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 2gse_1_D DATA FIRST_RESID 15 DATA SEQUENCE DRLLIKGGKI VNDDQSFYAD IYMEDGLIKQ IGENLIVPGG VKTIEAHSRM DATA SEQUENCE VIPGGIDVHT RFQMPDQGMT SADDFFQGTK AALAGGTTMI IDHVVPEPGT DATA SEQUENCE SLLAAFDQWR EWADSKSCCD YSLHVDISEW HKGIQEEMEA LVKDHGVNSF DATA SEQUENCE LVYMAFKDRF QLTDCQIYEV LSVIRDIGAI AQVHAENGDI IAEEQQRILD DATA SEQUENCE LGITGPEGHV LSRPEEVEAE AVNRAITIAN QTNCPLYITK VMSKSSAEVI DATA SEQUENCE AQARKKGTVV YGEPITASLG TDGSHYWSKN WAKAAAFVTS PPLSPDPTTP DATA SEQUENCE DFLNSLLSCG DLQVTGSAHC TFNTAQKAVG KDNFTLIPEG TNGTEERMSV DATA SEQUENCE IWDKAVVTGK MDENQFVAVT STNAAKVFNL YPRKGRIAVG SDADLVIWDP DATA SEQUENCE DSVKTISAKT HNSSLEYNIF EGMECRGSPL VVISQGKIVL EDGTLHVTEG DATA SEQUENCE SGRYIPRKPF PDFVYKRIKA RSRLAE 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 15 D HA 0.000 nan 4.640 nan 0.000 0.175 15 D C 0.000 176.283 176.300 -0.028 0.000 2.045 15 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 15 D CB 0.000 40.795 40.800 -0.009 0.000 0.688 16 R N 0.926 121.422 120.500 -0.007 0.000 2.560 16 R HA 0.775 5.162 4.340 0.077 0.000 0.270 16 R C -0.476 175.819 176.300 -0.008 0.000 1.074 16 R CA -0.472 55.617 56.100 -0.018 0.000 1.140 16 R CB 0.689 31.060 30.300 0.118 0.000 1.073 16 R HN 0.325 nan 8.270 nan 0.000 0.527 17 L N 1.333 122.532 121.223 -0.040 0.000 2.513 17 L HA 0.494 4.880 4.340 0.077 0.000 0.261 17 L C -2.012 174.900 176.870 0.071 0.000 0.945 17 L CA -0.751 54.094 54.840 0.009 0.000 0.848 17 L CB 2.105 44.149 42.059 -0.025 0.000 1.334 17 L HN 0.478 nan 8.230 nan 0.000 0.407 18 L N 4.999 126.297 121.223 0.124 0.000 2.346 18 L HA 0.689 5.075 4.340 0.077 0.000 0.276 18 L C -1.087 175.825 176.870 0.070 0.000 1.006 18 L CA -0.122 54.811 54.840 0.155 0.000 0.817 18 L CB 1.697 43.852 42.059 0.160 0.000 1.272 18 L HN 0.536 nan 8.230 nan 0.000 0.421 19 I N 4.456 125.061 120.570 0.057 0.000 2.362 19 I HA 0.401 4.618 4.170 0.077 0.000 0.289 19 I C -0.237 175.895 176.117 0.025 0.000 0.994 19 I CA -0.538 60.776 61.300 0.023 0.000 1.158 19 I CB 1.346 39.354 38.000 0.013 0.000 1.315 19 I HN 0.488 nan 8.210 nan 0.000 0.451 20 K N 3.414 123.814 120.400 -0.001 0.000 2.156 20 K HA 0.593 4.959 4.320 0.077 0.000 0.250 20 K C 0.683 177.276 176.600 -0.012 0.000 0.955 20 K CA -0.350 55.937 56.287 0.000 0.000 0.855 20 K CB 1.720 34.210 32.500 -0.017 0.000 1.101 20 K HN 0.829 nan 8.250 nan 0.000 0.434 21 G N 1.036 109.853 108.800 0.027 0.000 2.198 21 G HA2 -0.233 3.773 3.960 0.077 0.000 0.260 21 G HA3 -0.233 3.773 3.960 0.077 0.000 0.260 21 G C 0.283 175.240 174.900 0.095 0.000 1.025 21 G CA 0.157 45.288 45.100 0.052 0.000 0.769 21 G HN 0.800 nan 8.290 nan 0.000 0.507 22 G N -0.961 107.889 108.800 0.083 0.000 2.462 22 G HA2 0.581 4.587 3.960 0.077 0.000 0.319 22 G HA3 0.581 4.587 3.960 0.077 0.000 0.319 22 G C -0.111 174.814 174.900 0.042 0.000 1.171 22 G CA -0.327 44.808 45.100 0.059 0.000 0.920 22 G HN 0.444 nan 8.290 nan 0.000 0.499 23 K N 1.723 122.070 120.400 -0.087 0.000 2.300 23 K HA 0.305 4.671 4.320 0.077 0.000 0.264 23 K C 0.174 176.571 176.600 -0.338 0.000 1.083 23 K CA -0.491 55.561 56.287 -0.391 0.000 0.958 23 K CB 0.148 32.341 32.500 -0.512 0.000 1.318 23 K HN 0.374 nan 8.250 nan 0.000 0.448 24 I N 3.857 124.161 120.570 -0.443 0.000 2.752 24 I HA -0.074 4.142 4.170 0.077 0.000 0.289 24 I C -0.227 175.606 176.117 -0.473 0.000 1.197 24 I CA 0.041 61.044 61.300 -0.496 0.000 1.432 24 I CB 0.753 38.292 38.000 -0.769 0.000 1.359 24 I HN 0.247 nan 8.210 nan 0.000 0.571 25 V N 6.933 126.692 119.914 -0.257 0.000 2.340 25 V HA 0.301 4.467 4.120 0.077 0.000 0.277 25 V C 0.022 176.076 176.094 -0.067 0.000 1.017 25 V CA -0.778 61.438 62.300 -0.140 0.000 0.820 25 V CB 0.854 32.644 31.823 -0.056 0.000 1.028 25 V HN 0.658 nan 8.190 nan 0.000 0.436 26 N N 2.614 121.290 118.700 -0.040 0.000 2.491 26 N HA 0.248 5.034 4.740 0.077 0.000 0.279 26 N C 1.087 176.622 175.510 0.040 0.000 1.236 26 N CA -0.379 52.684 53.050 0.023 0.000 0.982 26 N CB 1.046 39.581 38.487 0.080 0.000 1.194 26 N HN 0.712 nan 8.380 nan 0.000 0.582 27 D N -0.803 119.622 120.400 0.042 0.000 2.312 27 D HA -0.139 4.547 4.640 0.077 0.000 0.211 27 D C 0.397 176.715 176.300 0.030 0.000 0.964 27 D CA 0.959 54.971 54.000 0.020 0.000 0.877 27 D CB 0.022 40.808 40.800 -0.023 0.000 0.924 27 D HN 0.603 nan 8.370 nan 0.000 0.515 28 D N -0.260 120.174 120.400 0.056 0.000 2.423 28 D HA -0.028 4.658 4.640 0.077 0.000 0.212 28 D C 0.869 177.216 176.300 0.078 0.000 1.060 28 D CA 0.211 54.247 54.000 0.061 0.000 0.872 28 D CB 0.235 41.078 40.800 0.072 0.000 1.012 28 D HN 0.539 nan 8.370 nan 0.000 0.503 29 Q N -0.989 118.873 119.800 0.102 0.000 2.647 29 Q HA 0.473 4.859 4.340 0.077 0.000 0.283 29 Q C -1.938 174.134 176.000 0.120 0.000 0.943 29 Q CA -0.837 55.043 55.803 0.128 0.000 0.813 29 Q CB 1.046 29.890 28.738 0.176 0.000 1.477 29 Q HN -0.151 nan 8.270 nan 0.000 0.393 30 S N 1.529 117.283 115.700 0.091 0.000 2.473 30 S HA 0.895 5.411 4.470 0.077 0.000 0.307 30 S C -1.232 173.397 174.600 0.048 0.000 1.094 30 S CA -0.564 57.613 58.200 -0.037 0.000 1.070 30 S CB 0.483 63.640 63.200 -0.072 0.000 1.019 30 S HN 0.501 nan 8.310 nan 0.000 0.480 31 F N -0.381 119.494 119.950 -0.125 0.000 2.654 31 F HA 0.629 5.202 4.527 0.077 0.000 0.308 31 F C -1.748 173.952 175.800 -0.168 0.000 1.108 31 F CA -1.588 56.345 58.000 -0.111 0.000 0.957 31 F CB 0.544 39.543 39.000 -0.001 0.000 1.309 31 F HN 0.375 nan 8.300 nan 0.000 0.446 32 Y N 2.051 122.482 120.300 0.218 0.000 2.436 32 Y HA 0.629 5.225 4.550 0.077 0.000 0.336 32 Y C 0.492 176.515 175.900 0.204 0.000 1.049 32 Y CA 0.448 58.624 58.100 0.127 0.000 1.294 32 Y CB 0.745 39.268 38.460 0.104 0.000 1.179 32 Y HN 1.015 nan 8.280 nan 0.000 0.520 33 A N 2.374 125.338 122.820 0.240 0.000 2.566 33 A HA 0.560 4.927 4.320 0.077 0.000 0.290 33 A C -1.701 175.962 177.584 0.131 0.000 1.071 33 A CA -1.092 51.079 52.037 0.225 0.000 0.658 33 A CB 1.148 20.360 19.000 0.353 0.000 1.285 33 A HN 0.486 nan 8.150 nan 0.000 0.427 34 D N 0.206 120.679 120.400 0.121 0.000 2.229 34 D HA 0.669 5.355 4.640 0.077 0.000 0.249 34 D C -0.548 175.812 176.300 0.101 0.000 1.027 34 D CA 0.284 54.338 54.000 0.091 0.000 0.923 34 D CB 1.281 42.128 40.800 0.078 0.000 1.174 34 D HN 0.437 nan 8.370 nan 0.000 0.443 35 I N 1.663 122.288 120.570 0.090 0.000 2.466 35 I HA 0.248 4.464 4.170 0.077 0.000 0.289 35 I C -1.144 175.057 176.117 0.140 0.000 1.026 35 I CA -1.096 60.261 61.300 0.096 0.000 1.078 35 I CB 1.439 39.465 38.000 0.043 0.000 1.249 35 I HN 0.207 nan 8.210 nan 0.000 0.429 36 Y N 8.271 128.582 120.300 0.018 0.000 2.393 36 Y HA 0.778 5.374 4.550 0.077 0.000 0.341 36 Y C -0.716 175.190 175.900 0.009 0.000 0.988 36 Y CA -1.157 56.950 58.100 0.012 0.000 1.078 36 Y CB 1.463 39.930 38.460 0.013 0.000 1.203 36 Y HN 0.528 nan 8.280 nan 0.000 0.453 37 M N 4.059 123.230 119.600 -0.716 0.000 2.575 37 M HA 0.676 5.202 4.480 0.077 0.000 0.284 37 M C -1.954 173.960 176.300 -0.643 0.000 1.253 37 M CA -0.839 54.126 55.300 -0.559 0.000 0.861 37 M CB 2.948 35.406 32.600 -0.237 0.000 1.733 37 M HN 0.757 nan 8.290 nan 0.000 0.462 38 E N 0.613 120.578 120.200 -0.391 0.000 2.400 38 E HA 0.223 4.619 4.350 0.077 0.000 0.285 38 E C -1.351 175.171 176.600 -0.130 0.000 1.005 38 E CA -0.301 55.952 56.400 -0.245 0.000 0.816 38 E CB 1.397 30.955 29.700 -0.237 0.000 1.220 38 E HN 0.880 nan 8.360 nan 0.000 0.426 39 D N 2.494 122.848 120.400 -0.078 0.000 2.911 39 D HA -0.215 4.472 4.640 0.077 0.000 0.227 39 D C 0.725 176.997 176.300 -0.047 0.000 1.164 39 D CA 1.954 55.926 54.000 -0.047 0.000 0.782 39 D CB -1.412 39.367 40.800 -0.034 0.000 1.094 39 D HN 1.065 nan 8.370 nan 0.000 0.425 40 G N -1.167 107.599 108.800 -0.058 0.000 2.159 40 G HA2 -0.311 3.695 3.960 0.077 0.000 0.256 40 G HA3 -0.311 3.695 3.960 0.077 0.000 0.256 40 G C 0.195 175.062 174.900 -0.055 0.000 0.977 40 G CA 0.591 45.663 45.100 -0.047 0.000 0.652 40 G HN 0.479 nan 8.290 nan 0.000 0.531 41 L N 0.052 121.232 121.223 -0.072 0.000 2.342 41 L HA 0.665 5.051 4.340 0.077 0.000 0.271 41 L C 0.598 177.413 176.870 -0.093 0.000 1.008 41 L CA -1.317 53.481 54.840 -0.069 0.000 0.818 41 L CB 1.923 43.948 42.059 -0.057 0.000 1.296 41 L HN 0.038 nan 8.230 nan 0.000 0.427 42 I N 2.957 123.485 120.570 -0.069 0.000 2.396 42 I HA 0.100 4.316 4.170 0.077 0.000 0.289 42 I C 0.886 176.980 176.117 -0.038 0.000 1.056 42 I CA 0.037 61.301 61.300 -0.061 0.000 1.365 42 I CB 0.676 38.659 38.000 -0.028 0.000 1.407 42 I HN 0.613 nan 8.210 nan 0.000 0.509 43 K N 4.731 125.109 120.400 -0.038 0.000 2.350 43 K HA 0.269 4.635 4.320 0.077 0.000 0.196 43 K C 0.173 176.842 176.600 0.115 0.000 1.084 43 K CA 0.553 56.860 56.287 0.032 0.000 0.967 43 K CB 0.645 33.162 32.500 0.028 0.000 0.950 43 K HN 0.593 nan 8.250 nan 0.000 0.512 44 Q N 0.108 120.005 119.800 0.163 0.000 2.340 44 Q HA 0.510 4.897 4.340 0.077 0.000 0.276 44 Q C -1.352 174.737 176.000 0.147 0.000 1.048 44 Q CA -0.385 55.519 55.803 0.168 0.000 0.832 44 Q CB 2.934 31.806 28.738 0.222 0.000 1.373 44 Q HN 0.007 nan 8.270 nan 0.000 0.409 45 I N 1.069 121.711 120.570 0.120 0.000 2.571 45 I HA 0.799 5.015 4.170 0.077 0.000 0.289 45 I C 0.086 176.282 176.117 0.130 0.000 1.115 45 I CA -0.514 60.869 61.300 0.138 0.000 1.045 45 I CB 2.240 40.339 38.000 0.165 0.000 1.238 45 I HN 0.829 nan 8.210 nan 0.000 0.424 46 G N 5.083 113.968 108.800 0.142 0.000 2.368 46 G HA2 0.170 4.176 3.960 0.077 0.000 0.269 46 G HA3 0.170 4.176 3.960 0.077 0.000 0.269 46 G C -1.869 173.096 174.900 0.108 0.000 1.291 46 G CA -0.666 44.505 45.100 0.119 0.000 0.903 46 G HN 0.425 nan 8.290 nan 0.000 0.483 47 E N 0.118 120.366 120.200 0.079 0.000 2.263 47 E HA 0.451 4.847 4.350 0.077 0.000 0.264 47 E C -0.278 176.343 176.600 0.035 0.000 0.923 47 E CA -0.796 55.641 56.400 0.062 0.000 0.802 47 E CB 1.462 31.200 29.700 0.064 0.000 1.228 47 E HN 0.609 nan 8.360 nan 0.000 0.417 48 N N 0.576 119.289 118.700 0.023 0.000 2.705 48 N HA -0.216 4.571 4.740 0.077 0.000 0.255 48 N C -0.794 174.712 175.510 -0.007 0.000 1.008 48 N CA 0.070 53.123 53.050 0.004 0.000 0.742 48 N CB -1.216 37.273 38.487 0.004 0.000 0.906 48 N HN 0.300 nan 8.380 nan 0.000 0.541 49 L N 0.941 122.158 121.223 -0.011 0.000 2.410 49 L HA 0.215 4.601 4.340 0.077 0.000 0.273 49 L C 0.697 177.516 176.870 -0.085 0.000 1.144 49 L CA -0.397 54.422 54.840 -0.034 0.000 0.863 49 L CB 0.305 42.352 42.059 -0.021 0.000 1.140 49 L HN 0.179 nan 8.230 nan 0.000 0.463 50 I N 4.276 124.795 120.570 -0.086 0.000 2.533 50 I HA 0.193 4.409 4.170 0.077 0.000 0.284 50 I C 0.105 176.100 176.117 -0.205 0.000 1.109 50 I CA 0.464 61.700 61.300 -0.107 0.000 1.412 50 I CB 0.640 38.598 38.000 -0.071 0.000 1.396 50 I HN 0.238 nan 8.210 nan 0.000 0.543 51 V N 6.316 126.092 119.914 -0.229 0.000 3.077 51 V HA 0.379 4.545 4.120 0.077 0.000 0.299 51 V C -1.974 173.993 176.094 -0.212 0.000 1.276 51 V CA -1.300 60.771 62.300 -0.382 0.000 0.993 51 V CB 2.151 33.644 31.823 -0.549 0.000 1.076 51 V HN 0.657 nan 8.190 nan 0.000 0.434 52 P HA 0.114 nan 4.420 nan 0.000 0.273 52 P C 0.811 178.083 177.300 -0.047 0.000 1.237 52 P CA 0.715 63.775 63.100 -0.066 0.000 0.813 52 P CB 0.414 32.109 31.700 -0.009 0.000 0.930 53 G N -0.853 107.936 108.800 -0.020 0.000 2.656 53 G HA2 0.156 4.162 3.960 0.077 0.000 0.211 53 G HA3 0.156 4.162 3.960 0.077 0.000 0.211 53 G C 0.981 175.881 174.900 -0.000 0.000 1.137 53 G CA 0.422 45.514 45.100 -0.013 0.000 0.802 53 G HN 0.690 nan 8.290 nan 0.000 0.527 54 G N 0.532 109.338 108.800 0.010 0.000 3.702 54 G HA2 0.411 4.418 3.960 0.077 0.000 0.288 54 G HA3 0.411 4.418 3.960 0.077 0.000 0.288 54 G C -0.294 174.622 174.900 0.027 0.000 1.193 54 G CA -0.147 44.962 45.100 0.015 0.000 0.952 54 G HN 0.171 nan 8.290 nan 0.000 0.544 55 V N 0.664 120.601 119.914 0.037 0.000 2.530 55 V HA 0.167 4.334 4.120 0.077 0.000 0.282 55 V C 0.739 176.864 176.094 0.052 0.000 1.048 55 V CA -0.812 61.529 62.300 0.068 0.000 0.997 55 V CB 1.512 33.405 31.823 0.116 0.000 0.987 55 V HN 0.394 nan 8.190 nan 0.000 0.477 56 K N 3.781 124.208 120.400 0.045 0.000 2.315 56 K HA 0.078 4.444 4.320 0.077 0.000 0.281 56 K C 0.017 176.637 176.600 0.035 0.000 1.086 56 K CA 0.201 56.505 56.287 0.028 0.000 1.042 56 K CB -0.147 32.362 32.500 0.015 0.000 0.949 56 K HN 0.830 nan 8.250 nan 0.000 0.450 57 T N 4.853 119.423 114.554 0.027 0.000 2.928 57 T HA 0.486 4.882 4.350 0.077 0.000 0.284 57 T C -0.013 174.691 174.700 0.007 0.000 1.008 57 T CA -0.573 61.541 62.100 0.024 0.000 1.057 57 T CB 0.850 69.729 68.868 0.018 0.000 1.018 57 T HN 0.449 nan 8.240 nan 0.000 0.493 58 I N 2.088 122.656 120.570 -0.003 0.000 2.534 58 I HA 0.258 4.474 4.170 0.077 0.000 0.288 58 I C -0.390 175.688 176.117 -0.065 0.000 1.077 58 I CA -0.942 60.345 61.300 -0.022 0.000 1.051 58 I CB 2.112 40.106 38.000 -0.009 0.000 1.234 58 I HN 0.443 nan 8.210 nan 0.000 0.425 59 E N 4.914 125.038 120.200 -0.128 0.000 2.194 59 E HA 0.298 4.694 4.350 0.077 0.000 0.284 59 E C 0.378 176.756 176.600 -0.369 0.000 1.035 59 E CA -0.184 56.034 56.400 -0.302 0.000 0.836 59 E CB 2.007 31.426 29.700 -0.468 0.000 1.070 59 E HN 0.739 nan 8.360 nan 0.000 0.401 60 A N 2.737 125.400 122.820 -0.261 0.000 2.095 60 A HA -0.005 4.362 4.320 0.077 0.000 0.212 60 A C 0.195 177.758 177.584 -0.036 0.000 1.162 60 A CA 0.222 52.194 52.037 -0.110 0.000 0.753 60 A CB -0.526 18.457 19.000 -0.028 0.000 0.840 60 A HN 0.914 nan 8.150 nan 0.000 0.468 61 H N -0.721 118.376 119.070 0.045 0.000 2.748 61 H HA -0.162 4.441 4.556 0.077 0.000 0.322 61 H C 0.967 176.335 175.328 0.067 0.000 1.208 61 H CA 0.248 56.322 56.048 0.043 0.000 1.151 61 H CB -2.010 27.767 29.762 0.026 0.000 1.505 61 H HN 0.484 nan 8.280 nan 0.000 0.429 62 S N -2.473 113.337 115.700 0.183 0.000 3.011 62 S HA -0.287 4.229 4.470 0.077 0.000 0.278 62 S C 1.136 175.853 174.600 0.195 0.000 1.300 62 S CA 1.314 59.665 58.200 0.251 0.000 1.248 62 S CB -0.412 62.926 63.200 0.230 0.000 1.517 62 S HN 0.541 nan 8.310 nan 0.000 0.685 63 R N 0.706 121.282 120.500 0.126 0.000 2.811 63 R HA 0.264 4.650 4.340 0.077 0.000 0.265 63 R C 0.783 177.107 176.300 0.040 0.000 1.026 63 R CA 0.299 56.445 56.100 0.076 0.000 1.142 63 R CB -0.114 30.219 30.300 0.056 0.000 1.027 63 R HN 0.484 nan 8.270 nan 0.000 0.465 64 M N 1.127 120.745 119.600 0.030 0.000 2.219 64 M HA 0.132 4.658 4.480 0.077 0.000 0.353 64 M C -0.284 176.021 176.300 0.009 0.000 1.304 64 M CA 0.089 55.390 55.300 0.003 0.000 1.115 64 M CB 0.780 33.399 32.600 0.032 0.000 1.664 64 M HN 0.041 nan 8.290 nan 0.000 0.459 65 V N 5.737 125.629 119.914 -0.038 0.000 2.378 65 V HA 0.582 4.748 4.120 0.077 0.000 0.288 65 V C -0.218 175.848 176.094 -0.047 0.000 1.016 65 V CA -0.699 61.584 62.300 -0.027 0.000 0.840 65 V CB 1.125 32.920 31.823 -0.047 0.000 0.994 65 V HN 0.808 nan 8.190 nan 0.000 0.431 66 I N 2.490 123.053 120.570 -0.012 0.000 2.740 66 I HA 0.760 4.977 4.170 0.077 0.000 0.303 66 I C -2.808 173.299 176.117 -0.017 0.000 1.044 66 I CA -3.011 58.276 61.300 -0.022 0.000 1.064 66 I CB 2.523 40.511 38.000 -0.019 0.000 1.249 66 I HN 0.312 nan 8.210 nan 0.000 0.433 67 P HA 0.072 nan 4.420 nan 0.000 0.265 67 P C 0.203 177.490 177.300 -0.023 0.000 1.187 67 P CA 0.217 63.305 63.100 -0.021 0.000 0.766 67 P CB 0.340 32.028 31.700 -0.019 0.000 0.820 68 G N 2.659 111.455 108.800 -0.006 0.000 2.414 68 G HA2 0.344 4.350 3.960 0.077 0.000 0.236 68 G HA3 0.344 4.350 3.960 0.077 0.000 0.236 68 G C 0.542 175.430 174.900 -0.019 0.000 1.293 68 G CA -0.065 45.037 45.100 0.003 0.000 0.869 68 G HN 0.613 nan 8.290 nan 0.000 0.556 69 G N -0.253 108.533 108.800 -0.022 0.000 2.503 69 G HA2 0.463 4.470 3.960 0.077 0.000 0.257 69 G HA3 0.463 4.470 3.960 0.077 0.000 0.257 69 G C -0.128 174.767 174.900 -0.009 0.000 1.214 69 G CA -0.694 44.376 45.100 -0.049 0.000 0.839 69 G HN 0.674 nan 8.290 nan 0.000 0.559 70 I N 1.485 122.050 120.570 -0.009 0.000 2.359 70 I HA 0.130 4.346 4.170 0.077 0.000 0.284 70 I C -0.632 175.514 176.117 0.048 0.000 1.018 70 I CA -0.734 60.579 61.300 0.022 0.000 1.173 70 I CB 1.693 39.708 38.000 0.023 0.000 1.326 70 I HN 0.290 nan 8.210 nan 0.000 0.462 71 D N 6.399 126.839 120.400 0.066 0.000 2.374 71 D HA 0.054 4.740 4.640 0.077 0.000 0.240 71 D C 1.205 177.574 176.300 0.114 0.000 1.229 71 D CA -0.214 53.844 54.000 0.097 0.000 0.895 71 D CB 1.443 42.305 40.800 0.104 0.000 1.046 71 D HN 0.432 nan 8.370 nan 0.000 0.498 72 V N 2.032 122.047 119.914 0.168 0.000 3.383 72 V HA 0.027 4.193 4.120 0.077 0.000 0.272 72 V C 0.541 176.815 176.094 0.299 0.000 1.181 72 V CA 0.739 63.165 62.300 0.210 0.000 1.171 72 V CB -1.194 30.843 31.823 0.358 0.000 0.800 72 V HN 0.639 nan 8.190 nan 0.000 0.515 73 H N 0.406 119.581 119.070 0.175 0.000 3.198 73 H HA 0.522 5.124 4.556 0.077 0.000 0.317 73 H C -0.460 174.911 175.328 0.072 0.000 1.178 73 H CA 0.199 56.373 56.048 0.209 0.000 1.609 73 H CB 0.880 30.761 29.762 0.199 0.000 1.819 73 H HN 0.492 nan 8.280 nan 0.000 0.533 74 T N 1.657 116.345 114.554 0.223 0.000 2.924 74 T HA 0.531 4.928 4.350 0.077 0.000 0.291 74 T C 0.156 174.805 174.700 -0.085 0.000 1.045 74 T CA -1.170 60.796 62.100 -0.222 0.000 1.015 74 T CB 2.294 70.540 68.868 -1.036 0.000 1.103 74 T HN 0.637 nan 8.240 nan 0.000 0.496 75 R N 0.965 121.330 120.500 -0.226 0.000 2.638 75 R HA 0.269 4.655 4.340 0.077 0.000 0.269 75 R C -1.019 175.273 176.300 -0.013 0.000 1.393 75 R CA -0.530 55.583 56.100 0.020 0.000 1.531 75 R CB 0.153 30.551 30.300 0.164 0.000 1.327 75 R HN 0.444 nan 8.270 nan 0.000 0.709 76 F N 2.333 122.144 119.950 -0.233 0.000 2.506 76 F HA -0.020 4.555 4.527 0.081 0.000 0.351 76 F C 1.532 177.030 175.800 -0.503 0.000 1.136 76 F CA -0.634 57.040 58.000 -0.544 0.000 1.298 76 F CB 0.381 38.721 39.000 -1.099 0.000 1.145 76 F HN 0.325 nan 8.300 nan 0.000 0.593 77 Q N 0.707 120.381 119.800 -0.210 0.000 2.349 77 Q HA -0.304 4.082 4.340 0.077 0.000 0.340 77 Q C -0.269 175.638 176.000 -0.155 0.000 1.268 77 Q CA 0.470 56.117 55.803 -0.258 0.000 1.017 77 Q CB -1.536 26.957 28.738 -0.409 0.000 1.258 77 Q HN 0.738 nan 8.270 nan 0.000 0.438 78 M N 1.788 121.404 119.600 0.027 0.000 2.228 78 M HA 0.263 4.789 4.480 0.077 0.000 0.351 78 M C -2.167 174.257 176.300 0.207 0.000 1.233 78 M CA -1.746 53.698 55.300 0.240 0.000 1.129 78 M CB 0.813 33.605 32.600 0.320 0.000 1.604 78 M HN 0.071 nan 8.290 nan 0.000 0.457 79 P HA 0.290 nan 4.420 nan 0.000 0.286 79 P C -1.971 175.491 177.300 0.270 0.000 1.269 79 P CA -0.133 63.112 63.100 0.243 0.000 0.787 79 P CB 0.724 32.567 31.700 0.239 0.000 0.920 80 D N 1.637 122.172 120.400 0.224 0.000 2.859 80 D HA 0.134 4.820 4.640 0.077 0.000 0.223 80 D C -0.416 175.918 176.300 0.057 0.000 1.218 80 D CA -0.666 53.408 54.000 0.123 0.000 0.850 80 D CB 1.281 42.123 40.800 0.070 0.000 1.656 80 D HN 0.383 nan 8.370 nan 0.000 0.484 81 Q N 0.691 120.507 119.800 0.026 0.000 2.502 81 Q HA -0.148 4.238 4.340 0.077 0.000 0.273 81 Q C 1.013 177.029 176.000 0.026 0.000 1.127 81 Q CA 0.855 56.659 55.803 0.002 0.000 0.952 81 Q CB -1.979 26.738 28.738 -0.035 0.000 1.333 81 Q HN 1.259 nan 8.270 nan 0.000 0.494 82 G N -0.698 108.133 108.800 0.052 0.000 2.196 82 G HA2 -0.368 3.639 3.960 0.077 0.000 0.268 82 G HA3 -0.368 3.639 3.960 0.077 0.000 0.268 82 G C 0.192 175.133 174.900 0.068 0.000 0.975 82 G CA 0.957 46.092 45.100 0.058 0.000 0.648 82 G HN 0.357 nan 8.290 nan 0.000 0.538 83 M N 0.722 120.376 119.600 0.089 0.000 2.409 83 M HA 0.516 5.042 4.480 0.077 0.000 0.329 83 M C 0.035 176.449 176.300 0.191 0.000 1.180 83 M CA -0.090 55.290 55.300 0.135 0.000 1.053 83 M CB 1.664 34.355 32.600 0.152 0.000 1.586 83 M HN 0.081 nan 8.290 nan 0.000 0.461 84 T N 0.707 115.355 114.554 0.156 0.000 2.807 84 T HA 0.243 4.639 4.350 0.077 0.000 0.279 84 T C -0.252 174.441 174.700 -0.011 0.000 0.993 84 T CA -0.699 61.445 62.100 0.074 0.000 0.970 84 T CB 1.587 70.407 68.868 -0.079 0.000 0.950 84 T HN 0.715 nan 8.240 nan 0.000 0.441 85 S N 1.633 117.194 115.700 -0.233 0.000 2.599 85 S HA 0.085 4.601 4.470 0.077 0.000 0.303 85 S C 1.590 175.946 174.600 -0.407 0.000 1.267 85 S CA 0.029 57.778 58.200 -0.750 0.000 1.055 85 S CB 0.002 62.867 63.200 -0.558 0.000 0.790 85 S HN 0.860 nan 8.310 nan 0.000 0.500 86 A N 4.257 126.841 122.820 -0.393 0.000 2.014 86 A HA 0.063 4.429 4.320 0.077 0.000 0.218 86 A C 0.757 178.230 177.584 -0.184 0.000 1.163 86 A CA 0.823 52.739 52.037 -0.201 0.000 0.652 86 A CB -0.148 18.775 19.000 -0.129 0.000 0.808 86 A HN 0.836 nan 8.150 nan 0.000 0.449 87 D N 1.423 121.703 120.400 -0.200 0.000 2.380 87 D HA 0.274 4.960 4.640 0.077 0.000 0.230 87 D C -0.574 175.558 176.300 -0.281 0.000 1.154 87 D CA -0.210 53.659 54.000 -0.218 0.000 0.859 87 D CB 0.957 41.669 40.800 -0.148 0.000 1.045 87 D HN 0.509 nan 8.370 nan 0.000 0.495 88 D N 0.351 120.585 120.400 -0.277 0.000 2.414 88 D HA -0.015 4.671 4.640 0.077 0.000 0.259 88 D C 1.028 177.110 176.300 -0.363 0.000 1.269 88 D CA -0.459 53.383 54.000 -0.263 0.000 1.028 88 D CB 0.301 41.006 40.800 -0.158 0.000 1.093 88 D HN 0.098 nan 8.370 nan 0.000 0.545 89 F N -1.350 118.502 119.950 -0.163 0.000 2.451 89 F HA 0.006 4.578 4.527 0.074 0.000 0.299 89 F C 1.842 177.542 175.800 -0.167 0.000 1.101 89 F CA 0.520 58.443 58.000 -0.128 0.000 1.436 89 F CB -0.341 38.639 39.000 -0.033 0.000 1.074 89 F HN 0.308 nan 8.300 nan 0.000 0.553 90 F N 0.634 120.528 119.950 -0.093 0.000 2.147 90 F HA -0.080 4.493 4.527 0.076 0.000 0.291 90 F C 2.476 178.147 175.800 -0.216 0.000 1.093 90 F CA 1.331 59.257 58.000 -0.122 0.000 1.263 90 F CB -0.775 38.168 39.000 -0.095 0.000 1.036 90 F HN -0.143 nan 8.300 nan 0.000 0.481 91 Q N 0.735 120.218 119.800 -0.528 0.000 2.079 91 Q HA 0.036 4.422 4.340 0.077 0.000 0.200 91 Q C 2.411 177.978 176.000 -0.721 0.000 0.974 91 Q CA 2.049 57.465 55.803 -0.644 0.000 0.840 91 Q CB -1.236 27.289 28.738 -0.356 0.000 0.898 91 Q HN 0.473 nan 8.270 nan 0.000 0.430 92 G N -0.692 107.524 108.800 -0.973 0.000 2.476 92 G HA2 -0.321 3.686 3.960 0.077 0.000 0.218 92 G HA3 -0.321 3.686 3.960 0.077 0.000 0.218 92 G C 1.484 175.699 174.900 -1.142 0.000 1.164 92 G CA 1.845 45.912 45.100 -1.722 0.000 0.768 92 G HN 0.576 nan 8.290 nan 0.000 0.560 93 T N -1.235 112.887 114.554 -0.719 0.000 2.942 93 T HA 0.071 4.467 4.350 0.077 0.000 0.265 93 T C 2.094 176.639 174.700 -0.259 0.000 1.062 93 T CA 1.487 63.432 62.100 -0.259 0.000 1.139 93 T CB -0.082 68.751 68.868 -0.057 0.000 0.883 93 T HN 0.350 nan 8.240 nan 0.000 0.468 94 K N 1.531 121.675 120.400 -0.426 0.000 2.032 94 K HA -0.018 4.348 4.320 0.077 0.000 0.209 94 K C 2.592 179.027 176.600 -0.275 0.000 1.048 94 K CA 1.339 57.390 56.287 -0.393 0.000 0.927 94 K CB -0.586 31.521 32.500 -0.656 0.000 0.712 94 K HN 0.412 nan 8.250 nan 0.000 0.441 95 A N 0.976 123.602 122.820 -0.323 0.000 1.898 95 A HA -0.049 4.317 4.320 0.077 0.000 0.216 95 A C 2.315 179.823 177.584 -0.127 0.000 1.181 95 A CA 1.698 53.600 52.037 -0.225 0.000 0.620 95 A CB -0.725 18.100 19.000 -0.292 0.000 0.819 95 A HN 0.476 nan 8.150 nan 0.000 0.442 96 A N -0.152 122.590 122.820 -0.130 0.000 1.883 96 A HA -0.125 4.242 4.320 0.077 0.000 0.217 96 A C 2.202 179.791 177.584 0.008 0.000 1.186 96 A CA 1.686 53.720 52.037 -0.005 0.000 0.624 96 A CB -0.674 18.367 19.000 0.069 0.000 0.822 96 A HN 0.472 nan 8.150 nan 0.000 0.444 97 L N -0.925 120.283 121.223 -0.024 0.000 2.056 97 L HA -0.151 4.235 4.340 0.077 0.000 0.207 97 L C 3.020 179.892 176.870 0.003 0.000 1.078 97 L CA 0.945 55.783 54.840 -0.002 0.000 0.749 97 L CB -0.448 41.598 42.059 -0.021 0.000 0.901 97 L HN 0.431 nan 8.230 nan 0.000 0.433 98 A N -0.103 122.701 122.820 -0.027 0.000 2.131 98 A HA -0.130 4.236 4.320 0.077 0.000 0.220 98 A C 2.204 179.798 177.584 0.016 0.000 1.158 98 A CA 1.657 53.681 52.037 -0.022 0.000 0.665 98 A CB -0.885 18.085 19.000 -0.049 0.000 0.795 98 A HN 0.485 nan 8.150 nan 0.000 0.460 99 G N -2.520 106.310 108.800 0.049 0.000 2.744 99 G HA2 0.374 4.380 3.960 0.077 0.000 0.211 99 G HA3 0.374 4.380 3.960 0.077 0.000 0.211 99 G C 1.040 176.058 174.900 0.196 0.000 1.146 99 G CA 0.606 45.771 45.100 0.108 0.000 0.787 99 G HN 1.583 nan 8.290 nan 0.000 0.534 100 G N -1.142 107.751 108.800 0.155 0.000 2.205 100 G HA2 -0.188 3.819 3.960 0.077 0.000 0.180 100 G HA3 -0.188 3.819 3.960 0.077 0.000 0.180 100 G C 0.224 175.187 174.900 0.106 0.000 1.004 100 G CA 0.124 45.338 45.100 0.189 0.000 0.670 100 G HN 0.482 nan 8.290 nan 0.000 0.496 101 T N 2.045 116.649 114.554 0.083 0.000 2.729 101 T HA 0.482 4.878 4.350 0.077 0.000 0.296 101 T C 1.390 176.124 174.700 0.057 0.000 0.928 101 T CA 0.682 62.819 62.100 0.062 0.000 1.045 101 T CB 1.349 70.262 68.868 0.075 0.000 0.902 101 T HN 0.604 nan 8.240 nan 0.000 0.500 102 T N 0.459 115.041 114.554 0.046 0.000 3.054 102 T HA 0.416 4.813 4.350 0.077 0.000 0.255 102 T C 0.291 175.022 174.700 0.052 0.000 1.035 102 T CA -0.330 61.797 62.100 0.045 0.000 0.941 102 T CB 0.132 69.019 68.868 0.032 0.000 1.026 102 T HN 0.507 nan 8.240 nan 0.000 0.533 103 M N 1.701 121.333 119.600 0.054 0.000 2.433 103 M HA 0.656 5.182 4.480 0.077 0.000 0.290 103 M C -2.136 174.211 176.300 0.079 0.000 1.173 103 M CA -1.486 53.851 55.300 0.062 0.000 0.905 103 M CB 2.459 35.069 32.600 0.017 0.000 1.692 103 M HN 0.282 nan 8.290 nan 0.000 0.462 104 I N 1.994 122.634 120.570 0.117 0.000 2.689 104 I HA 0.670 4.886 4.170 0.077 0.000 0.299 104 I C -1.655 174.499 176.117 0.061 0.000 1.059 104 I CA -0.524 60.845 61.300 0.115 0.000 1.055 104 I CB 1.995 40.119 38.000 0.206 0.000 1.243 104 I HN 0.632 nan 8.210 nan 0.000 0.425 105 I N 4.518 125.076 120.570 -0.020 0.000 2.411 105 I HA 0.397 4.613 4.170 0.077 0.000 0.284 105 I C -0.591 175.474 176.117 -0.087 0.000 1.012 105 I CA -0.397 60.791 61.300 -0.187 0.000 1.119 105 I CB 1.196 38.897 38.000 -0.498 0.000 1.261 105 I HN 0.697 nan 8.210 nan 0.000 0.448 106 D N 4.572 124.969 120.400 -0.005 0.000 2.478 106 D HA 0.362 5.048 4.640 0.077 0.000 0.263 106 D C -0.757 175.553 176.300 0.017 0.000 1.153 106 D CA -0.298 53.789 54.000 0.144 0.000 1.038 106 D CB 1.437 42.493 40.800 0.427 0.000 1.120 106 D HN 0.476 nan 8.370 nan 0.000 0.564 107 H N 0.316 119.437 119.070 0.085 0.000 2.646 107 H HA 0.257 4.856 4.556 0.071 0.000 0.328 107 H C -0.595 174.500 175.328 -0.388 0.000 0.998 107 H CA -0.648 55.356 56.048 -0.073 0.000 1.225 107 H CB 1.648 31.388 29.762 -0.038 0.000 1.457 107 H HN 0.043 nan 8.280 nan 0.000 0.505 108 V N 4.727 124.291 119.914 -0.583 0.000 2.521 108 V HA -0.002 4.164 4.120 0.077 0.000 0.286 108 V C 0.443 176.044 176.094 -0.823 0.000 1.034 108 V CA -0.150 61.391 62.300 -1.265 0.000 1.045 108 V CB 0.969 32.378 31.823 -0.690 0.000 0.974 108 V HN 0.440 nan 8.190 nan 0.000 0.480 109 V N 8.044 127.324 119.914 -1.057 0.000 2.305 109 V HA 0.332 4.499 4.120 0.077 0.000 0.275 109 V C -2.142 173.913 176.094 -0.065 0.000 1.020 109 V CA -1.392 60.722 62.300 -0.309 0.000 0.811 109 V CB 1.522 33.338 31.823 -0.012 0.000 1.031 109 V HN 0.788 nan 8.190 nan 0.000 0.439 110 P HA 0.359 nan 4.420 nan 0.000 0.286 110 P C -0.329 177.080 177.300 0.182 0.000 1.269 110 P CA -0.410 62.760 63.100 0.116 0.000 0.787 110 P CB 1.411 33.163 31.700 0.087 0.000 0.920 111 E N 4.880 125.217 120.200 0.228 0.000 2.442 111 E HA 0.104 4.500 4.350 0.077 0.000 0.262 111 E C -2.041 174.683 176.600 0.206 0.000 1.004 111 E CA -1.390 55.151 56.400 0.236 0.000 0.928 111 E CB -0.467 29.345 29.700 0.187 0.000 0.937 111 E HN 0.337 nan 8.360 nan 0.000 0.446 112 P HA 0.079 nan 4.420 nan 0.000 0.264 112 P C 0.323 177.706 177.300 0.137 0.000 1.193 112 P CA 1.054 64.265 63.100 0.186 0.000 0.763 112 P CB 0.739 32.540 31.700 0.169 0.000 0.810 113 G N 1.333 110.217 108.800 0.139 0.000 2.218 113 G HA2 -0.177 3.829 3.960 0.077 0.000 0.216 113 G HA3 -0.177 3.829 3.960 0.077 0.000 0.216 113 G C 0.289 175.249 174.900 0.100 0.000 0.994 113 G CA 0.224 45.386 45.100 0.103 0.000 0.637 113 G HN 0.857 nan 8.290 nan 0.000 0.505 114 T N -0.544 114.080 114.554 0.117 0.000 2.952 114 T HA 0.710 5.106 4.350 0.077 0.000 0.286 114 T C 0.499 175.265 174.700 0.110 0.000 1.024 114 T CA 0.765 62.928 62.100 0.106 0.000 1.029 114 T CB 1.768 70.702 68.868 0.110 0.000 1.094 114 T HN 1.546 nan 8.240 nan 0.000 0.515 115 S N 3.068 118.822 115.700 0.090 0.000 2.537 115 S HA 0.304 4.820 4.470 0.077 0.000 0.275 115 S C 1.650 176.294 174.600 0.073 0.000 1.272 115 S CA -0.989 57.259 58.200 0.080 0.000 1.050 115 S CB 0.147 63.382 63.200 0.058 0.000 0.961 115 S HN 0.721 nan 8.310 nan 0.000 0.496 116 L N 2.563 123.827 121.223 0.068 0.000 2.034 116 L HA -0.228 4.159 4.340 0.077 0.000 0.217 116 L C 2.323 179.226 176.870 0.055 0.000 1.077 116 L CA 1.775 56.657 54.840 0.071 0.000 0.769 116 L CB -1.030 41.081 42.059 0.086 0.000 0.890 116 L HN 0.736 nan 8.230 nan 0.000 0.435 117 L N -0.581 120.648 121.223 0.009 0.000 2.056 117 L HA -0.154 4.232 4.340 0.077 0.000 0.207 117 L C 2.927 179.798 176.870 0.002 0.000 1.078 117 L CA 1.062 55.869 54.840 -0.055 0.000 0.749 117 L CB -0.753 41.256 42.059 -0.083 0.000 0.901 117 L HN 0.230 nan 8.230 nan 0.000 0.433 118 A N 0.361 123.197 122.820 0.026 0.000 1.865 118 A HA -0.209 4.158 4.320 0.077 0.000 0.217 118 A C 2.568 180.186 177.584 0.057 0.000 1.191 118 A CA 1.917 53.974 52.037 0.032 0.000 0.623 118 A CB -0.880 18.144 19.000 0.040 0.000 0.826 118 A HN 0.384 nan 8.150 nan 0.000 0.444 119 A N -1.491 121.391 122.820 0.103 0.000 1.940 119 A HA -0.104 4.262 4.320 0.077 0.000 0.219 119 A C 2.100 179.798 177.584 0.191 0.000 1.176 119 A CA 1.693 53.835 52.037 0.175 0.000 0.631 119 A CB -0.699 18.373 19.000 0.120 0.000 0.814 119 A HN 0.726 nan 8.150 nan 0.000 0.446 120 F N 0.877 120.801 119.950 -0.043 0.000 2.163 120 F HA -0.121 4.450 4.527 0.072 0.000 0.297 120 F C 1.672 177.412 175.800 -0.099 0.000 1.094 120 F CA 1.786 59.734 58.000 -0.086 0.000 1.290 120 F CB -0.029 38.861 39.000 -0.183 0.000 1.017 120 F HN 0.210 nan 8.300 nan 0.000 0.483 121 D N 0.009 120.477 120.400 0.112 0.000 2.178 121 D HA -0.177 4.509 4.640 0.077 0.000 0.201 121 D C 2.180 178.368 176.300 -0.187 0.000 0.980 121 D CA 0.827 54.809 54.000 -0.031 0.000 0.842 121 D CB -0.412 40.375 40.800 -0.021 0.000 0.948 121 D HN 0.318 nan 8.370 nan 0.000 0.472 122 Q N -0.619 119.049 119.800 -0.220 0.000 2.020 122 Q HA -0.119 4.267 4.340 0.077 0.000 0.202 122 Q C 2.272 177.799 176.000 -0.787 0.000 0.982 122 Q CA 0.943 56.403 55.803 -0.572 0.000 0.838 122 Q CB -0.411 27.967 28.738 -0.599 0.000 0.899 122 Q HN 0.517 nan 8.270 nan 0.000 0.423 123 W N 0.966 121.899 121.300 -0.612 0.000 2.358 123 W HA -0.153 4.561 4.660 0.090 0.000 0.303 123 W C 2.087 178.352 176.519 -0.422 0.000 1.208 123 W CA 0.741 57.857 57.345 -0.381 0.000 1.274 123 W CB -0.012 29.330 29.460 -0.196 0.000 1.138 123 W HN 0.211 nan 8.180 nan 0.000 0.515 124 R N 0.460 120.786 120.500 -0.290 0.000 2.083 124 R HA -0.200 4.186 4.340 0.077 0.000 0.237 124 R C 1.893 178.072 176.300 -0.203 0.000 1.137 124 R CA 1.667 57.607 56.100 -0.267 0.000 0.951 124 R CB -1.194 28.898 30.300 -0.346 0.000 0.851 124 R HN 0.381 nan 8.270 nan 0.000 0.434 125 E N -0.227 119.826 120.200 -0.245 0.000 2.049 125 E HA -0.222 4.174 4.350 0.077 0.000 0.198 125 E C 1.729 178.269 176.600 -0.100 0.000 1.007 125 E CA 1.313 57.600 56.400 -0.189 0.000 0.809 125 E CB -0.104 29.435 29.700 -0.268 0.000 0.749 125 E HN 0.302 nan 8.360 nan 0.000 0.450 126 W N 0.169 121.313 121.300 -0.260 0.000 2.355 126 W HA -0.043 4.661 4.660 0.074 0.000 0.309 126 W C 2.522 178.768 176.519 -0.456 0.000 1.206 126 W CA 1.122 58.283 57.345 -0.307 0.000 1.284 126 W CB -1.219 28.037 29.460 -0.339 0.000 1.145 126 W HN 0.265 nan 8.180 nan 0.000 0.502 127 A N 0.052 122.541 122.820 -0.551 0.000 1.897 127 A HA -0.145 4.221 4.320 0.077 0.000 0.215 127 A C 1.738 179.026 177.584 -0.493 0.000 1.181 127 A CA 1.768 53.212 52.037 -0.987 0.000 0.620 127 A CB -0.780 17.221 19.000 -1.665 0.000 0.821 127 A HN 0.073 nan 8.150 nan 0.000 0.443 128 D N 0.005 120.286 120.400 -0.199 0.000 2.264 128 D HA -0.100 4.586 4.640 0.077 0.000 0.208 128 D C 2.304 178.598 176.300 -0.011 0.000 0.966 128 D CA 1.541 55.542 54.000 0.002 0.000 0.864 128 D CB -0.050 40.779 40.800 0.049 0.000 0.933 128 D HN 0.598 nan 8.370 nan 0.000 0.499 129 S N -0.431 115.248 115.700 -0.036 0.000 2.421 129 S HA 0.040 4.557 4.470 0.077 0.000 0.224 129 S C 1.687 176.281 174.600 -0.010 0.000 1.035 129 S CA 0.316 58.509 58.200 -0.012 0.000 0.953 129 S CB 0.318 63.521 63.200 0.005 0.000 0.810 129 S HN 0.016 nan 8.310 nan 0.000 0.497 130 K N 1.052 121.447 120.400 -0.008 0.000 2.262 130 K HA 0.288 4.654 4.320 0.077 0.000 0.200 130 K C 0.833 177.509 176.600 0.126 0.000 1.058 130 K CA 0.210 56.536 56.287 0.066 0.000 0.974 130 K CB -0.364 32.210 32.500 0.124 0.000 0.910 130 K HN 0.344 nan 8.250 nan 0.000 0.484 131 S N 0.993 116.711 115.700 0.030 0.000 2.575 131 S HA -0.068 4.448 4.470 0.077 0.000 0.295 131 S C 1.138 175.807 174.600 0.116 0.000 1.267 131 S CA -0.394 57.843 58.200 0.061 0.000 1.074 131 S CB 0.159 63.293 63.200 -0.110 0.000 0.829 131 S HN 0.293 nan 8.310 nan 0.000 0.497 132 C N 4.369 123.740 119.300 0.117 0.000 2.618 132 C HA 0.267 4.773 4.460 0.077 0.000 0.264 132 C C 1.202 176.248 174.990 0.093 0.000 1.334 132 C CA -0.593 58.490 59.018 0.108 0.000 1.731 132 C CB -2.217 25.551 27.740 0.047 0.000 1.852 132 C HN 0.940 nan 8.230 nan 0.000 0.566 133 C N -1.274 118.095 119.300 0.115 0.000 3.080 133 C HA 0.611 5.117 4.460 0.077 0.000 0.307 133 C C -0.876 174.227 174.990 0.189 0.000 1.311 133 C CA -1.058 58.034 59.018 0.122 0.000 1.533 133 C CB 0.342 28.142 27.740 0.100 0.000 1.970 133 C HN 0.266 nan 8.230 nan 0.000 0.467 134 D N 1.170 121.659 120.400 0.148 0.000 2.443 134 D HA 0.403 5.090 4.640 0.077 0.000 0.234 134 D C -0.451 175.979 176.300 0.216 0.000 1.172 134 D CA 1.241 55.327 54.000 0.144 0.000 0.878 134 D CB 0.193 41.013 40.800 0.033 0.000 1.204 134 D HN 0.872 nan 8.370 nan 0.000 0.453 135 Y N -2.017 118.272 120.300 -0.018 0.000 2.641 135 Y HA 0.566 5.161 4.550 0.075 0.000 0.333 135 Y C -1.095 174.711 175.900 -0.157 0.000 1.174 135 Y CA -0.890 57.199 58.100 -0.019 0.000 1.057 135 Y CB 0.883 39.403 38.460 0.098 0.000 1.322 135 Y HN 0.262 nan 8.280 nan 0.000 0.457 136 S N 1.290 116.848 115.700 -0.235 0.000 2.851 136 S HA 0.858 5.374 4.470 0.077 0.000 0.313 136 S C -2.093 172.422 174.600 -0.141 0.000 1.163 136 S CA -0.890 57.035 58.200 -0.457 0.000 0.850 136 S CB 1.351 64.190 63.200 -0.601 0.000 1.245 136 S HN 0.749 nan 8.310 nan 0.000 0.558 137 L N 2.346 123.445 121.223 -0.206 0.000 2.528 137 L HA 0.452 4.838 4.340 0.077 0.000 0.267 137 L C -1.193 175.419 176.870 -0.430 0.000 0.961 137 L CA -0.707 54.011 54.840 -0.205 0.000 0.866 137 L CB 1.727 43.782 42.059 -0.008 0.000 1.248 137 L HN 0.758 nan 8.230 nan 0.000 0.404 138 H N 1.323 120.107 119.070 -0.476 0.000 2.679 138 H HA 0.357 4.960 4.556 0.079 0.000 0.369 138 H C -0.371 174.722 175.328 -0.392 0.000 1.178 138 H CA -0.253 55.457 56.048 -0.563 0.000 1.419 138 H CB 1.144 30.386 29.762 -0.867 0.000 1.458 138 H HN 0.170 nan 8.280 nan 0.000 0.605 139 V N 2.711 122.472 119.914 -0.255 0.000 2.378 139 V HA 0.094 4.260 4.120 0.077 0.000 0.288 139 V C -0.521 175.603 176.094 0.050 0.000 1.016 139 V CA -0.818 61.418 62.300 -0.106 0.000 0.840 139 V CB 1.278 33.075 31.823 -0.045 0.000 0.994 139 V HN 0.765 nan 8.190 nan 0.000 0.431 140 D N 4.545 124.963 120.400 0.031 0.000 2.312 140 D HA 0.385 5.071 4.640 0.077 0.000 0.252 140 D C 0.017 176.377 176.300 0.100 0.000 1.150 140 D CA 0.128 54.173 54.000 0.075 0.000 0.870 140 D CB 1.338 42.165 40.800 0.045 0.000 1.153 140 D HN 0.365 nan 8.370 nan 0.000 0.457 141 I N 1.819 122.477 120.570 0.147 0.000 2.337 141 I HA 0.007 4.223 4.170 0.077 0.000 0.291 141 I C 1.394 177.612 176.117 0.169 0.000 1.046 141 I CA -0.039 61.357 61.300 0.160 0.000 1.324 141 I CB 0.922 39.021 38.000 0.165 0.000 1.409 141 I HN 0.322 nan 8.210 nan 0.000 0.494 142 S N 4.047 119.837 115.700 0.150 0.000 2.503 142 S HA 0.170 4.686 4.470 0.077 0.000 0.215 142 S C 0.242 175.040 174.600 0.330 0.000 1.003 142 S CA -0.254 58.075 58.200 0.215 0.000 0.910 142 S CB -0.173 63.173 63.200 0.243 0.000 0.790 142 S HN 0.772 nan 8.310 nan 0.000 0.514 143 E N -0.858 119.503 120.200 0.268 0.000 2.401 143 E HA 0.350 4.747 4.350 0.077 0.000 0.280 143 E C -1.935 174.845 176.600 0.300 0.000 1.039 143 E CA -1.037 55.530 56.400 0.278 0.000 0.814 143 E CB 0.554 30.404 29.700 0.251 0.000 1.275 143 E HN 0.334 nan 8.360 nan 0.000 0.448 144 W N 3.165 124.497 121.300 0.052 0.000 2.471 144 W HA 0.393 5.141 4.660 0.146 0.000 0.318 144 W C -1.373 175.172 176.519 0.042 0.000 1.034 144 W CA -0.329 57.007 57.345 -0.015 0.000 1.224 144 W CB 1.411 30.889 29.460 0.030 0.000 1.335 144 W HN 0.932 nan 8.180 nan 0.000 0.452 145 H N 1.518 120.219 119.070 -0.616 0.000 2.990 145 H HA 0.473 5.081 4.556 0.087 0.000 0.336 145 H C -1.499 173.333 175.328 -0.826 0.000 1.306 145 H CA -1.188 54.498 56.048 -0.603 0.000 1.118 145 H CB 0.718 30.328 29.762 -0.252 0.000 1.856 145 H HN 0.122 nan 8.280 nan 0.000 0.538 146 K N 0.263 120.477 120.400 -0.311 0.000 2.412 146 K HA 0.429 4.796 4.320 0.077 0.000 0.281 146 K C 1.000 177.554 176.600 -0.076 0.000 1.027 146 K CA 0.836 56.962 56.287 -0.268 0.000 0.989 146 K CB 0.599 33.025 32.500 -0.125 0.000 0.935 146 K HN 1.013 nan 8.250 nan 0.000 0.475 147 G N 2.021 110.731 108.800 -0.151 0.000 2.307 147 G HA2 -0.230 3.776 3.960 0.077 0.000 0.210 147 G HA3 -0.230 3.776 3.960 0.077 0.000 0.210 147 G C 0.871 175.694 174.900 -0.127 0.000 1.005 147 G CA -0.056 45.022 45.100 -0.037 0.000 0.634 147 G HN 0.476 nan 8.290 nan 0.000 0.496 148 I N 1.842 122.152 120.570 -0.433 0.000 2.394 148 I HA -0.112 4.105 4.170 0.077 0.000 0.251 148 I C 2.652 178.645 176.117 -0.206 0.000 1.136 148 I CA 2.245 63.310 61.300 -0.391 0.000 1.425 148 I CB -0.985 36.687 38.000 -0.547 0.000 1.079 148 I HN 0.590 nan 8.210 nan 0.000 0.425 149 Q N 1.482 121.134 119.800 -0.246 0.000 2.096 149 Q HA -0.246 4.140 4.340 0.077 0.000 0.204 149 Q C 1.986 177.955 176.000 -0.051 0.000 0.982 149 Q CA 2.050 57.814 55.803 -0.064 0.000 0.850 149 Q CB 0.051 28.771 28.738 -0.030 0.000 0.901 149 Q HN 0.513 nan 8.270 nan 0.000 0.422 150 E N 0.210 120.377 120.200 -0.055 0.000 2.077 150 E HA -0.194 4.202 4.350 0.077 0.000 0.193 150 E C 2.013 178.605 176.600 -0.012 0.000 0.989 150 E CA 1.395 57.781 56.400 -0.023 0.000 0.800 150 E CB 0.012 29.702 29.700 -0.017 0.000 0.746 150 E HN 0.457 nan 8.360 nan 0.000 0.452 151 E N 0.315 120.503 120.200 -0.020 0.000 2.106 151 E HA -0.161 4.236 4.350 0.077 0.000 0.192 151 E C 2.148 178.762 176.600 0.024 0.000 0.984 151 E CA 0.941 57.342 56.400 0.002 0.000 0.806 151 E CB -0.088 29.613 29.700 0.001 0.000 0.750 151 E HN 0.329 nan 8.360 nan 0.000 0.458 152 M N 0.539 120.120 119.600 -0.030 0.000 2.086 152 M HA -0.179 4.347 4.480 0.077 0.000 0.261 152 M C 2.100 178.413 176.300 0.021 0.000 1.067 152 M CA 1.495 56.733 55.300 -0.104 0.000 1.116 152 M CB -0.328 31.981 32.600 -0.485 0.000 1.348 152 M HN 0.030 nan 8.290 nan 0.000 0.407 153 E N 0.395 120.588 120.200 -0.011 0.000 2.118 153 E HA -0.191 4.205 4.350 0.077 0.000 0.195 153 E C 1.998 178.624 176.600 0.043 0.000 0.992 153 E CA 1.444 57.855 56.400 0.019 0.000 0.804 153 E CB -0.112 29.593 29.700 0.008 0.000 0.741 153 E HN 0.523 nan 8.360 nan 0.000 0.458 154 A N 0.431 123.280 122.820 0.048 0.000 1.935 154 A HA -0.030 4.336 4.320 0.077 0.000 0.214 154 A C 2.068 179.714 177.584 0.102 0.000 1.178 154 A CA 0.482 52.553 52.037 0.056 0.000 0.640 154 A CB -0.325 18.712 19.000 0.061 0.000 0.825 154 A HN 0.122 nan 8.150 nan 0.000 0.447 155 L N -0.398 120.887 121.223 0.105 0.000 2.191 155 L HA -0.134 4.252 4.340 0.077 0.000 0.212 155 L C 2.257 179.139 176.870 0.020 0.000 1.103 155 L CA 0.729 55.584 54.840 0.026 0.000 0.769 155 L CB -0.336 41.701 42.059 -0.036 0.000 0.908 155 L HN 0.246 nan 8.230 nan 0.000 0.438 156 V N -0.672 119.292 119.914 0.083 0.000 2.500 156 V HA -0.141 4.025 4.120 0.077 0.000 0.243 156 V C 2.323 178.420 176.094 0.005 0.000 1.039 156 V CA 1.249 63.581 62.300 0.053 0.000 1.053 156 V CB -0.184 31.700 31.823 0.101 0.000 0.695 156 V HN 0.347 nan 8.190 nan 0.000 0.463 157 K N 0.283 120.681 120.400 -0.004 0.000 1.984 157 K HA -0.133 4.233 4.320 0.077 0.000 0.209 157 K C 1.705 178.251 176.600 -0.090 0.000 1.046 157 K CA 1.844 58.112 56.287 -0.031 0.000 0.934 157 K CB -0.172 32.311 32.500 -0.029 0.000 0.717 157 K HN 0.380 nan 8.250 nan 0.000 0.438 158 D N -1.102 119.192 120.400 -0.176 0.000 2.355 158 D HA 0.006 4.692 4.640 0.077 0.000 0.206 158 D C 1.154 177.105 176.300 -0.582 0.000 1.010 158 D CA 0.820 54.581 54.000 -0.399 0.000 0.875 158 D CB 0.387 40.847 40.800 -0.567 0.000 0.966 158 D HN 0.295 nan 8.370 nan 0.000 0.512 159 H N -0.780 118.203 119.070 -0.145 0.000 2.923 159 H HA 0.311 4.913 4.556 0.077 0.000 0.268 159 H C 1.015 176.319 175.328 -0.041 0.000 1.148 159 H CA 0.513 56.429 56.048 -0.220 0.000 1.146 159 H CB 1.351 30.725 29.762 -0.646 0.000 1.607 159 H HN 0.098 nan 8.280 nan 0.000 0.566 160 G N 1.676 110.523 108.800 0.079 0.000 2.160 160 G HA2 -0.266 3.740 3.960 0.077 0.000 0.244 160 G HA3 -0.266 3.740 3.960 0.077 0.000 0.244 160 G C 0.053 175.016 174.900 0.104 0.000 1.022 160 G CA 0.389 45.574 45.100 0.140 0.000 0.741 160 G HN 0.196 nan 8.290 nan 0.000 0.508 161 V N 0.938 120.857 119.914 0.009 0.000 2.481 161 V HA 0.602 4.768 4.120 0.077 0.000 0.286 161 V C 0.694 176.713 176.094 -0.125 0.000 1.042 161 V CA 0.020 62.258 62.300 -0.104 0.000 0.928 161 V CB 1.809 33.491 31.823 -0.235 0.000 0.986 161 V HN 0.624 nan 8.190 nan 0.000 0.462 162 N N 1.084 119.687 118.700 -0.161 0.000 2.307 162 N HA 0.124 4.911 4.740 0.077 0.000 0.248 162 N C -0.461 175.022 175.510 -0.046 0.000 1.322 162 N CA 0.074 53.079 53.050 -0.075 0.000 0.861 162 N CB 1.013 39.491 38.487 -0.015 0.000 1.303 162 N HN 0.631 nan 8.380 nan 0.000 0.498 163 S N -0.765 114.767 115.700 -0.280 0.000 2.543 163 S HA 0.748 5.265 4.470 0.077 0.000 0.273 163 S C -1.644 172.665 174.600 -0.484 0.000 1.152 163 S CA -0.761 57.347 58.200 -0.153 0.000 0.910 163 S CB 0.580 63.855 63.200 0.125 0.000 1.105 163 S HN 0.045 nan 8.310 nan 0.000 0.465 164 F N 1.315 121.275 119.950 0.016 0.000 2.599 164 F HA 0.765 5.337 4.527 0.075 0.000 0.311 164 F C -0.628 175.150 175.800 -0.036 0.000 1.076 164 F CA -0.936 57.059 58.000 -0.008 0.000 0.937 164 F CB 2.126 41.123 39.000 -0.006 0.000 1.282 164 F HN 0.762 nan 8.300 nan 0.000 0.460 165 L N 3.460 124.767 121.223 0.140 0.000 2.410 165 L HA 0.888 5.274 4.340 0.077 0.000 0.270 165 L C -1.372 175.464 176.870 -0.057 0.000 0.983 165 L CA -0.848 53.988 54.840 -0.007 0.000 0.822 165 L CB 1.780 43.792 42.059 -0.078 0.000 1.285 165 L HN 0.542 nan 8.230 nan 0.000 0.409 166 V N 0.977 120.830 119.914 -0.102 0.000 2.715 166 V HA 0.586 4.752 4.120 0.077 0.000 0.310 166 V C -1.166 174.835 176.094 -0.154 0.000 1.054 166 V CA -0.606 61.662 62.300 -0.053 0.000 0.928 166 V CB 1.597 33.412 31.823 -0.014 0.000 1.007 166 V HN 0.654 nan 8.190 nan 0.000 0.437 167 Y N 2.982 123.364 120.300 0.137 0.000 2.334 167 Y HA 0.601 5.165 4.550 0.022 0.000 0.328 167 Y C 1.084 177.094 175.900 0.184 0.000 1.130 167 Y CA -0.757 57.470 58.100 0.212 0.000 1.163 167 Y CB 2.042 40.689 38.460 0.312 0.000 1.207 167 Y HN 0.605 nan 8.280 nan 0.000 0.471 168 M N 1.595 121.376 119.600 0.302 0.000 2.337 168 M HA 0.344 4.870 4.480 0.077 0.000 0.256 168 M C 0.407 176.810 176.300 0.172 0.000 1.075 168 M CA 0.131 55.554 55.300 0.206 0.000 1.024 168 M CB 0.623 33.311 32.600 0.147 0.000 1.429 168 M HN 0.690 nan 8.290 nan 0.000 0.497 169 A N -0.440 122.494 122.820 0.189 0.000 2.312 169 A HA 0.787 5.154 4.320 0.077 0.000 0.310 169 A C -0.585 177.015 177.584 0.025 0.000 1.139 169 A CA -0.475 51.514 52.037 -0.080 0.000 0.886 169 A CB 0.411 19.155 19.000 -0.427 0.000 1.350 169 A HN 0.390 nan 8.150 nan 0.000 0.479 170 F N -1.358 118.610 119.950 0.030 0.000 2.616 170 F HA -0.123 4.435 4.527 0.052 0.000 0.399 170 F C 0.423 176.197 175.800 -0.044 0.000 1.110 170 F CA 0.852 58.825 58.000 -0.045 0.000 1.278 170 F CB -1.546 37.385 39.000 -0.116 0.000 1.799 170 F HN 0.693 nan 8.300 nan 0.000 0.784 171 K N 2.004 122.442 120.400 0.064 0.000 2.489 171 K HA 0.070 4.436 4.320 0.077 0.000 0.278 171 K C 1.030 177.644 176.600 0.024 0.000 1.000 171 K CA 0.866 57.180 56.287 0.046 0.000 1.012 171 K CB 0.339 32.851 32.500 0.020 0.000 0.903 171 K HN 0.481 nan 8.250 nan 0.000 0.485 172 D N 0.759 121.173 120.400 0.025 0.000 2.978 172 D HA -0.237 4.449 4.640 0.077 0.000 0.205 172 D C 0.781 177.049 176.300 -0.053 0.000 1.093 172 D CA 1.703 55.703 54.000 -0.001 0.000 1.006 172 D CB -0.393 40.402 40.800 -0.009 0.000 1.116 172 D HN 0.740 nan 8.370 nan 0.000 0.419 173 R N -1.087 119.349 120.500 -0.106 0.000 2.055 173 R HA 0.220 4.606 4.340 0.077 0.000 0.190 173 R C 1.574 177.693 176.300 -0.302 0.000 1.443 173 R CA 0.413 56.310 56.100 -0.339 0.000 1.188 173 R CB 0.065 30.012 30.300 -0.590 0.000 1.068 173 R HN 0.015 nan 8.270 nan 0.000 0.475 174 F N 0.954 120.905 119.950 0.003 0.000 2.712 174 F HA 0.354 4.912 4.527 0.051 0.000 0.297 174 F C 0.489 176.378 175.800 0.148 0.000 1.114 174 F CA -0.375 57.623 58.000 -0.004 0.000 1.305 174 F CB -0.423 38.371 39.000 -0.343 0.000 1.086 174 F HN 0.149 nan 8.300 nan 0.000 0.599 175 Q N 1.764 121.759 119.800 0.324 0.000 2.310 175 Q HA 0.081 4.467 4.340 0.077 0.000 0.315 175 Q C -1.181 174.959 176.000 0.233 0.000 1.081 175 Q CA 0.313 56.281 55.803 0.275 0.000 0.981 175 Q CB 0.427 29.270 28.738 0.175 0.000 1.184 175 Q HN 0.072 nan 8.270 nan 0.000 0.389 176 L N 3.007 124.357 121.223 0.212 0.000 2.342 176 L HA 0.431 4.817 4.340 0.077 0.000 0.271 176 L C 0.196 177.136 176.870 0.116 0.000 1.008 176 L CA -0.209 54.728 54.840 0.162 0.000 0.818 176 L CB 1.839 43.977 42.059 0.133 0.000 1.296 176 L HN 0.873 nan 8.230 nan 0.000 0.427 177 T N -2.583 112.033 114.554 0.102 0.000 2.816 177 T HA 0.179 4.576 4.350 0.077 0.000 0.282 177 T C 0.703 175.439 174.700 0.060 0.000 0.993 177 T CA -0.516 61.631 62.100 0.078 0.000 0.994 177 T CB 0.629 69.544 68.868 0.078 0.000 1.025 177 T HN 0.510 nan 8.240 nan 0.000 0.529 178 D N 0.110 120.541 120.400 0.052 0.000 2.123 178 D HA -0.119 4.567 4.640 0.077 0.000 0.196 178 D C 2.209 178.547 176.300 0.063 0.000 0.992 178 D CA 1.685 55.716 54.000 0.051 0.000 0.833 178 D CB -0.673 40.152 40.800 0.042 0.000 0.954 178 D HN 0.828 nan 8.370 nan 0.000 0.455 179 C N -0.060 119.267 119.300 0.046 0.000 2.468 179 C HA 0.115 4.622 4.460 0.077 0.000 0.277 179 C C 2.315 177.349 174.990 0.074 0.000 1.400 179 C CA -0.121 58.925 59.018 0.046 0.000 1.770 179 C CB -0.901 26.832 27.740 -0.011 0.000 1.905 179 C HN 0.206 nan 8.230 nan 0.000 0.519 180 Q N 1.110 120.939 119.800 0.048 0.000 2.050 180 Q HA -0.070 4.316 4.340 0.077 0.000 0.202 180 Q C 2.280 178.091 176.000 -0.314 0.000 0.980 180 Q CA 1.923 57.679 55.803 -0.078 0.000 0.840 180 Q CB -0.231 28.533 28.738 0.043 0.000 0.898 180 Q HN 0.751 nan 8.270 nan 0.000 0.424 181 I N -0.139 120.342 120.570 -0.147 0.000 2.226 181 I HA -0.310 3.906 4.170 0.077 0.000 0.245 181 I C 2.300 178.337 176.117 -0.134 0.000 1.100 181 I CA 1.226 62.432 61.300 -0.157 0.000 1.374 181 I CB -0.327 37.648 38.000 -0.043 0.000 1.057 181 I HN 0.223 nan 8.210 nan 0.000 0.413 182 Y N 1.988 122.203 120.300 -0.142 0.000 2.114 182 Y HA -0.329 4.257 4.550 0.060 0.000 0.282 182 Y C 2.433 178.257 175.900 -0.127 0.000 1.165 182 Y CA 2.005 60.046 58.100 -0.099 0.000 1.148 182 Y CB -0.306 38.126 38.460 -0.046 0.000 0.972 182 Y HN 0.205 nan 8.280 nan 0.000 0.504 183 E N -0.859 119.390 120.200 0.081 0.000 2.077 183 E HA -0.178 4.218 4.350 0.077 0.000 0.193 183 E C 2.235 178.643 176.600 -0.320 0.000 0.989 183 E CA 1.641 58.037 56.400 -0.007 0.000 0.800 183 E CB -0.274 29.525 29.700 0.166 0.000 0.746 183 E HN 0.356 nan 8.360 nan 0.000 0.452 184 V N 1.162 120.627 119.914 -0.747 0.000 2.343 184 V HA -0.239 3.927 4.120 0.077 0.000 0.247 184 V C 2.186 178.054 176.094 -0.376 0.000 1.051 184 V CA 1.291 63.102 62.300 -0.815 0.000 1.036 184 V CB -0.371 30.951 31.823 -0.835 0.000 0.654 184 V HN 0.188 nan 8.190 nan 0.000 0.451 185 L N 0.085 121.131 121.223 -0.295 0.000 2.141 185 L HA -0.068 4.319 4.340 0.077 0.000 0.209 185 L C 2.551 179.313 176.870 -0.179 0.000 1.094 185 L CA 1.669 56.389 54.840 -0.201 0.000 0.763 185 L CB -0.958 40.987 42.059 -0.191 0.000 0.908 185 L HN 0.262 nan 8.230 nan 0.000 0.437 186 S N -1.327 114.245 115.700 -0.214 0.000 2.383 186 S HA -0.102 4.415 4.470 0.077 0.000 0.227 186 S C 2.072 176.641 174.600 -0.053 0.000 1.026 186 S CA 1.037 59.151 58.200 -0.143 0.000 0.981 186 S CB -0.168 62.949 63.200 -0.138 0.000 0.818 186 S HN 0.209 nan 8.310 nan 0.000 0.472 187 V N 2.051 121.935 119.914 -0.050 0.000 2.323 187 V HA -0.090 4.076 4.120 0.077 0.000 0.244 187 V C 2.062 178.126 176.094 -0.050 0.000 1.041 187 V CA 1.319 63.612 62.300 -0.011 0.000 1.025 187 V CB -0.548 31.306 31.823 0.053 0.000 0.656 187 V HN 0.438 nan 8.190 nan 0.000 0.451 188 I N -0.220 120.294 120.570 -0.093 0.000 2.264 188 I HA -0.279 3.937 4.170 0.077 0.000 0.248 188 I C 2.756 178.889 176.117 0.027 0.000 1.111 188 I CA 1.705 62.974 61.300 -0.052 0.000 1.382 188 I CB -0.407 37.575 38.000 -0.031 0.000 1.060 188 I HN 0.263 nan 8.210 nan 0.000 0.418 189 R N 0.986 121.514 120.500 0.046 0.000 2.073 189 R HA -0.202 4.184 4.340 0.077 0.000 0.234 189 R C 1.765 178.154 176.300 0.149 0.000 1.134 189 R CA 2.044 58.232 56.100 0.148 0.000 0.952 189 R CB -0.216 30.137 30.300 0.089 0.000 0.850 189 R HN 0.278 nan 8.270 nan 0.000 0.433 190 D N 0.651 121.106 120.400 0.091 0.000 2.218 190 D HA -0.133 4.553 4.640 0.077 0.000 0.204 190 D C 1.711 178.074 176.300 0.106 0.000 0.976 190 D CA 1.346 55.417 54.000 0.118 0.000 0.853 190 D CB -0.037 40.812 40.800 0.081 0.000 0.939 190 D HN 0.571 nan 8.370 nan 0.000 0.481 191 I N -4.240 116.314 120.570 -0.026 0.000 3.883 191 I HA 0.328 4.544 4.170 0.077 0.000 0.326 191 I C 1.055 176.852 176.117 -0.534 0.000 1.283 191 I CA 0.396 61.629 61.300 -0.112 0.000 1.161 191 I CB 0.235 38.207 38.000 -0.047 0.000 1.012 191 I HN -0.041 nan 8.210 nan 0.000 0.421 192 G N 1.694 109.957 108.800 -0.895 0.000 2.165 192 G HA2 -0.060 3.946 3.960 0.077 0.000 0.226 192 G HA3 -0.060 3.946 3.960 0.077 0.000 0.226 192 G C 0.068 174.425 174.900 -0.904 0.000 1.035 192 G CA 0.012 43.872 45.100 -2.067 0.000 0.744 192 G HN 0.931 nan 8.290 nan 0.000 0.501 193 A N -1.026 121.676 122.820 -0.197 0.000 2.344 193 A HA 0.941 5.307 4.320 0.077 0.000 0.307 193 A C -0.200 177.523 177.584 0.232 0.000 1.151 193 A CA -0.836 51.248 52.037 0.078 0.000 0.842 193 A CB 1.103 20.251 19.000 0.247 0.000 1.350 193 A HN 0.730 nan 8.150 nan 0.000 0.459 194 I N 0.557 121.248 120.570 0.202 0.000 2.359 194 I HA 0.491 4.707 4.170 0.077 0.000 0.294 194 I C 0.593 176.810 176.117 0.165 0.000 0.987 194 I CA 0.152 61.548 61.300 0.159 0.000 1.225 194 I CB 1.826 39.882 38.000 0.092 0.000 1.366 194 I HN 0.610 nan 8.210 nan 0.000 0.466 195 A N 6.824 129.722 122.820 0.130 0.000 2.294 195 A HA 0.506 4.872 4.320 0.077 0.000 0.316 195 A C -0.204 177.453 177.584 0.121 0.000 1.359 195 A CA -0.514 51.586 52.037 0.106 0.000 0.956 195 A CB -0.054 18.973 19.000 0.046 0.000 1.155 195 A HN 0.725 nan 8.150 nan 0.000 0.544 196 Q N 0.760 120.617 119.800 0.095 0.000 2.227 196 Q HA 0.614 5.000 4.340 0.077 0.000 0.245 196 Q C -0.784 175.250 176.000 0.056 0.000 0.926 196 Q CA -0.598 55.272 55.803 0.112 0.000 0.895 196 Q CB 2.091 30.824 28.738 -0.008 0.000 1.230 196 Q HN 0.531 nan 8.270 nan 0.000 0.450 197 V N 0.385 120.343 119.914 0.073 0.000 2.760 197 V HA 0.184 4.350 4.120 0.077 0.000 0.309 197 V C -0.726 175.386 176.094 0.030 0.000 1.077 197 V CA -1.005 61.307 62.300 0.020 0.000 0.910 197 V CB 1.814 33.661 31.823 0.040 0.000 1.008 197 V HN 0.754 nan 8.190 nan 0.000 0.424 198 H N 3.770 122.768 119.070 -0.118 0.000 2.690 198 H HA 0.654 5.254 4.556 0.073 0.000 0.289 198 H C -0.250 175.117 175.328 0.065 0.000 1.089 198 H CA -0.082 55.966 56.048 -0.001 0.000 1.299 198 H CB 1.328 31.109 29.762 0.032 0.000 1.405 198 H HN 0.862 nan 8.280 nan 0.000 0.463 199 A N 6.088 128.960 122.820 0.086 0.000 2.690 199 A HA 0.389 4.756 4.320 0.077 0.000 0.342 199 A C -0.302 177.329 177.584 0.078 0.000 1.410 199 A CA -0.586 51.507 52.037 0.092 0.000 0.958 199 A CB 0.218 19.237 19.000 0.031 0.000 1.153 199 A HN 0.807 nan 8.150 nan 0.000 0.497 200 E N 1.067 121.361 120.200 0.157 0.000 2.340 200 E HA 0.175 4.571 4.350 0.077 0.000 0.273 200 E C -1.059 175.576 176.600 0.059 0.000 0.891 200 E CA -1.015 55.436 56.400 0.084 0.000 0.757 200 E CB 1.705 31.462 29.700 0.096 0.000 1.231 200 E HN 0.550 nan 8.360 nan 0.000 0.439 201 N N 1.406 120.120 118.700 0.023 0.000 2.402 201 N HA 0.021 4.807 4.740 0.077 0.000 0.259 201 N C 0.690 176.195 175.510 -0.008 0.000 1.167 201 N CA 0.174 53.233 53.050 0.015 0.000 0.949 201 N CB 1.048 39.541 38.487 0.009 0.000 1.212 201 N HN 0.761 nan 8.380 nan 0.000 0.493 202 G N 2.764 111.559 108.800 -0.008 0.000 2.443 202 G HA2 -0.202 3.804 3.960 0.077 0.000 0.219 202 G HA3 -0.202 3.804 3.960 0.077 0.000 0.219 202 G C 1.065 175.953 174.900 -0.020 0.000 1.131 202 G CA 0.311 45.386 45.100 -0.041 0.000 0.775 202 G HN 0.512 nan 8.290 nan 0.000 0.547 203 D N 0.664 121.064 120.400 0.001 0.000 2.117 203 D HA -0.034 4.653 4.640 0.077 0.000 0.198 203 D C 2.552 178.851 176.300 -0.001 0.000 0.982 203 D CA 0.419 54.422 54.000 0.005 0.000 0.828 203 D CB -0.066 40.742 40.800 0.014 0.000 0.967 203 D HN 0.356 nan 8.370 nan 0.000 0.464 204 I N 0.552 121.120 120.570 -0.004 0.000 2.252 204 I HA -0.185 4.031 4.170 0.077 0.000 0.245 204 I C 2.339 178.449 176.117 -0.013 0.000 1.102 204 I CA 0.592 61.888 61.300 -0.007 0.000 1.385 204 I CB -0.073 37.922 38.000 -0.009 0.000 1.064 204 I HN -0.063 nan 8.210 nan 0.000 0.414 205 I N 0.869 121.424 120.570 -0.026 0.000 2.226 205 I HA -0.287 3.929 4.170 0.077 0.000 0.245 205 I C 2.795 178.903 176.117 -0.015 0.000 1.100 205 I CA 1.335 62.614 61.300 -0.035 0.000 1.374 205 I CB -0.404 37.550 38.000 -0.076 0.000 1.057 205 I HN 0.180 nan 8.210 nan 0.000 0.413 206 A N 0.341 123.152 122.820 -0.015 0.000 1.902 206 A HA -0.193 4.173 4.320 0.077 0.000 0.217 206 A C 2.229 179.814 177.584 0.002 0.000 1.181 206 A CA 1.508 53.541 52.037 -0.006 0.000 0.623 206 A CB -0.374 18.622 19.000 -0.006 0.000 0.818 206 A HN 0.330 nan 8.150 nan 0.000 0.443 207 E N 0.074 120.276 120.200 0.003 0.000 2.028 207 E HA -0.147 4.249 4.350 0.077 0.000 0.191 207 E C 1.999 178.609 176.600 0.017 0.000 0.988 207 E CA 1.109 57.514 56.400 0.008 0.000 0.799 207 E CB -0.442 29.262 29.700 0.006 0.000 0.755 207 E HN 0.573 nan 8.360 nan 0.000 0.447 208 E N 1.187 121.398 120.200 0.017 0.000 2.077 208 E HA -0.171 4.225 4.350 0.077 0.000 0.193 208 E C 2.149 178.790 176.600 0.069 0.000 0.989 208 E CA 0.759 57.176 56.400 0.028 0.000 0.800 208 E CB -0.230 29.474 29.700 0.008 0.000 0.746 208 E HN 0.375 nan 8.360 nan 0.000 0.452 209 Q N 0.196 120.048 119.800 0.086 0.000 2.062 209 Q HA -0.273 4.114 4.340 0.077 0.000 0.209 209 Q C 2.252 178.309 176.000 0.096 0.000 0.996 209 Q CA 2.067 57.964 55.803 0.157 0.000 0.859 209 Q CB -0.193 28.592 28.738 0.078 0.000 0.920 209 Q HN 0.104 nan 8.270 nan 0.000 0.415 210 Q N 0.401 120.221 119.800 0.033 0.000 2.172 210 Q HA -0.092 4.295 4.340 0.077 0.000 0.200 210 Q C 1.764 177.783 176.000 0.031 0.000 0.964 210 Q CA 1.284 57.093 55.803 0.009 0.000 0.855 210 Q CB -0.049 28.686 28.738 -0.005 0.000 0.918 210 Q HN 0.180 nan 8.270 nan 0.000 0.444 211 R N -0.426 120.100 120.500 0.043 0.000 2.092 211 R HA -0.063 4.323 4.340 0.077 0.000 0.231 211 R C 1.710 178.049 176.300 0.064 0.000 1.119 211 R CA 1.203 57.328 56.100 0.042 0.000 0.970 211 R CB -0.072 30.248 30.300 0.034 0.000 0.864 211 R HN 0.310 nan 8.270 nan 0.000 0.440 212 I N 0.732 121.365 120.570 0.106 0.000 2.333 212 I HA -0.215 4.001 4.170 0.077 0.000 0.246 212 I C 2.265 178.495 176.117 0.187 0.000 1.106 212 I CA 0.887 62.275 61.300 0.147 0.000 1.411 212 I CB -0.649 37.464 38.000 0.187 0.000 1.082 212 I HN 0.249 nan 8.210 nan 0.000 0.420 213 L N 0.711 122.038 121.223 0.173 0.000 2.017 213 L HA -0.238 4.148 4.340 0.077 0.000 0.208 213 L C 2.024 178.928 176.870 0.056 0.000 1.073 213 L CA 1.459 56.353 54.840 0.090 0.000 0.745 213 L CB -0.602 41.429 42.059 -0.047 0.000 0.894 213 L HN 0.206 nan 8.230 nan 0.000 0.432 214 D N -0.363 120.061 120.400 0.040 0.000 2.350 214 D HA -0.129 4.557 4.640 0.077 0.000 0.216 214 D C 1.869 178.191 176.300 0.036 0.000 0.968 214 D CA 0.749 54.765 54.000 0.027 0.000 0.894 214 D CB 0.030 40.841 40.800 0.020 0.000 0.909 214 D HN 0.134 nan 8.370 nan 0.000 0.520 215 L N -0.482 120.772 121.223 0.051 0.000 2.554 215 L HA 0.220 4.606 4.340 0.077 0.000 0.226 215 L C 1.658 178.560 176.870 0.054 0.000 1.137 215 L CA 0.754 55.624 54.840 0.049 0.000 0.863 215 L CB -0.415 41.677 42.059 0.055 0.000 0.985 215 L HN 0.210 nan 8.230 nan 0.000 0.451 216 G N -0.274 108.562 108.800 0.061 0.000 2.157 216 G HA2 -0.284 3.722 3.960 0.077 0.000 0.248 216 G HA3 -0.284 3.722 3.960 0.077 0.000 0.248 216 G C 0.435 175.388 174.900 0.088 0.000 0.979 216 G CA 0.219 45.356 45.100 0.063 0.000 0.650 216 G HN 0.294 nan 8.290 nan 0.000 0.529 217 I N 2.560 123.199 120.570 0.114 0.000 2.278 217 I HA 0.340 4.556 4.170 0.077 0.000 0.296 217 I C 1.659 177.933 176.117 0.260 0.000 1.121 217 I CA 0.693 62.074 61.300 0.134 0.000 1.267 217 I CB 1.017 39.067 38.000 0.084 0.000 1.447 217 I HN 0.262 nan 8.210 nan 0.000 0.509 218 T N 0.559 115.256 114.554 0.238 0.000 2.985 218 T HA 0.226 4.622 4.350 0.077 0.000 0.254 218 T C 1.007 175.937 174.700 0.382 0.000 1.021 218 T CA -0.009 62.283 62.100 0.319 0.000 0.957 218 T CB 0.137 69.096 68.868 0.153 0.000 1.047 218 T HN 0.483 nan 8.240 nan 0.000 0.511 219 G N 2.260 111.210 108.800 0.251 0.000 2.684 219 G HA2 0.415 4.421 3.960 0.077 0.000 0.255 219 G HA3 0.415 4.421 3.960 0.077 0.000 0.255 219 G C -1.593 173.340 174.900 0.055 0.000 1.219 219 G CA -1.178 44.056 45.100 0.224 0.000 0.901 219 G HN 0.079 nan 8.290 nan 0.000 0.548 220 P HA -0.063 nan 4.420 nan 0.000 0.222 220 P C 1.719 178.752 177.300 -0.445 0.000 1.147 220 P CA 1.058 64.021 63.100 -0.228 0.000 0.790 220 P CB 0.201 31.700 31.700 -0.335 0.000 0.780 221 E N 0.201 120.059 120.200 -0.571 0.000 2.265 221 E HA -0.116 4.280 4.350 0.077 0.000 0.196 221 E C 1.950 178.078 176.600 -0.786 0.000 0.996 221 E CA 1.668 57.509 56.400 -0.932 0.000 0.832 221 E CB -1.519 27.420 29.700 -1.268 0.000 0.756 221 E HN 0.211 nan 8.360 nan 0.000 0.491 222 G N 0.378 108.680 108.800 -0.829 0.000 2.443 222 G HA2 -0.299 3.707 3.960 0.077 0.000 0.219 222 G HA3 -0.299 3.707 3.960 0.077 0.000 0.219 222 G C 1.459 175.456 174.900 -1.505 0.000 1.131 222 G CA 0.910 45.284 45.100 -1.210 0.000 0.775 222 G HN 0.500 nan 8.290 nan 0.000 0.547 223 H N -0.172 118.057 119.070 -1.402 0.000 2.299 223 H HA 0.032 4.633 4.556 0.075 0.000 0.302 223 H C 2.480 177.473 175.328 -0.558 0.000 1.078 223 H CA 1.774 57.392 56.048 -0.718 0.000 1.323 223 H CB -0.306 29.214 29.762 -0.403 0.000 1.381 223 H HN 0.052 nan 8.280 nan 0.000 0.498 224 V N 0.420 119.870 119.914 -0.773 0.000 2.427 224 V HA -0.149 4.017 4.120 0.077 0.000 0.248 224 V C 2.276 178.152 176.094 -0.364 0.000 1.051 224 V CA 1.730 63.648 62.300 -0.637 0.000 1.048 224 V CB -0.524 30.858 31.823 -0.736 0.000 0.666 224 V HN 0.512 nan 8.190 nan 0.000 0.456 225 L N 0.749 121.768 121.223 -0.341 0.000 2.265 225 L HA -0.085 4.301 4.340 0.077 0.000 0.215 225 L C 2.428 179.202 176.870 -0.159 0.000 1.117 225 L CA 1.734 56.472 54.840 -0.170 0.000 0.782 225 L CB -0.478 41.503 42.059 -0.130 0.000 0.914 225 L HN 0.603 nan 8.230 nan 0.000 0.441 226 S N -0.732 114.833 115.700 -0.225 0.000 2.556 226 S HA 0.095 4.611 4.470 0.077 0.000 0.216 226 S C 0.997 175.517 174.600 -0.133 0.000 0.970 226 S CA -0.470 57.660 58.200 -0.117 0.000 0.912 226 S CB 0.155 63.347 63.200 -0.013 0.000 0.790 226 S HN 0.407 nan 8.310 nan 0.000 0.504 227 R N 1.816 122.195 120.500 -0.203 0.000 2.674 227 R HA 0.352 4.739 4.340 0.077 0.000 0.270 227 R C -3.052 173.170 176.300 -0.130 0.000 1.492 227 R CA -1.486 54.507 56.100 -0.177 0.000 1.624 227 R CB 0.805 30.944 30.300 -0.269 0.000 1.307 227 R HN 0.344 nan 8.270 nan 0.000 0.683 228 P HA -0.045 nan 4.420 nan 0.000 0.272 228 P C 0.467 177.746 177.300 -0.034 0.000 1.240 228 P CA -0.055 63.016 63.100 -0.049 0.000 0.791 228 P CB 0.770 32.450 31.700 -0.033 0.000 0.978 229 E N 0.619 120.809 120.200 -0.017 0.000 2.160 229 E HA -0.260 4.137 4.350 0.077 0.000 0.195 229 E C 1.006 177.598 176.600 -0.012 0.000 0.991 229 E CA 1.299 57.694 56.400 -0.010 0.000 0.810 229 E CB -0.557 29.142 29.700 -0.001 0.000 0.742 229 E HN 0.315 nan 8.360 nan 0.000 0.466 230 E N 0.866 121.056 120.200 -0.016 0.000 2.171 230 E HA -0.161 4.235 4.350 0.077 0.000 0.197 230 E C 2.049 178.642 176.600 -0.012 0.000 0.997 230 E CA 1.225 57.617 56.400 -0.015 0.000 0.810 230 E CB -0.208 29.482 29.700 -0.017 0.000 0.738 230 E HN 0.172 nan 8.360 nan 0.000 0.467 231 V N 0.509 120.414 119.914 -0.016 0.000 2.548 231 V HA -0.193 3.974 4.120 0.077 0.000 0.249 231 V C 2.261 178.352 176.094 -0.005 0.000 1.055 231 V CA 1.700 63.992 62.300 -0.014 0.000 1.065 231 V CB -0.198 31.608 31.823 -0.027 0.000 0.681 231 V HN 0.300 nan 8.190 nan 0.000 0.462 232 E N 0.255 120.451 120.200 -0.006 0.000 2.028 232 E HA -0.176 4.221 4.350 0.077 0.000 0.190 232 E C 2.279 178.880 176.600 0.002 0.000 0.984 232 E CA 1.256 57.655 56.400 -0.001 0.000 0.800 232 E CB -0.169 29.528 29.700 -0.006 0.000 0.758 232 E HN 0.530 nan 8.360 nan 0.000 0.448 233 A N 1.612 124.432 122.820 0.000 0.000 1.933 233 A HA -0.219 4.147 4.320 0.077 0.000 0.218 233 A C 2.112 179.697 177.584 0.002 0.000 1.175 233 A CA 1.613 53.651 52.037 0.001 0.000 0.628 233 A CB -0.572 18.427 19.000 -0.001 0.000 0.814 233 A HN 0.327 nan 8.150 nan 0.000 0.444 234 E N 0.507 120.708 120.200 0.002 0.000 2.031 234 E HA -0.180 4.216 4.350 0.077 0.000 0.193 234 E C 2.240 178.847 176.600 0.011 0.000 0.994 234 E CA 1.507 57.910 56.400 0.005 0.000 0.800 234 E CB -0.424 29.278 29.700 0.004 0.000 0.752 234 E HN 0.454 nan 8.360 nan 0.000 0.447 235 A N 0.779 123.609 122.820 0.017 0.000 1.902 235 A HA -0.134 4.232 4.320 0.077 0.000 0.217 235 A C 2.623 180.221 177.584 0.023 0.000 1.181 235 A CA 1.706 53.760 52.037 0.029 0.000 0.623 235 A CB -0.772 18.256 19.000 0.047 0.000 0.818 235 A HN 0.199 nan 8.150 nan 0.000 0.443 236 V N 1.495 121.417 119.914 0.013 0.000 2.287 236 V HA -0.311 3.855 4.120 0.077 0.000 0.248 236 V C 2.555 178.648 176.094 -0.001 0.000 1.053 236 V CA 2.248 64.549 62.300 0.003 0.000 1.027 236 V CB -1.025 30.795 31.823 -0.005 0.000 0.646 236 V HN 0.823 nan 8.190 nan 0.000 0.447 237 N N 0.453 119.153 118.700 -0.000 0.000 2.244 237 N HA -0.224 4.562 4.740 0.077 0.000 0.183 237 N C 2.109 177.620 175.510 0.001 0.000 1.016 237 N CA 1.685 54.733 53.050 -0.003 0.000 0.866 237 N CB -0.062 38.423 38.487 -0.002 0.000 0.980 237 N HN 0.478 nan 8.380 nan 0.000 0.430 238 R N 0.250 120.755 120.500 0.009 0.000 2.115 238 R HA 0.051 4.437 4.340 0.077 0.000 0.226 238 R C 2.184 178.494 176.300 0.016 0.000 1.100 238 R CA 1.148 57.257 56.100 0.015 0.000 0.980 238 R CB -0.170 30.143 30.300 0.022 0.000 0.875 238 R HN 0.234 nan 8.270 nan 0.000 0.445 239 A N 0.899 123.727 122.820 0.013 0.000 1.898 239 A HA -0.085 4.281 4.320 0.077 0.000 0.216 239 A C 2.086 179.667 177.584 -0.006 0.000 1.181 239 A CA 1.095 53.137 52.037 0.008 0.000 0.620 239 A CB -0.420 18.587 19.000 0.013 0.000 0.819 239 A HN 0.328 nan 8.150 nan 0.000 0.442 240 I N -0.194 120.368 120.570 -0.013 0.000 2.163 240 I HA -0.269 3.948 4.170 0.077 0.000 0.243 240 I C 2.645 178.748 176.117 -0.024 0.000 1.085 240 I CA 1.866 63.149 61.300 -0.028 0.000 1.347 240 I CB -0.649 37.331 38.000 -0.034 0.000 1.044 240 I HN 0.283 nan 8.210 nan 0.000 0.408 241 T N 1.246 115.794 114.554 -0.009 0.000 2.635 241 T HA -0.209 4.187 4.350 0.077 0.000 0.267 241 T C 1.865 176.572 174.700 0.013 0.000 1.040 241 T CA 1.727 63.829 62.100 0.003 0.000 1.156 241 T CB -0.386 68.490 68.868 0.013 0.000 0.863 241 T HN 0.276 nan 8.240 nan 0.000 0.430 242 I N 1.189 121.771 120.570 0.019 0.000 2.315 242 I HA -0.125 4.091 4.170 0.077 0.000 0.248 242 I C 2.932 179.025 176.117 -0.040 0.000 1.117 242 I CA 0.938 62.257 61.300 0.032 0.000 1.404 242 I CB -0.519 37.507 38.000 0.043 0.000 1.071 242 I HN 0.203 nan 8.210 nan 0.000 0.419 243 A N 1.108 123.899 122.820 -0.049 0.000 1.902 243 A HA -0.202 4.164 4.320 0.077 0.000 0.217 243 A C 2.090 179.629 177.584 -0.076 0.000 1.181 243 A CA 1.785 53.778 52.037 -0.074 0.000 0.623 243 A CB -0.616 18.348 19.000 -0.060 0.000 0.818 243 A HN 0.379 nan 8.150 nan 0.000 0.443 244 N N -0.194 118.473 118.700 -0.055 0.000 2.120 244 N HA -0.130 4.656 4.740 0.077 0.000 0.188 244 N C 1.767 177.255 175.510 -0.038 0.000 1.024 244 N CA 1.349 54.370 53.050 -0.049 0.000 0.852 244 N CB -0.321 38.143 38.487 -0.039 0.000 1.003 244 N HN 0.422 nan 8.380 nan 0.000 0.424 245 Q N -0.331 119.457 119.800 -0.020 0.000 2.230 245 Q HA -0.003 4.383 4.340 0.077 0.000 0.202 245 Q C 1.775 177.751 176.000 -0.040 0.000 0.963 245 Q CA 1.226 57.037 55.803 0.012 0.000 0.866 245 Q CB -0.579 28.216 28.738 0.096 0.000 0.931 245 Q HN 0.628 nan 8.270 nan 0.000 0.452 246 T N -3.113 111.356 114.554 -0.143 0.000 3.044 246 T HA 0.060 4.457 4.350 0.077 0.000 0.250 246 T C 0.696 175.320 174.700 -0.128 0.000 1.081 246 T CA 0.420 62.378 62.100 -0.238 0.000 1.040 246 T CB 0.005 68.609 68.868 -0.440 0.000 0.962 246 T HN 0.197 nan 8.240 nan 0.000 0.506 247 N N -0.025 118.621 118.700 -0.091 0.000 2.758 247 N HA -0.165 4.621 4.740 0.077 0.000 0.248 247 N C -0.626 174.839 175.510 -0.075 0.000 1.076 247 N CA 0.619 53.628 53.050 -0.068 0.000 0.696 247 N CB -2.107 36.358 38.487 -0.036 0.000 0.979 247 N HN 0.703 nan 8.380 nan 0.000 0.550 248 C N 1.124 120.369 119.300 -0.092 0.000 2.355 248 C HA 0.718 5.224 4.460 0.077 0.000 0.332 248 C C -2.174 172.756 174.990 -0.100 0.000 1.255 248 C CA -1.666 57.303 59.018 -0.082 0.000 1.792 248 C CB 0.545 28.239 27.740 -0.078 0.000 2.300 248 C HN 0.391 nan 8.230 nan 0.000 0.515 249 P HA 0.329 nan 4.420 nan 0.000 0.271 249 P C -0.968 176.344 177.300 0.019 0.000 1.220 249 P CA -0.013 63.028 63.100 -0.097 0.000 0.768 249 P CB 0.592 32.185 31.700 -0.178 0.000 0.848 250 L N 4.589 125.845 121.223 0.055 0.000 2.341 250 L HA 0.718 5.104 4.340 0.077 0.000 0.267 250 L C -1.664 175.334 176.870 0.214 0.000 1.009 250 L CA -0.989 53.907 54.840 0.094 0.000 0.819 250 L CB 1.882 43.948 42.059 0.012 0.000 1.323 250 L HN 0.285 nan 8.230 nan 0.000 0.425 251 Y N 5.084 125.423 120.300 0.065 0.000 2.307 251 Y HA 0.537 5.130 4.550 0.071 0.000 0.323 251 Y C -1.421 174.514 175.900 0.058 0.000 1.100 251 Y CA -1.026 57.135 58.100 0.102 0.000 1.140 251 Y CB 1.049 39.582 38.460 0.121 0.000 1.159 251 Y HN 0.423 nan 8.280 nan 0.000 0.436 252 I N 6.518 127.036 120.570 -0.086 0.000 2.281 252 I HA 0.133 4.350 4.170 0.077 0.000 0.293 252 I C 0.756 176.834 176.117 -0.065 0.000 1.085 252 I CA -0.196 61.076 61.300 -0.046 0.000 1.257 252 I CB 0.229 38.186 38.000 -0.071 0.000 1.430 252 I HN 0.713 nan 8.210 nan 0.000 0.489 253 T N 3.247 117.865 114.554 0.107 0.000 2.856 253 T HA 0.207 4.603 4.350 0.077 0.000 0.306 253 T C 0.494 175.237 174.700 0.072 0.000 1.062 253 T CA -0.663 61.548 62.100 0.185 0.000 1.083 253 T CB 0.351 69.370 68.868 0.251 0.000 0.984 253 T HN 0.545 nan 8.240 nan 0.000 0.542 254 K N 0.223 120.694 120.400 0.117 0.000 4.040 254 K HA -0.097 4.269 4.320 0.077 0.000 0.279 254 K C -0.564 176.039 176.600 0.006 0.000 0.890 254 K CA -0.003 56.307 56.287 0.037 0.000 0.782 254 K CB -1.772 30.721 32.500 -0.012 0.000 1.613 254 K HN 0.520 nan 8.250 nan 0.000 0.440 255 V N 3.630 123.552 119.914 0.014 0.000 2.439 255 V HA 0.010 4.177 4.120 0.077 0.000 0.271 255 V C 1.262 177.384 176.094 0.048 0.000 1.040 255 V CA 0.158 62.467 62.300 0.015 0.000 1.002 255 V CB 1.039 32.864 31.823 0.003 0.000 1.000 255 V HN 0.470 nan 8.190 nan 0.000 0.477 256 M N 2.936 122.567 119.600 0.052 0.000 2.379 256 M HA 0.208 4.734 4.480 0.077 0.000 0.265 256 M C 0.672 177.027 176.300 0.091 0.000 1.095 256 M CA 0.323 55.671 55.300 0.080 0.000 1.075 256 M CB 0.282 32.930 32.600 0.080 0.000 1.443 256 M HN 0.724 nan 8.290 nan 0.000 0.519 257 S N -0.760 114.989 115.700 0.081 0.000 2.632 257 S HA 0.540 5.057 4.470 0.077 0.000 0.289 257 S C 0.522 175.186 174.600 0.106 0.000 1.115 257 S CA -0.775 57.471 58.200 0.077 0.000 0.889 257 S CB 2.740 65.965 63.200 0.040 0.000 1.116 257 S HN 0.064 nan 8.310 nan 0.000 0.486 258 K N 1.003 121.438 120.400 0.058 0.000 2.057 258 K HA -0.033 4.334 4.320 0.077 0.000 0.207 258 K C 2.267 178.878 176.600 0.019 0.000 1.049 258 K CA 1.647 57.930 56.287 -0.006 0.000 0.931 258 K CB -0.486 31.771 32.500 -0.403 0.000 0.714 258 K HN 0.510 nan 8.250 nan 0.000 0.440 259 S N 0.620 116.307 115.700 -0.022 0.000 2.359 259 S HA -0.189 4.327 4.470 0.077 0.000 0.223 259 S C 2.116 176.733 174.600 0.028 0.000 1.039 259 S CA 1.946 60.141 58.200 -0.008 0.000 1.042 259 S CB -0.321 62.869 63.200 -0.016 0.000 0.915 259 S HN 0.515 nan 8.310 nan 0.000 0.439 260 S N 1.937 117.658 115.700 0.035 0.000 2.368 260 S HA 0.039 4.555 4.470 0.077 0.000 0.224 260 S C 2.071 176.698 174.600 0.046 0.000 1.029 260 S CA 0.996 59.214 58.200 0.030 0.000 0.988 260 S CB -0.709 62.501 63.200 0.018 0.000 0.838 260 S HN 0.523 nan 8.310 nan 0.000 0.462 261 A N 1.881 124.756 122.820 0.092 0.000 1.940 261 A HA -0.131 4.235 4.320 0.077 0.000 0.219 261 A C 2.176 179.827 177.584 0.111 0.000 1.176 261 A CA 1.938 54.039 52.037 0.107 0.000 0.631 261 A CB -0.919 18.194 19.000 0.188 0.000 0.814 261 A HN 0.624 nan 8.150 nan 0.000 0.446 262 E N -0.237 120.061 120.200 0.164 0.000 2.107 262 E HA -0.085 4.311 4.350 0.077 0.000 0.191 262 E C 1.742 178.373 176.600 0.051 0.000 0.982 262 E CA 1.204 57.684 56.400 0.134 0.000 0.809 262 E CB -0.318 29.466 29.700 0.139 0.000 0.756 262 E HN 0.242 nan 8.360 nan 0.000 0.459 263 V N 0.748 120.680 119.914 0.031 0.000 2.324 263 V HA -0.293 3.873 4.120 0.077 0.000 0.250 263 V C 2.302 178.387 176.094 -0.016 0.000 1.060 263 V CA 1.987 64.290 62.300 0.004 0.000 1.042 263 V CB -0.453 31.369 31.823 -0.001 0.000 0.650 263 V HN 0.341 nan 8.190 nan 0.000 0.450 264 I N 0.086 120.643 120.570 -0.021 0.000 2.252 264 I HA -0.195 4.021 4.170 0.077 0.000 0.245 264 I C 2.636 178.714 176.117 -0.065 0.000 1.102 264 I CA 1.361 62.628 61.300 -0.055 0.000 1.385 264 I CB -0.598 37.364 38.000 -0.062 0.000 1.064 264 I HN 0.268 nan 8.210 nan 0.000 0.414 265 A N 0.267 123.062 122.820 -0.041 0.000 1.851 265 A HA -0.239 4.127 4.320 0.077 0.000 0.216 265 A C 2.289 179.849 177.584 -0.041 0.000 1.195 265 A CA 1.479 53.490 52.037 -0.044 0.000 0.622 265 A CB -0.593 18.395 19.000 -0.021 0.000 0.831 265 A HN 0.368 nan 8.150 nan 0.000 0.444 266 Q N -0.566 119.220 119.800 -0.022 0.000 2.084 266 Q HA -0.123 4.263 4.340 0.077 0.000 0.202 266 Q C 2.415 178.392 176.000 -0.039 0.000 0.978 266 Q CA 1.647 57.436 55.803 -0.023 0.000 0.844 266 Q CB -0.804 27.928 28.738 -0.010 0.000 0.898 266 Q HN 0.667 nan 8.270 nan 0.000 0.426 267 A N 1.067 123.858 122.820 -0.048 0.000 1.933 267 A HA -0.188 4.178 4.320 0.077 0.000 0.218 267 A C 2.179 179.712 177.584 -0.086 0.000 1.175 267 A CA 1.297 53.296 52.037 -0.063 0.000 0.628 267 A CB -0.400 18.559 19.000 -0.068 0.000 0.814 267 A HN 0.239 nan 8.150 nan 0.000 0.444 268 R N 0.136 120.576 120.500 -0.100 0.000 2.081 268 R HA -0.134 4.252 4.340 0.077 0.000 0.235 268 R C 2.132 178.373 176.300 -0.098 0.000 1.131 268 R CA 1.650 57.675 56.100 -0.124 0.000 0.960 268 R CB -0.279 29.941 30.300 -0.134 0.000 0.856 268 R HN 0.746 nan 8.270 nan 0.000 0.436 269 K N 0.609 120.966 120.400 -0.073 0.000 2.439 269 K HA -0.076 4.290 4.320 0.077 0.000 0.197 269 K C 1.081 177.648 176.600 -0.054 0.000 1.041 269 K CA 1.105 57.357 56.287 -0.059 0.000 0.970 269 K CB 0.094 32.567 32.500 -0.044 0.000 0.773 269 K HN 0.063 nan 8.250 nan 0.000 0.479 270 K N 0.331 120.696 120.400 -0.057 0.000 2.444 270 K HA 0.074 4.440 4.320 0.077 0.000 0.193 270 K C 0.648 177.212 176.600 -0.061 0.000 1.024 270 K CA 0.473 56.730 56.287 -0.051 0.000 1.077 270 K CB 0.535 33.009 32.500 -0.044 0.000 0.833 270 K HN 0.517 nan 8.250 nan 0.000 0.517 271 G N 0.973 109.725 108.800 -0.079 0.000 2.218 271 G HA2 -0.221 3.785 3.960 0.077 0.000 0.216 271 G HA3 -0.221 3.785 3.960 0.077 0.000 0.216 271 G C 0.272 175.102 174.900 -0.117 0.000 0.994 271 G CA -0.193 44.852 45.100 -0.091 0.000 0.637 271 G HN 0.264 nan 8.290 nan 0.000 0.505 272 T N 1.740 116.221 114.554 -0.122 0.000 2.871 272 T HA 0.362 4.758 4.350 0.077 0.000 0.296 272 T C 0.887 175.461 174.700 -0.210 0.000 0.998 272 T CA 0.321 62.336 62.100 -0.142 0.000 1.162 272 T CB 1.792 70.584 68.868 -0.127 0.000 0.947 272 T HN 0.555 nan 8.240 nan 0.000 0.536 273 V N 5.537 125.321 119.914 -0.217 0.000 2.302 273 V HA 0.278 4.445 4.120 0.077 0.000 0.244 273 V C 0.278 176.176 176.094 -0.327 0.000 1.160 273 V CA -0.150 61.968 62.300 -0.302 0.000 1.127 273 V CB -0.110 31.579 31.823 -0.223 0.000 1.253 273 V HN 0.651 nan 8.190 nan 0.000 0.496 274 V N 6.364 125.981 119.914 -0.496 0.000 2.733 274 V HA 0.653 4.819 4.120 0.077 0.000 0.306 274 V C -1.559 174.155 176.094 -0.634 0.000 1.084 274 V CA -0.508 61.565 62.300 -0.377 0.000 0.905 274 V CB 2.319 34.014 31.823 -0.214 0.000 1.010 274 V HN 0.643 nan 8.190 nan 0.000 0.424 275 Y N 3.752 123.985 120.300 -0.111 0.000 2.429 275 Y HA 0.834 5.428 4.550 0.073 0.000 0.342 275 Y C 0.746 176.442 175.900 -0.339 0.000 1.004 275 Y CA -0.263 57.729 58.100 -0.179 0.000 1.075 275 Y CB 2.494 40.890 38.460 -0.107 0.000 1.214 275 Y HN 0.807 nan 8.280 nan 0.000 0.455 276 G N 1.011 109.710 108.800 -0.169 0.000 2.452 276 G HA2 0.494 4.500 3.960 0.077 0.000 0.324 276 G HA3 0.494 4.500 3.960 0.077 0.000 0.324 276 G C -1.403 173.362 174.900 -0.225 0.000 1.214 276 G CA -0.693 44.279 45.100 -0.213 0.000 0.947 276 G HN 0.595 nan 8.290 nan 0.000 0.478 277 E N 3.184 123.251 120.200 -0.221 0.000 2.795 277 E HA 0.278 4.674 4.350 0.077 0.000 0.226 277 E C -2.434 174.169 176.600 0.006 0.000 1.088 277 E CA -1.939 54.406 56.400 -0.093 0.000 0.812 277 E CB 2.048 31.712 29.700 -0.059 0.000 1.328 277 E HN 0.297 nan 8.360 nan 0.000 0.410 278 P HA 0.130 nan 4.420 nan 0.000 0.273 278 P C 0.108 177.453 177.300 0.074 0.000 1.250 278 P CA -0.033 63.096 63.100 0.048 0.000 0.793 278 P CB 0.965 32.692 31.700 0.045 0.000 1.011 279 I N -4.382 116.240 120.570 0.087 0.000 3.206 279 I HA 0.420 4.636 4.170 0.077 0.000 0.313 279 I C 1.115 177.311 176.117 0.131 0.000 1.103 279 I CA -0.914 60.444 61.300 0.098 0.000 0.985 279 I CB 1.037 39.073 38.000 0.061 0.000 1.240 279 I HN 0.085 nan 8.210 nan 0.000 0.464 280 T N 1.281 115.930 114.554 0.158 0.000 2.699 280 T HA -0.207 4.190 4.350 0.077 0.000 0.268 280 T C 1.908 176.837 174.700 0.382 0.000 1.036 280 T CA 2.124 64.350 62.100 0.209 0.000 1.147 280 T CB -0.537 68.463 68.868 0.220 0.000 0.862 280 T HN 0.751 nan 8.240 nan 0.000 0.446 281 A N 2.298 125.336 122.820 0.363 0.000 1.869 281 A HA -0.199 4.167 4.320 0.077 0.000 0.218 281 A C 2.647 180.400 177.584 0.281 0.000 1.203 281 A CA 2.865 55.076 52.037 0.291 0.000 0.638 281 A CB -1.224 17.844 19.000 0.113 0.000 0.831 281 A HN 0.658 nan 8.150 nan 0.000 0.450 282 S N -0.496 115.326 115.700 0.203 0.000 2.423 282 S HA 0.011 4.527 4.470 0.077 0.000 0.231 282 S C 1.765 176.471 174.600 0.176 0.000 1.014 282 S CA 1.397 59.703 58.200 0.176 0.000 0.965 282 S CB -0.518 62.764 63.200 0.136 0.000 0.785 282 S HN 0.416 nan 8.310 nan 0.000 0.495 283 L N 0.683 122.011 121.223 0.174 0.000 2.209 283 L HA 0.258 4.644 4.340 0.077 0.000 0.207 283 L C 2.705 179.674 176.870 0.164 0.000 1.094 283 L CA 0.930 55.856 54.840 0.143 0.000 0.790 283 L CB -0.495 41.630 42.059 0.109 0.000 0.932 283 L HN 0.525 nan 8.230 nan 0.000 0.447 284 G N -2.092 106.854 108.800 0.244 0.000 2.719 284 G HA2 0.098 4.105 3.960 0.077 0.000 0.211 284 G HA3 0.098 4.105 3.960 0.077 0.000 0.211 284 G C 0.588 175.715 174.900 0.378 0.000 1.140 284 G CA 0.716 45.983 45.100 0.279 0.000 0.790 284 G HN 0.236 nan 8.290 nan 0.000 0.529 285 T N -0.717 114.062 114.554 0.375 0.000 2.637 285 T HA 0.489 4.885 4.350 0.077 0.000 0.303 285 T C -2.102 172.755 174.700 0.262 0.000 1.288 285 T CA 0.148 62.447 62.100 0.332 0.000 1.040 285 T CB 1.611 70.710 68.868 0.385 0.000 1.644 285 T HN 0.281 nan 8.240 nan 0.000 0.480 286 D N -1.608 118.944 120.400 0.253 0.000 2.626 286 D HA 0.523 5.209 4.640 0.077 0.000 0.278 286 D C 0.627 176.976 176.300 0.082 0.000 1.211 286 D CA -0.300 53.793 54.000 0.156 0.000 0.903 286 D CB 0.560 41.411 40.800 0.086 0.000 1.408 286 D HN 0.731 nan 8.370 nan 0.000 0.454 287 G N -1.126 107.721 108.800 0.078 0.000 3.233 287 G HA2 0.069 4.075 3.960 0.077 0.000 0.227 287 G HA3 0.069 4.075 3.960 0.077 0.000 0.227 287 G C 1.052 176.011 174.900 0.099 0.000 1.175 287 G CA 0.403 45.540 45.100 0.062 0.000 0.781 287 G HN 0.516 nan 8.290 nan 0.000 0.542 288 S N 0.268 115.909 115.700 -0.097 0.000 2.419 288 S HA -0.199 4.317 4.470 0.077 0.000 0.235 288 S C 1.840 176.325 174.600 -0.192 0.000 1.019 288 S CA 1.038 59.167 58.200 -0.119 0.000 0.982 288 S CB -0.579 62.414 63.200 -0.345 0.000 0.789 288 S HN 0.528 nan 8.310 nan 0.000 0.490 289 H N -0.203 118.642 119.070 -0.376 0.000 2.524 289 H HA 0.071 4.673 4.556 0.076 0.000 0.282 289 H C 1.280 176.250 175.328 -0.597 0.000 1.016 289 H CA 1.018 56.663 56.048 -0.671 0.000 1.270 289 H CB -0.469 28.335 29.762 -1.597 0.000 1.394 289 H HN 0.538 nan 8.280 nan 0.000 0.568 290 Y N -0.857 119.264 120.300 -0.297 0.000 2.465 290 Y HA -0.211 4.386 4.550 0.077 0.000 0.289 290 Y C 1.964 177.577 175.900 -0.479 0.000 1.150 290 Y CA 0.599 58.447 58.100 -0.421 0.000 1.293 290 Y CB -0.238 37.848 38.460 -0.622 0.000 0.977 290 Y HN 0.316 nan 8.280 nan 0.000 0.556 291 W N -0.898 120.376 121.300 -0.045 0.000 3.278 291 W HA 0.227 4.933 4.660 0.077 0.000 0.308 291 W C 0.967 177.458 176.519 -0.047 0.000 1.253 291 W CA 0.029 57.349 57.345 -0.042 0.000 1.759 291 W CB -0.144 29.285 29.460 -0.053 0.000 1.093 291 W HN -0.208 nan 8.180 nan 0.000 0.648 292 S N 1.826 117.578 115.700 0.086 0.000 2.643 292 S HA -0.113 4.404 4.470 0.077 0.000 0.310 292 S C 1.376 176.015 174.600 0.064 0.000 1.253 292 S CA 0.378 58.612 58.200 0.056 0.000 1.047 292 S CB 0.651 63.855 63.200 0.007 0.000 0.767 292 S HN 0.028 nan 8.310 nan 0.000 0.498 293 K N 2.700 123.150 120.400 0.083 0.000 2.555 293 K HA 0.004 4.370 4.320 0.077 0.000 0.193 293 K C 0.350 177.012 176.600 0.103 0.000 1.032 293 K CA 0.192 56.535 56.287 0.093 0.000 1.004 293 K CB -0.676 31.875 32.500 0.085 0.000 0.804 293 K HN 0.488 nan 8.250 nan 0.000 0.496 294 N N 0.445 119.198 118.700 0.089 0.000 2.527 294 N HA -0.021 4.765 4.740 0.077 0.000 0.236 294 N C 0.448 176.007 175.510 0.081 0.000 0.999 294 N CA -0.473 52.641 53.050 0.106 0.000 0.935 294 N CB 0.193 38.742 38.487 0.103 0.000 1.132 294 N HN 0.077 nan 8.380 nan 0.000 0.511 295 W N 4.599 125.889 121.300 -0.016 0.000 2.304 295 W HA -0.251 4.455 4.660 0.077 0.000 0.315 295 W C 1.694 178.159 176.519 -0.089 0.000 1.233 295 W CA 2.559 59.883 57.345 -0.034 0.000 1.261 295 W CB -0.152 29.299 29.460 -0.015 0.000 1.150 295 W HN 0.661 nan 8.180 nan 0.000 0.494 296 A N -0.045 122.846 122.820 0.120 0.000 1.972 296 A HA -0.200 4.166 4.320 0.077 0.000 0.219 296 A C 1.987 179.140 177.584 -0.718 0.000 1.169 296 A CA 1.915 53.840 52.037 -0.186 0.000 0.635 296 A CB -0.855 18.125 19.000 -0.033 0.000 0.810 296 A HN 0.431 nan 8.150 nan 0.000 0.446 297 K N -0.246 119.797 120.400 -0.594 0.000 1.984 297 K HA -0.047 4.320 4.320 0.077 0.000 0.209 297 K C 2.238 178.723 176.600 -0.192 0.000 1.046 297 K CA 1.182 57.221 56.287 -0.414 0.000 0.934 297 K CB -0.390 32.057 32.500 -0.088 0.000 0.717 297 K HN 0.314 nan 8.250 nan 0.000 0.438 298 A N 1.236 123.902 122.820 -0.258 0.000 1.873 298 A HA -0.197 4.169 4.320 0.077 0.000 0.218 298 A C 2.372 179.781 177.584 -0.292 0.000 1.193 298 A CA 2.308 54.183 52.037 -0.269 0.000 0.629 298 A CB -1.118 17.693 19.000 -0.314 0.000 0.826 298 A HN 0.533 nan 8.150 nan 0.000 0.447 299 A N -0.480 121.950 122.820 -0.651 0.000 2.019 299 A HA 0.167 4.533 4.320 0.077 0.000 0.219 299 A C 2.406 179.787 177.584 -0.338 0.000 1.164 299 A CA 1.975 53.604 52.037 -0.681 0.000 0.644 299 A CB -0.869 17.342 19.000 -1.315 0.000 0.805 299 A HN 1.157 nan 8.150 nan 0.000 0.449 300 A N -1.556 121.085 122.820 -0.299 0.000 2.015 300 A HA 0.075 4.441 4.320 0.077 0.000 0.219 300 A C 1.656 179.069 177.584 -0.285 0.000 1.163 300 A CA 1.115 53.001 52.037 -0.253 0.000 0.646 300 A CB -0.612 18.198 19.000 -0.316 0.000 0.806 300 A HN 0.471 nan 8.150 nan 0.000 0.448 301 F N -0.749 119.035 119.950 -0.277 0.000 2.789 301 F HA 0.152 4.724 4.527 0.076 0.000 0.300 301 F C 0.739 176.520 175.800 -0.031 0.000 1.132 301 F CA 0.079 57.902 58.000 -0.296 0.000 1.404 301 F CB 0.210 38.812 39.000 -0.664 0.000 1.114 301 F HN -0.151 nan 8.300 nan 0.000 0.584 302 V N 0.800 120.810 119.914 0.161 0.000 2.405 302 V HA 0.279 4.445 4.120 0.077 0.000 0.264 302 V C 0.320 176.433 176.094 0.031 0.000 1.048 302 V CA 0.397 62.771 62.300 0.123 0.000 0.966 302 V CB 0.648 32.353 31.823 -0.196 0.000 1.015 302 V HN 0.184 nan 8.190 nan 0.000 0.477 303 T N 3.774 118.443 114.554 0.191 0.000 2.821 303 T HA 0.523 4.919 4.350 0.077 0.000 0.306 303 T C -1.059 173.894 174.700 0.421 0.000 1.313 303 T CA -0.371 61.870 62.100 0.235 0.000 1.012 303 T CB 1.985 70.957 68.868 0.173 0.000 1.298 303 T HN 0.488 nan 8.240 nan 0.000 0.502 304 S N 3.232 119.170 115.700 0.397 0.000 2.594 304 S HA 0.641 5.157 4.470 0.077 0.000 0.296 304 S C -2.739 172.082 174.600 0.367 0.000 1.124 304 S CA -0.913 57.539 58.200 0.420 0.000 1.011 304 S CB 1.799 65.321 63.200 0.536 0.000 1.016 304 S HN 0.556 nan 8.310 nan 0.000 0.485 305 P HA 0.272 nan 4.420 nan 0.000 0.270 305 P C -2.663 174.730 177.300 0.155 0.000 1.223 305 P CA -1.222 61.940 63.100 0.103 0.000 0.785 305 P CB -0.379 31.326 31.700 0.008 0.000 0.923 306 P HA 0.084 nan 4.420 nan 0.000 0.274 306 P C -0.278 177.182 177.300 0.266 0.000 1.231 306 P CA -0.092 63.147 63.100 0.231 0.000 0.790 306 P CB 0.271 31.978 31.700 0.010 0.000 0.951 307 L N 1.101 122.560 121.223 0.394 0.000 2.514 307 L HA 0.022 4.408 4.340 0.077 0.000 0.280 307 L C 1.151 178.204 176.870 0.305 0.000 1.223 307 L CA 0.865 55.888 54.840 0.304 0.000 0.864 307 L CB -0.332 41.889 42.059 0.270 0.000 1.118 307 L HN 0.457 nan 8.230 nan 0.000 0.494 308 S N 4.300 120.120 115.700 0.199 0.000 2.505 308 S HA 0.225 4.741 4.470 0.077 0.000 0.276 308 S C -1.382 173.316 174.600 0.164 0.000 1.274 308 S CA -1.179 57.115 58.200 0.156 0.000 1.053 308 S CB 0.932 64.192 63.200 0.098 0.000 0.919 308 S HN 0.396 nan 8.310 nan 0.000 0.490 309 P HA -0.038 nan 4.420 nan 0.000 0.226 309 P C -0.123 177.201 177.300 0.039 0.000 1.146 309 P CA 0.641 63.842 63.100 0.168 0.000 0.773 309 P CB -0.061 31.769 31.700 0.217 0.000 0.772 310 D N 0.556 120.975 120.400 0.031 0.000 2.336 310 D HA 0.040 4.727 4.640 0.077 0.000 0.249 310 D C -1.437 174.869 176.300 0.009 0.000 1.213 310 D CA -2.421 51.575 54.000 -0.006 0.000 0.870 310 D CB 0.764 41.552 40.800 -0.019 0.000 1.076 310 D HN 0.091 nan 8.370 nan 0.000 0.483 311 P HA -0.059 nan 4.420 nan 0.000 0.242 311 P C 0.932 178.252 177.300 0.033 0.000 1.197 311 P CA 0.611 63.719 63.100 0.014 0.000 0.765 311 P CB -0.097 31.596 31.700 -0.011 0.000 0.936 312 T N -4.987 109.580 114.554 0.020 0.000 3.113 312 T HA -0.003 4.393 4.350 0.077 0.000 0.256 312 T C 1.576 176.325 174.700 0.081 0.000 1.131 312 T CA 0.905 63.027 62.100 0.037 0.000 1.074 312 T CB -1.269 67.598 68.868 -0.001 0.000 0.944 312 T HN -0.027 nan 8.240 nan 0.000 0.516 313 T N 3.003 117.605 114.554 0.081 0.000 2.708 313 T HA -0.004 4.392 4.350 0.077 0.000 0.266 313 T C -0.574 174.235 174.700 0.182 0.000 1.037 313 T CA 1.328 63.504 62.100 0.127 0.000 1.146 313 T CB -1.262 67.668 68.868 0.104 0.000 0.865 313 T HN 0.389 nan 8.240 nan 0.000 0.435 314 P HA -0.134 nan 4.420 nan 0.000 0.215 314 P C 1.387 178.766 177.300 0.132 0.000 1.157 314 P CA 1.137 64.324 63.100 0.145 0.000 0.874 314 P CB -0.153 31.632 31.700 0.141 0.000 0.790 315 D N -1.283 119.195 120.400 0.131 0.000 2.104 315 D HA -0.209 4.477 4.640 0.077 0.000 0.194 315 D C 1.840 178.219 176.300 0.132 0.000 0.994 315 D CA 1.099 55.166 54.000 0.111 0.000 0.830 315 D CB -0.567 40.294 40.800 0.102 0.000 0.959 315 D HN 0.034 nan 8.370 nan 0.000 0.452 316 F N 1.371 121.334 119.950 0.022 0.000 2.126 316 F HA -0.118 4.454 4.527 0.075 0.000 0.299 316 F C 2.356 178.166 175.800 0.016 0.000 1.096 316 F CA 1.165 59.175 58.000 0.015 0.000 1.255 316 F CB -0.340 38.669 39.000 0.014 0.000 0.997 316 F HN -0.050 nan 8.300 nan 0.000 0.479 317 L N -0.232 121.048 121.223 0.096 0.000 2.109 317 L HA -0.211 4.175 4.340 0.077 0.000 0.207 317 L C 2.251 179.084 176.870 -0.062 0.000 1.086 317 L CA 1.045 55.882 54.840 -0.005 0.000 0.760 317 L CB -0.814 41.303 42.059 0.096 0.000 0.910 317 L HN 0.171 nan 8.230 nan 0.000 0.437 318 N N -0.377 118.314 118.700 -0.015 0.000 2.188 318 N HA -0.132 4.654 4.740 0.077 0.000 0.184 318 N C 2.008 177.475 175.510 -0.071 0.000 1.018 318 N CA 1.290 54.328 53.050 -0.021 0.000 0.858 318 N CB 0.014 38.509 38.487 0.014 0.000 0.989 318 N HN 0.194 nan 8.380 nan 0.000 0.426 319 S N 1.140 116.770 115.700 -0.116 0.000 2.353 319 S HA -0.069 4.447 4.470 0.077 0.000 0.222 319 S C 1.903 176.373 174.600 -0.217 0.000 1.035 319 S CA 0.839 58.940 58.200 -0.166 0.000 1.025 319 S CB -0.138 62.938 63.200 -0.206 0.000 0.902 319 S HN 0.133 nan 8.310 nan 0.000 0.440 320 L N 0.745 121.770 121.223 -0.330 0.000 2.201 320 L HA 0.085 4.471 4.340 0.077 0.000 0.212 320 L C 1.956 178.735 176.870 -0.151 0.000 1.105 320 L CA 0.928 55.602 54.840 -0.278 0.000 0.775 320 L CB -0.810 41.036 42.059 -0.355 0.000 0.913 320 L HN 0.245 nan 8.230 nan 0.000 0.440 321 L N -1.580 119.574 121.223 -0.115 0.000 2.217 321 L HA -0.063 4.323 4.340 0.077 0.000 0.211 321 L C 2.277 179.116 176.870 -0.051 0.000 1.107 321 L CA 1.284 56.087 54.840 -0.061 0.000 0.783 321 L CB -0.352 41.686 42.059 -0.035 0.000 0.919 321 L HN 0.137 nan 8.230 nan 0.000 0.442 322 S N -2.054 113.607 115.700 -0.065 0.000 2.501 322 S HA -0.074 4.442 4.470 0.077 0.000 0.220 322 S C 1.699 176.268 174.600 -0.052 0.000 0.997 322 S CA 0.762 58.930 58.200 -0.053 0.000 0.919 322 S CB -0.301 62.864 63.200 -0.058 0.000 0.778 322 S HN 0.757 nan 8.310 nan 0.000 0.523 323 C N -0.248 119.012 119.300 -0.067 0.000 3.038 323 C HA 0.697 5.203 4.460 0.077 0.000 0.279 323 C C 1.665 176.626 174.990 -0.049 0.000 1.276 323 C CA -0.044 58.940 59.018 -0.058 0.000 1.697 323 C CB -0.541 27.156 27.740 -0.072 0.000 2.032 323 C HN 0.530 nan 8.230 nan 0.000 0.636 324 G N 1.071 109.843 108.800 -0.046 0.000 2.144 324 G HA2 -0.183 3.823 3.960 0.077 0.000 0.218 324 G HA3 -0.183 3.823 3.960 0.077 0.000 0.218 324 G C 0.270 175.145 174.900 -0.042 0.000 0.988 324 G CA 0.487 45.571 45.100 -0.027 0.000 0.659 324 G HN 0.467 nan 8.290 nan 0.000 0.522 325 D N -0.092 120.267 120.400 -0.069 0.000 2.289 325 D HA 0.160 4.846 4.640 0.077 0.000 0.207 325 D C 1.237 177.491 176.300 -0.076 0.000 0.966 325 D CA 0.776 54.727 54.000 -0.082 0.000 0.868 325 D CB 0.394 41.132 40.800 -0.104 0.000 0.943 325 D HN 0.471 nan 8.370 nan 0.000 0.514 326 L N 0.431 121.617 121.223 -0.061 0.000 2.386 326 L HA 0.274 4.660 4.340 0.077 0.000 0.271 326 L C 0.351 177.215 176.870 -0.009 0.000 0.993 326 L CA -0.458 54.357 54.840 -0.043 0.000 0.819 326 L CB 2.340 44.369 42.059 -0.049 0.000 1.294 326 L HN -0.367 nan 8.230 nan 0.000 0.414 327 Q N 1.102 120.919 119.800 0.028 0.000 2.369 327 Q HA 0.199 4.585 4.340 0.077 0.000 0.254 327 Q C -0.144 175.886 176.000 0.050 0.000 0.858 327 Q CA 0.146 55.992 55.803 0.072 0.000 0.961 327 Q CB 1.268 30.126 28.738 0.200 0.000 1.119 327 Q HN 0.554 nan 8.270 nan 0.000 0.538 328 V N -1.832 118.112 119.914 0.050 0.000 3.001 328 V HA 0.957 5.123 4.120 0.077 0.000 0.314 328 V C -0.567 175.567 176.094 0.067 0.000 1.099 328 V CA -0.612 61.732 62.300 0.073 0.000 0.989 328 V CB 1.953 33.880 31.823 0.174 0.000 1.040 328 V HN 0.159 nan 8.190 nan 0.000 0.434 329 T N -0.143 114.457 114.554 0.077 0.000 2.893 329 T HA 0.935 5.332 4.350 0.077 0.000 0.293 329 T C -0.019 174.755 174.700 0.125 0.000 1.027 329 T CA 0.025 62.172 62.100 0.079 0.000 0.988 329 T CB 1.464 70.350 68.868 0.030 0.000 1.043 329 T HN 1.682 nan 8.240 nan 0.000 0.461 330 G N 0.078 108.967 108.800 0.149 0.000 3.086 330 G HA2 0.591 4.598 3.960 0.077 0.000 0.282 330 G HA3 0.591 4.598 3.960 0.077 0.000 0.282 330 G C 0.344 175.326 174.900 0.136 0.000 1.343 330 G CA -0.198 45.007 45.100 0.175 0.000 0.895 330 G HN 1.157 nan 8.290 nan 0.000 0.557 331 S N -2.333 113.444 115.700 0.128 0.000 2.554 331 S HA 0.427 4.943 4.470 0.077 0.000 0.227 331 S C 1.641 176.242 174.600 0.002 0.000 1.050 331 S CA 1.450 59.718 58.200 0.114 0.000 0.927 331 S CB 0.388 63.707 63.200 0.198 0.000 0.859 331 S HN 2.441 nan 8.310 nan 0.000 0.494 332 A N 1.316 124.035 122.820 -0.169 0.000 2.771 332 A HA -0.293 4.074 4.320 0.077 0.000 0.294 332 A C 0.276 177.797 177.584 -0.105 0.000 1.500 332 A CA 1.247 53.001 52.037 -0.471 0.000 0.829 332 A CB -2.975 15.603 19.000 -0.704 0.000 0.998 332 A HN 0.953 nan 8.150 nan 0.000 0.526 333 H N -1.205 117.825 119.070 -0.068 0.000 3.217 333 H HA 0.278 4.879 4.556 0.076 0.000 0.272 333 H C 0.367 175.703 175.328 0.013 0.000 0.929 333 H CA 1.599 57.662 56.048 0.024 0.000 1.425 333 H CB 0.135 30.000 29.762 0.170 0.000 1.505 333 H HN 0.765 nan 8.280 nan 0.000 0.542 334 C N 6.466 125.758 119.300 -0.013 0.000 3.430 334 C HA 0.215 4.721 4.460 0.077 0.000 0.268 334 C C -0.047 174.869 174.990 -0.123 0.000 1.101 334 C CA -0.059 58.968 59.018 0.016 0.000 1.286 334 C CB -1.464 26.351 27.740 0.126 0.000 1.795 334 C HN 0.995 nan 8.230 nan 0.000 0.569 335 T N 0.260 114.650 114.554 -0.273 0.000 2.909 335 T HA 0.789 5.186 4.350 0.077 0.000 0.286 335 T C -0.764 173.586 174.700 -0.582 0.000 1.002 335 T CA -0.198 61.730 62.100 -0.287 0.000 1.074 335 T CB 1.212 69.947 68.868 -0.221 0.000 0.984 335 T HN 0.368 nan 8.240 nan 0.000 0.495 336 F N 1.830 121.767 119.950 -0.022 0.000 2.561 336 F HA 0.402 4.974 4.527 0.075 0.000 0.313 336 F C 0.383 176.193 175.800 0.017 0.000 1.126 336 F CA -1.224 56.779 58.000 0.004 0.000 0.918 336 F CB 1.738 40.745 39.000 0.012 0.000 1.199 336 F HN 0.770 nan 8.300 nan 0.000 0.444 337 N N -0.335 118.466 118.700 0.169 0.000 2.317 337 N HA 0.132 4.918 4.740 0.077 0.000 0.245 337 N C 0.716 176.335 175.510 0.182 0.000 1.294 337 N CA -0.210 52.929 53.050 0.148 0.000 0.924 337 N CB -0.017 38.536 38.487 0.109 0.000 1.186 337 N HN 0.550 nan 8.380 nan 0.000 0.495 338 T N -0.915 113.756 114.554 0.195 0.000 2.833 338 T HA -0.108 4.288 4.350 0.077 0.000 0.269 338 T C 1.726 176.549 174.700 0.204 0.000 1.054 338 T CA 1.484 63.717 62.100 0.222 0.000 1.135 338 T CB -0.592 68.438 68.868 0.268 0.000 0.869 338 T HN 0.665 nan 8.240 nan 0.000 0.466 339 A N 1.522 124.433 122.820 0.152 0.000 1.855 339 A HA -0.156 4.210 4.320 0.077 0.000 0.215 339 A C 2.295 179.949 177.584 0.116 0.000 1.191 339 A CA 1.450 53.554 52.037 0.112 0.000 0.613 339 A CB -0.685 18.365 19.000 0.084 0.000 0.829 339 A HN 0.509 nan 8.150 nan 0.000 0.442 340 Q N -0.422 119.462 119.800 0.139 0.000 2.077 340 Q HA -0.200 4.186 4.340 0.077 0.000 0.206 340 Q C 2.008 178.086 176.000 0.130 0.000 0.989 340 Q CA 1.624 57.519 55.803 0.153 0.000 0.853 340 Q CB -0.201 28.696 28.738 0.264 0.000 0.907 340 Q HN 0.447 nan 8.270 nan 0.000 0.418 341 K N 0.193 120.699 120.400 0.177 0.000 2.148 341 K HA -0.047 4.320 4.320 0.077 0.000 0.204 341 K C 1.901 178.722 176.600 0.368 0.000 1.050 341 K CA 1.007 57.410 56.287 0.193 0.000 0.942 341 K CB -0.190 32.406 32.500 0.160 0.000 0.724 341 K HN 0.166 nan 8.250 nan 0.000 0.446 342 A N 1.211 124.214 122.820 0.305 0.000 2.172 342 A HA -0.067 4.299 4.320 0.077 0.000 0.216 342 A C 2.276 179.863 177.584 0.005 0.000 1.154 342 A CA 0.807 52.903 52.037 0.099 0.000 0.701 342 A CB -0.517 18.487 19.000 0.006 0.000 0.789 342 A HN 0.040 nan 8.150 nan 0.000 0.465 343 V N -0.335 119.611 119.914 0.055 0.000 2.380 343 V HA -0.203 3.963 4.120 0.077 0.000 0.251 343 V C 2.236 178.339 176.094 0.015 0.000 1.063 343 V CA 1.903 64.211 62.300 0.013 0.000 1.055 343 V CB -0.900 30.928 31.823 0.008 0.000 0.657 343 V HN 0.631 nan 8.190 nan 0.000 0.455 344 G N 0.161 109.017 108.800 0.094 0.000 3.609 344 G HA2 0.094 4.100 3.960 0.077 0.000 0.280 344 G HA3 0.094 4.100 3.960 0.077 0.000 0.280 344 G C 1.149 176.171 174.900 0.204 0.000 1.155 344 G CA 0.209 45.385 45.100 0.126 0.000 0.876 344 G HN 0.669 nan 8.290 nan 0.000 0.535 345 K N -0.699 119.664 120.400 -0.062 0.000 2.283 345 K HA 0.026 4.392 4.320 0.077 0.000 0.202 345 K C 0.703 177.161 176.600 -0.238 0.000 1.048 345 K CA 1.103 57.094 56.287 -0.494 0.000 0.948 345 K CB 0.249 32.140 32.500 -1.014 0.000 0.742 345 K HN 0.008 nan 8.250 nan 0.000 0.458 346 D N 0.407 120.746 120.400 -0.102 0.000 2.369 346 D HA 0.038 4.724 4.640 0.077 0.000 0.211 346 D C -0.524 175.784 176.300 0.014 0.000 1.077 346 D CA 0.268 54.238 54.000 -0.049 0.000 0.842 346 D CB 0.286 41.044 40.800 -0.070 0.000 0.947 346 D HN 0.194 nan 8.370 nan 0.000 0.509 347 N N 0.465 119.194 118.700 0.048 0.000 2.697 347 N HA -0.056 4.731 4.740 0.077 0.000 0.271 347 N C 0.206 175.719 175.510 0.006 0.000 1.149 347 N CA -0.504 52.531 53.050 -0.025 0.000 0.939 347 N CB 0.178 38.608 38.487 -0.095 0.000 1.534 347 N HN -0.158 nan 8.380 nan 0.000 0.556 348 F N 1.900 121.898 119.950 0.080 0.000 2.365 348 F HA 0.036 4.608 4.527 0.075 0.000 0.300 348 F C 1.944 177.767 175.800 0.038 0.000 1.090 348 F CA 1.257 59.297 58.000 0.065 0.000 1.408 348 F CB -0.962 38.060 39.000 0.036 0.000 1.060 348 F HN 0.425 nan 8.300 nan 0.000 0.534 349 T N -1.557 112.769 114.554 -0.380 0.000 3.007 349 T HA 0.002 4.398 4.350 0.077 0.000 0.270 349 T C 1.649 176.314 174.700 -0.059 0.000 1.107 349 T CA 1.060 63.061 62.100 -0.166 0.000 1.118 349 T CB -0.679 68.016 68.868 -0.289 0.000 0.889 349 T HN 0.519 nan 8.240 nan 0.000 0.506 350 L N -0.055 121.137 121.223 -0.053 0.000 2.529 350 L HA 0.401 4.787 4.340 0.077 0.000 0.223 350 L C 0.698 177.561 176.870 -0.013 0.000 1.113 350 L CA -0.085 54.737 54.840 -0.030 0.000 0.861 350 L CB -0.173 41.869 42.059 -0.028 0.000 1.012 350 L HN 0.274 nan 8.230 nan 0.000 0.461 351 I N 3.377 123.961 120.570 0.023 0.000 2.578 351 I HA 0.012 4.228 4.170 0.077 0.000 0.286 351 I C -1.694 174.350 176.117 -0.122 0.000 1.126 351 I CA -1.522 59.777 61.300 -0.002 0.000 1.380 351 I CB 0.155 38.153 38.000 -0.004 0.000 1.408 351 I HN -0.134 nan 8.210 nan 0.000 0.532 352 P HA -0.016 nan 4.420 nan 0.000 0.261 352 P C -0.721 176.369 177.300 -0.351 0.000 1.183 352 P CA 0.146 62.961 63.100 -0.476 0.000 0.761 352 P CB 0.363 31.419 31.700 -1.073 0.000 0.785 353 E N 1.648 121.740 120.200 -0.180 0.000 2.259 353 E HA 0.562 4.958 4.350 0.077 0.000 0.281 353 E C 0.601 177.278 176.600 0.130 0.000 1.037 353 E CA 0.004 56.403 56.400 -0.001 0.000 0.854 353 E CB 0.557 30.349 29.700 0.153 0.000 1.051 353 E HN 0.686 nan 8.360 nan 0.000 0.409 354 G N 1.306 110.198 108.800 0.153 0.000 2.368 354 G HA2 0.315 4.321 3.960 0.077 0.000 0.303 354 G HA3 0.315 4.321 3.960 0.077 0.000 0.303 354 G C -1.050 173.895 174.900 0.075 0.000 1.590 354 G CA -0.651 44.569 45.100 0.200 0.000 0.938 354 G HN 0.414 nan 8.290 nan 0.000 0.675 355 T N -0.050 114.481 114.554 -0.039 0.000 2.838 355 T HA 0.654 5.050 4.350 0.077 0.000 0.292 355 T C 0.068 174.591 174.700 -0.295 0.000 1.113 355 T CA -0.391 61.603 62.100 -0.176 0.000 1.008 355 T CB 1.313 70.058 68.868 -0.205 0.000 1.259 355 T HN 1.000 nan 8.240 nan 0.000 0.520 356 N N 0.071 118.558 118.700 -0.354 0.000 2.364 356 N HA 0.493 5.279 4.740 0.077 0.000 0.264 356 N C 0.664 176.134 175.510 -0.066 0.000 1.263 356 N CA 0.233 53.025 53.050 -0.430 0.000 0.959 356 N CB 0.994 39.343 38.487 -0.230 0.000 1.204 356 N HN 1.020 nan 8.380 nan 0.000 0.550 357 G N -2.437 106.482 108.800 0.199 0.000 3.288 357 G HA2 -0.193 3.813 3.960 0.077 0.000 0.219 357 G HA3 -0.193 3.813 3.960 0.077 0.000 0.219 357 G C 0.631 175.738 174.900 0.344 0.000 0.944 357 G CA 0.330 45.656 45.100 0.375 0.000 0.854 357 G HN 0.672 nan 8.290 nan 0.000 0.632 358 T N -0.010 114.847 114.554 0.505 0.000 2.904 358 T HA 0.037 4.433 4.350 0.077 0.000 0.267 358 T C 1.789 176.593 174.700 0.174 0.000 1.059 358 T CA 2.058 64.326 62.100 0.280 0.000 1.137 358 T CB 0.005 68.994 68.868 0.202 0.000 0.879 358 T HN 0.460 nan 8.240 nan 0.000 0.467 359 E N -0.383 119.921 120.200 0.174 0.000 2.230 359 E HA -0.052 4.344 4.350 0.077 0.000 0.192 359 E C 1.634 178.300 176.600 0.109 0.000 0.987 359 E CA 0.724 57.190 56.400 0.110 0.000 0.841 359 E CB 0.202 29.955 29.700 0.089 0.000 0.783 359 E HN 0.442 nan 8.360 nan 0.000 0.481 360 E N -0.080 120.184 120.200 0.106 0.000 2.415 360 E HA 0.025 4.421 4.350 0.077 0.000 0.197 360 E C 1.627 178.219 176.600 -0.013 0.000 1.007 360 E CA -0.022 56.373 56.400 -0.008 0.000 0.890 360 E CB 0.070 29.651 29.700 -0.198 0.000 0.891 360 E HN 0.098 nan 8.360 nan 0.000 0.496 361 R N 0.774 121.307 120.500 0.055 0.000 2.143 361 R HA -0.228 4.158 4.340 0.077 0.000 0.239 361 R C 1.936 178.305 176.300 0.115 0.000 1.126 361 R CA 2.235 58.376 56.100 0.068 0.000 0.927 361 R CB -0.195 30.161 30.300 0.092 0.000 0.860 361 R HN 0.184 nan 8.270 nan 0.000 0.433 362 M N -0.358 119.348 119.600 0.177 0.000 2.200 362 M HA -0.088 4.438 4.480 0.077 0.000 0.265 362 M C 2.344 178.989 176.300 0.575 0.000 1.066 362 M CA 1.490 56.958 55.300 0.282 0.000 1.127 362 M CB 0.135 32.866 32.600 0.218 0.000 1.379 362 M HN 0.198 nan 8.290 nan 0.000 0.420 363 S N 0.126 116.147 115.700 0.536 0.000 2.383 363 S HA -0.092 4.424 4.470 0.077 0.000 0.227 363 S C 1.911 176.706 174.600 0.325 0.000 1.026 363 S CA 1.092 59.580 58.200 0.481 0.000 0.981 363 S CB -0.269 63.051 63.200 0.200 0.000 0.818 363 S HN 0.250 nan 8.310 nan 0.000 0.472 364 V N 1.809 121.819 119.914 0.160 0.000 2.453 364 V HA -0.096 4.070 4.120 0.077 0.000 0.247 364 V C 1.985 178.173 176.094 0.158 0.000 1.048 364 V CA 1.276 63.613 62.300 0.061 0.000 1.049 364 V CB -0.609 31.117 31.823 -0.161 0.000 0.672 364 V HN 0.431 nan 8.190 nan 0.000 0.457 365 I N -0.990 119.727 120.570 0.244 0.000 2.202 365 I HA -0.269 3.947 4.170 0.077 0.000 0.242 365 I C 2.417 178.740 176.117 0.344 0.000 1.091 365 I CA 1.862 63.331 61.300 0.282 0.000 1.368 365 I CB -0.438 37.741 38.000 0.297 0.000 1.058 365 I HN 0.463 nan 8.210 nan 0.000 0.410 366 W N 2.360 123.824 121.300 0.274 0.000 2.304 366 W HA -0.333 4.372 4.660 0.076 0.000 0.315 366 W C 2.171 178.712 176.519 0.036 0.000 1.233 366 W CA 2.551 59.894 57.345 -0.003 0.000 1.261 366 W CB -0.357 29.131 29.460 0.046 0.000 1.150 366 W HN 0.270 nan 8.180 nan 0.000 0.494 367 D N -0.126 120.429 120.400 0.258 0.000 2.097 367 D HA -0.182 4.505 4.640 0.077 0.000 0.197 367 D C 2.103 178.425 176.300 0.036 0.000 0.984 367 D CA 1.703 55.787 54.000 0.140 0.000 0.826 367 D CB -0.083 40.813 40.800 0.161 0.000 0.973 367 D HN -0.161 nan 8.370 nan 0.000 0.460 368 K N -0.279 120.153 120.400 0.053 0.000 2.243 368 K HA 0.216 4.582 4.320 0.077 0.000 0.201 368 K C 1.583 178.181 176.600 -0.004 0.000 1.051 368 K CA 0.882 57.190 56.287 0.035 0.000 0.970 368 K CB 0.247 32.784 32.500 0.062 0.000 0.755 368 K HN 0.207 nan 8.250 nan 0.000 0.465 369 A N 0.042 122.845 122.820 -0.029 0.000 1.984 369 A HA 0.100 4.466 4.320 0.077 0.000 0.203 369 A C 2.211 179.691 177.584 -0.174 0.000 1.292 369 A CA 0.225 52.225 52.037 -0.063 0.000 0.782 369 A CB 0.004 19.000 19.000 -0.006 0.000 0.924 369 A HN -0.020 nan 8.150 nan 0.000 0.475 370 V N -0.349 119.356 119.914 -0.347 0.000 2.341 370 V HA -0.105 4.061 4.120 0.077 0.000 0.240 370 V C 2.473 178.255 176.094 -0.519 0.000 1.035 370 V CA 1.684 63.606 62.300 -0.630 0.000 1.033 370 V CB -0.560 30.398 31.823 -1.440 0.000 0.678 370 V HN 0.261 nan 8.190 nan 0.000 0.464 371 V N 1.437 121.062 119.914 -0.482 0.000 2.469 371 V HA -0.241 3.925 4.120 0.077 0.000 0.251 371 V C 2.658 178.674 176.094 -0.130 0.000 1.064 371 V CA 2.459 64.622 62.300 -0.228 0.000 1.066 371 V CB -1.248 30.525 31.823 -0.085 0.000 0.667 371 V HN 0.828 nan 8.190 nan 0.000 0.461 372 T N -2.564 111.918 114.554 -0.120 0.000 3.118 372 T HA 0.224 4.620 4.350 0.077 0.000 0.260 372 T C 1.600 176.254 174.700 -0.076 0.000 1.139 372 T CA 0.912 62.969 62.100 -0.071 0.000 1.085 372 T CB 0.282 69.124 68.868 -0.044 0.000 0.934 372 T HN 0.961 nan 8.240 nan 0.000 0.518 373 G N 1.422 110.154 108.800 -0.114 0.000 2.159 373 G HA2 -0.315 3.692 3.960 0.077 0.000 0.256 373 G HA3 -0.315 3.692 3.960 0.077 0.000 0.256 373 G C 0.826 175.675 174.900 -0.086 0.000 0.977 373 G CA 0.512 45.553 45.100 -0.098 0.000 0.652 373 G HN 0.554 nan 8.290 nan 0.000 0.531 374 K N -0.527 119.820 120.400 -0.088 0.000 2.057 374 K HA 0.160 4.526 4.320 0.077 0.000 0.206 374 K C 1.712 178.267 176.600 -0.074 0.000 1.050 374 K CA 1.650 57.895 56.287 -0.070 0.000 0.935 374 K CB -0.090 32.374 32.500 -0.060 0.000 0.715 374 K HN 0.770 nan 8.250 nan 0.000 0.439 375 M N -0.269 119.272 119.600 -0.098 0.000 2.745 375 M HA 0.351 4.878 4.480 0.077 0.000 0.290 375 M C -1.672 174.547 176.300 -0.135 0.000 1.262 375 M CA -1.127 54.121 55.300 -0.086 0.000 0.795 375 M CB 2.041 34.611 32.600 -0.050 0.000 1.758 375 M HN -0.158 nan 8.290 nan 0.000 0.461 376 D N -0.932 119.408 120.400 -0.099 0.000 2.525 376 D HA 0.251 4.937 4.640 0.077 0.000 0.249 376 D C 0.422 176.671 176.300 -0.086 0.000 1.072 376 D CA -0.376 53.550 54.000 -0.124 0.000 1.067 376 D CB 0.549 41.313 40.800 -0.061 0.000 1.282 376 D HN 0.851 nan 8.370 nan 0.000 0.587 377 E N 0.087 120.252 120.200 -0.058 0.000 2.209 377 E HA -0.272 4.124 4.350 0.077 0.000 0.196 377 E C 0.678 177.390 176.600 0.186 0.000 0.993 377 E CA 1.302 57.772 56.400 0.117 0.000 0.819 377 E CB -0.588 29.244 29.700 0.219 0.000 0.745 377 E HN 0.466 nan 8.360 nan 0.000 0.477 378 N N 0.943 119.701 118.700 0.097 0.000 2.207 378 N HA -0.097 4.689 4.740 0.077 0.000 0.182 378 N C 1.785 177.335 175.510 0.068 0.000 1.020 378 N CA 1.152 54.248 53.050 0.077 0.000 0.858 378 N CB -0.050 38.466 38.487 0.047 0.000 0.991 378 N HN 0.205 nan 8.380 nan 0.000 0.427 379 Q N 0.007 119.840 119.800 0.056 0.000 2.135 379 Q HA -0.165 4.221 4.340 0.077 0.000 0.204 379 Q C 1.533 177.572 176.000 0.065 0.000 0.981 379 Q CA 1.185 57.010 55.803 0.037 0.000 0.856 379 Q CB -0.272 28.474 28.738 0.013 0.000 0.902 379 Q HN 0.398 nan 8.270 nan 0.000 0.425 380 F N 0.855 120.775 119.950 -0.050 0.000 2.102 380 F HA -0.227 4.347 4.527 0.078 0.000 0.298 380 F C 1.964 177.735 175.800 -0.048 0.000 1.105 380 F CA 1.144 59.120 58.000 -0.039 0.000 1.239 380 F CB -0.228 38.780 39.000 0.012 0.000 0.991 380 F HN -0.192 nan 8.300 nan 0.000 0.474 381 V N 0.708 120.624 119.914 0.003 0.000 2.237 381 V HA -0.305 3.861 4.120 0.077 0.000 0.245 381 V C 2.795 178.799 176.094 -0.150 0.000 1.046 381 V CA 1.818 64.046 62.300 -0.121 0.000 1.007 381 V CB -1.640 30.183 31.823 -0.000 0.000 0.638 381 V HN 0.507 nan 8.190 nan 0.000 0.445 382 A N 0.555 123.325 122.820 -0.084 0.000 1.909 382 A HA -0.275 4.091 4.320 0.077 0.000 0.221 382 A C 2.325 179.838 177.584 -0.118 0.000 1.223 382 A CA 3.234 55.214 52.037 -0.096 0.000 0.658 382 A CB -1.020 17.945 19.000 -0.059 0.000 0.831 382 A HN 0.956 nan 8.150 nan 0.000 0.462 383 V N -2.827 117.009 119.914 -0.131 0.000 3.506 383 V HA 0.046 4.213 4.120 0.077 0.000 0.263 383 V C 1.838 177.831 176.094 -0.168 0.000 1.203 383 V CA 1.926 64.157 62.300 -0.114 0.000 1.133 383 V CB -0.866 30.910 31.823 -0.077 0.000 0.802 383 V HN 0.724 nan 8.190 nan 0.000 0.459 384 T N -2.133 112.241 114.554 -0.301 0.000 3.037 384 T HA 0.215 4.611 4.350 0.077 0.000 0.251 384 T C 1.458 176.042 174.700 -0.194 0.000 1.079 384 T CA 1.012 62.916 62.100 -0.327 0.000 1.067 384 T CB 0.236 68.709 68.868 -0.658 0.000 0.948 384 T HN 0.788 nan 8.240 nan 0.000 0.496 385 S N 0.326 115.931 115.700 -0.158 0.000 3.916 385 S HA 0.071 4.587 4.470 0.077 0.000 0.231 385 S C 1.885 176.446 174.600 -0.065 0.000 1.161 385 S CA 0.635 58.785 58.200 -0.083 0.000 0.938 385 S CB -0.289 62.867 63.200 -0.074 0.000 1.170 385 S HN 0.327 nan 8.310 nan 0.000 0.508 386 T N 1.932 116.433 114.554 -0.088 0.000 2.915 386 T HA 0.012 4.409 4.350 0.077 0.000 0.269 386 T C 1.522 176.072 174.700 -0.251 0.000 1.071 386 T CA 1.708 63.744 62.100 -0.107 0.000 1.132 386 T CB -0.768 68.058 68.868 -0.070 0.000 0.878 386 T HN 0.328 nan 8.240 nan 0.000 0.479 387 N N 1.448 120.014 118.700 -0.223 0.000 2.142 387 N HA 0.102 4.888 4.740 0.077 0.000 0.186 387 N C 2.251 177.623 175.510 -0.230 0.000 1.023 387 N CA 1.415 54.295 53.050 -0.283 0.000 0.852 387 N CB -0.835 37.576 38.487 -0.126 0.000 0.998 387 N HN 0.587 nan 8.380 nan 0.000 0.424 388 A N 1.046 123.824 122.820 -0.070 0.000 1.883 388 A HA -0.032 4.334 4.320 0.077 0.000 0.217 388 A C 2.344 179.979 177.584 0.085 0.000 1.186 388 A CA 2.056 54.141 52.037 0.079 0.000 0.624 388 A CB -0.952 18.143 19.000 0.158 0.000 0.822 388 A HN 0.311 nan 8.150 nan 0.000 0.444 389 A N -0.510 122.319 122.820 0.015 0.000 1.978 389 A HA -0.189 4.177 4.320 0.077 0.000 0.220 389 A C 2.124 179.688 177.584 -0.034 0.000 1.170 389 A CA 1.949 54.009 52.037 0.039 0.000 0.636 389 A CB -0.383 18.672 19.000 0.093 0.000 0.810 389 A HN 0.571 nan 8.150 nan 0.000 0.448 390 K N -0.553 119.690 120.400 -0.261 0.000 2.116 390 K HA -0.032 4.334 4.320 0.077 0.000 0.203 390 K C 1.953 178.391 176.600 -0.270 0.000 1.052 390 K CA 1.276 57.289 56.287 -0.456 0.000 0.952 390 K CB -0.262 31.534 32.500 -1.173 0.000 0.729 390 K HN 0.490 nan 8.250 nan 0.000 0.446 391 V N -1.154 118.564 119.914 -0.327 0.000 2.667 391 V HA -0.075 4.091 4.120 0.077 0.000 0.252 391 V C 1.225 176.997 176.094 -0.536 0.000 1.065 391 V CA 1.391 63.417 62.300 -0.457 0.000 1.083 391 V CB -0.404 30.905 31.823 -0.857 0.000 0.692 391 V HN 0.073 nan 8.190 nan 0.000 0.468 392 F N 0.909 120.824 119.950 -0.059 0.000 2.678 392 F HA 0.486 5.055 4.527 0.071 0.000 0.305 392 F C 1.118 176.887 175.800 -0.052 0.000 1.090 392 F CA -0.292 57.668 58.000 -0.068 0.000 1.272 392 F CB -0.427 38.510 39.000 -0.104 0.000 1.060 392 F HN 0.324 nan 8.300 nan 0.000 0.576 393 N N 0.585 119.343 118.700 0.096 0.000 2.861 393 N HA -0.172 4.614 4.740 0.077 0.000 0.247 393 N C -0.177 175.368 175.510 0.058 0.000 1.117 393 N CA 0.373 53.471 53.050 0.080 0.000 0.703 393 N CB -1.504 37.028 38.487 0.074 0.000 1.052 393 N HN 0.333 nan 8.380 nan 0.000 0.555 394 L N -0.719 120.545 121.223 0.068 0.000 3.014 394 L HA 0.313 4.699 4.340 0.077 0.000 0.263 394 L C -0.008 176.899 176.870 0.062 0.000 1.207 394 L CA -0.347 54.513 54.840 0.034 0.000 1.017 394 L CB 0.164 42.235 42.059 0.020 0.000 1.360 394 L HN 0.266 nan 8.230 nan 0.000 0.560 395 Y N 1.903 122.175 120.300 -0.047 0.000 2.377 395 Y HA 0.483 5.079 4.550 0.077 0.000 0.339 395 Y C -1.727 174.151 175.900 -0.036 0.000 1.011 395 Y CA -1.929 56.136 58.100 -0.057 0.000 1.093 395 Y CB 1.599 40.000 38.460 -0.098 0.000 1.201 395 Y HN -0.087 nan 8.280 nan 0.000 0.455 396 P HA 0.166 nan 4.420 nan 0.000 0.256 396 P C 0.988 178.081 177.300 -0.346 0.000 1.384 396 P CA 0.192 62.715 63.100 -0.962 0.000 0.879 396 P CB 0.161 31.266 31.700 -0.992 0.000 1.403 397 R N 0.886 121.269 120.500 -0.194 0.000 2.113 397 R HA -0.098 4.288 4.340 0.077 0.000 0.244 397 R C 0.431 176.682 176.300 -0.082 0.000 1.142 397 R CA 1.336 57.369 56.100 -0.111 0.000 0.953 397 R CB 0.141 30.395 30.300 -0.077 0.000 0.860 397 R HN 0.082 nan 8.270 nan 0.000 0.438 398 K N -1.912 118.458 120.400 -0.049 0.000 2.306 398 K HA 0.291 4.657 4.320 0.077 0.000 0.236 398 K C 0.295 176.923 176.600 0.047 0.000 1.013 398 K CA -0.015 56.266 56.287 -0.011 0.000 0.857 398 K CB 1.602 34.099 32.500 -0.004 0.000 1.214 398 K HN 0.294 nan 8.250 nan 0.000 0.449 399 G N 0.864 109.691 108.800 0.044 0.000 2.148 399 G HA2 -0.298 3.708 3.960 0.077 0.000 0.254 399 G HA3 -0.298 3.708 3.960 0.077 0.000 0.254 399 G C 0.090 175.051 174.900 0.103 0.000 0.981 399 G CA 0.807 45.952 45.100 0.076 0.000 0.670 399 G HN 0.528 nan 8.290 nan 0.000 0.528 400 R N -0.565 119.966 120.500 0.052 0.000 2.522 400 R HA 0.459 4.845 4.340 0.077 0.000 0.273 400 R C -0.924 175.376 176.300 -0.000 0.000 1.133 400 R CA -1.078 55.049 56.100 0.045 0.000 0.969 400 R CB 0.567 30.887 30.300 0.033 0.000 1.235 400 R HN 0.025 nan 8.270 nan 0.000 0.433 401 I N 3.803 124.380 120.570 0.011 0.000 2.294 401 I HA 0.454 4.670 4.170 0.077 0.000 0.295 401 I C 0.147 176.292 176.117 0.046 0.000 1.098 401 I CA -0.266 61.038 61.300 0.008 0.000 1.277 401 I CB 0.105 38.093 38.000 -0.022 0.000 1.434 401 I HN 0.674 nan 8.210 nan 0.000 0.498 402 A N 5.601 128.434 122.820 0.021 0.000 2.606 402 A HA 0.678 5.044 4.320 0.077 0.000 0.293 402 A C -0.909 176.680 177.584 0.008 0.000 1.082 402 A CA -0.611 51.443 52.037 0.028 0.000 0.685 402 A CB 1.321 20.314 19.000 -0.012 0.000 1.284 402 A HN 0.161 nan 8.150 nan 0.000 0.408 403 V N 1.624 121.548 119.914 0.018 0.000 2.485 403 V HA 0.436 4.603 4.120 0.077 0.000 0.287 403 V C 1.494 177.578 176.094 -0.015 0.000 1.022 403 V CA 2.328 64.634 62.300 0.010 0.000 1.067 403 V CB 0.366 32.203 31.823 0.023 0.000 0.967 403 V HN 2.266 nan 8.190 nan 0.000 0.479 404 G N 4.037 112.824 108.800 -0.022 0.000 2.232 404 G HA2 -0.219 3.787 3.960 0.077 0.000 0.226 404 G HA3 -0.219 3.787 3.960 0.077 0.000 0.226 404 G C 0.467 175.336 174.900 -0.052 0.000 0.996 404 G CA 0.131 45.209 45.100 -0.036 0.000 0.626 404 G HN 0.706 nan 8.290 nan 0.000 0.509 405 S N 1.218 116.883 115.700 -0.058 0.000 2.600 405 S HA 0.483 4.999 4.470 0.077 0.000 0.265 405 S C 0.089 174.656 174.600 -0.055 0.000 1.325 405 S CA -0.360 57.798 58.200 -0.070 0.000 1.002 405 S CB 0.827 63.981 63.200 -0.078 0.000 0.921 405 S HN 0.360 nan 8.310 nan 0.000 0.554 406 D N 1.216 121.584 120.400 -0.054 0.000 2.362 406 D HA 0.340 5.027 4.640 0.077 0.000 0.242 406 D C -0.046 176.230 176.300 -0.039 0.000 1.132 406 D CA -0.028 53.945 54.000 -0.045 0.000 0.907 406 D CB 0.574 41.350 40.800 -0.041 0.000 1.195 406 D HN 0.531 nan 8.370 nan 0.000 0.429 407 A N 2.119 124.915 122.820 -0.040 0.000 3.091 407 A HA 0.187 4.553 4.320 0.077 0.000 0.264 407 A C -0.631 176.940 177.584 -0.022 0.000 1.673 407 A CA -0.378 51.636 52.037 -0.038 0.000 1.362 407 A CB -0.337 18.631 19.000 -0.053 0.000 1.137 407 A HN 0.237 nan 8.150 nan 0.000 0.617 408 D N 1.193 121.584 120.400 -0.016 0.000 2.440 408 D HA 0.640 5.326 4.640 0.077 0.000 0.239 408 D C -0.471 175.828 176.300 -0.001 0.000 1.084 408 D CA 0.273 54.271 54.000 -0.003 0.000 0.843 408 D CB 1.304 42.103 40.800 -0.002 0.000 1.097 408 D HN 0.361 nan 8.370 nan 0.000 0.531 409 L N 0.966 122.193 121.223 0.007 0.000 2.415 409 L HA 0.675 5.061 4.340 0.077 0.000 0.256 409 L C -1.006 175.883 176.870 0.032 0.000 1.010 409 L CA -1.126 53.720 54.840 0.010 0.000 0.826 409 L CB 2.645 44.705 42.059 0.002 0.000 1.405 409 L HN -0.034 nan 8.230 nan 0.000 0.410 410 V N 2.152 122.093 119.914 0.046 0.000 2.733 410 V HA 0.427 4.593 4.120 0.077 0.000 0.306 410 V C -0.417 175.731 176.094 0.091 0.000 1.084 410 V CA -0.380 61.974 62.300 0.090 0.000 0.905 410 V CB 2.339 34.256 31.823 0.156 0.000 1.010 410 V HN 0.477 nan 8.190 nan 0.000 0.424 411 I N 4.551 125.169 120.570 0.080 0.000 2.301 411 I HA 0.229 4.445 4.170 0.077 0.000 0.292 411 I C -0.323 175.855 176.117 0.102 0.000 1.046 411 I CA 0.013 61.356 61.300 0.071 0.000 1.282 411 I CB 0.559 38.577 38.000 0.031 0.000 1.409 411 I HN 0.629 nan 8.210 nan 0.000 0.484 412 W N 7.343 128.567 121.300 -0.126 0.000 2.469 412 W HA 0.236 4.942 4.660 0.077 0.000 0.320 412 W C -0.745 175.626 176.519 -0.246 0.000 1.086 412 W CA -0.419 56.797 57.345 -0.214 0.000 1.211 412 W CB 1.620 30.898 29.460 -0.303 0.000 1.298 412 W HN 0.424 nan 8.180 nan 0.000 0.525 413 D N 7.875 127.870 120.400 -0.674 0.000 2.443 413 D HA 0.184 4.870 4.640 0.077 0.000 0.221 413 D C -1.347 174.504 176.300 -0.747 0.000 1.097 413 D CA -2.420 51.265 54.000 -0.525 0.000 0.865 413 D CB 1.625 42.184 40.800 -0.402 0.000 1.034 413 D HN 0.115 nan 8.370 nan 0.000 0.511 414 P HA 0.007 nan 4.420 nan 0.000 0.229 414 P C 0.193 177.486 177.300 -0.012 0.000 1.160 414 P CA 0.538 63.464 63.100 -0.289 0.000 0.777 414 P CB 0.781 32.549 31.700 0.113 0.000 0.814 415 D N -0.338 120.022 120.400 -0.066 0.000 2.388 415 D HA -0.003 4.683 4.640 0.077 0.000 0.208 415 D C 0.760 177.036 176.300 -0.040 0.000 1.035 415 D CA 0.462 54.461 54.000 -0.002 0.000 0.875 415 D CB 0.020 40.824 40.800 0.006 0.000 0.984 415 D HN 0.202 nan 8.370 nan 0.000 0.508 416 S N 1.081 116.712 115.700 -0.114 0.000 2.525 416 S HA 0.220 4.736 4.470 0.077 0.000 0.285 416 S C 0.171 174.722 174.600 -0.083 0.000 1.283 416 S CA -0.602 57.531 58.200 -0.111 0.000 1.072 416 S CB 1.290 64.384 63.200 -0.176 0.000 0.867 416 S HN -0.127 nan 8.310 nan 0.000 0.492 417 V N 4.370 124.257 119.914 -0.046 0.000 2.394 417 V HA 0.498 4.664 4.120 0.077 0.000 0.282 417 V C 0.217 176.291 176.094 -0.033 0.000 1.031 417 V CA -0.563 61.723 62.300 -0.023 0.000 0.881 417 V CB 1.077 32.900 31.823 0.000 0.000 0.982 417 V HN 0.902 nan 8.190 nan 0.000 0.451 418 K N 2.119 122.500 120.400 -0.031 0.000 2.426 418 K HA 0.581 4.948 4.320 0.077 0.000 0.251 418 K C -0.665 175.930 176.600 -0.008 0.000 0.941 418 K CA -0.709 55.559 56.287 -0.031 0.000 0.808 418 K CB 2.349 34.817 32.500 -0.053 0.000 1.265 418 K HN 0.638 nan 8.250 nan 0.000 0.432 419 T N 2.724 117.275 114.554 -0.005 0.000 2.780 419 T HA 0.309 4.706 4.350 0.077 0.000 0.294 419 T C 0.447 175.155 174.700 0.013 0.000 0.949 419 T CA -0.412 61.694 62.100 0.010 0.000 1.074 419 T CB 0.168 69.039 68.868 0.005 0.000 0.910 419 T HN 0.309 nan 8.240 nan 0.000 0.501 420 I N 3.021 123.615 120.570 0.039 0.000 2.471 420 I HA 0.345 4.561 4.170 0.077 0.000 0.286 420 I C 0.701 176.840 176.117 0.037 0.000 1.079 420 I CA 0.254 61.590 61.300 0.060 0.000 1.398 420 I CB 0.864 38.937 38.000 0.121 0.000 1.403 420 I HN 0.517 nan 8.210 nan 0.000 0.530 421 S N 3.627 119.317 115.700 -0.016 0.000 2.550 421 S HA 0.599 5.116 4.470 0.077 0.000 0.270 421 S C 0.558 174.959 174.600 -0.331 0.000 1.145 421 S CA -0.099 58.033 58.200 -0.114 0.000 0.852 421 S CB 1.713 64.853 63.200 -0.100 0.000 1.119 421 S HN 0.665 nan 8.310 nan 0.000 0.465 422 A N 3.209 125.740 122.820 -0.481 0.000 2.019 422 A HA 0.008 4.374 4.320 0.077 0.000 0.219 422 A C 1.790 179.018 177.584 -0.594 0.000 1.164 422 A CA 1.271 52.742 52.037 -0.944 0.000 0.644 422 A CB -0.467 18.226 19.000 -0.512 0.000 0.805 422 A HN 0.834 nan 8.150 nan 0.000 0.449 423 K N -1.452 118.761 120.400 -0.311 0.000 2.281 423 K HA -0.103 4.263 4.320 0.077 0.000 0.203 423 K C 1.369 177.896 176.600 -0.122 0.000 1.046 423 K CA 1.571 57.753 56.287 -0.174 0.000 0.938 423 K CB -0.097 32.331 32.500 -0.119 0.000 0.737 423 K HN 0.429 nan 8.250 nan 0.000 0.458 424 T N -0.360 114.113 114.554 -0.135 0.000 2.986 424 T HA 0.020 4.416 4.350 0.077 0.000 0.264 424 T C 0.118 174.841 174.700 0.039 0.000 0.964 424 T CA -0.392 61.682 62.100 -0.044 0.000 0.895 424 T CB 0.202 69.045 68.868 -0.041 0.000 1.163 424 T HN 0.395 nan 8.240 nan 0.000 0.517 425 H N 0.176 119.236 119.070 -0.016 0.000 2.660 425 H HA 0.356 4.958 4.556 0.077 0.000 0.374 425 H C -0.463 174.848 175.328 -0.028 0.000 1.291 425 H CA -0.445 55.598 56.048 -0.008 0.000 1.437 425 H CB 0.342 30.117 29.762 0.021 0.000 1.509 425 H HN -0.052 nan 8.280 nan 0.000 0.614 426 N N 0.586 119.312 118.700 0.044 0.000 3.131 426 N HA 0.151 4.938 4.740 0.077 0.000 0.312 426 N C -1.307 174.070 175.510 -0.222 0.000 1.433 426 N CA -0.151 52.848 53.050 -0.085 0.000 1.141 426 N CB 0.856 39.271 38.487 -0.120 0.000 1.431 426 N HN 0.395 nan 8.380 nan 0.000 0.523 427 S N -1.282 114.218 115.700 -0.334 0.000 2.632 427 S HA 0.355 4.871 4.470 0.077 0.000 0.289 427 S C 0.826 175.319 174.600 -0.178 0.000 1.115 427 S CA -0.737 57.235 58.200 -0.381 0.000 0.889 427 S CB 1.012 63.783 63.200 -0.715 0.000 1.116 427 S HN 0.313 nan 8.310 nan 0.000 0.486 428 S N 1.515 117.147 115.700 -0.113 0.000 2.461 428 S HA 0.096 4.612 4.470 0.077 0.000 0.228 428 S C 0.571 175.192 174.600 0.036 0.000 1.005 428 S CA 0.160 58.344 58.200 -0.027 0.000 0.942 428 S CB -0.462 62.714 63.200 -0.040 0.000 0.776 428 S HN 0.487 nan 8.310 nan 0.000 0.514 429 L N 2.698 123.938 121.223 0.029 0.000 2.525 429 L HA 0.089 4.475 4.340 0.077 0.000 0.278 429 L C 1.288 178.281 176.870 0.205 0.000 1.218 429 L CA 0.399 55.311 54.840 0.120 0.000 0.878 429 L CB 0.052 42.171 42.059 0.099 0.000 1.127 429 L HN 0.059 nan 8.230 nan 0.000 0.492 430 E N 1.746 122.025 120.200 0.133 0.000 2.204 430 E HA -0.088 4.308 4.350 0.077 0.000 0.194 430 E C -0.702 175.771 176.600 -0.212 0.000 0.989 430 E CA 1.250 57.639 56.400 -0.018 0.000 0.824 430 E CB -0.056 29.659 29.700 0.025 0.000 0.756 430 E HN 0.450 nan 8.360 nan 0.000 0.477 431 Y N -0.337 119.991 120.300 0.047 0.000 2.468 431 Y HA 0.451 5.048 4.550 0.077 0.000 0.342 431 Y C 0.002 175.910 175.900 0.014 0.000 1.021 431 Y CA -1.136 56.959 58.100 -0.010 0.000 1.079 431 Y CB 1.538 39.974 38.460 -0.039 0.000 1.226 431 Y HN -0.197 nan 8.280 nan 0.000 0.460 432 N N 2.684 121.429 118.700 0.074 0.000 2.295 432 N HA 0.200 4.986 4.740 0.077 0.000 0.293 432 N C 0.306 175.689 175.510 -0.213 0.000 1.040 432 N CA -0.447 52.608 53.050 0.010 0.000 0.840 432 N CB 1.581 40.110 38.487 0.071 0.000 1.468 432 N HN 0.842 nan 8.380 nan 0.000 0.478 433 I N -0.224 120.007 120.570 -0.564 0.000 2.916 433 I HA 0.078 4.294 4.170 0.077 0.000 0.267 433 I C -0.061 175.596 176.117 -0.767 0.000 1.263 433 I CA 1.008 61.672 61.300 -1.059 0.000 1.471 433 I CB -0.242 36.835 38.000 -1.539 0.000 1.089 433 I HN 0.176 nan 8.210 nan 0.000 0.468 434 F N 1.317 121.227 119.950 -0.066 0.000 2.684 434 F HA 0.369 4.941 4.527 0.076 0.000 0.298 434 F C 0.821 176.629 175.800 0.013 0.000 1.120 434 F CA -0.972 57.035 58.000 0.012 0.000 1.332 434 F CB -0.620 38.402 39.000 0.035 0.000 0.986 434 F HN -0.012 nan 8.300 nan 0.000 0.524 435 E N 1.088 121.336 120.200 0.080 0.000 2.694 435 E HA 0.283 4.679 4.350 0.077 0.000 0.250 435 E C 1.375 178.016 176.600 0.069 0.000 0.963 435 E CA 1.155 57.586 56.400 0.052 0.000 0.949 435 E CB 0.038 29.749 29.700 0.018 0.000 0.911 435 E HN 0.543 nan 8.360 nan 0.000 0.500 436 G N 3.853 112.689 108.800 0.059 0.000 2.176 436 G HA2 -0.345 3.662 3.960 0.077 0.000 0.253 436 G HA3 -0.345 3.662 3.960 0.077 0.000 0.253 436 G C 0.403 175.348 174.900 0.075 0.000 0.979 436 G CA 0.188 45.322 45.100 0.056 0.000 0.641 436 G HN 0.612 nan 8.290 nan 0.000 0.530 437 M N 1.441 121.106 119.600 0.108 0.000 2.246 437 M HA 0.421 4.948 4.480 0.077 0.000 0.350 437 M C 0.053 176.398 176.300 0.074 0.000 1.406 437 M CA 0.317 55.684 55.300 0.112 0.000 1.089 437 M CB 0.257 32.950 32.600 0.156 0.000 1.782 437 M HN 0.222 nan 8.290 nan 0.000 0.457 438 E N 4.067 124.305 120.200 0.062 0.000 2.089 438 E HA 0.228 4.624 4.350 0.077 0.000 0.284 438 E C -1.462 175.168 176.600 0.050 0.000 1.023 438 E CA -0.283 56.145 56.400 0.045 0.000 0.819 438 E CB 1.044 30.766 29.700 0.037 0.000 1.076 438 E HN 0.623 nan 8.360 nan 0.000 0.396 439 C N 5.007 124.332 119.300 0.041 0.000 2.301 439 C HA 0.423 4.929 4.460 0.077 0.000 0.323 439 C C -0.204 174.818 174.990 0.054 0.000 1.265 439 C CA -0.678 58.372 59.018 0.053 0.000 1.503 439 C CB 0.036 27.797 27.740 0.035 0.000 2.195 439 C HN 0.785 nan 8.230 nan 0.000 0.477 440 R N 3.371 123.933 120.500 0.103 0.000 2.308 440 R HA 0.564 4.950 4.340 0.077 0.000 0.305 440 R C 0.154 176.575 176.300 0.202 0.000 1.053 440 R CA 0.951 57.125 56.100 0.124 0.000 0.957 440 R CB 0.703 31.102 30.300 0.165 0.000 1.022 440 R HN 1.220 nan 8.270 nan 0.000 0.461 441 G N 2.118 110.889 108.800 -0.048 0.000 3.363 441 G HA2 -0.015 3.991 3.960 0.077 0.000 0.685 441 G HA3 -0.015 3.991 3.960 0.077 0.000 0.685 441 G C -1.119 173.364 174.900 -0.695 0.000 1.199 441 G CA -0.323 44.547 45.100 -0.385 0.000 0.946 441 G HN 0.822 nan 8.290 nan 0.000 0.558 442 S N 2.544 117.424 115.700 -1.366 0.000 2.550 442 S HA 0.910 5.426 4.470 0.077 0.000 0.270 442 S C -3.134 170.691 174.600 -1.292 0.000 1.145 442 S CA -1.256 56.290 58.200 -1.090 0.000 0.852 442 S CB 3.379 66.271 63.200 -0.513 0.000 1.119 442 S HN 0.705 nan 8.310 nan 0.000 0.465 443 P HA 0.327 nan 4.420 nan 0.000 0.275 443 P C -0.070 177.098 177.300 -0.220 0.000 1.228 443 P CA -0.526 62.422 63.100 -0.254 0.000 0.786 443 P CB 0.897 32.601 31.700 0.007 0.000 0.927 444 L N 1.387 122.532 121.223 -0.131 0.000 2.526 444 L HA 0.208 4.594 4.340 0.077 0.000 0.210 444 L C 0.406 177.257 176.870 -0.032 0.000 1.048 444 L CA 0.466 55.251 54.840 -0.091 0.000 0.852 444 L CB 0.492 42.500 42.059 -0.084 0.000 1.128 444 L HN 0.103 nan 8.230 nan 0.000 0.482 445 V N 0.045 119.958 119.914 -0.001 0.000 2.789 445 V HA 0.487 4.653 4.120 0.077 0.000 0.311 445 V C -0.778 175.338 176.094 0.038 0.000 1.073 445 V CA -0.713 61.598 62.300 0.019 0.000 0.921 445 V CB 2.621 34.457 31.823 0.021 0.000 1.009 445 V HN -0.251 nan 8.190 nan 0.000 0.426 446 V N 5.102 125.039 119.914 0.038 0.000 2.623 446 V HA 0.560 4.726 4.120 0.077 0.000 0.304 446 V C -0.785 175.332 176.094 0.039 0.000 1.054 446 V CA -0.318 62.009 62.300 0.045 0.000 0.882 446 V CB 1.907 33.756 31.823 0.044 0.000 1.002 446 V HN 0.717 nan 8.190 nan 0.000 0.424 447 I N 3.505 124.095 120.570 0.032 0.000 2.389 447 I HA 0.530 4.746 4.170 0.077 0.000 0.288 447 I C -0.095 176.035 176.117 0.020 0.000 0.999 447 I CA -0.060 61.253 61.300 0.023 0.000 1.129 447 I CB 2.062 40.068 38.000 0.011 0.000 1.288 447 I HN 0.590 nan 8.210 nan 0.000 0.444 448 S N 5.920 121.634 115.700 0.023 0.000 2.596 448 S HA 0.354 4.870 4.470 0.077 0.000 0.318 448 S C -0.180 174.430 174.600 0.017 0.000 1.097 448 S CA -0.271 57.943 58.200 0.024 0.000 1.080 448 S CB 0.573 63.795 63.200 0.036 0.000 0.991 448 S HN 0.705 nan 8.310 nan 0.000 0.471 449 Q N 2.941 122.745 119.800 0.007 0.000 2.494 449 Q HA -0.207 4.180 4.340 0.077 0.000 0.272 449 Q C 0.918 176.909 176.000 -0.014 0.000 1.145 449 Q CA 0.747 56.549 55.803 -0.002 0.000 0.943 449 Q CB -2.125 26.620 28.738 0.010 0.000 1.338 449 Q HN 1.651 nan 8.270 nan 0.000 0.492 450 G N -0.395 108.393 108.800 -0.021 0.000 2.184 450 G HA2 -0.347 3.659 3.960 0.077 0.000 0.264 450 G HA3 -0.347 3.659 3.960 0.077 0.000 0.264 450 G C 0.076 174.963 174.900 -0.022 0.000 0.975 450 G CA 0.883 45.962 45.100 -0.036 0.000 0.642 450 G HN 0.291 nan 8.290 nan 0.000 0.536 451 K N -0.016 120.381 120.400 -0.004 0.000 2.123 451 K HA 0.617 4.983 4.320 0.077 0.000 0.259 451 K C 0.297 176.909 176.600 0.019 0.000 0.960 451 K CA -0.901 55.389 56.287 0.006 0.000 0.872 451 K CB 1.800 34.309 32.500 0.015 0.000 1.079 451 K HN 0.184 nan 8.250 nan 0.000 0.440 452 I N 2.850 123.434 120.570 0.024 0.000 2.396 452 I HA -0.054 4.163 4.170 0.077 0.000 0.289 452 I C 1.202 177.372 176.117 0.088 0.000 1.056 452 I CA -0.093 61.235 61.300 0.047 0.000 1.365 452 I CB 0.802 38.826 38.000 0.041 0.000 1.407 452 I HN 0.487 nan 8.210 nan 0.000 0.509 453 V N 4.817 124.784 119.914 0.089 0.000 3.477 453 V HA 0.400 4.566 4.120 0.077 0.000 0.297 453 V C -0.216 175.916 176.094 0.064 0.000 1.433 453 V CA -0.107 62.251 62.300 0.097 0.000 1.052 453 V CB 0.650 32.508 31.823 0.058 0.000 0.895 453 V HN 0.535 nan 8.190 nan 0.000 0.438 454 L N 2.205 123.467 121.223 0.064 0.000 2.543 454 L HA 0.804 5.191 4.340 0.077 0.000 0.265 454 L C -1.187 175.711 176.870 0.047 0.000 0.945 454 L CA -0.245 54.605 54.840 0.017 0.000 0.869 454 L CB 1.960 44.012 42.059 -0.012 0.000 1.294 454 L HN 0.645 nan 8.230 nan 0.000 0.405 455 E N 2.285 122.517 120.200 0.053 0.000 2.401 455 E HA 0.439 4.835 4.350 0.077 0.000 0.280 455 E C -1.228 175.395 176.600 0.037 0.000 1.039 455 E CA -0.719 55.710 56.400 0.048 0.000 0.814 455 E CB 1.222 30.965 29.700 0.071 0.000 1.275 455 E HN 0.493 nan 8.360 nan 0.000 0.448 456 D N 0.546 120.957 120.400 0.018 0.000 2.882 456 D HA -0.210 4.476 4.640 0.077 0.000 0.229 456 D C 0.799 177.090 176.300 -0.014 0.000 1.167 456 D CA 1.997 56.002 54.000 0.009 0.000 0.759 456 D CB -1.434 39.385 40.800 0.031 0.000 1.088 456 D HN 1.292 nan 8.370 nan 0.000 0.425 457 G N -0.780 108.000 108.800 -0.033 0.000 2.198 457 G HA2 -0.277 3.729 3.960 0.077 0.000 0.257 457 G HA3 -0.277 3.729 3.960 0.077 0.000 0.257 457 G C 0.186 175.044 174.900 -0.071 0.000 1.042 457 G CA 0.629 45.697 45.100 -0.052 0.000 0.791 457 G HN 0.519 nan 8.290 nan 0.000 0.502 458 T N 0.267 114.760 114.554 -0.102 0.000 2.928 458 T HA 0.552 4.948 4.350 0.077 0.000 0.296 458 T C -0.194 174.293 174.700 -0.355 0.000 1.000 458 T CA -0.670 61.308 62.100 -0.204 0.000 0.989 458 T CB 1.678 70.426 68.868 -0.201 0.000 1.005 458 T HN 0.249 nan 8.240 nan 0.000 0.442 459 L N 3.536 124.565 121.223 -0.323 0.000 2.367 459 L HA 0.343 4.729 4.340 0.077 0.000 0.275 459 L C 0.383 176.986 176.870 -0.446 0.000 1.129 459 L CA 0.156 54.821 54.840 -0.291 0.000 0.839 459 L CB -0.088 41.878 42.059 -0.156 0.000 1.133 459 L HN 0.726 nan 8.230 nan 0.000 0.453 460 H N 1.498 120.573 119.070 0.009 0.000 2.355 460 H HA 0.407 5.009 4.556 0.077 0.000 0.232 460 H C -0.416 174.931 175.328 0.031 0.000 1.422 460 H CA -0.699 55.361 56.048 0.020 0.000 1.261 460 H CB 0.552 30.323 29.762 0.015 0.000 1.595 460 H HN 0.407 nan 8.280 nan 0.000 0.529 461 V N -0.652 119.323 119.914 0.103 0.000 2.644 461 V HA 0.523 4.689 4.120 0.077 0.000 0.295 461 V C 0.325 176.513 176.094 0.156 0.000 1.053 461 V CA -0.514 61.851 62.300 0.107 0.000 0.987 461 V CB 1.820 33.678 31.823 0.057 0.000 1.006 461 V HN 0.346 nan 8.190 nan 0.000 0.472 462 T N 3.633 118.271 114.554 0.140 0.000 2.842 462 T HA 0.321 4.717 4.350 0.077 0.000 0.308 462 T C -0.111 174.675 174.700 0.142 0.000 1.041 462 T CA -0.164 62.008 62.100 0.121 0.000 0.964 462 T CB 0.570 69.481 68.868 0.072 0.000 0.972 462 T HN 1.005 nan 8.240 nan 0.000 0.460 463 E N 1.867 122.155 120.200 0.146 0.000 2.900 463 E HA 0.112 4.508 4.350 0.077 0.000 0.259 463 E C 1.382 178.010 176.600 0.047 0.000 0.918 463 E CA 1.482 57.932 56.400 0.083 0.000 0.960 463 E CB -0.138 29.393 29.700 -0.281 0.000 0.908 463 E HN 0.995 nan 8.360 nan 0.000 0.511 464 G N 2.719 111.564 108.800 0.075 0.000 2.199 464 G HA2 -0.377 3.629 3.960 0.077 0.000 0.254 464 G HA3 -0.377 3.629 3.960 0.077 0.000 0.254 464 G C 0.906 175.846 174.900 0.067 0.000 0.982 464 G CA 0.758 45.887 45.100 0.048 0.000 0.632 464 G HN 0.796 nan 8.290 nan 0.000 0.529 465 S N 0.214 115.960 115.700 0.078 0.000 2.481 465 S HA 0.404 4.920 4.470 0.077 0.000 0.231 465 S C 1.550 176.207 174.600 0.095 0.000 0.996 465 S CA 1.022 59.267 58.200 0.075 0.000 0.942 465 S CB 0.029 63.271 63.200 0.069 0.000 0.768 465 S HN 1.701 nan 8.310 nan 0.000 0.520 466 G N 1.499 110.375 108.800 0.126 0.000 2.442 466 G HA2 0.442 4.449 3.960 0.077 0.000 0.249 466 G HA3 0.442 4.449 3.960 0.077 0.000 0.249 466 G C -0.309 174.731 174.900 0.233 0.000 1.263 466 G CA -0.832 44.376 45.100 0.179 0.000 0.846 466 G HN 0.426 nan 8.290 nan 0.000 0.555 467 R N 0.351 120.958 120.500 0.178 0.000 2.486 467 R HA 0.232 4.618 4.340 0.077 0.000 0.286 467 R C -0.894 175.399 176.300 -0.012 0.000 0.999 467 R CA -0.783 55.389 56.100 0.121 0.000 0.993 467 R CB 1.483 31.805 30.300 0.037 0.000 1.084 467 R HN 0.620 nan 8.270 nan 0.000 0.487 468 Y N 3.102 123.230 120.300 -0.286 0.000 2.465 468 Y HA 0.107 4.702 4.550 0.074 0.000 0.331 468 Y C -0.365 175.331 175.900 -0.339 0.000 1.102 468 Y CA -0.133 57.565 58.100 -0.670 0.000 1.358 468 Y CB 0.576 38.733 38.460 -0.506 0.000 1.213 468 Y HN 0.348 nan 8.280 nan 0.000 0.525 469 I N 9.640 129.675 120.570 -0.892 0.000 2.328 469 I HA 0.257 4.473 4.170 0.077 0.000 0.287 469 I C -2.419 173.192 176.117 -0.844 0.000 1.012 469 I CA -2.604 58.342 61.300 -0.591 0.000 1.195 469 I CB 0.944 38.708 38.000 -0.394 0.000 1.350 469 I HN 0.493 nan 8.210 nan 0.000 0.464 470 P HA 0.384 nan 4.420 nan 0.000 0.277 470 P C -0.840 176.344 177.300 -0.192 0.000 1.240 470 P CA -0.617 62.330 63.100 -0.255 0.000 0.798 470 P CB 1.016 32.742 31.700 0.042 0.000 0.979 471 R N 1.613 122.032 120.500 -0.134 0.000 2.439 471 R HA 0.381 4.767 4.340 0.077 0.000 0.310 471 R C 0.084 176.363 176.300 -0.035 0.000 0.955 471 R CA -0.821 55.225 56.100 -0.090 0.000 0.853 471 R CB 1.931 32.167 30.300 -0.107 0.000 1.171 471 R HN 0.375 nan 8.270 nan 0.000 0.449 472 K N 3.582 123.976 120.400 -0.010 0.000 2.258 472 K HA 0.202 4.568 4.320 0.077 0.000 0.264 472 K C -2.019 174.585 176.600 0.007 0.000 1.007 472 K CA -1.382 54.910 56.287 0.010 0.000 0.941 472 K CB 0.475 32.994 32.500 0.032 0.000 0.966 472 K HN 0.285 nan 8.250 nan 0.000 0.480 473 P HA 0.129 nan 4.420 nan 0.000 0.279 473 P C -0.626 176.624 177.300 -0.082 0.000 1.276 473 P CA -0.355 62.646 63.100 -0.165 0.000 0.801 473 P CB 0.249 31.765 31.700 -0.306 0.000 1.127 474 F N -3.644 116.160 119.950 -0.243 0.000 3.040 474 F HA -0.131 4.445 4.527 0.082 0.000 0.298 474 F C -1.711 174.096 175.800 0.012 0.000 0.948 474 F CA -0.122 57.679 58.000 -0.331 0.000 1.022 474 F CB -2.865 35.962 39.000 -0.288 0.000 1.023 474 F HN 0.245 nan 8.300 nan 0.000 0.742 475 P HA 0.021 nan 4.420 nan 0.000 0.264 475 P C 0.843 178.318 177.300 0.292 0.000 1.193 475 P CA 0.224 63.460 63.100 0.227 0.000 0.763 475 P CB 0.869 32.670 31.700 0.168 0.000 0.810 476 D N 2.032 122.573 120.400 0.235 0.000 2.133 476 D HA -0.200 4.486 4.640 0.077 0.000 0.195 476 D C 1.457 177.892 176.300 0.225 0.000 0.997 476 D CA 1.284 55.415 54.000 0.218 0.000 0.840 476 D CB -0.679 40.226 40.800 0.174 0.000 0.947 476 D HN 0.375 nan 8.370 nan 0.000 0.452 477 F N 1.034 121.020 119.950 0.061 0.000 2.154 477 F HA -0.221 4.351 4.527 0.075 0.000 0.301 477 F C 2.095 177.925 175.800 0.050 0.000 1.087 477 F CA 1.044 59.056 58.000 0.020 0.000 1.274 477 F CB -0.044 38.923 39.000 -0.054 0.000 1.009 477 F HN -0.181 nan 8.300 nan 0.000 0.485 478 V N -1.925 118.043 119.914 0.091 0.000 2.492 478 V HA -0.184 3.983 4.120 0.077 0.000 0.241 478 V C 1.601 177.644 176.094 -0.086 0.000 1.041 478 V CA 1.334 63.628 62.300 -0.010 0.000 1.057 478 V CB -0.733 31.102 31.823 0.020 0.000 0.711 478 V HN 0.240 nan 8.190 nan 0.000 0.468 479 Y N 0.221 120.571 120.300 0.084 0.000 2.500 479 Y HA 0.141 4.735 4.550 0.073 0.000 0.270 479 Y C 2.289 178.238 175.900 0.083 0.000 1.134 479 Y CA 0.474 58.644 58.100 0.116 0.000 1.293 479 Y CB 0.079 38.681 38.460 0.237 0.000 1.063 479 Y HN 0.134 nan 8.280 nan 0.000 0.534 480 K N -0.014 120.485 120.400 0.165 0.000 2.148 480 K HA -0.143 4.223 4.320 0.077 0.000 0.204 480 K C 1.990 178.617 176.600 0.044 0.000 1.050 480 K CA 1.126 57.471 56.287 0.098 0.000 0.942 480 K CB -0.037 32.505 32.500 0.070 0.000 0.724 480 K HN 0.288 nan 8.250 nan 0.000 0.446 481 R N 0.433 120.931 120.500 -0.003 0.000 2.075 481 R HA -0.067 4.319 4.340 0.077 0.000 0.232 481 R C 2.237 178.520 176.300 -0.029 0.000 1.126 481 R CA 1.091 57.168 56.100 -0.037 0.000 0.963 481 R CB -0.304 29.944 30.300 -0.087 0.000 0.858 481 R HN 0.059 nan 8.270 nan 0.000 0.435 482 I N 1.343 121.888 120.570 -0.043 0.000 2.163 482 I HA -0.301 3.915 4.170 0.077 0.000 0.243 482 I C 2.063 178.225 176.117 0.075 0.000 1.085 482 I CA 1.654 62.941 61.300 -0.021 0.000 1.347 482 I CB -0.155 37.766 38.000 -0.131 0.000 1.044 482 I HN 0.041 nan 8.210 nan 0.000 0.408 483 K N 0.275 120.757 120.400 0.138 0.000 2.063 483 K HA -0.164 4.202 4.320 0.077 0.000 0.208 483 K C 2.186 178.816 176.600 0.051 0.000 1.048 483 K CA 1.621 57.972 56.287 0.107 0.000 0.928 483 K CB -0.426 32.132 32.500 0.097 0.000 0.713 483 K HN 0.363 nan 8.250 nan 0.000 0.442 484 A N 1.392 124.232 122.820 0.034 0.000 2.015 484 A HA -0.145 4.222 4.320 0.077 0.000 0.219 484 A C 1.994 179.583 177.584 0.008 0.000 1.163 484 A CA 1.181 53.226 52.037 0.014 0.000 0.646 484 A CB -0.290 18.713 19.000 0.005 0.000 0.806 484 A HN 0.205 nan 8.150 nan 0.000 0.448 485 R N -0.456 120.048 120.500 0.006 0.000 2.073 485 R HA -0.027 4.359 4.340 0.077 0.000 0.229 485 R C 2.427 178.733 176.300 0.010 0.000 1.120 485 R CA 1.278 57.378 56.100 -0.000 0.000 0.967 485 R CB -0.339 29.952 30.300 -0.014 0.000 0.862 485 R HN 0.476 nan 8.270 nan 0.000 0.436 486 S N 0.869 116.584 115.700 0.025 0.000 2.387 486 S HA -0.171 4.345 4.470 0.077 0.000 0.230 486 S C 1.778 176.391 174.600 0.021 0.000 1.035 486 S CA 1.343 59.562 58.200 0.031 0.000 1.014 486 S CB -0.193 63.037 63.200 0.050 0.000 0.836 486 S HN 0.337 nan 8.310 nan 0.000 0.466 487 R N 0.349 120.859 120.500 0.017 0.000 2.115 487 R HA 0.093 4.479 4.340 0.077 0.000 0.230 487 R C 0.376 176.681 176.300 0.008 0.000 1.111 487 R CA 0.431 56.537 56.100 0.011 0.000 0.976 487 R CB -0.400 29.904 30.300 0.008 0.000 0.870 487 R HN 0.350 nan 8.270 nan 0.000 0.445 488 L N 1.188 122.415 121.223 0.007 0.000 2.461 488 L HA 0.140 4.526 4.340 0.077 0.000 0.272 488 L C 0.557 177.430 176.870 0.006 0.000 1.197 488 L CA -0.556 54.286 54.840 0.004 0.000 0.836 488 L CB 0.527 42.586 42.059 -0.000 0.000 1.105 488 L HN 0.113 nan 8.230 nan 0.000 0.477 489 A N 2.651 125.474 122.820 0.005 0.000 2.271 489 A HA 0.364 4.730 4.320 0.077 0.000 0.288 489 A C 0.225 177.813 177.584 0.007 0.000 1.094 489 A CA -0.646 51.395 52.037 0.007 0.000 0.828 489 A CB 0.417 19.421 19.000 0.006 0.000 1.091 489 A HN 0.699 nan 8.150 nan 0.000 0.493 490 E N 0.000 120.206 120.200 0.009 0.000 2.725 490 E HA 0.000 4.396 4.350 0.077 0.000 0.291 490 E CA 0.000 56.406 56.400 0.010 0.000 0.976 490 E CB 0.000 29.708 29.700 0.013 0.000 0.812 490 E HN 0.000 nan 8.360 nan 0.000 0.440