0.905 55.134 56.287 -0.413 0.000 0.819 191 K CB 1.282 33.497 32.500 -0.474 0.000 1.109 191 K HN 0.556 nan 8.250 nan 0.000 0.429 192 N N 1.277 119.876 118.700 -0.169 0.000 2.518 192 N HA 0.253 4.993 4.740 -0.000 0.000 0.283 192 N C -0.463 175.016 175.510 -0.052 0.000 1.119 192 N CA 0.237 53.226 53.050 -0.102 0.000 0.983 192 N CB 1.753 40.184 38.487 -0.094 0.000 1.139 192 N HN 0.576 nan 8.380 nan 0.000 0.465 193 T N -0.697 113.833 114.554 -0.041 0.000 2.840 193 T HA 0.327 4.677 4.350 -0.000 0.000 0.317 193 T C -1.193 173.460 174.700 -0.078 0.000 1.401 193 T CA -0.622 61.457 62.100 -0.034 0.000 1.028 193 T CB 0.651 69.528 68.868 0.016 0.000 1.317 193 T HN 0.015 nan 8.240 nan 0.000 0.495 194 V N 4.352 124.218 119.914 -0.080 0.000 2.555 194 V HA 0.323 4.443 4.120 -0.000 0.000 0.286 194 V C 0.540 176.551 176.094 -0.138 0.000 1.044 194 V CA -0.416 61.820 62.300 -0.107 0.000 1.026 194 V CB 0.745 32.523 31.823 -0.074 0.000 0.981 194 V HN 0.734 nan 8.190 nan 0.000 0.480 195 L N 6.286 127.397 121.223 -0.187 0.000 2.456 195 L HA 0.265 4.605 4.340 -0.000 0.000 0.277 195 L C 0.519 177.330 176.870 -0.099 0.000 1.124 195 L CA 0.343 55.024 54.840 -0.265 0.000 0.880 195 L CB 0.019 41.819 42.059 -0.432 0.000 1.192 195 L HN 0.707 nan 8.230 nan 0.000 0.463 196 E N 1.562 121.701 120.200 -0.103 0.000 2.232 196 E HA 0.232 4.582 4.350 -0.000 0.000 0.264 196 E C -1.022 175.596 176.600 0.031 0.000 0.973 196 E CA -0.999 55.382 56.400 -0.033 0.000 0.849 196 E CB 1.461 31.045 29.700 -0.193 0.000 1.198 196 E HN 0.409 nan 8.360 nan 0.000 0.407 197 D N -0.521 119.935 120.400 0.094 0.000 2.424 197 D HA 0.233 4.873 4.640 -0.000 0.000 0.244 197 D C 0.883 177.221 176.300 0.063 0.000 1.134 197 D CA 1.748 55.803 54.000 0.092 0.000 0.881 197 D CB 0.482 41.345 40.800 0.104 0.000 1.191 197 D HN 0.575 nan 8.370 nan 0.000 0.445 198 G N 3.174 112.036 108.800 0.104 0.000 2.241 198 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 198 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 198 G C 0.107 175.087 174.900 0.134 0.000 0.998 198 G CA 0.121 45.285 45.100 0.106 0.000 0.621 198 G HN 0.643 nan 8.290 nan 0.000 0.519 199 D N 1.534 122.018 120.400 0.140 0.000 2.423 199 D HA 0.389 5.029 4.640 -0.000 0.000 0.238 199 D C 1.243 177.745 176.300 0.336 0.000 1.142 199 D CA 0.358 54.458 54.000 0.168 0.000 0.884 199 D CB 0.402 41.231 40.800 0.048 0.000 1.199 199 D HN 0.106 nan 8.370 nan 0.000 0.438 200 M N 1.008 120.773 119.600 0.275 0.000 2.342 200 M HA 0.242 4.722 4.480 -0.000 0.000 0.332 200 M C 0.200 176.717 176.300 0.361 0.000 1.166 200 M CA -0.967 54.502 55.300 0.280 0.000 1.086 200 M CB 1.101 33.817 32.600 0.193 0.000 1.541 200 M HN 0.148 nan 8.290 nan 0.000 0.462 201 V N -1.114 118.941 119.914 0.235 0.000 2.973 201 V HA 0.445 4.565 4.120 -0.000 0.000 0.314 201 V C -0.082 176.132 176.094 0.200 0.000 1.066 201 V CA -1.170 61.250 62.300 0.201 0.000 1.021 201 V CB 1.081 32.898 31.823 -0.008 0.000 1.076 201 V HN 0.826 nan 8.190 nan 0.000 0.462 202 D N 1.874 122.424 120.400 0.250 0.000 2.502 202 D HA 0.033 4.673 4.640 -0.000 0.000 0.249 202 D C 1.319 177.650 176.300 0.052 0.000 1.188 202 D CA 1.050 55.154 54.000 0.172 0.000 0.890 202 D CB 1.023 41.916 40.800 0.154 0.000 1.140 202 D HN 0.994 nan 8.370 nan 0.000 0.505 203 T N 0.784 115.269 114.554 -0.115 0.000 3.086 203 T HA 0.354 4.704 4.350 -0.000 0.000 0.250 203 T C 1.329 175.922 174.700 -0.177 0.000 1.074 203 T CA 0.223 62.109 62.100 -0.357 0.000 0.988 203 T CB 0.235 68.276 68.868 -1.379 0.000 0.988 203 T HN 0.626 nan 8.240 nan 0.000 0.530 204 G N 0.289 109.063 108.800 -0.042 0.000 2.273 204 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.162 204 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.162 204 G C 0.156 174.974 174.900 -0.136 0.000 1.006 204 G CA -0.211 44.841 45.100 -0.080 0.000 0.704 204 G HN 0.484 nan 8.290 nan 0.000 0.487 205 Y N 1.215 121.535 120.300 0.035 0.000 2.555 205 Y HA 0.491 5.041 4.550 -0.000 0.000 0.259 205 Y C 1.481 177.525 175.900 0.241 0.000 1.179 205 Y CA 0.503 58.693 58.100 0.150 0.000 1.230 205 Y CB 1.059 39.621 38.460 0.170 0.000 1.146 205 Y HN 1.040 nan 8.280 nan 0.000 0.526 206 G N 0.516 109.491 108.800 0.290 0.000 2.629 206 G HA2 0.152 4.112 3.960 -0.000 0.000 0.686 206 G HA3 0.152 4.112 3.960 -0.000 0.000 0.686 206 G C -0.763 174.301 174.900 0.272 0.000 1.232 206 G CA -0.777 44.450 45.100 0.212 0.000 0.803 206 G HN 0.464 nan 8.290 nan 0.000 0.638 207 A N 1.580 124.543 122.820 0.237 0.000 2.666 207 A HA 0.750 5.070 4.320 -0.000 0.000 0.312 207 A C 0.663 178.426 177.584 0.298 0.000 1.471 207 A CA 1.027 53.239 52.037 0.292 0.000 1.134 207 A CB -0.778 18.409 19.000 0.311 0.000 1.129 207 A HN 1.966 nan 8.150 nan 0.000 0.539 208 M N -0.125 119.549 119.600 0.123 0.000 2.843 208 M HA 0.562 5.042 4.480 -0.000 0.000 0.273 208 M C -1.496 174.723 176.300 -0.135 0.000 1.286 208 M CA -0.893 54.412 55.300 0.010 0.000 0.807 208 M CB 1.435 33.872 32.600 -0.273 0.000 1.684 208 M HN 0.190 nan 8.290 nan 0.000 0.458 209 D N 0.749 121.122 120.400 -0.045 0.000 2.500 209 D HA 0.348 4.988 4.640 -0.000 0.000 0.219 209 D C -0.095 176.148 176.300 -0.095 0.000 1.137 209 D CA -0.343 53.650 54.000 -0.012 0.000 0.946 209 D CB -0.137 40.739 40.800 0.125 0.000 1.022 209 D HN 0.543 nan 8.370 nan 0.000 0.518 210 F N 1.070 121.059 119.950 0.064 0.000 2.373 210 F HA -0.171 4.356 4.527 -0.000 0.000 0.300 210 F C 2.624 178.440 175.800 0.026 0.000 1.080 210 F CA 0.948 58.969 58.000 0.036 0.000 1.417 210 F CB -0.240 38.767 39.000 0.010 0.000 1.070 210 F HN 0.334 nan 8.300 nan 0.000 0.546 211 S N -1.413 114.395 115.700 0.179 0.000 2.414 211 S HA -0.123 4.347 4.470 -0.000 0.000 0.227 211 S C 1.909 176.553 174.600 0.074 0.000 1.022 211 S CA 1.136 59.407 58.200 0.117 0.000 0.958 211 S CB -0.940 62.317 63.200 0.095 0.000 0.797 211 S HN 0.445 nan 8.310 nan 0.000 0.493 212 T N -1.691 112.899 114.554 0.059 0.000 3.022 212 T HA 0.354 4.704 4.350 -0.000 0.000 0.250 212 T C 1.051 175.765 174.700 0.024 0.000 1.060 212 T CA -0.147 61.976 62.100 0.039 0.000 1.013 212 T CB -0.072 68.821 68.868 0.042 0.000 0.982 212 T HN 0.206 nan 8.240 nan 0.000 0.508 213 L N 0.633 121.863 121.223 0.011 0.000 2.693 213 L HA 0.514 4.854 4.340 -0.000 0.000 0.235 213 L C 0.327 177.199 176.870 0.003 0.000 1.127 213 L CA 0.425 55.260 54.840 -0.009 0.000 0.914 213 L CB 0.079 42.106 42.059 -0.053 0.000 1.193 213 L HN 0.361 nan 8.230 nan 0.000 0.502 214 Q N -0.734 119.086 119.800 0.032 0.000 2.786 214 Q HA 0.137 4.477 4.340 -0.000 0.000 0.240 214 Q C -0.195 175.821 176.000 0.027 0.000 0.928 214 Q CA -0.260 55.565 55.803 0.035 0.000 0.721 214 Q CB 1.343 30.133 28.738 0.087 0.000 1.318 214 Q HN -0.011 nan 8.270 nan 0.000 0.474 215 D N 0.305 120.710 120.400 0.008 0.000 2.182 215 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 215 D C 1.425 177.721 176.300 -0.007 0.000 0.986 215 D CA 1.670 55.672 54.000 0.002 0.000 0.847 215 D CB 0.256 41.052 40.800 -0.007 0.000 0.942 215 D HN 0.420 nan 8.370 nan 0.000 0.467 216 T N 0.408 114.949 114.554 -0.023 0.000 2.635 216 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 216 T C 0.985 175.668 174.700 -0.029 0.000 1.040 216 T CA 1.838 63.912 62.100 -0.044 0.000 1.156 216 T CB -0.160 68.658 68.868 -0.084 0.000 0.863 216 T HN 0.245 nan 8.240 nan 0.000 0.430 217 K N -1.429 118.962 120.400 -0.016 0.000 3.338 217 K HA -0.133 4.187 4.320 -0.000 0.000 0.292 217 K C -0.124 176.463 176.600 -0.022 0.000 1.268 217 K CA 0.453 56.759 56.287 0.032 0.000 0.853 217 K CB -2.314 30.233 32.500 0.078 0.000 1.342 217 K HN 0.461 nan 8.250 nan 0.000 0.501 218 C N -0.059 119.117 119.300 -0.207 0.000 3.613 218 C HA 0.135 4.595 4.460 -0.000 0.000 0.277 218 C C 1.299 175.952 174.990 -0.562 0.000 2.235 218 C CA -0.714 57.971 59.018 -0.555 0.000 1.657 218 C CB 0.168 27.653 27.740 -0.425 0.000 3.412 218 C HN 0.313 nan 8.230 nan 0.000 0.432 219 E N 1.546 121.511 120.200 -0.391 0.000 2.442 219 E HA 0.101 4.451 4.350 -0.000 0.000 0.195 219 E C 0.739 176.988 176.600 -0.585 0.000 1.030 219 E CA 0.813 56.945 56.400 -0.446 0.000 0.869 219 E CB 0.453 30.049 29.700 -0.173 0.000 0.857 219 E HN 0.675 nan 8.360 nan 0.000 0.505 220 V N -3.111 116.503 119.914 -0.500 0.000 3.216 220 V HA 0.522 4.642 4.120 -0.000 0.000 0.302 220 V C -3.074 172.914 176.094 -0.176 0.000 1.286 220 V CA -2.945 59.041 62.300 -0.524 0.000 1.048 220 V CB 1.903 33.191 31.823 -0.891 0.000 1.081 220 V HN -0.297 nan 8.190 nan 0.000 0.442 221 P HA 0.249 nan 4.420 nan 0.000 0.270 221 P C 0.753 178.051 177.300 -0.003 0.000 1.223 221 P CA -0.202 62.919 63.100 0.035 0.000 0.785 221 P CB 0.491 32.173 31.700 -0.030 0.000 0.923 222 L N 2.210 123.396 121.223 -0.061 0.000 2.089 222 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 222 L C 1.575 178.457 176.870 0.020 0.000 1.079 222 L CA 2.111 56.913 54.840 -0.064 0.000 0.758 222 L CB -1.366 40.606 42.059 -0.146 0.000 0.891 222 L HN 0.477 nan 8.230 nan 0.000 0.433 223 D N -1.412 118.989 120.400 0.002 0.000 2.363 223 D HA -0.136 4.504 4.640 -0.000 0.000 0.220 223 D C 1.561 177.907 176.300 0.077 0.000 0.994 223 D CA 1.137 55.206 54.000 0.115 0.000 0.890 223 D CB -0.329 40.588 40.800 0.195 0.000 0.906 223 D HN 0.608 nan 8.370 nan 0.000 0.530 224 I N -3.627 116.924 120.570 -0.031 0.000 4.557 224 I HA 0.260 4.430 4.170 -0.000 0.000 0.333 224 I C 1.907 177.904 176.117 -0.199 0.000 1.332 224 I CA -0.648 60.571 61.300 -0.135 0.000 1.240 224 I CB 0.011 37.796 38.000 -0.358 0.000 1.312 224 I HN 0.025 nan 8.210 nan 0.000 0.457 225 C N 1.834 121.053 119.300 -0.136 0.000 2.391 225 C HA -0.151 4.309 4.460 -0.000 0.000 0.276 225 C C 1.935 176.959 174.990 0.056 0.000 1.217 225 C CA 1.528 60.510 59.018 -0.061 0.000 1.766 225 C CB -0.773 27.002 27.740 0.059 0.000 2.046 225 C HN 0.642 nan 8.230 nan 0.000 0.475 226 Q N 1.053 120.899 119.800 0.078 0.000 2.211 226 Q HA 0.381 4.721 4.340 -0.000 0.000 0.301 226 Q C -0.205 175.864 176.000 0.115 0.000 0.884 226 Q CA 0.118 55.983 55.803 0.103 0.000 1.115 226 Q CB 0.982 29.768 28.738 0.080 0.000 1.217 226 Q HN 0.750 nan 8.270 nan 0.000 0.451 227 S N -0.610 115.180 115.700 0.150 0.000 2.740 227 S HA 0.641 5.111 4.470 -0.000 0.000 0.300 227 S C -0.121 174.610 174.600 0.219 0.000 1.147 227 S CA -0.650 57.637 58.200 0.145 0.000 0.871 227 S CB 1.631 64.902 63.200 0.118 0.000 1.173 227 S HN 0.185 nan 8.310 nan 0.000 0.510 228 I N 1.032 121.677 120.570 0.125 0.000 2.377 228 I HA 0.376 4.546 4.170 -0.000 0.000 0.293 228 I C -0.906 175.283 176.117 0.121 0.000 0.987 228 I CA -0.426 60.910 61.300 0.061 0.000 1.185 228 I CB 1.115 39.000 38.000 -0.191 0.000 1.341 228 I HN 0.480 nan 8.210 nan 0.000 0.455 229 C N 6.169 125.607 119.300 0.230 0.000 2.303 229 C HA 0.472 4.932 4.460 -0.000 0.000 0.326 229 C C 0.291 175.419 174.990 0.229 0.000 1.285 229 C CA -0.813 58.365 59.018 0.266 0.000 1.675 229 C CB 0.514 28.483 27.740 0.381 0.000 2.289 229 C HN 0.704 nan 8.230 nan 0.000 0.512 230 K N 1.420 121.978 120.400 0.263 0.000 2.258 230 K HA 0.631 4.951 4.320 -0.000 0.000 0.236 230 K C -1.464 175.394 176.600 0.430 0.000 1.008 230 K CA -0.630 55.808 56.287 0.252 0.000 0.869 230 K CB 2.033 34.565 32.500 0.053 0.000 1.171 230 K HN 0.652 nan 8.250 nan 0.000 0.447 231 Y N 0.738 121.155 120.300 0.195 0.000 2.470 231 Y HA 0.306 4.856 4.550 -0.000 0.000 0.341 231 Y C -2.790 173.158 175.900 0.080 0.000 1.021 231 Y CA -2.464 55.771 58.100 0.225 0.000 1.025 231 Y CB 1.898 40.481 38.460 0.205 0.000 1.266 231 Y HN 0.371 nan 8.280 nan 0.000 0.448 232 P HA -0.022 nan 4.420 nan 0.000 0.264 232 P C -0.737 176.152 177.300 -0.685 0.000 1.183 232 P CA 0.469 63.152 63.100 -0.696 0.000 0.763 232 P CB 0.518 31.436 31.700 -1.302 0.000 0.807 233 D N 2.631 122.785 120.400 -0.409 0.000 2.619 233 D HA 0.038 4.678 4.640 -0.000 0.000 0.224 233 D C 0.574 176.766 176.300 -0.180 0.000 1.133 233 D CA -0.104 53.782 54.000 -0.189 0.000 1.017 233 D CB -0.437 40.297 40.800 -0.109 0.000 1.077 233 D HN 0.317 nan 8.370 nan 0.000 0.503 234 Y N 0.744 121.012 120.300 -0.054 0.000 2.256 234 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 234 Y C 2.286 178.180 175.900 -0.010 0.000 1.155 234 Y CA 0.720 58.795 58.100 -0.042 0.000 1.203 234 Y CB 0.018 38.454 38.460 -0.039 0.000 0.980 234 Y HN 0.312 nan 8.280 nan 0.000 0.530 235 L N -0.310 121.012 121.223 0.165 0.000 2.017 235 L HA -0.271 4.069 4.340 -0.000 0.000 0.208 235 L C 2.616 179.520 176.870 0.057 0.000 1.073 235 L CA 1.941 56.844 54.840 0.105 0.000 0.745 235 L CB -0.560 41.558 42.059 0.098 0.000 0.894 235 L HN 0.261 nan 8.230 nan 0.000 0.432 236 Q N -0.020 119.797 119.800 0.027 0.000 2.167 236 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 236 Q C 2.015 178.015 176.000 0.001 0.000 0.970 236 Q CA 1.573 57.378 55.803 0.003 0.000 0.855 236 Q CB -0.105 28.618 28.738 -0.025 0.000 0.911 236 Q HN 0.431 nan 8.270 nan 0.000 0.438 237 M N -0.558 119.038 119.600 -0.006 0.000 2.506 237 M HA 0.056 4.536 4.480 -0.000 0.000 0.260 237 M C 1.592 177.909 176.300 0.029 0.000 1.104 237 M CA 0.672 55.968 55.300 -0.006 0.000 1.112 237 M CB 0.365 32.940 32.600 -0.041 0.000 1.401 237 M HN 0.134 nan 8.290 nan 0.000 0.473 238 S N 0.407 116.135 115.700 0.045 0.000 2.470 238 S HA 0.102 4.572 4.470 -0.000 0.000 0.225 238 S C 1.937 176.559 174.600 0.037 0.000 1.006 238 S CA 0.877 59.105 58.200 0.048 0.000 0.934 238 S CB 0.036 63.267 63.200 0.051 0.000 0.778 238 S HN 0.523 nan 8.310 nan 0.000 0.517 239 A N 1.220 124.061 122.820 0.035 0.000 1.943 239 A HA 0.137 4.457 4.320 -0.000 0.000 0.213 239 A C 0.695 178.299 177.584 0.033 0.000 1.181 239 A CA 0.047 52.102 52.037 0.030 0.000 0.653 239 A CB -0.488 18.528 19.000 0.026 0.000 0.833 239 A HN 0.407 nan 8.150 nan 0.000 0.451 240 D N 0.607 121.029 120.400 0.036 0.000 3.277 240 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 240 D C -0.987 175.354 176.300 0.068 0.000 1.057 240 D CA 0.271 54.304 54.000 0.055 0.000 0.751 240 D CB 0.863 41.708 40.800 0.074 0.000 1.155 240 D HN 0.218 nan 8.370 nan 0.000 0.536 241 P HA -0.144 nan 4.420 nan 0.000 0.220 241 P C 0.874 178.180 177.300 0.010 0.000 1.152 241 P CA 1.230 64.310 63.100 -0.034 0.000 0.812 241 P CB 0.058 31.633 31.700 -0.208 0.000 0.792 242 Y N 0.333 120.753 120.300 0.199 0.000 2.269 242 Y HA 0.203 4.753 4.550 -0.000 0.000 0.294 242 Y C 1.936 178.023 175.900 0.312 0.000 1.120 242 Y CA 1.214 59.468 58.100 0.257 0.000 1.159 242 Y CB -0.563 38.007 38.460 0.184 0.000 1.024 242 Y HN 0.059 nan 8.280 nan 0.000 0.532 243 G N 0.056 109.076 108.800 0.367 0.000 2.164 243 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.212 243 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.212 243 G C 0.127 175.189 174.900 0.270 0.000 1.031 243 G CA 0.335 45.602 45.100 0.277 0.000 0.730 243 G HN 0.342 nan 8.290 nan 0.000 0.501 244 D N 0.036 120.579 120.400 0.239 0.000 2.350 244 D HA 0.168 4.808 4.640 -0.000 0.000 0.213 244 D C 2.198 178.479 176.300 -0.032 0.000 1.031 244 D CA 0.940 55.055 54.000 0.191 0.000 0.861 244 D CB 0.280 41.230 40.800 0.250 0.000 0.926 244 D HN 0.382 nan 8.370 nan 0.000 0.520 245 S N 0.212 115.889 115.700 -0.039 0.000 2.406 245 S HA 0.056 4.526 4.470 -0.000 0.000 0.224 245 S C 1.041 175.524 174.600 -0.194 0.000 1.030 245 S CA 0.366 58.486 58.200 -0.132 0.000 0.958 245 S CB 0.121 63.270 63.200 -0.086 0.000 0.811 245 S HN 0.359 nan 8.310 nan 0.000 0.489 246 M N 0.057 119.570 119.600 -0.145 0.000 2.234 246 M HA 0.499 4.979 4.480 -0.000 0.000 0.267 246 M C -1.244 175.035 176.300 -0.035 0.000 1.022 246 M CA -0.778 54.422 55.300 -0.168 0.000 0.993 246 M CB 1.123 33.696 32.600 -0.045 0.000 1.836 246 M HN 0.027 nan 8.290 nan 0.000 0.479 247 F N 1.391 121.442 119.950 0.169 0.000 2.772 247 F HA 0.757 5.284 4.527 0.000 0.000 0.302 247 F C -1.184 174.782 175.800 0.277 0.000 1.136 247 F CA -1.667 56.439 58.000 0.177 0.000 1.322 247 F CB -0.235 38.860 39.000 0.157 0.000 0.967 247 F HN 0.543 nan 8.300 nan 0.000 0.513 248 F N 1.260 121.363 119.950 0.254 0.000 2.660 248 F HA 0.469 4.996 4.527 0.000 0.000 0.320 248 F C -1.889 173.966 175.800 0.091 0.000 1.099 248 F CA -1.556 56.553 58.000 0.181 0.000 1.061 248 F CB 0.666 39.807 39.000 0.235 0.000 1.300 248 F HN 0.221 nan 8.300 nan 0.000 0.479 249 C N 7.504 126.461 119.300 -0.571 0.000 2.782 249 C HA 0.892 5.352 4.460 -0.000 0.000 0.328 249 C C -2.365 172.333 174.990 -0.487 0.000 1.145 249 C CA -0.601 58.224 59.018 -0.322 0.000 1.358 249 C CB 0.781 28.485 27.740 -0.060 0.000 1.841 249 C HN 0.836 nan 8.230 nan 0.000 0.477 250 L N 6.279 127.309 121.223 -0.321 0.000 2.491 250 L HA 0.682 5.022 4.340 -0.000 0.000 0.267 250 L C -0.074 176.703 176.870 -0.155 0.000 0.971 250 L CA -0.016 54.639 54.840 -0.309 0.000 0.857 250 L CB 1.505 43.331 42.059 -0.387 0.000 1.226 250 L HN 0.930 nan 8.230 nan 0.000 0.408 251 R N 2.315 122.719 120.500 -0.160 0.000 2.892 251 R HA 0.971 5.311 4.340 -0.000 0.000 0.265 251 R C -0.693 175.555 176.300 -0.087 0.000 1.025 251 R CA -1.138 54.904 56.100 -0.096 0.000 0.982 251 R CB 2.030 32.249 30.300 -0.134 0.000 1.185 251 R HN 0.410 nan 8.270 nan 0.000 0.484 252 R N 1.005 121.482 120.500 -0.039 0.000 2.983 252 R HA 0.112 4.452 4.340 -0.000 0.000 0.290 252 R C -1.530 174.782 176.300 0.021 0.000 1.327 252 R CA -0.274 55.810 56.100 -0.027 0.000 1.062 252 R CB 1.051 31.314 30.300 -0.061 0.000 1.307 252 R HN 0.983 nan 8.270 nan 0.000 0.389 253 E N 3.834 124.063 120.200 0.050 0.000 2.320 253 E HA 0.515 4.865 4.350 -0.000 0.000 0.264 253 E C -1.280 175.361 176.600 0.068 0.000 0.923 253 E CA -1.001 55.448 56.400 0.082 0.000 0.796 253 E CB 2.533 32.313 29.700 0.134 0.000 1.262 253 E HN 0.611 nan 8.360 nan 0.000 0.428 254 Q N 0.549 120.397 119.800 0.080 0.000 2.721 254 Q HA 0.529 4.869 4.340 -0.000 0.000 0.282 254 Q C -1.386 174.672 176.000 0.096 0.000 0.932 254 Q CA -1.112 54.739 55.803 0.079 0.000 0.816 254 Q CB 1.449 30.232 28.738 0.076 0.000 1.506 254 Q HN 0.612 nan 8.270 nan 0.000 0.399 255 L N -1.776 119.512 121.223 0.110 0.000 3.176 255 L HA 0.865 5.205 4.340 -0.000 0.000 0.294 255 L C -1.795 175.194 176.870 0.197 0.000 0.981 255 L CA -0.759 54.144 54.840 0.106 0.000 1.015 255 L CB 0.359 42.434 42.059 0.025 0.000 1.591 255 L HN 1.169 nan 8.230 nan 0.000 0.371 256 F N -1.294 118.659 119.950 0.006 0.000 2.770 256 F HA 0.875 5.402 4.527 -0.000 0.000 0.313 256 F C -0.899 174.899 175.800 -0.003 0.000 1.154 256 F CA -0.662 57.336 58.000 -0.003 0.000 0.923 256 F CB 0.907 39.906 39.000 -0.002 0.000 1.301 256 F HN 0.923 nan 8.300 nan 0.000 0.449 257 A N 2.919 125.888 122.820 0.249 0.000 2.437 257 A HA 0.510 4.830 4.320 -0.000 0.000 0.303 257 A C 1.078 178.762 177.584 0.166 0.000 1.324 257 A CA -0.231 51.890 52.037 0.140 0.000 0.983 257 A CB 0.153 19.320 19.000 0.279 0.000 1.142 257 A HN 0.899 nan 8.150 nan 0.000 0.541 258 R N 1.884 122.276 120.500 -0.179 0.000 2.064 258 R HA -0.008 4.332 4.340 -0.000 0.000 0.228 258 R C -0.076 175.994 176.300 -0.383 0.000 1.144 258 R CA 1.728 57.739 56.100 -0.147 0.000 0.932 258 R CB -0.307 29.892 30.300 -0.167 0.000 0.833 258 R HN 0.811 nan 8.270 nan 0.000 0.429 259 H N -1.893 116.929 119.070 -0.413 0.000 2.621 259 H HA 0.380 4.936 4.556 -0.000 0.000 0.360 259 H C -1.064 173.916 175.328 -0.580 0.000 1.163 259 H CA -0.612 55.023 56.048 -0.688 0.000 1.194 259 H CB 1.335 30.536 29.762 -0.935 0.000 1.649 259 H HN 0.048 nan 8.280 nan 0.000 0.532 260 F N 1.863 121.516 119.950 -0.496 0.000 2.415 260 F HA 0.306 4.833 4.527 -0.000 0.000 0.348 260 F C -0.479 175.233 175.800 -0.147 0.000 1.119 260 F CA -0.754 57.062 58.000 -0.306 0.000 1.069 260 F CB 1.259 40.176 39.000 -0.138 0.000 1.124 260 F HN 0.192 nan 8.300 nan 0.000 0.472 261 W N 1.357 122.886 121.300 0.382 0.000 3.029 261 W HA 0.294 4.954 4.660 -0.000 0.000 0.339 261 W C -0.665 176.038 176.519 0.306 0.000 1.198 261 W CA -1.243 56.292 57.345 0.315 0.000 1.148 261 W CB 1.432 31.064 29.460 0.286 0.000 1.451 261 W HN 0.431 nan 8.180 nan 0.000 0.564 262 N N 1.113 120.094 118.700 0.468 0.000 2.493 262 N HA 0.349 5.089 4.740 -0.000 0.000 0.275 262 N C -0.320 175.266 175.510 0.126 0.000 1.186 262 N CA -0.452 52.722 53.050 0.207 0.000 0.978 262 N CB 0.862 39.438 38.487 0.149 0.000 1.184 262 N HN -0.055 nan 8.380 nan 0.000 0.487 263 R N 1.013 121.519 120.500 0.009 0.000 2.514 263 R HA 0.460 4.800 4.340 -0.000 0.000 0.301 263 R C -0.782 175.490 176.300 -0.047 0.000 0.962 263 R CA -0.647 55.447 56.100 -0.011 0.000 0.882 263 R CB 1.559 31.844 30.300 -0.025 0.000 1.143 263 R HN 0.560 nan 8.270 nan 0.000 0.452 264 A N 0.923 123.713 122.820 -0.050 0.000 2.316 264 A HA 0.761 5.081 4.320 -0.000 0.000 0.284 264 A C 0.422 177.971 177.584 -0.058 0.000 1.115 264 A CA 0.481 52.486 52.037 -0.052 0.000 0.812 264 A CB 0.713 19.681 19.000 -0.052 0.000 1.064 264 A HN 0.836 nan 8.150 nan 0.000 0.489 265 G N -0.333 108.435 108.800 -0.052 0.000 2.343 265 G HA2 0.453 4.413 3.960 -0.000 0.000 0.465 265 G HA3 0.453 4.413 3.960 -0.000 0.000 0.465 265 G C -0.277 174.594 174.900 -0.047 0.000 1.282 265 G CA -0.167 44.904 45.100 -0.049 0.000 0.996 265 G HN 1.882 nan 8.290 nan 0.000 0.521 266 T N -0.720 113.809 114.554 -0.041 0.000 2.806 266 T HA 0.584 4.934 4.350 -0.000 0.000 0.290 266 T C 0.855 175.530 174.700 -0.041 0.000 0.966 266 T CA -0.664 61.413 62.100 -0.038 0.000 1.060 266 T CB 1.062 69.912 68.868 -0.029 0.000 0.927 266 T HN 0.613 nan 8.240 nan 0.000 0.485 267 M N 3.503 123.076 119.600 -0.044 0.000 2.269 267 M HA 0.174 4.654 4.480 -0.000 0.000 0.350 267 M C 1.639 177.920 176.300 -0.033 0.000 1.429 267 M CA -0.257 55.015 55.300 -0.046 0.000 1.063 267 M CB -0.068 32.502 32.600 -0.050 0.000 1.841 267 M HN 1.055 nan 8.290 nan 0.000 0.455 268 G N 3.505 112.286 108.800 -0.032 0.000 2.424 268 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.214 268 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.214 268 G C 0.177 175.066 174.900 -0.018 0.000 1.202 268 G CA 0.140 45.225 45.100 -0.024 0.000 0.793 268 G HN 0.654 nan 8.290 nan 0.000 0.534 269 D N 1.566 121.955 120.400 -0.019 0.000 2.295 269 D HA 0.306 4.946 4.640 -0.000 0.000 0.248 269 D C -0.107 176.189 176.300 -0.007 0.000 1.154 269 D CA 0.202 54.195 54.000 -0.011 0.000 0.857 269 D CB 1.275 42.068 40.800 -0.012 0.000 1.117 269 D HN -0.012 nan 8.370 nan 0.000 0.468 270 T N 0.909 115.465 114.554 0.004 0.000 2.851 270 T HA 0.171 4.521 4.350 -0.000 0.000 0.298 270 T C 0.781 175.503 174.700 0.036 0.000 0.977 270 T CA -0.694 61.416 62.100 0.017 0.000 1.126 270 T CB 1.050 69.933 68.868 0.025 0.000 0.916 270 T HN 0.036 nan 8.240 nan 0.000 0.529 271 V N 6.301 126.242 119.914 0.045 0.000 2.485 271 V HA 0.122 4.242 4.120 -0.000 0.000 0.287 271 V C -1.726 174.463 176.094 0.158 0.000 1.022 271 V CA -1.506 60.841 62.300 0.077 0.000 1.067 271 V CB -0.345 31.501 31.823 0.038 0.000 0.967 271 V HN 0.759 nan 8.190 nan 0.000 0.479 272 P HA -0.001 nan 4.420 nan 0.000 0.264 272 P C 0.714 178.098 177.300 0.139 0.000 1.179 272 P CA 0.109 63.274 63.100 0.108 0.000 0.763 272 P CB 0.424 32.166 31.700 0.070 0.000 0.806 273 Q N 1.139 120.947 119.800 0.013 0.000 2.297 273 Q HA -0.071 4.269 4.340 -0.000 0.000 0.204 273 Q C 1.480 177.333 176.000 -0.244 0.000 0.962 273 Q CA 1.382 57.062 55.803 -0.204 0.000 0.879 273 Q CB -0.169 28.468 28.738 -0.169 0.000 0.947 273 Q HN 0.587 nan 8.270 nan 0.000 0.462 274 S N -0.789 114.862 115.700 -0.083 0.000 2.603 274 S HA 0.101 4.571 4.470 -0.000 0.000 0.220 274 S C 1.586 176.176 174.600 -0.017 0.000 0.967 274 S CA 0.053 58.217 58.200 -0.061 0.000 0.920 274 S CB -0.067 63.118 63.200 -0.026 0.000 0.773 274 S HN 0.255 nan 8.310 nan 0.000 0.529 275 L N 0.232 121.483 121.223 0.047 0.000 2.607 275 L HA 0.379 4.719 4.340 -0.000 0.000 0.228 275 L C 0.374 177.406 176.870 0.271 0.000 1.123 275 L CA -0.192 54.739 54.840 0.152 0.000 0.890 275 L CB -0.175 41.998 42.059 0.190 0.000 1.103 275 L HN 0.604 nan 8.230 nan 0.000 0.468 276 Y N -3.046 117.262 120.300 0.013 0.000 2.905 276 Y HA 0.636 5.186 4.550 -0.000 0.000 0.322 276 Y C -1.059 174.848 175.900 0.013 0.000 1.455 276 Y CA -1.555 56.554 58.100 0.015 0.000 1.083 276 Y CB 1.125 39.597 38.460 0.020 0.000 1.473 276 Y HN -0.322 nan 8.280 nan 0.000 0.449 277 I N 2.406 123.054 120.570 0.130 0.000 2.436 277 I HA 0.333 4.503 4.170 -0.000 0.000 0.289 277 I C -0.659 175.546 176.117 0.145 0.000 1.010 277 I CA -1.125 60.185 61.300 0.017 0.000 1.098 277 I CB 2.039 40.065 38.000 0.044 0.000 1.266 277 I HN 0.555 nan 8.210 nan 0.000 0.434 278 K N 3.363 123.794 120.400 0.051 0.000 2.380 278 K HA 0.328 4.648 4.320 -0.000 0.000 0.267 278 K C 0.391 177.059 176.600 0.115 0.000 0.990 278 K CA -0.069 56.306 56.287 0.146 0.000 0.946 278 K CB 1.045 33.584 32.500 0.065 0.000 0.937 278 K HN 0.836 nan 8.250 nan 0.000 0.491 279 G N 0.180 109.048 108.800 0.114 0.000 3.122 279 G HA2 0.479 4.439 3.960 -0.000 0.000 0.180 279 G HA3 0.479 4.439 3.960 -0.000 0.000 0.180 279 G C -0.806 174.128 174.900 0.055 0.000 1.279 279 G CA -0.397 44.747 45.100 0.074 0.000 0.987 279 G HN 0.591 nan 8.290 nan 0.000 0.589 280 T N -3.668 110.912 114.554 0.043 0.000 2.906 280 T HA 0.696 5.045 4.350 -0.000 0.000 0.295 280 T C 0.714 175.432 174.700 0.030 0.000 1.061 280 T CA 0.626 62.746 62.100 0.034 0.000 1.000 280 T CB 1.439 70.322 68.868 0.026 0.000 1.103 280 T HN 2.391 nan 8.240 nan 0.000 0.486 281 G N 2.368 111.183 108.800 0.026 0.000 2.514 281 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.265 281 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.265 281 G C 0.889 175.803 174.900 0.022 0.000 1.150 281 G CA 0.743 45.856 45.100 0.021 0.000 0.959 281 G HN 1.444 nan 8.290 nan 0.000 0.556 282 M N -0.695 118.917 119.600 0.020 0.000 2.419 282 M HA 0.329 4.809 4.480 -0.000 0.000 0.264 282 M C 2.145 178.456 176.300 0.018 0.000 1.082 282 M CA 1.841 57.151 55.300 0.016 0.000 1.119 282 M CB -0.076 32.533 32.600 0.015 0.000 1.398 282 M HN 0.310 nan 8.290 nan 0.000 0.453 283 R N 0.922 121.437 120.500 0.025 0.000 2.328 283 R HA 0.203 4.543 4.340 -0.000 0.000 0.200 283 R C 1.784 178.115 176.300 0.051 0.000 0.983 283 R CA 0.475 56.594 56.100 0.032 0.000 1.062 283 R CB -0.134 30.187 30.300 0.036 0.000 0.956 283 R HN 0.571 nan 8.270 nan 0.000 0.479 284 A N -0.380 122.470 122.820 0.050 0.000 2.081 284 A HA 0.054 4.374 4.320 -0.000 0.000 0.214 284 A C 0.887 178.530 177.584 0.099 0.000 1.158 284 A CA 0.415 52.496 52.037 0.073 0.000 0.724 284 A CB 0.403 19.434 19.000 0.053 0.000 0.826 284 A HN 0.153 nan 8.150 nan 0.000 0.463 285 S N 0.827 116.563 115.700 0.059 0.000 2.500 285 S HA 0.574 5.044 4.470 -0.000 0.000 0.301 285 S C -2.947 171.630 174.600 -0.039 0.000 1.092 285 S CA -1.694 56.533 58.200 0.045 0.000 1.030 285 S CB 1.219 64.438 63.200 0.032 0.000 1.031 285 S HN 0.191 nan 8.310 nan 0.000 0.483 286 P HA 0.245 nan 4.420 nan 0.000 0.269 286 P C 0.466 177.694 177.300 -0.119 0.000 1.209 286 P CA -0.123 62.844 63.100 -0.221 0.000 0.776 286 P CB 0.305 31.763 31.700 -0.402 0.000 0.876 287 G N 0.939 109.679 108.800 -0.099 0.000 2.630 287 G HA2 0.241 4.201 3.960 -0.000 0.000 0.223 287 G HA3 0.241 4.201 3.960 -0.000 0.000 0.223 287 G C -0.328 174.513 174.900 -0.099 0.000 1.434 287 G CA -0.432 44.627 45.100 -0.069 0.000 1.057 287 G HN 0.588 nan 8.290 nan 0.000 0.570 288 S N -1.904 113.732 115.700 -0.107 0.000 2.533 288 S HA 0.185 4.655 4.470 -0.000 0.000 0.282 288 S C 0.241 174.642 174.600 -0.333 0.000 1.304 288 S CA -0.506 57.588 58.200 -0.178 0.000 1.063 288 S CB 0.086 63.190 63.200 -0.159 0.000 0.881 288 S HN 0.488 nan 8.310 nan 0.000 0.493 289 C N 5.412 124.482 119.300 -0.384 0.000 2.859 289 C HA 0.371 4.831 4.460 -0.000 0.000 0.256 289 C C -0.353 174.302 174.990 -0.558 0.000 1.660 289 C CA -0.563 58.122 59.018 -0.555 0.000 1.755 289 C CB -0.956 26.674 27.740 -0.183 0.000 3.127 289 C HN 0.668 nan 8.230 nan 0.000 0.494 290 V N 2.048 121.632 119.914 -0.549 0.000 2.311 290 V HA 0.417 4.537 4.120 -0.000 0.000 0.275 290 V C -0.714 175.217 176.094 -0.271 0.000 1.022 290 V CA -0.239 61.895 62.300 -0.275 0.000 0.830 290 V CB 0.138 31.883 31.823 -0.130 0.000 1.012 290 V HN 0.434 nan 8.190 nan 0.000 0.452 291 Y N 2.174 122.495 120.300 0.035 0.000 2.528 291 Y HA 0.774 5.324 4.550 -0.000 0.000 0.335 291 Y C 0.503 176.444 175.900 0.068 0.000 1.093 291 Y CA -0.821 57.317 58.100 0.064 0.000 1.134 291 Y CB 2.335 40.810 38.460 0.025 0.000 1.253 291 Y HN 0.615 nan 8.280 nan 0.000 0.478 292 S N 1.421 117.302 115.700 0.302 0.000 2.562 292 S HA 0.579 5.049 4.470 -0.000 0.000 0.274 292 S C -3.472 171.271 174.600 0.238 0.000 1.160 292 S CA -1.391 56.940 58.200 0.218 0.000 0.933 292 S CB 2.455 65.807 63.200 0.253 0.000 1.100 292 S HN 0.370 nan 8.310 nan 0.000 0.468 293 P HA 0.426 nan 4.420 nan 0.000 0.293 293 P C -0.307 176.953 177.300 -0.067 0.000 1.291 293 P CA -0.516 62.591 63.100 0.012 0.000 0.867 293 P CB 1.545 33.222 31.700 -0.038 0.000 1.074 294 S N 3.084 118.689 115.700 -0.158 0.000 2.510 294 S HA 0.307 4.777 4.470 -0.000 0.000 0.279 294 S C -1.868 172.618 174.600 -0.191 0.000 1.284 294 S CA -0.915 57.224 58.200 -0.102 0.000 1.059 294 S CB -0.357 62.748 63.200 -0.159 0.000 0.901 294 S HN 0.349 nan 8.310 nan 0.000 0.491 295 P HA 0.388 nan 4.420 nan 0.000 0.279 295 P C -0.558 176.589 177.300 -0.255 0.000 1.282 295 P CA -0.609 62.349 63.100 -0.237 0.000 0.788 295 P CB 1.004 32.584 31.700 -0.200 0.000 1.139 296 S N -1.194 114.294 115.700 -0.353 0.000 2.581 296 S HA 0.477 4.947 4.470 -0.000 0.000 0.306 296 S C -0.514 173.907 174.600 -0.299 0.000 1.080 296 S CA -0.615 57.355 58.200 -0.384 0.000 0.925 296 S CB -0.290 62.465 63.200 -0.741 0.000 1.128 296 S HN 0.689 nan 8.310 nan 0.000 0.451 297 G N 2.308 111.089 108.800 -0.031 0.000 2.476 297 G HA2 0.551 4.511 3.960 -0.000 0.000 0.286 297 G HA3 0.551 4.511 3.960 -0.000 0.000 0.286 297 G C 0.519 175.513 174.900 0.156 0.000 1.177 297 G CA 0.141 45.294 45.100 0.089 0.000 0.870 297 G HN 0.784 nan 8.290 nan 0.000 0.528 298 S N 0.096 115.939 115.700 0.238 0.000 3.757 298 S HA 0.373 4.843 4.470 -0.000 0.000 0.190 298 S C 0.909 175.604 174.600 0.159 0.000 0.948 298 S CA -0.658 57.721 58.200 0.299 0.000 1.592 298 S CB -0.299 63.075 63.200 0.290 0.000 0.656 298 S HN 0.399 nan 8.310 nan 0.000 0.640 299 I N 1.770 122.405 120.570 0.109 0.000 2.634 299 I HA 0.257 4.427 4.170 -0.000 0.000 0.284 299 I C -0.199 175.958 176.117 0.067 0.000 1.124 299 I CA -0.173 61.172 61.300 0.075 0.000 1.417 299 I CB 1.319 39.348 38.000 0.049 0.000 1.396 299 I HN 0.211 nan 8.210 nan 0.000 0.571 300 V N 5.968 125.918 119.914 0.059 0.000 2.384 300 V HA 0.594 4.714 4.120 -0.000 0.000 0.287 300 V C -0.289 175.827 176.094 0.037 0.000 1.020 300 V CA 0.114 62.444 62.300 0.051 0.000 0.850 300 V CB 1.688 33.545 31.823 0.056 0.000 0.987 300 V HN 0.871 nan 8.190 nan 0.000 0.436 301 T N 2.843 117.413 114.554 0.028 0.000 2.906 301 T HA 0.389 4.739 4.350 -0.000 0.000 0.295 301 T C 1.089 175.796 174.700 0.012 0.000 1.075 301 T CA 0.139 62.250 62.100 0.018 0.000 1.005 301 T CB 1.909 70.786 68.868 0.014 0.000 1.136 301 T HN 1.140 nan 8.240 nan 0.000 0.498 302 S N 1.730 117.435 115.700 0.009 0.000 2.481 302 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 302 S C 1.146 175.745 174.600 -0.002 0.000 0.996 302 S CA 0.782 58.984 58.200 0.004 0.000 0.942 302 S CB -0.305 62.897 63.200 0.003 0.000 0.768 302 S HN 0.756 nan 8.310 nan 0.000 0.520 303 D N 2.481 122.880 120.400 -0.001 0.000 2.178 303 D HA -0.037 4.603 4.640 -0.000 0.000 0.202 303 D C 1.494 177.789 176.300 -0.008 0.000 0.974 303 D CA 1.532 55.529 54.000 -0.004 0.000 0.841 303 D CB -0.245 40.553 40.800 -0.002 0.000 0.953 303 D HN 0.681 nan 8.370 nan 0.000 0.478 304 S N -0.120 115.575 115.700 -0.009 0.000 2.561 304 S HA 0.174 4.644 4.470 -0.000 0.000 0.245 304 S C 0.520 175.096 174.600 -0.039 0.000 1.001 304 S CA -0.621 57.568 58.200 -0.019 0.000 1.002 304 S CB 0.641 63.834 63.200 -0.011 0.000 0.805 304 S HN -0.113 nan 8.310 nan 0.000 0.458 305 Q N 1.007 120.786 119.800 -0.035 0.000 2.340 305 Q HA 0.483 4.823 4.340 -0.000 0.000 0.249 305 Q C 0.461 176.404 176.000 -0.095 0.000 0.957 305 Q CA -0.457 55.312 55.803 -0.057 0.000 0.882 305 Q CB 1.145 29.874 28.738 -0.015 0.000 1.235 305 Q HN 0.351 nan 8.270 nan 0.000 0.439 306 L N 2.534 123.614 121.223 -0.238 0.000 2.388 306 L HA 0.387 4.727 4.340 -0.000 0.000 0.209 306 L C -0.122 176.660 176.870 -0.145 0.000 1.061 306 L CA 0.792 55.440 54.840 -0.320 0.000 0.834 306 L CB 0.052 41.702 42.059 -0.681 0.000 1.029 306 L HN 0.657 nan 8.230 nan 0.000 0.473 307 F N -0.219 119.829 119.950 0.163 0.000 2.291 307 F HA 0.225 4.752 4.527 -0.000 0.000 0.305 307 F C 1.368 177.178 175.800 0.017 0.000 1.171 307 F CA -0.425 57.666 58.000 0.152 0.000 1.090 307 F CB -0.059 38.993 39.000 0.087 0.000 1.436 307 F HN -0.034 nan 8.300 nan 0.000 0.509 308 N N -0.401 118.420 118.700 0.201 0.000 2.741 308 N HA -0.214 4.526 4.740 -0.000 0.000 0.251 308 N C -1.319 174.129 175.510 -0.103 0.000 1.112 308 N CA 0.492 53.546 53.050 0.007 0.000 0.750 308 N CB -0.745 37.750 38.487 0.013 0.000 1.119 308 N HN 0.419 nan 8.380 nan 0.000 0.561 309 K N 0.168 120.426 120.400 -0.237 0.000 2.422 309 K HA 0.462 4.782 4.320 -0.000 0.000 0.251 309 K C -2.737 173.328 176.600 -0.890 0.000 0.933 309 K CA -1.663 54.340 56.287 -0.474 0.000 0.798 309 K CB 2.505 34.718 32.500 -0.477 0.000 1.238 309 K HN -0.148 nan 8.250 nan 0.000 0.428 310 P HA 0.156 nan 4.420 nan 0.000 0.285 310 P C -1.503 175.063 177.300 -1.223 0.000 1.259 310 P CA -0.254 62.281 63.100 -0.942 0.000 0.794 310 P CB 0.386 31.638 31.700 -0.746 0.000 0.940 311 Y N 0.616 120.509 120.300 -0.678 0.000 2.425 311 Y HA 0.456 5.006 4.550 -0.000 0.000 0.344 311 Y C -0.497 175.006 175.900 -0.661 0.000 0.969 311 Y CA -0.889 56.898 58.100 -0.522 0.000 1.052 311 Y CB 1.096 39.554 38.460 -0.003 0.000 1.215 311 Y HN 0.340 nan 8.280 nan 0.000 0.451 312 W N 4.749 126.155 121.300 0.177 0.000 2.349 312 W HA 0.688 5.348 4.660 0.000 0.000 0.309 312 W C -0.773 175.863 176.519 0.196 0.000 1.083 312 W CA -1.099 56.312 57.345 0.111 0.000 1.224 312 W CB 1.020 30.539 29.460 0.098 0.000 1.256 312 W HN 0.395 nan 8.180 nan 0.000 0.461 313 L N 2.810 124.188 121.223 0.259 0.000 2.281 313 L HA 0.433 4.773 4.340 -0.000 0.000 0.285 313 L C 1.106 178.139 176.870 0.271 0.000 1.074 313 L CA -0.583 54.420 54.840 0.272 0.000 0.817 313 L CB 0.592 42.705 42.059 0.091 0.000 1.168 313 L HN 0.612 nan 8.230 nan 0.000 0.434 314 H N 1.913 121.086 119.070 0.172 0.000 2.506 314 H HA 0.371 4.927 4.556 -0.000 0.000 0.289 314 H C -0.381 175.008 175.328 0.102 0.000 1.009 314 H CA -0.331 55.800 56.048 0.137 0.000 1.303 314 H CB 0.480 30.322 29.762 0.133 0.000 1.453 314 H HN 0.585 nan 8.280 nan 0.000 0.526 315 K N 0.781 120.875 120.400 -0.510 0.000 2.651 315 K HA 0.570 4.890 4.320 -0.000 0.000 0.259 315 K C -0.900 175.572 176.600 -0.213 0.000 1.017 315 K CA -0.121 56.009 56.287 -0.262 0.000 0.897 315 K CB 3.014 35.389 32.500 -0.208 0.000 1.262 315 K HN 0.342 nan 8.250 nan 0.000 0.460 316 A N 1.609 124.391 122.820 -0.064 0.000 2.346 316 A HA 0.071 4.391 4.320 -0.000 0.000 0.255 316 A C 1.083 178.694 177.584 0.045 0.000 1.113 316 A CA 0.302 52.368 52.037 0.048 0.000 0.798 316 A CB 0.275 19.348 19.000 0.121 0.000 1.073 316 A HN 0.852 nan 8.150 nan 0.000 0.502 317 Q N -0.466 119.390 119.800 0.094 0.000 2.259 317 Q HA 0.308 4.648 4.340 -0.000 0.000 0.201 317 Q C 0.986 176.994 176.000 0.013 0.000 0.938 317 Q CA 1.007 56.839 55.803 0.048 0.000 0.872 317 Q CB -0.547 28.229 28.738 0.064 0.000 0.971 317 Q HN 0.769 nan 8.270 nan 0.000 0.494 318 G N -0.575 108.261 108.800 0.059 0.000 2.574 318 G HA2 0.206 4.166 3.960 -0.000 0.000 0.248 318 G HA3 0.206 4.166 3.960 -0.000 0.000 0.248 318 G C -0.265 174.620 174.900 -0.024 0.000 1.422 318 G CA -0.147 44.952 45.100 -0.002 0.000 1.051 318 G HN 0.365 nan 8.290 nan 0.000 0.560 319 H N -1.046 118.147 119.070 0.204 0.000 2.465 319 H HA 0.102 4.658 4.556 -0.000 0.000 0.289 319 H C 0.905 176.390 175.328 0.263 0.000 1.022 319 H CA 0.138 56.321 56.048 0.225 0.000 1.340 319 H CB 0.337 30.258 29.762 0.265 0.000 1.437 319 H HN 0.234 nan 8.280 nan 0.000 0.539 320 N N 1.729 120.695 118.700 0.444 0.000 2.420 320 N HA -0.086 4.654 4.740 -0.000 0.000 0.262 320 N C -0.785 174.874 175.510 0.249 0.000 1.144 320 N CA 0.097 53.382 53.050 0.391 0.000 0.952 320 N CB 0.296 39.106 38.487 0.539 0.000 1.081 320 N HN 0.237 nan 8.380 nan 0.000 0.480 321 N N 3.013 121.751 118.700 0.062 0.000 3.234 321 N HA 0.141 4.881 4.740 -0.000 0.000 0.272 321 N C 0.494 175.819 175.510 -0.309 0.000 1.254 321 N CA 0.151 53.156 53.050 -0.074 0.000 1.087 321 N CB -0.564 37.903 38.487 -0.034 0.000 1.356 321 N HN 0.791 nan 8.380 nan 0.000 0.511 322 G N 1.125 109.475 108.800 -0.750 0.000 2.296 322 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.282 322 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.282 322 G C 0.133 174.665 174.900 -0.613 0.000 1.014 322 G CA 0.522 44.789 45.100 -1.387 0.000 0.812 322 G HN 0.390 nan 8.290 nan 0.000 0.508 323 V N 0.166 119.855 119.914 -0.375 0.000 2.479 323 V HA 0.186 4.306 4.120 -0.000 0.000 0.281 323 V C 1.201 177.098 176.094 -0.328 0.000 1.031 323 V CA -0.062 61.976 62.300 -0.436 0.000 1.038 323 V CB 1.025 32.381 31.823 -0.779 0.000 0.981 323 V HN 0.421 nan 8.190 nan 0.000 0.478 324 C N 5.851 125.041 119.300 -0.182 0.000 2.138 324 C HA 0.311 4.771 4.460 -0.000 0.000 0.398 324 C C 0.308 175.358 174.990 0.101 0.000 1.029 324 C CA -1.304 57.738 59.018 0.040 0.000 1.426 324 C CB -1.654 26.134 27.740 0.081 0.000 1.652 324 C HN 0.878 nan 8.230 nan 0.000 0.486 325 W N 2.249 123.706 121.300 0.261 0.000 2.253 325 W HA 0.317 4.977 4.660 -0.000 0.000 0.322 325 W C 1.153 177.878 176.519 0.344 0.000 1.342 325 W CA 0.323 57.824 57.345 0.260 0.000 1.218 325 W CB 0.014 29.638 29.460 0.274 0.000 1.205 325 W HN 0.813 nan 8.180 nan 0.000 0.551 326 H N 0.411 119.678 119.070 0.328 0.000 3.433 326 H HA -0.244 4.312 4.556 -0.000 0.000 0.197 326 H C 0.347 175.748 175.328 0.121 0.000 1.059 326 H CA 0.943 57.094 56.048 0.172 0.000 1.185 326 H CB -1.815 28.038 29.762 0.150 0.000 1.106 326 H HN 0.591 nan 8.280 nan 0.000 0.329 327 N N -0.034 118.801 118.700 0.225 0.000 2.738 327 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 327 N C -0.283 175.233 175.510 0.011 0.000 1.047 327 N CA 1.382 54.489 53.050 0.095 0.000 0.707 327 N CB -0.841 37.682 38.487 0.060 0.000 0.937 327 N HN 0.715 nan 8.380 nan 0.000 0.545 328 Q N -0.262 119.575 119.800 0.061 0.000 2.416 328 Q HA 0.842 5.182 4.340 -0.000 0.000 0.279 328 Q C -0.629 175.364 176.000 -0.010 0.000 1.101 328 Q CA -0.807 54.981 55.803 -0.025 0.000 0.830 328 Q CB 2.797 31.574 28.738 0.066 0.000 1.402 328 Q HN 0.365 nan 8.270 nan 0.000 0.445 329 L N 0.695 121.832 121.223 -0.144 0.000 2.643 329 L HA 0.514 4.854 4.340 -0.000 0.000 0.256 329 L C -2.021 174.734 176.870 -0.191 0.000 0.931 329 L CA -0.512 54.320 54.840 -0.012 0.000 0.895 329 L CB 1.451 43.525 42.059 0.026 0.000 1.430 329 L HN 0.567 nan 8.230 nan 0.000 0.419 330 F N 3.737 123.652 119.950 -0.058 0.000 2.507 330 F HA 0.624 5.151 4.527 -0.000 0.000 0.325 330 F C -0.213 175.580 175.800 -0.012 0.000 1.116 330 F CA -0.675 57.252 58.000 -0.122 0.000 0.930 330 F CB 2.228 41.069 39.000 -0.266 0.000 1.146 330 F HN 0.029 nan 8.300 nan 0.000 0.447 331 V N 2.906 122.943 119.914 0.205 0.000 2.334 331 V HA 0.357 4.477 4.120 -0.000 0.000 0.281 331 V C -0.335 175.895 176.094 0.227 0.000 1.016 331 V CA -0.592 61.856 62.300 0.247 0.000 0.832 331 V CB 1.490 33.488 31.823 0.291 0.000 0.999 331 V HN 0.779 nan 8.190 nan 0.000 0.439 332 T N 4.924 119.590 114.554 0.186 0.000 2.767 332 T HA 0.632 4.982 4.350 -0.000 0.000 0.288 332 T C -0.305 174.523 174.700 0.213 0.000 0.963 332 T CA -0.312 61.895 62.100 0.178 0.000 1.019 332 T CB 1.497 70.453 68.868 0.147 0.000 0.923 332 T HN 0.328 nan 8.240 nan 0.000 0.468 333 V N 3.908 123.941 119.914 0.198 0.000 2.760 333 V HA 0.589 4.709 4.120 -0.000 0.000 0.309 333 V C -0.711 175.493 176.094 0.185 0.000 1.077 333 V CA -0.701 61.723 62.300 0.207 0.000 0.910 333 V CB 2.385 34.303 31.823 0.159 0.000 1.008 333 V HN 0.705 nan 8.190 nan 0.000 0.424 334 V N 3.156 123.199 119.914 0.216 0.000 2.709 334 V HA 0.643 4.763 4.120 -0.000 0.000 0.308 334 V C -1.250 174.999 176.094 0.259 0.000 1.062 334 V CA -0.467 61.899 62.300 0.110 0.000 0.901 334 V CB 2.144 33.911 31.823 -0.094 0.000 1.003 334 V HN 0.994 nan 8.190 nan 0.000 0.425 335 D N 2.010 122.535 120.400 0.208 0.000 2.337 335 D HA 0.240 4.880 4.640 -0.000 0.000 0.238 335 D C 0.668 177.018 176.300 0.083 0.000 1.331 335 D CA 0.158 54.316 54.000 0.263 0.000 0.967 335 D CB 1.572 42.637 40.800 0.441 0.000 1.382 335 D HN 0.606 nan 8.370 nan 0.000 0.549 336 T N -0.775 113.787 114.554 0.014 0.000 3.144 336 T HA -0.009 4.341 4.350 -0.000 0.000 0.249 336 T C 1.619 176.296 174.700 -0.038 0.000 1.089 336 T CA 0.760 62.775 62.100 -0.142 0.000 0.989 336 T CB -0.149 68.615 68.868 -0.173 0.000 0.992 336 T HN 0.315 nan 8.240 nan 0.000 0.540 337 T N -0.060 114.516 114.554 0.036 0.000 3.085 337 T HA 0.126 4.476 4.350 -0.000 0.000 0.263 337 T C 0.934 175.659 174.700 0.042 0.000 1.127 337 T CA -0.080 62.049 62.100 0.048 0.000 1.103 337 T CB -0.315 68.588 68.868 0.059 0.000 0.921 337 T HN 0.437 nan 8.240 nan 0.000 0.510 338 R N 1.677 122.200 120.500 0.038 0.000 2.443 338 R HA 0.400 4.740 4.340 -0.000 0.000 0.287 338 R C -0.079 176.278 176.300 0.094 0.000 1.425 338 R CA -0.102 56.031 56.100 0.055 0.000 1.300 338 R CB 1.082 31.408 30.300 0.044 0.000 1.129 338 R HN 0.385 nan 8.270 nan 0.000 0.577 339 S N -1.184 114.548 115.700 0.052 0.000 2.809 339 S HA 0.026 4.496 4.470 -0.000 0.000 0.248 339 S C 0.404 175.014 174.600 0.017 0.000 1.071 339 S CA -0.700 57.493 58.200 -0.011 0.000 1.059 339 S CB 0.348 63.457 63.200 -0.152 0.000 0.923 339 S HN 0.365 nan 8.310 nan 0.000 0.516 340 T N 1.716 116.327 114.554 0.096 0.000 2.853 340 T HA 0.233 4.583 4.350 -0.000 0.000 0.298 340 T C -0.210 174.567 174.700 0.129 0.000 0.978 340 T CA -0.281 61.871 62.100 0.086 0.000 1.152 340 T CB -0.196 68.716 68.868 0.072 0.000 0.914 340 T HN 0.442 nan 8.240 nan 0.000 0.539 341 N N 2.785 121.527 118.700 0.070 0.000 2.439 341 N HA 0.298 5.038 4.740 -0.000 0.000 0.249 341 N C -0.242 175.294 175.510 0.042 0.000 1.003 341 N CA -0.664 52.424 53.050 0.062 0.000 0.942 341 N CB 0.822 39.304 38.487 -0.010 0.000 1.115 341 N HN 0.515 nan 8.380 nan 0.000 0.505 342 L N 2.092 123.345 121.223 0.050 0.000 2.499 342 L HA 0.063 4.403 4.340 -0.000 0.000 0.273 342 L C 0.700 177.583 176.870 0.023 0.000 1.195 342 L CA 0.343 55.202 54.840 0.033 0.000 0.882 342 L CB 0.139 42.214 42.059 0.027 0.000 1.133 342 L HN 0.454 nan 8.230 nan 0.000 0.483 343 T N 5.056 119.627 114.554 0.029 0.000 2.845 343 T HA 0.571 4.921 4.350 -0.000 0.000 0.288 343 T C -0.004 174.732 174.700 0.060 0.000 0.980 343 T CA -0.154 61.971 62.100 0.042 0.000 1.071 343 T CB 0.802 69.693 68.868 0.038 0.000 0.941 343 T HN 0.296 nan 8.240 nan 0.000 0.487 344 I N 3.364 123.993 120.570 0.098 0.000 2.499 344 I HA 0.447 4.617 4.170 -0.000 0.000 0.288 344 I C -0.223 176.003 176.117 0.182 0.000 1.048 344 I CA -0.860 60.500 61.300 0.100 0.000 1.062 344 I CB 1.625 39.654 38.000 0.049 0.000 1.238 344 I HN 0.752 nan 8.210 nan 0.000 0.426 345 C N 4.086 123.488 119.300 0.170 0.000 2.547 345 C HA 0.968 5.428 4.460 -0.000 0.000 0.313 345 C C -0.027 175.102 174.990 0.232 0.000 1.191 345 C CA -0.407 58.765 59.018 0.257 0.000 1.474 345 C CB 0.692 28.582 27.740 0.250 0.000 2.081 345 C HN 0.864 nan 8.230 nan 0.000 0.476 346 A N 3.009 125.969 122.820 0.233 0.000 2.330 346 A HA 0.942 5.262 4.320 -0.000 0.000 0.329 346 A C 0.231 177.860 177.584 0.075 0.000 1.135 346 A CA 0.044 52.158 52.037 0.128 0.000 0.817 346 A CB 1.154 20.180 19.000 0.044 0.000 1.269 346 A HN 1.958 nan 8.150 nan 0.000 0.469 347 S N -0.119 115.510 115.700 -0.119 0.000 2.693 347 S HA 0.463 4.933 4.470 -0.000 0.000 0.276 347 S C 0.613 175.075 174.600 -0.230 0.000 1.192 347 S CA 0.310 58.257 58.200 -0.421 0.000 0.994 347 S CB 1.099 63.841 63.200 -0.763 0.000 1.012 347 S HN 0.588 nan 8.310 nan 0.000 0.550 348 T N 0.788 115.183 114.554 -0.265 0.000 3.009 348 T HA 0.124 4.474 4.350 -0.000 0.000 0.258 348 T C 0.443 175.062 174.700 -0.136 0.000 1.063 348 T CA 0.694 62.710 62.100 -0.140 0.000 1.139 348 T CB -0.123 68.680 68.868 -0.109 0.000 0.890 348 T HN 0.540 nan 8.240 nan 0.000 0.471 349 Q N 0.718 120.407 119.800 -0.184 0.000 2.221 349 Q HA 0.417 4.757 4.340 -0.000 0.000 0.242 349 Q C 1.227 177.162 176.000 -0.109 0.000 0.940 349 Q CA -0.158 55.571 55.803 -0.123 0.000 0.896 349 Q CB 1.575 30.242 28.738 -0.117 0.000 1.226 349 Q HN 0.142 nan 8.270 nan 0.000 0.463 350 S N 1.320 116.979 115.700 -0.069 0.000 2.356 350 S HA -0.015 4.455 4.470 -0.000 0.000 0.219 350 S C -0.796 173.778 174.600 -0.043 0.000 1.036 350 S CA 0.612 58.781 58.200 -0.052 0.000 0.965 350 S CB -0.798 62.382 63.200 -0.034 0.000 0.864 350 S HN 0.476 nan 8.310 nan 0.000 0.471 351 P HA 0.167 nan 4.420 nan 0.000 0.222 351 P C -0.229 177.060 177.300 -0.019 0.000 1.147 351 P CA 0.636 63.724 63.100 -0.020 0.000 0.790 351 P CB -0.049 31.643 31.700 -0.014 0.000 0.780 352 V N -1.695 118.191 119.914 -0.047 0.000 6.341 352 V HA -0.106 4.014 4.120 -0.000 0.000 0.328 352 V C -2.136 173.967 176.094 0.014 0.000 0.496 352 V CA -0.897 61.376 62.300 -0.046 0.000 0.895 352 V CB -2.569 29.256 31.823 0.004 0.000 0.869 352 V HN 0.248 nan 8.190 nan 0.000 0.630 353 P HA 0.086 nan 4.420 nan 0.000 0.267 353 P C 1.265 178.618 177.300 0.088 0.000 1.195 353 P CA 0.972 64.096 63.100 0.040 0.000 0.773 353 P CB 0.681 32.397 31.700 0.027 0.000 0.837 354 G N 0.540 109.385 108.800 0.075 0.000 3.061 354 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.208 354 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.208 354 G C 0.504 175.467 174.900 0.104 0.000 1.175 354 G CA 0.239 45.390 45.100 0.086 0.000 0.812 354 G HN 0.540 nan 8.290 nan 0.000 0.523 355 Q N -0.275 119.597 119.800 0.119 0.000 2.325 355 Q HA 0.461 4.801 4.340 -0.000 0.000 0.270 355 Q C -1.391 174.728 176.000 0.198 0.000 1.020 355 Q CA -1.046 54.837 55.803 0.134 0.000 0.785 355 Q CB 1.356 30.145 28.738 0.085 0.000 1.259 355 Q HN 0.263 nan 8.270 nan 0.000 0.452 356 Y N 3.098 123.452 120.300 0.089 0.000 2.377 356 Y HA 0.373 4.923 4.550 -0.000 0.000 0.330 356 Y C -0.899 175.068 175.900 0.112 0.000 1.108 356 Y CA 0.281 58.444 58.100 0.105 0.000 1.308 356 Y CB 0.882 39.348 38.460 0.011 0.000 1.216 356 Y HN 0.591 nan 8.280 nan 0.000 0.518 357 D N 4.968 125.069 120.400 -0.498 0.000 2.478 357 D HA 0.330 4.970 4.640 -0.000 0.000 0.240 357 D C 0.390 176.393 176.300 -0.494 0.000 1.364 357 D CA 0.180 53.923 54.000 -0.430 0.000 0.987 357 D CB 1.461 42.196 40.800 -0.108 0.000 1.328 357 D HN 0.768 nan 8.370 nan 0.000 0.584 358 A N 2.795 125.249 122.820 -0.610 0.000 1.881 358 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 358 A C 2.069 179.636 177.584 -0.028 0.000 1.215 358 A CA 3.091 54.937 52.037 -0.319 0.000 0.648 358 A CB -1.345 17.593 19.000 -0.103 0.000 0.832 358 A HN 0.715 nan 8.150 nan 0.000 0.455 359 T N -2.323 112.217 114.554 -0.024 0.000 2.822 359 T HA -0.183 4.167 4.350 -0.000 0.000 0.270 359 T C 1.548 176.275 174.700 0.045 0.000 1.064 359 T CA 1.753 63.863 62.100 0.016 0.000 1.131 359 T CB -0.355 68.509 68.868 -0.007 0.000 0.858 359 T HN 0.454 nan 8.240 nan 0.000 0.483 360 K N 0.118 120.554 120.400 0.060 0.000 2.611 360 K HA 0.158 4.478 4.320 -0.000 0.000 0.193 360 K C -0.954 175.542 176.600 -0.174 0.000 1.026 360 K CA 0.055 56.318 56.287 -0.041 0.000 1.063 360 K CB -0.169 32.287 32.500 -0.073 0.000 0.839 360 K HN 0.416 nan 8.250 nan 0.000 0.505 361 F N -0.259 119.670 119.950 -0.035 0.000 2.601 361 F HA 0.381 4.908 4.527 -0.000 0.000 0.309 361 F C -0.294 175.526 175.800 0.034 0.000 1.089 361 F CA -0.956 57.055 58.000 0.018 0.000 0.940 361 F CB 1.636 40.657 39.000 0.035 0.000 1.273 361 F HN -0.417 nan 8.300 nan 0.000 0.450 362 K N 1.406 121.960 120.400 0.256 0.000 2.221 362 K HA 0.511 4.831 4.320 -0.000 0.000 0.258 362 K C -1.153 175.576 176.600 0.215 0.000 0.944 362 K CA -1.057 55.334 56.287 0.173 0.000 0.823 362 K CB 2.114 34.748 32.500 0.224 0.000 1.113 362 K HN 0.503 nan 8.250 nan 0.000 0.431 363 Q N 2.086 121.886 119.800 -0.001 0.000 2.307 363 Q HA 0.346 4.686 4.340 -0.000 0.000 0.262 363 Q C -1.703 174.232 176.000 -0.108 0.000 0.961 363 Q CA -0.284 55.546 55.803 0.045 0.000 0.882 363 Q CB 0.842 29.593 28.738 0.021 0.000 1.264 363 Q HN 0.371 nan 8.270 nan 0.000 0.446 364 Y N 0.016 120.330 120.300 0.023 0.000 2.598 364 Y HA 0.696 5.246 4.550 -0.000 0.000 0.340 364 Y C -0.258 175.613 175.900 -0.048 0.000 1.038 364 Y CA -1.014 57.081 58.100 -0.008 0.000 1.100 364 Y CB 2.551 41.009 38.460 -0.002 0.000 1.281 364 Y HN 0.471 nan 8.280 nan 0.000 0.488 365 S N 1.959 117.680 115.700 0.034 0.000 2.594 365 S HA 0.739 5.209 4.470 -0.000 0.000 0.296 365 S C -1.373 173.154 174.600 -0.120 0.000 1.124 365 S CA -0.709 57.435 58.200 -0.092 0.000 1.011 365 S CB 0.366 63.401 63.200 -0.276 0.000 1.016 365 S HN 0.539 nan 8.310 nan 0.000 0.485 366 R N 2.818 123.280 120.500 -0.062 0.000 2.673 366 R HA 0.408 4.748 4.340 -0.000 0.000 0.281 366 R C -1.172 175.148 176.300 0.034 0.000 0.991 366 R CA -0.635 55.445 56.100 -0.033 0.000 0.896 366 R CB 1.405 31.698 30.300 -0.011 0.000 1.201 366 R HN 0.864 nan 8.270 nan 0.000 0.457 367 H N 1.307 120.337 119.070 -0.065 0.000 2.572 367 H HA 0.591 5.147 4.556 -0.000 0.000 0.359 367 H C -1.006 174.326 175.328 0.007 0.000 1.134 367 H CA -0.765 55.267 56.048 -0.027 0.000 1.187 367 H CB 1.929 31.680 29.762 -0.018 0.000 1.597 367 H HN 0.175 nan 8.280 nan 0.000 0.524 368 V N 3.256 122.854 119.914 -0.527 0.000 2.919 368 V HA 0.268 4.388 4.120 -0.000 0.000 0.316 368 V C -0.564 175.249 176.094 -0.469 0.000 1.077 368 V CA -0.652 61.440 62.300 -0.347 0.000 0.977 368 V CB 2.010 33.734 31.823 -0.166 0.000 1.039 368 V HN 0.768 nan 8.190 nan 0.000 0.441 369 E N 1.561 121.675 120.200 -0.143 0.000 2.290 369 E HA 0.438 4.788 4.350 -0.000 0.000 0.274 369 E C -1.222 175.439 176.600 0.102 0.000 0.889 369 E CA -0.434 55.958 56.400 -0.012 0.000 0.760 369 E CB 1.829 31.640 29.700 0.186 0.000 1.206 369 E HN 0.725 nan 8.360 nan 0.000 0.419 370 E N 4.457 124.634 120.200 -0.040 0.000 2.325 370 E HA 0.269 4.619 4.350 -0.000 0.000 0.248 370 E C -1.254 175.243 176.600 -0.172 0.000 0.912 370 E CA -0.466 55.924 56.400 -0.018 0.000 0.782 370 E CB 0.491 30.162 29.700 -0.048 0.000 1.264 370 E HN 0.421 nan 8.360 nan 0.000 0.417 371 Y N 1.600 121.837 120.300 -0.105 0.000 2.596 371 Y HA 0.467 5.017 4.550 -0.000 0.000 0.326 371 Y C 0.175 175.919 175.900 -0.261 0.000 1.167 371 Y CA -0.553 57.404 58.100 -0.238 0.000 1.246 371 Y CB 1.348 39.569 38.460 -0.399 0.000 1.347 371 Y HN 0.438 nan 8.280 nan 0.000 0.515 372 D N 0.815 121.119 120.400 -0.159 0.000 2.688 372 D HA 0.215 4.855 4.640 -0.000 0.000 0.210 372 D C -1.988 174.144 176.300 -0.279 0.000 1.333 372 D CA -0.236 53.651 54.000 -0.188 0.000 0.920 372 D CB 0.922 41.648 40.800 -0.123 0.000 1.554 372 D HN 0.512 nan 8.370 nan 0.000 0.579 373 L N 2.388 123.410 121.223 -0.335 0.000 2.309 373 L HA 0.513 4.853 4.340 -0.000 0.000 0.282 373 L C 0.252 176.858 176.870 -0.440 0.000 1.036 373 L CA -0.632 53.941 54.840 -0.444 0.000 0.806 373 L CB 1.693 43.545 42.059 -0.345 0.000 1.220 373 L HN 0.326 nan 8.230 nan 0.000 0.429 374 Q N 2.606 121.959 119.800 -0.745 0.000 2.359 374 Q HA 0.683 5.023 4.340 -0.000 0.000 0.274 374 Q C -1.663 173.741 176.000 -0.993 0.000 1.074 374 Q CA -0.586 54.828 55.803 -0.648 0.000 0.810 374 Q CB 3.107 31.597 28.738 -0.414 0.000 1.342 374 Q HN 0.351 nan 8.270 nan 0.000 0.427 375 F N 0.564 120.100 119.950 -0.689 0.000 2.664 375 F HA 0.585 5.112 4.527 -0.000 0.000 0.317 375 F C -0.705 174.561 175.800 -0.889 0.000 1.108 375 F CA -1.001 56.517 58.000 -0.804 0.000 0.957 375 F CB 1.435 39.776 39.000 -1.098 0.000 1.365 375 F HN 0.268 nan 8.300 nan 0.000 0.475 376 I N 2.175 122.354 120.570 -0.652 0.000 2.468 376 I HA 0.322 4.492 4.170 -0.000 0.000 0.285 376 I C -1.191 174.569 176.117 -0.595 0.000 1.039 376 I CA -0.643 60.317 61.300 -0.566 0.000 1.074 376 I CB 1.295 38.999 38.000 -0.493 0.000 1.228 376 I HN 0.409 nan 8.210 nan 0.000 0.436 377 F N 4.102 123.902 119.950 -0.249 0.000 2.450 377 F HA 0.461 4.988 4.527 -0.000 0.000 0.332 377 F C 0.618 176.498 175.800 0.133 0.000 1.093 377 F CA -0.597 57.308 58.000 -0.157 0.000 1.003 377 F CB 1.732 40.422 39.000 -0.518 0.000 1.151 377 F HN 0.400 nan 8.300 nan 0.000 0.474 378 Q N 3.297 123.356 119.800 0.432 0.000 2.316 378 Q HA 0.475 4.815 4.340 -0.000 0.000 0.264 378 Q C -1.487 174.699 176.000 0.309 0.000 0.987 378 Q CA -1.142 54.793 55.803 0.220 0.000 0.852 378 Q CB 1.903 30.664 28.738 0.039 0.000 1.287 378 Q HN 0.699 nan 8.270 nan 0.000 0.448 379 L N 3.652 125.019 121.223 0.240 0.000 2.380 379 L HA 0.401 4.741 4.340 -0.000 0.000 0.273 379 L C -1.349 175.446 176.870 -0.125 0.000 1.138 379 L CA 0.332 55.196 54.840 0.039 0.000 0.832 379 L CB 0.946 43.008 42.059 0.005 0.000 1.124 379 L HN 0.848 nan 8.230 nan 0.000 0.454 380 C N 1.953 121.119 119.300 -0.223 0.000 2.994 380 C HA 0.831 5.291 4.460 -0.000 0.000 0.304 380 C C -0.126 174.732 174.990 -0.221 0.000 1.273 380 C CA -0.438 58.473 59.018 -0.177 0.000 1.537 380 C CB 2.148 29.806 27.740 -0.138 0.000 2.001 380 C HN 0.916 nan 8.230 nan 0.000 0.471 381 T N -0.230 114.237 114.554 -0.145 0.000 2.863 381 T HA 0.788 5.138 4.350 -0.000 0.000 0.285 381 T C -0.980 173.701 174.700 -0.032 0.000 1.009 381 T CA -0.423 61.603 62.100 -0.123 0.000 0.989 381 T CB 0.869 69.693 68.868 -0.074 0.000 1.004 381 T HN 0.503 nan 8.240 nan 0.000 0.455 382 I N 2.565 123.128 120.570 -0.011 0.000 2.362 382 I HA 0.292 4.462 4.170 -0.000 0.000 0.289 382 I C 0.131 176.288 176.117 0.066 0.000 0.994 382 I CA -0.803 60.560 61.300 0.106 0.000 1.158 382 I CB 2.039 40.172 38.000 0.221 0.000 1.315 382 I HN 0.689 nan 8.210 nan 0.000 0.451 383 T N 7.336 121.946 114.554 0.093 0.000 2.749 383 T HA 0.364 4.714 4.350 -0.000 0.000 0.295 383 T C 0.186 174.936 174.700 0.082 0.000 0.936 383 T CA -0.355 61.783 62.100 0.063 0.000 1.060 383 T CB 0.360 69.262 68.868 0.056 0.000 0.904 383 T HN 0.293 nan 8.240 nan 0.000 0.500 384 L N 5.249 126.508 121.223 0.060 0.000 2.363 384 L HA 0.283 4.623 4.340 -0.000 0.000 0.286 384 L C 1.317 178.224 176.870 0.063 0.000 1.106 384 L CA -0.451 54.441 54.840 0.086 0.000 0.859 384 L CB -0.175 41.931 42.059 0.080 0.000 1.223 384 L HN 0.776 nan 8.230 nan 0.000 0.446 385 T N -0.732 113.861 114.554 0.064 0.000 2.870 385 T HA 0.594 4.944 4.350 -0.000 0.000 0.277 385 T C 1.161 175.886 174.700 0.042 0.000 1.000 385 T CA -0.079 62.048 62.100 0.044 0.000 0.982 385 T CB 1.751 70.641 68.868 0.037 0.000 1.249 385 T HN 0.389 nan 8.240 nan 0.000 0.589 386 A N 1.409 124.247 122.820 0.030 0.000 1.842 386 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 386 A C 1.879 179.480 177.584 0.028 0.000 1.206 386 A CA 2.481 54.534 52.037 0.026 0.000 0.630 386 A CB -1.691 17.321 19.000 0.019 0.000 0.839 386 A HN 1.007 nan 8.150 nan 0.000 0.447 387 D N -0.347 120.069 120.400 0.027 0.000 2.144 387 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 387 D C 1.576 177.898 176.300 0.037 0.000 0.984 387 D CA 1.244 55.263 54.000 0.031 0.000 0.834 387 D CB -0.862 39.952 40.800 0.023 0.000 0.955 387 D HN 0.206 nan 8.370 nan 0.000 0.465 388 V N 0.626 120.555 119.914 0.026 0.000 2.255 388 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 388 V C 2.627 178.752 176.094 0.052 0.000 1.051 388 V CA 2.036 64.346 62.300 0.017 0.000 1.018 388 V CB -0.595 31.265 31.823 0.061 0.000 0.641 388 V HN 0.215 nan 8.190 nan 0.000 0.445 389 M N 0.746 120.384 119.600 0.063 0.000 2.149 389 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 389 M C 2.349 178.654 176.300 0.007 0.000 1.064 389 M CA 2.277 57.607 55.300 0.051 0.000 1.102 389 M CB -0.520 32.113 32.600 0.055 0.000 1.369 389 M HN 0.619 nan 8.290 nan 0.000 0.408 390 S N -0.861 114.850 115.700 0.018 0.000 2.428 390 S HA -0.147 4.323 4.470 -0.000 0.000 0.230 390 S C 1.754 176.336 174.600 -0.030 0.000 1.014 390 S CA 0.547 58.743 58.200 -0.006 0.000 0.957 390 S CB -0.770 62.435 63.200 0.008 0.000 0.784 390 S HN 0.568 nan 8.310 nan 0.000 0.499 391 Y N 2.559 122.795 120.300 -0.107 0.000 2.109 391 Y HA 0.084 4.634 4.550 -0.000 0.000 0.285 391 Y C 2.057 177.847 175.900 -0.184 0.000 1.131 391 Y CA 1.579 59.592 58.100 -0.145 0.000 1.121 391 Y CB -0.366 37.963 38.460 -0.219 0.000 0.987 391 Y HN 0.169 nan 8.280 nan 0.000 0.495 392 I N 0.522 121.039 120.570 -0.088 0.000 2.567 392 I HA -0.265 3.905 4.170 -0.000 0.000 0.257 392 I C 2.194 178.129 176.117 -0.304 0.000 1.184 392 I CA 1.399 62.564 61.300 -0.225 0.000 1.451 392 I CB -0.482 37.431 38.000 -0.144 0.000 1.089 392 I HN 0.390 nan 8.210 nan 0.000 0.441 393 Q N 1.410 121.081 119.800 -0.215 0.000 1.990 393 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 393 Q C 2.319 178.188 176.000 -0.218 0.000 0.980 393 Q CA 2.442 58.131 55.803 -0.190 0.000 0.832 393 Q CB -0.135 28.533 28.738 -0.117 0.000 0.897 393 Q HN 0.371 nan 8.270 nan 0.000 0.427 394 S N 0.565 116.132 115.700 -0.222 0.000 2.359 394 S HA -0.256 4.214 4.470 -0.000 0.000 0.224 394 S C 1.878 176.313 174.600 -0.275 0.000 1.035 394 S CA 1.628 59.705 58.200 -0.206 0.000 1.018 394 S CB -0.569 62.519 63.200 -0.188 0.000 0.876 394 S HN 0.554 nan 8.310 nan 0.000 0.448 395 M N 1.221 120.544 119.600 -0.461 0.000 2.082 395 M HA -0.117 4.363 4.480 -0.000 0.000 0.258 395 M C 0.418 176.345 176.300 -0.622 0.000 1.071 395 M CA 1.694 56.547 55.300 -0.744 0.000 1.103 395 M CB -0.021 32.050 32.600 -0.883 0.000 1.307 395 M HN 0.330 nan 8.290 nan 0.000 0.409 396 N N -0.502 117.907 118.700 -0.485 0.000 3.112 396 N HA 0.057 4.797 4.740 -0.000 0.000 0.231 396 N C 0.311 175.630 175.510 -0.319 0.000 1.385 396 N CA 0.275 53.102 53.050 -0.371 0.000 0.790 396 N CB 0.805 39.059 38.487 -0.388 0.000 1.563 396 N HN 0.297 nan 8.380 nan 0.000 0.613 397 S N 0.460 116.015 115.700 -0.241 0.000 2.402 397 S HA -0.228 4.242 4.470 -0.000 0.000 0.233 397 S C 1.899 176.371 174.600 -0.213 0.000 1.030 397 S CA 1.719 59.794 58.200 -0.209 0.000 1.003 397 S CB -0.412 62.699 63.200 -0.148 0.000 0.813 397 S HN 0.612 nan 8.310 nan 0.000 0.477 398 S N 2.126 117.727 115.700 -0.165 0.000 2.469 398 S HA 0.042 4.512 4.470 -0.000 0.000 0.238 398 S C 1.709 176.140 174.600 -0.282 0.000 0.998 398 S CA 0.962 59.093 58.200 -0.116 0.000 0.957 398 S CB -0.917 62.307 63.200 0.041 0.000 0.764 398 S HN 0.607 nan 8.310 nan 0.000 0.514 399 I N 0.935 121.258 120.570 -0.413 0.000 2.252 399 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 399 I C 2.233 177.736 176.117 -1.023 0.000 1.102 399 I CA 1.291 62.110 61.300 -0.802 0.000 1.385 399 I CB -0.290 37.196 38.000 -0.857 0.000 1.064 399 I HN 0.301 nan 8.210 nan 0.000 0.414 400 L N -0.157 120.670 121.223 -0.661 0.000 2.375 400 L HA -0.040 4.300 4.340 -0.000 0.000 0.215 400 L C 2.357 179.076 176.870 -0.252 0.000 1.108 400 L CA 0.528 55.087 54.840 -0.468 0.000 0.830 400 L CB -0.238 41.703 42.059 -0.196 0.000 0.959 400 L HN 0.215 nan 8.230 nan 0.000 0.457 401 E N 0.375 120.423 120.200 -0.253 0.000 2.047 401 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 401 E C 1.346 177.878 176.600 -0.113 0.000 0.987 401 E CA 1.179 57.498 56.400 -0.136 0.000 0.799 401 E CB 0.213 29.842 29.700 -0.119 0.000 0.752 401 E HN 0.387 nan 8.360 nan 0.000 0.449 402 D N -0.488 119.787 120.400 -0.209 0.000 2.311 402 D HA -0.172 4.468 4.640 -0.000 0.000 0.212 402 D C 0.990 177.321 176.300 0.051 0.000 0.972 402 D CA 0.658 54.582 54.000 -0.126 0.000 0.887 402 D CB -0.125 40.530 40.800 -0.242 0.000 0.915 402 D HN 0.393 nan 8.370 nan 0.000 0.497 403 W N 1.006 122.268 121.300 -0.063 0.000 3.290 403 W HA 0.168 4.828 4.660 0.000 0.000 0.287 403 W C 0.527 177.031 176.519 -0.024 0.000 1.288 403 W CA -0.406 56.918 57.345 -0.035 0.000 1.725 403 W CB -0.784 28.664 29.460 -0.021 0.000 1.103 403 W HN -0.129 nan 8.180 nan 0.000 0.670 439 K N 0.859 121.253 120.400 -0.010 0.000 2.240 439 K HA 0.301 4.621 4.320 -0.000 0.000 0.271 439 K C -0.997 175.579 176.600 -0.039 0.000 1.018 439 K CA -0.443 55.832 56.287 -0.020 0.000 0.874 439 K CB 0.631 33.114 32.500 -0.027 0.000 1.098 439 K HN 0.339 nan 8.250 nan 0.000 0.458 440 D N 4.925 125.306 120.400 -0.032 0.000 2.280 440 D HA 0.118 4.758 4.640 -0.000 0.000 0.243 440 D C -1.534 174.685 176.300 -0.136 0.000 1.129 440 D CA -1.899 52.060 54.000 -0.069 0.000 0.848 440 D CB 1.403 42.215 40.800 0.019 0.000 1.107 440 D HN 0.269 nan 8.370 nan 0.000 0.471 441 P HA -0.139 nan 4.420 nan 0.000 0.226 441 P C 0.363 177.490 177.300 -0.288 0.000 1.146 441 P CA 0.973 63.849 63.100 -0.374 0.000 0.773 441 P CB -0.097 31.250 31.700 -0.588 0.000 0.772 442 Y N -0.979 119.372 120.300 0.084 0.000 2.607 442 Y HA 0.172 4.722 4.550 -0.000 0.000 0.266 442 Y C 1.528 177.496 175.900 0.114 0.000 1.178 442 Y CA -0.629 57.562 58.100 0.151 0.000 1.226 442 Y CB -0.133 38.545 38.460 0.363 0.000 1.144 442 Y HN -0.144 nan 8.280 nan 0.000 0.528 443 D N 0.526 121.013 120.400 0.146 0.000 2.371 443 D HA -0.082 4.558 4.640 -0.000 0.000 0.221 443 D C 1.638 177.964 176.300 0.045 0.000 0.986 443 D CA 0.819 54.878 54.000 0.097 0.000 0.899 443 D CB 0.262 41.094 40.800 0.053 0.000 0.902 443 D HN 0.321 nan 8.370 nan 0.000 0.530 444 K N -0.079 120.337 120.400 0.027 0.000 2.211 444 K HA 0.105 4.425 4.320 -0.000 0.000 0.201 444 K C 1.051 177.602 176.600 -0.082 0.000 1.052 444 K CA 0.106 56.382 56.287 -0.018 0.000 0.973 444 K CB 0.396 32.889 32.500 -0.013 0.000 0.766 444 K HN 0.177 nan 8.250 nan 0.000 0.466 445 L N 2.266 123.405 121.223 -0.139 0.000 2.436 445 L HA 0.127 4.467 4.340 -0.000 0.000 0.265 445 L C 0.411 176.958 176.870 -0.538 0.000 1.168 445 L CA -0.657 53.958 54.840 -0.376 0.000 0.815 445 L CB 0.195 41.902 42.059 -0.587 0.000 1.109 445 L HN -0.228 nan 8.230 nan 0.000 0.462 446 K N 2.809 122.899 120.400 -0.516 0.000 2.312 446 K HA 0.497 4.817 4.320 -0.000 0.000 0.287 446 K C -0.833 175.484 176.600 -0.471 0.000 1.062 446 K CA 0.357 56.428 56.287 -0.359 0.000 0.934 446 K CB 0.374 32.767 32.500 -0.178 0.000 1.027 446 K HN 0.321 nan 8.250 nan 0.000 0.478 447 F N 0.513 120.492 119.950 0.049 0.000 2.613 447 F HA 0.282 4.809 4.527 -0.000 0.000 0.314 447 F C -0.226 175.637 175.800 0.104 0.000 1.075 447 F CA -1.300 56.742 58.000 0.070 0.000 0.945 447 F CB 1.619 40.675 39.000 0.094 0.000 1.310 447 F HN 0.363 nan 8.300 nan 0.000 0.467 448 W N 4.578 125.938 121.300 0.100 0.000 2.357 448 W HA 0.283 4.943 4.660 -0.000 0.000 0.317 448 W C -1.007 175.574 176.519 0.103 0.000 1.101 448 W CA -1.035 56.332 57.345 0.037 0.000 1.380 448 W CB 0.322 29.712 29.460 -0.116 0.000 1.266 448 W HN 0.418 nan 8.180 nan 0.000 0.419 449 N N 5.016 124.015 118.700 0.498 0.000 2.430 449 N HA 0.143 4.883 4.740 -0.000 0.000 0.265 449 N C -0.949 174.751 175.510 0.318 0.000 1.100 449 N CA -0.007 53.229 53.050 0.310 0.000 0.961 449 N CB 1.924 40.528 38.487 0.194 0.000 1.075 449 N HN 0.066 nan 8.380 nan 0.000 0.478 450 V N 2.282 122.299 119.914 0.171 0.000 2.378 450 V HA 0.108 4.228 4.120 -0.000 0.000 0.288 450 V C 0.033 176.150 176.094 0.038 0.000 1.016 450 V CA -0.863 61.504 62.300 0.111 0.000 0.840 450 V CB 1.718 33.557 31.823 0.025 0.000 0.994 450 V HN 0.521 nan 8.190 nan 0.000 0.431 451 D N 5.030 125.461 120.400 0.053 0.000 2.359 451 D HA 0.317 4.957 4.640 -0.000 0.000 0.230 451 D C 0.253 176.561 176.300 0.014 0.000 1.118 451 D CA -0.158 53.852 54.000 0.017 0.000 0.844 451 D CB 1.602 42.422 40.800 0.034 0.000 1.059 451 D HN 0.482 nan 8.370 nan 0.000 0.493 452 L N 3.898 125.111 121.223 -0.017 0.000 2.872 452 L HA 0.185 4.525 4.340 -0.000 0.000 0.245 452 L C 1.908 178.784 176.870 0.010 0.000 1.211 452 L CA -0.200 54.660 54.840 0.034 0.000 1.013 452 L CB 0.285 42.386 42.059 0.070 0.000 1.326 452 L HN 0.166 nan 8.230 nan 0.000 0.525 453 K N 0.468 120.828 120.400 -0.067 0.000 2.147 453 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 453 K C 0.817 177.396 176.600 -0.034 0.000 1.049 453 K CA 0.892 57.091 56.287 -0.147 0.000 0.936 453 K CB 0.200 32.643 32.500 -0.095 0.000 0.722 453 K HN 0.225 nan 8.250 nan 0.000 0.446 454 E N 0.580 120.810 120.200 0.049 0.000 2.411 454 E HA 0.061 4.411 4.350 -0.000 0.000 0.204 454 E C 0.230 176.923 176.600 0.154 0.000 1.059 454 E CA 0.183 56.648 56.400 0.108 0.000 1.112 454 E CB 0.624 30.377 29.700 0.089 0.000 1.168 454 E HN 0.175 nan 8.360 nan 0.000 0.445 455 K N 0.007 120.531 120.400 0.206 0.000 2.517 455 K HA 0.180 4.500 4.320 -0.000 0.000 0.210 455 K C 0.020 176.804 176.600 0.306 0.000 1.166 455 K CA -0.277 56.146 56.287 0.228 0.000 1.030 455 K CB 0.743 33.342 32.500 0.166 0.000 0.974 455 K HN -0.048 nan 8.250 nan 0.000 0.585 456 F N 1.738 121.735 119.950 0.077 0.000 2.429 456 F HA 0.254 4.781 4.527 -0.000 0.000 0.348 456 F C 0.924 176.916 175.800 0.320 0.000 1.109 456 F CA -0.308 57.768 58.000 0.127 0.000 1.232 456 F CB 1.281 40.262 39.000 -0.033 0.000 1.157 456 F HN -0.220 nan 8.300 nan 0.000 0.564 457 S N 3.082 119.040 115.700 0.430 0.000 2.588 457 S HA 0.569 5.039 4.470 -0.000 0.000 0.275 457 S C -0.054 174.687 174.600 0.234 0.000 1.130 457 S CA -0.675 57.746 58.200 0.367 0.000 0.855 457 S CB 1.180 64.555 63.200 0.291 0.000 1.116 457 S HN 0.650 nan 8.310 nan 0.000 0.472 458 L N 1.166 122.452 121.223 0.105 0.000 2.590 458 L HA 0.306 4.646 4.340 -0.000 0.000 0.227 458 L C -0.532 176.329 176.870 -0.016 0.000 1.099 458 L CA 0.198 54.959 54.840 -0.133 0.000 0.872 458 L CB 0.161 42.104 42.059 -0.192 0.000 1.088 458 L HN 0.659 nan 8.230 nan 0.000 0.479 459 D N 0.182 120.631 120.400 0.082 0.000 2.499 459 D HA 0.159 4.799 4.640 -0.000 0.000 0.225 459 D C 1.156 177.530 176.300 0.124 0.000 1.124 459 D CA -0.277 53.767 54.000 0.074 0.000 0.938 459 D CB 0.476 41.299 40.800 0.040 0.000 1.014 459 D HN 0.015 nan 8.370 nan 0.000 0.517 460 L N 0.408 121.701 121.223 0.116 0.000 2.083 460 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 460 L C 2.088 179.037 176.870 0.131 0.000 1.083 460 L CA 1.078 56.014 54.840 0.160 0.000 0.752 460 L CB -0.406 41.737 42.059 0.140 0.000 0.899 460 L HN 0.415 nan 8.230 nan 0.000 0.433 461 D N 0.289 120.729 120.400 0.066 0.000 2.311 461 D HA -0.247 4.393 4.640 -0.000 0.000 0.204 461 D C 1.728 177.995 176.300 -0.054 0.000 1.000 461 D CA 1.289 55.298 54.000 0.014 0.000 0.910 461 D CB 0.188 40.986 40.800 -0.003 0.000 0.900 461 D HN 0.426 nan 8.370 nan 0.000 0.463 462 Q N -0.923 118.799 119.800 -0.129 0.000 2.360 462 Q HA 0.022 4.362 4.340 -0.000 0.000 0.202 462 Q C -0.380 175.205 176.000 -0.690 0.000 0.915 462 Q CA 0.293 55.845 55.803 -0.418 0.000 0.943 462 Q CB 0.441 28.819 28.738 -0.599 0.000 1.064 462 Q HN 0.445 nan 8.270 nan 0.000 0.511 463 Y N -0.098 120.093 120.300 -0.182 0.000 2.462 463 Y HA 0.234 4.784 4.550 -0.000 0.000 0.346 463 Y C -1.526 174.340 175.900 -0.056 0.000 0.976 463 Y CA -2.422 55.552 58.100 -0.210 0.000 1.044 463 Y CB 1.339 39.412 38.460 -0.645 0.000 1.230 463 Y HN -0.160 nan 8.280 nan 0.000 0.455 464 P HA -0.315 nan 4.420 nan 0.000 0.210 464 P C 1.751 179.136 177.300 0.142 0.000 1.151 464 P CA 1.763 64.924 63.100 0.103 0.000 0.949 464 P CB 0.462 32.213 31.700 0.085 0.000 0.786 465 L N -0.741 120.582 121.223 0.166 0.000 2.089 465 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 465 L C 2.713 179.758 176.870 0.292 0.000 1.079 465 L CA 2.247 57.193 54.840 0.175 0.000 0.758 465 L CB -1.306 40.785 42.059 0.053 0.000 0.891 465 L HN 0.133 nan 8.230 nan 0.000 0.433 466 G N -0.759 108.230 108.800 0.315 0.000 2.404 466 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.215 466 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.215 466 G C 1.596 176.629 174.900 0.222 0.000 1.174 466 G CA 0.526 45.793 45.100 0.277 0.000 0.780 466 G HN 0.334 nan 8.290 nan 0.000 0.537 467 R N 0.514 121.105 120.500 0.151 0.000 2.083 467 R HA -0.041 4.299 4.340 -0.000 0.000 0.237 467 R C 2.634 178.983 176.300 0.082 0.000 1.137 467 R CA 1.483 57.635 56.100 0.086 0.000 0.951 467 R CB -0.303 30.026 30.300 0.049 0.000 0.851 467 R HN 0.284 nan 8.270 nan 0.000 0.434 468 K N 0.030 120.517 120.400 0.144 0.000 2.113 468 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 468 K C 1.858 178.533 176.600 0.124 0.000 1.047 468 K CA 1.572 57.970 56.287 0.186 0.000 0.928 468 K CB -0.292 32.380 32.500 0.287 0.000 0.716 468 K HN 0.095 nan 8.250 nan 0.000 0.446 469 F N 1.477 121.438 119.950 0.018 0.000 2.186 469 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 469 F C 1.642 177.211 175.800 -0.385 0.000 1.090 469 F CA 1.184 58.958 58.000 -0.376 0.000 1.307 469 F CB -0.078 38.808 39.000 -0.191 0.000 1.019 469 F HN -0.098 nan 8.300 nan 0.000 0.489 470 L N -0.870 120.221 121.223 -0.220 0.000 2.093 470 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 470 L C 2.346 179.026 176.870 -0.317 0.000 1.085 470 L CA 0.817 55.494 54.840 -0.270 0.000 0.755 470 L CB -0.717 41.305 42.059 -0.062 0.000 0.904 470 L HN 0.025 nan 8.230 nan 0.000 0.435 471 V N -0.326 119.442 119.914 -0.244 0.000 2.216 471 V HA -0.333 3.787 4.120 -0.000 0.000 0.243 471 V C 2.467 178.367 176.094 -0.323 0.000 1.044 471 V CA 2.062 64.233 62.300 -0.216 0.000 0.995 471 V CB -0.711 31.036 31.823 -0.126 0.000 0.633 471 V HN 0.554 nan 8.190 nan 0.000 0.446 472 Q N 0.283 119.816 119.800 -0.445 0.000 2.308 472 Q HA -0.233 4.107 4.340 -0.000 0.000 0.209 472 Q C 1.955 177.616 176.000 -0.566 0.000 0.985 472 Q CA 2.143 57.627 55.803 -0.531 0.000 0.881 472 Q CB -0.248 27.954 28.738 -0.895 0.000 0.917 472 Q HN 0.652 nan 8.270 nan 0.000 0.443 473 A N -1.072 121.350 122.820 -0.662 0.000 2.123 473 A HA 0.307 4.627 4.320 -0.000 0.000 0.214 473 A C 1.666 179.054 177.584 -0.326 0.000 1.152 473 A CA 1.396 53.086 52.037 -0.578 0.000 0.728 473 A CB 0.003 18.540 19.000 -0.773 0.000 0.814 473 A HN 0.598 nan 8.150 nan 0.000 0.464 474 G N -0.948 107.690 108.800 -0.271 0.000 2.697 474 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.200 474 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.200 474 G C 0.428 175.244 174.900 -0.140 0.000 1.106 474 G CA -0.144 44.852 45.100 -0.173 0.000 0.748 474 G HN 0.999 nan 8.290 nan 0.000 0.503 475 L N 0.000 121.139 121.223 -0.140 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.783 54.840 -0.095 0.000 0.813 475 L CB 0.000 42.016 42.059 -0.072 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502