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 3hqq_1_W DATA FIRST_RESID 1 DATA SEQUENCE SQLAHNLTLS IFDPVANYRA ARIICTIGPS TQSVEALKGL IQSGMSVARM DATA SEQUENCE NFSHGSHEYH QTTINNVRQA AAELGVNIAI ALDTKGPEIR TGQFVGGDAV DATA SEQUENCE MERGATCYVT TDPAFADKGT KDKFYIDYQN LSKVVRPGNY IYIDDGILIL DATA SEQUENCE QVQSHEDEQT LECTVTNSHT ISDRRGVNLP GCDVDLPAVS AKDRVDLQFG DATA SEQUENCE VEQGVDMIFA SFIRSAEQVG DVRKALGPKG RDIMIICKIE NHQGVQNIDS DATA SEQUENCE IIEESDGIMV ARGDLGVEIP AEKVVVAQKI LISKCNVAGK PVICATQMLE DATA SEQUENCE SMTYNPRPTR AEVSDVANAV FNGADCVMLS GETAKGKYPN EVVQYMARIC DATA SEQUENCE LEAQSALNEY VFFNSIKKLQ HIPMSADEAV CSSAVNSVYE TKAKAMVVLS DATA SEQUENCE NTGRSARLVA KYRPNCPIVC VTTRLQTCRQ LNITQGVESV FFDADKLGHD DATA SEQUENCE EGKEHRVAAG VEFAKSKGYV QTGDYCVVIH ADHKVKGYAN QTRILLVE 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.599 174.600 -0.001 0.000 1.055 1 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 1 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 2 Q N 0.605 120.387 119.800 -0.029 0.000 2.224 2 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 2 Q C 1.606 177.620 176.000 0.023 0.000 0.970 2 Q CA 1.783 57.569 55.803 -0.028 0.000 0.865 2 Q CB -0.371 28.323 28.738 -0.074 0.000 0.922 2 Q HN 0.720 nan 8.270 nan 0.000 0.445 3 L N -0.567 120.661 121.223 0.008 0.000 1.994 3 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 3 L C 2.139 179.025 176.870 0.026 0.000 1.071 3 L CA 1.405 56.250 54.840 0.009 0.000 0.745 3 L CB -0.648 41.410 42.059 -0.002 0.000 0.892 3 L HN 0.412 nan 8.230 nan 0.000 0.431 4 A N -0.920 121.924 122.820 0.040 0.000 1.877 4 A HA -0.337 3.983 4.320 -0.000 0.000 0.216 4 A C 2.023 179.637 177.584 0.050 0.000 1.186 4 A CA 1.972 54.032 52.037 0.039 0.000 0.620 4 A CB -1.041 17.985 19.000 0.043 0.000 0.822 4 A HN 0.655 nan 8.150 nan 0.000 0.443 5 H N 0.452 119.515 119.070 -0.013 0.000 2.390 5 H HA -0.140 4.416 4.556 -0.000 0.000 0.298 5 H C 1.895 177.212 175.328 -0.018 0.000 1.106 5 H CA 2.063 58.105 56.048 -0.010 0.000 1.297 5 H CB -0.089 29.666 29.762 -0.012 0.000 1.375 5 H HN 0.420 nan 8.280 nan 0.000 0.509 6 N N 0.172 118.873 118.700 0.001 0.000 2.272 6 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 6 N C 1.851 177.303 175.510 -0.097 0.000 1.014 6 N CA 1.100 54.112 53.050 -0.063 0.000 0.870 6 N CB -0.158 38.315 38.487 -0.024 0.000 0.975 6 N HN 0.450 nan 8.380 nan 0.000 0.433 7 L N 0.324 121.503 121.223 -0.073 0.000 2.217 7 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 7 L C 2.185 179.009 176.870 -0.076 0.000 1.107 7 L CA 1.219 56.025 54.840 -0.057 0.000 0.783 7 L CB -0.581 41.461 42.059 -0.029 0.000 0.919 7 L HN 0.264 nan 8.230 nan 0.000 0.442 8 T N -2.473 112.002 114.554 -0.131 0.000 3.100 8 T HA 0.138 4.488 4.350 -0.000 0.000 0.253 8 T C 0.772 175.386 174.700 -0.144 0.000 1.118 8 T CA -0.170 61.851 62.100 -0.131 0.000 1.058 8 T CB -0.313 68.462 68.868 -0.154 0.000 0.953 8 T HN 0.041 nan 8.240 nan 0.000 0.515 9 L N 1.848 122.968 121.223 -0.171 0.000 2.452 9 L HA 0.526 4.866 4.340 -0.000 0.000 0.267 9 L C 0.495 177.339 176.870 -0.044 0.000 1.188 9 L CA -0.546 54.228 54.840 -0.110 0.000 0.821 9 L CB 0.921 42.920 42.059 -0.100 0.000 1.102 9 L HN 0.151 nan 8.230 nan 0.000 0.470 10 S N 0.997 116.691 115.700 -0.009 0.000 2.541 10 S HA 0.383 4.853 4.470 -0.000 0.000 0.280 10 S C 0.712 175.325 174.600 0.021 0.000 1.112 10 S CA -0.898 57.309 58.200 0.012 0.000 0.925 10 S CB 1.426 64.656 63.200 0.050 0.000 1.067 10 S HN 0.612 nan 8.310 nan 0.000 0.479 11 I N 1.144 121.697 120.570 -0.028 0.000 2.454 11 I HA 0.056 4.226 4.170 -0.000 0.000 0.254 11 I C 0.698 176.823 176.117 0.014 0.000 1.156 11 I CA 1.594 62.858 61.300 -0.060 0.000 1.433 11 I CB -0.287 37.610 38.000 -0.171 0.000 1.082 11 I HN 0.510 nan 8.210 nan 0.000 0.432 12 F N 2.277 122.231 119.950 0.008 0.000 2.773 12 F HA 0.221 4.748 4.527 -0.000 0.000 0.304 12 F C 0.451 176.255 175.800 0.008 0.000 1.129 12 F CA -1.042 56.962 58.000 0.007 0.000 1.378 12 F CB -0.911 38.092 39.000 0.004 0.000 1.095 12 F HN 0.095 nan 8.300 nan 0.000 0.565 13 D N 2.557 123.069 120.400 0.186 0.000 2.424 13 D HA 0.091 4.731 4.640 -0.000 0.000 0.244 13 D C -1.967 174.394 176.300 0.101 0.000 1.134 13 D CA -1.115 52.953 54.000 0.113 0.000 0.881 13 D CB 0.289 41.137 40.800 0.079 0.000 1.191 13 D HN 0.072 nan 8.370 nan 0.000 0.445 14 P HA 0.045 nan 4.420 nan 0.000 0.275 14 P C -0.010 177.320 177.300 0.050 0.000 1.227 14 P CA -0.535 62.597 63.100 0.054 0.000 0.781 14 P CB 0.808 32.529 31.700 0.035 0.000 0.906 15 V N 0.633 120.572 119.914 0.041 0.000 3.385 15 V HA 0.643 4.763 4.120 -0.000 0.000 0.301 15 V C 0.450 176.556 176.094 0.020 0.000 1.082 15 V CA -0.708 61.607 62.300 0.025 0.000 1.085 15 V CB -0.180 31.650 31.823 0.011 0.000 1.152 15 V HN 0.754 nan 8.190 nan 0.000 0.465 16 A N 1.713 124.527 122.820 -0.011 0.000 2.346 16 A HA 0.305 4.625 4.320 -0.000 0.000 0.252 16 A C 1.119 178.730 177.584 0.046 0.000 1.089 16 A CA 0.034 52.068 52.037 -0.005 0.000 0.797 16 A CB -0.320 18.593 19.000 -0.145 0.000 1.047 16 A HN 1.128 nan 8.150 nan 0.000 0.494 17 N N -0.925 117.863 118.700 0.148 0.000 2.461 17 N HA 0.079 4.819 4.740 -0.000 0.000 0.188 17 N C -0.339 175.365 175.510 0.323 0.000 1.134 17 N CA 0.335 53.515 53.050 0.216 0.000 0.878 17 N CB -0.042 38.593 38.487 0.247 0.000 0.972 17 N HN 0.740 nan 8.380 nan 0.000 0.456 18 Y N -1.310 119.024 120.300 0.056 0.000 2.534 18 Y HA 0.498 5.048 4.550 -0.000 0.000 0.345 18 Y C -1.100 174.814 175.900 0.022 0.000 1.031 18 Y CA -1.626 56.498 58.100 0.040 0.000 1.022 18 Y CB 1.248 39.650 38.460 -0.097 0.000 1.292 18 Y HN -0.228 nan 8.280 nan 0.000 0.459 19 R N 2.766 123.262 120.500 -0.006 0.000 2.265 19 R HA 0.681 5.021 4.340 -0.000 0.000 0.328 19 R C 0.165 176.462 176.300 -0.005 0.000 0.969 19 R CA 0.230 56.275 56.100 -0.092 0.000 0.832 19 R CB 1.433 31.725 30.300 -0.013 0.000 1.139 19 R HN 1.071 nan 8.270 nan 0.000 0.457 20 A N 4.406 127.171 122.820 -0.092 0.000 1.873 20 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 20 A C 0.988 178.595 177.584 0.037 0.000 1.186 20 A CA 1.266 53.328 52.037 0.042 0.000 0.616 20 A CB -0.339 18.672 19.000 0.017 0.000 0.823 20 A HN 0.772 nan 8.150 nan 0.000 0.442 21 A N 0.199 123.021 122.820 0.003 0.000 2.386 21 A HA 0.531 4.851 4.320 -0.000 0.000 0.248 21 A C 0.297 177.896 177.584 0.026 0.000 1.082 21 A CA -0.367 51.675 52.037 0.009 0.000 0.789 21 A CB 0.207 19.201 19.000 -0.010 0.000 1.025 21 A HN 0.412 nan 8.150 nan 0.000 0.490 22 R N 0.737 121.256 120.500 0.031 0.000 2.589 22 R HA 0.581 4.921 4.340 -0.000 0.000 0.293 22 R C -1.153 175.172 176.300 0.042 0.000 0.963 22 R CA -0.445 55.681 56.100 0.044 0.000 0.905 22 R CB 1.345 31.676 30.300 0.053 0.000 1.144 22 R HN 0.675 nan 8.270 nan 0.000 0.459 23 I N 3.434 124.034 120.570 0.050 0.000 2.377 23 I HA 0.431 4.601 4.170 -0.000 0.000 0.293 23 I C 0.150 176.308 176.117 0.067 0.000 0.987 23 I CA -0.585 60.746 61.300 0.052 0.000 1.185 23 I CB 1.493 39.521 38.000 0.048 0.000 1.341 23 I HN 0.296 nan 8.210 nan 0.000 0.455 24 I N 5.052 125.667 120.570 0.075 0.000 2.404 24 I HA 0.439 4.609 4.170 -0.000 0.000 0.293 24 I C -0.826 175.349 176.117 0.097 0.000 0.992 24 I CA -0.473 60.890 61.300 0.105 0.000 1.149 24 I CB 1.697 39.782 38.000 0.142 0.000 1.315 24 I HN 0.515 nan 8.210 nan 0.000 0.446 25 C N 3.428 122.789 119.300 0.101 0.000 2.408 25 C HA 0.494 4.954 4.460 -0.000 0.000 0.321 25 C C 0.455 175.509 174.990 0.106 0.000 1.245 25 C CA -0.578 58.493 59.018 0.090 0.000 1.523 25 C CB 1.490 29.273 27.740 0.072 0.000 2.178 25 C HN 0.697 nan 8.230 nan 0.000 0.488 26 T N 4.580 119.198 114.554 0.106 0.000 2.817 26 T HA 0.408 4.758 4.350 -0.000 0.000 0.293 26 T C 0.037 174.804 174.700 0.112 0.000 0.964 26 T CA -0.162 62.013 62.100 0.124 0.000 1.085 26 T CB 0.287 69.229 68.868 0.123 0.000 0.921 26 T HN 0.382 nan 8.240 nan 0.000 0.502 27 I N 3.418 124.071 120.570 0.139 0.000 2.312 27 I HA 0.549 4.719 4.170 -0.000 0.000 0.290 27 I C 0.839 177.065 176.117 0.181 0.000 1.008 27 I CA -0.234 61.146 61.300 0.134 0.000 1.226 27 I CB 0.499 38.572 38.000 0.121 0.000 1.371 27 I HN 0.791 nan 8.210 nan 0.000 0.468 28 G N 6.970 115.855 108.800 0.142 0.000 3.222 28 G HA2 0.548 4.508 3.960 -0.000 0.000 0.263 28 G HA3 0.548 4.508 3.960 -0.000 0.000 0.263 28 G C -2.408 172.581 174.900 0.149 0.000 1.312 28 G CA -0.623 44.570 45.100 0.154 0.000 0.934 28 G HN 0.251 nan 8.290 nan 0.000 0.577 29 P HA -0.015 nan 4.420 nan 0.000 0.216 29 P C 2.056 179.386 177.300 0.050 0.000 1.150 29 P CA 1.551 64.707 63.100 0.093 0.000 0.837 29 P CB 0.153 31.874 31.700 0.034 0.000 0.786 30 S N -1.155 114.562 115.700 0.028 0.000 2.419 30 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 30 S C 1.452 176.063 174.600 0.019 0.000 1.016 30 S CA 1.867 60.074 58.200 0.011 0.000 0.974 30 S CB -0.923 62.274 63.200 -0.005 0.000 0.786 30 S HN 0.375 nan 8.310 nan 0.000 0.492 31 T N -1.629 112.946 114.554 0.035 0.000 3.091 31 T HA 0.300 4.650 4.350 -0.000 0.000 0.277 31 T C 1.107 175.823 174.700 0.026 0.000 0.996 31 T CA -0.358 61.761 62.100 0.032 0.000 0.897 31 T CB 0.230 69.122 68.868 0.040 0.000 1.109 31 T HN 0.178 nan 8.240 nan 0.000 0.534 32 Q N 2.240 122.052 119.800 0.020 0.000 2.167 32 Q HA -0.001 4.339 4.340 -0.000 0.000 0.202 32 Q C 1.175 177.156 176.000 -0.031 0.000 0.970 32 Q CA 0.794 56.584 55.803 -0.022 0.000 0.855 32 Q CB 0.022 28.718 28.738 -0.071 0.000 0.911 32 Q HN 0.669 nan 8.270 nan 0.000 0.438 33 S N -1.079 114.612 115.700 -0.015 0.000 2.572 33 S HA 0.037 4.507 4.470 -0.000 0.000 0.279 33 S C 1.240 175.836 174.600 -0.008 0.000 1.341 33 S CA -0.510 57.682 58.200 -0.014 0.000 1.043 33 S CB 1.484 64.680 63.200 -0.006 0.000 0.887 33 S HN 0.113 nan 8.310 nan 0.000 0.516 34 V N 2.258 122.167 119.914 -0.009 0.000 2.392 34 V HA -0.118 4.002 4.120 -0.000 0.000 0.249 34 V C 2.787 178.883 176.094 0.002 0.000 1.059 34 V CA 2.378 64.675 62.300 -0.004 0.000 1.051 34 V CB -1.160 30.659 31.823 -0.006 0.000 0.658 34 V HN 0.958 nan 8.190 nan 0.000 0.455 35 E N 0.317 120.518 120.200 0.002 0.000 2.077 35 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 35 E C 2.218 178.824 176.600 0.010 0.000 0.989 35 E CA 1.508 57.912 56.400 0.006 0.000 0.800 35 E CB -0.530 29.174 29.700 0.005 0.000 0.746 35 E HN 0.547 nan 8.360 nan 0.000 0.452 36 A N 0.181 123.006 122.820 0.010 0.000 1.902 36 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 36 A C 2.263 179.858 177.584 0.019 0.000 1.181 36 A CA 1.245 53.291 52.037 0.015 0.000 0.623 36 A CB -0.682 18.326 19.000 0.013 0.000 0.818 36 A HN 0.295 nan 8.150 nan 0.000 0.443 37 L N -1.182 120.051 121.223 0.017 0.000 2.083 37 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 37 L C 2.593 179.476 176.870 0.022 0.000 1.083 37 L CA 1.709 56.561 54.840 0.020 0.000 0.752 37 L CB -0.354 41.714 42.059 0.015 0.000 0.899 37 L HN 0.323 nan 8.230 nan 0.000 0.433 38 K N -0.025 120.386 120.400 0.018 0.000 2.097 38 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 38 K C 2.054 178.669 176.600 0.024 0.000 1.049 38 K CA 1.277 57.575 56.287 0.020 0.000 0.933 38 K CB -0.424 32.086 32.500 0.015 0.000 0.717 38 K HN 0.348 nan 8.250 nan 0.000 0.442 39 G N 0.501 109.316 108.800 0.025 0.000 2.418 39 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 39 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 39 G C 1.298 176.219 174.900 0.034 0.000 1.158 39 G CA 0.511 45.629 45.100 0.029 0.000 0.771 39 G HN 0.092 nan 8.290 nan 0.000 0.545 40 L N 0.469 121.714 121.223 0.035 0.000 2.046 40 L HA 0.108 4.448 4.340 -0.000 0.000 0.208 40 L C 2.789 179.684 176.870 0.041 0.000 1.077 40 L CA 1.083 55.947 54.840 0.041 0.000 0.747 40 L CB -0.519 41.564 42.059 0.041 0.000 0.896 40 L HN 0.205 nan 8.230 nan 0.000 0.432 41 I N -1.253 119.340 120.570 0.038 0.000 2.226 41 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 41 I C 2.451 178.593 176.117 0.041 0.000 1.100 41 I CA 1.140 62.464 61.300 0.040 0.000 1.374 41 I CB -0.202 37.819 38.000 0.035 0.000 1.057 41 I HN 0.368 nan 8.210 nan 0.000 0.413 42 Q N -0.238 119.583 119.800 0.036 0.000 2.167 42 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 42 Q C 2.304 178.325 176.000 0.035 0.000 0.970 42 Q CA 1.498 57.322 55.803 0.035 0.000 0.855 42 Q CB -0.084 28.672 28.738 0.029 0.000 0.911 42 Q HN 0.406 nan 8.270 nan 0.000 0.438 43 S N -1.060 114.663 115.700 0.037 0.000 2.453 43 S HA 0.032 4.502 4.470 -0.000 0.000 0.231 43 S C 1.167 175.791 174.600 0.040 0.000 1.005 43 S CA 0.909 59.132 58.200 0.038 0.000 0.949 43 S CB 0.398 63.624 63.200 0.044 0.000 0.774 43 S HN 0.656 nan 8.310 nan 0.000 0.510 44 G N 1.074 109.900 108.800 0.044 0.000 2.200 44 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.145 44 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.145 44 G C -0.046 174.885 174.900 0.052 0.000 1.021 44 G CA -0.201 44.928 45.100 0.048 0.000 0.720 44 G HN 0.408 nan 8.290 nan 0.000 0.494 45 M N 1.348 120.979 119.600 0.052 0.000 2.188 45 M HA 0.599 5.079 4.480 -0.000 0.000 0.354 45 M C 0.940 177.274 176.300 0.056 0.000 1.342 45 M CA 0.425 55.758 55.300 0.055 0.000 1.117 45 M CB 0.999 33.631 32.600 0.053 0.000 1.670 45 M HN -0.031 nan 8.290 nan 0.000 0.466 46 S N 3.313 119.049 115.700 0.061 0.000 2.506 46 S HA 0.232 4.702 4.470 -0.000 0.000 0.219 46 S C -0.048 174.587 174.600 0.059 0.000 1.031 46 S CA -0.316 57.920 58.200 0.060 0.000 0.911 46 S CB 0.496 63.734 63.200 0.064 0.000 0.812 46 S HN 0.642 nan 8.310 nan 0.000 0.497 47 V N 1.626 121.582 119.914 0.070 0.000 2.638 47 V HA 0.779 4.899 4.120 -0.000 0.000 0.306 47 V C -0.667 175.471 176.094 0.074 0.000 1.052 47 V CA -1.129 61.215 62.300 0.073 0.000 0.885 47 V CB 1.457 33.350 31.823 0.116 0.000 0.999 47 V HN 0.259 nan 8.190 nan 0.000 0.424 48 A N 4.588 127.438 122.820 0.050 0.000 2.276 48 A HA 0.802 5.122 4.320 -0.000 0.000 0.316 48 A C -0.138 177.473 177.584 0.045 0.000 1.229 48 A CA -0.618 51.453 52.037 0.057 0.000 0.851 48 A CB 0.708 19.736 19.000 0.048 0.000 1.165 48 A HN 0.867 nan 8.150 nan 0.000 0.513 49 R N 3.295 123.847 120.500 0.087 0.000 2.338 49 R HA 0.634 4.974 4.340 -0.000 0.000 0.317 49 R C -1.059 175.316 176.300 0.125 0.000 0.968 49 R CA -0.383 55.769 56.100 0.086 0.000 0.849 49 R CB 0.749 31.175 30.300 0.211 0.000 1.128 49 R HN 0.783 nan 8.270 nan 0.000 0.448 50 M N 3.545 123.208 119.600 0.105 0.000 2.205 50 M HA 0.254 4.734 4.480 -0.000 0.000 0.344 50 M C -0.410 175.989 176.300 0.165 0.000 1.085 50 M CA -0.855 54.543 55.300 0.163 0.000 1.001 50 M CB 1.671 34.356 32.600 0.142 0.000 1.626 50 M HN 0.410 nan 8.290 nan 0.000 0.442 51 N N 2.145 120.989 118.700 0.239 0.000 2.426 51 N HA 0.259 4.999 4.740 -0.000 0.000 0.257 51 N C -0.575 175.086 175.510 0.251 0.000 1.002 51 N CA -0.248 52.965 53.050 0.271 0.000 0.942 51 N CB 0.569 39.254 38.487 0.330 0.000 1.112 51 N HN 0.508 nan 8.380 nan 0.000 0.499 52 F N 1.209 121.136 119.950 -0.039 0.000 2.811 52 F HA 0.129 4.656 4.527 0.000 0.000 0.301 52 F C 2.068 177.879 175.800 0.018 0.000 1.151 52 F CA 0.161 58.155 58.000 -0.010 0.000 1.412 52 F CB 0.078 39.041 39.000 -0.063 0.000 1.113 52 F HN 0.459 nan 8.300 nan 0.000 0.579 53 S N -1.659 114.066 115.700 0.041 0.000 2.481 53 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 53 S C 0.145 174.477 174.600 -0.447 0.000 0.996 53 S CA 0.684 58.737 58.200 -0.246 0.000 0.942 53 S CB -0.403 62.548 63.200 -0.415 0.000 0.768 53 S HN 0.392 nan 8.310 nan 0.000 0.520 54 H N -1.141 117.972 119.070 0.073 0.000 2.747 54 H HA 0.608 5.164 4.556 -0.000 0.000 0.371 54 H C 0.667 175.946 175.328 -0.082 0.000 1.161 54 H CA -0.084 55.950 56.048 -0.023 0.000 1.167 54 H CB 1.371 31.111 29.762 -0.035 0.000 1.732 54 H HN 0.218 nan 8.280 nan 0.000 0.544 55 G N 0.626 109.322 108.800 -0.173 0.000 2.642 55 G HA2 0.055 4.015 3.960 -0.000 0.000 0.231 55 G HA3 0.055 4.015 3.960 -0.000 0.000 0.231 55 G C -0.491 174.259 174.900 -0.250 0.000 1.338 55 G CA -0.217 44.621 45.100 -0.437 0.000 0.883 55 G HN 1.277 nan 8.290 nan 0.000 0.570 56 S N -3.297 112.247 115.700 -0.260 0.000 2.672 56 S HA 0.647 5.117 4.470 -0.000 0.000 0.271 56 S C 0.524 175.081 174.600 -0.072 0.000 1.171 56 S CA 0.322 58.446 58.200 -0.127 0.000 0.817 56 S CB 1.247 64.385 63.200 -0.104 0.000 1.150 56 S HN 0.931 nan 8.310 nan 0.000 0.478 57 H N 0.172 119.086 119.070 -0.261 0.000 2.387 57 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 57 H C 1.984 177.214 175.328 -0.164 0.000 1.090 57 H CA 1.621 57.398 56.048 -0.452 0.000 1.332 57 H CB 0.148 29.553 29.762 -0.596 0.000 1.386 57 H HN 0.769 nan 8.280 nan 0.000 0.516 58 E N 0.581 120.816 120.200 0.058 0.000 2.051 58 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 58 E C 1.938 178.565 176.600 0.044 0.000 0.991 58 E CA 0.936 57.377 56.400 0.069 0.000 0.799 58 E CB -0.079 29.648 29.700 0.045 0.000 0.748 58 E HN 0.455 nan 8.360 nan 0.000 0.449 59 Y N 0.755 120.968 120.300 -0.145 0.000 2.145 59 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 59 Y C 2.287 178.067 175.900 -0.199 0.000 1.145 59 Y CA 2.068 60.038 58.100 -0.218 0.000 1.148 59 Y CB -0.189 38.047 38.460 -0.373 0.000 0.981 59 Y HN 0.199 nan 8.280 nan 0.000 0.507 60 H N -0.698 118.390 119.070 0.030 0.000 2.423 60 H HA -0.139 4.417 4.556 0.000 0.000 0.297 60 H C 2.061 177.444 175.328 0.093 0.000 1.075 60 H CA 1.585 57.640 56.048 0.012 0.000 1.342 60 H CB -0.280 29.419 29.762 -0.106 0.000 1.395 60 H HN 0.401 nan 8.280 nan 0.000 0.530 61 Q N 0.718 120.667 119.800 0.248 0.000 2.084 61 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 61 Q C 2.074 178.116 176.000 0.069 0.000 0.978 61 Q CA 1.965 57.909 55.803 0.236 0.000 0.844 61 Q CB -0.224 28.676 28.738 0.269 0.000 0.898 61 Q HN 0.299 nan 8.270 nan 0.000 0.426 62 T N -0.420 114.112 114.554 -0.036 0.000 2.746 62 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 62 T C 1.716 176.354 174.700 -0.104 0.000 1.039 62 T CA 1.700 63.737 62.100 -0.104 0.000 1.142 62 T CB -0.576 68.161 68.868 -0.218 0.000 0.866 62 T HN 0.373 nan 8.240 nan 0.000 0.444 63 T N 1.938 116.419 114.554 -0.122 0.000 2.746 63 T HA 0.039 4.389 4.350 -0.000 0.000 0.267 63 T C 1.968 176.674 174.700 0.010 0.000 1.039 63 T CA 0.853 62.920 62.100 -0.055 0.000 1.142 63 T CB -0.391 68.485 68.868 0.012 0.000 0.866 63 T HN 0.321 nan 8.240 nan 0.000 0.444 64 I N 1.513 122.111 120.570 0.047 0.000 2.179 64 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 64 I C 2.340 178.460 176.117 0.006 0.000 1.088 64 I CA 0.985 62.307 61.300 0.037 0.000 1.357 64 I CB -0.324 37.707 38.000 0.051 0.000 1.051 64 I HN 0.174 nan 8.210 nan 0.000 0.409 65 N N 1.038 119.739 118.700 0.002 0.000 2.142 65 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 65 N C 1.552 177.054 175.510 -0.014 0.000 1.023 65 N CA 1.257 54.301 53.050 -0.009 0.000 0.852 65 N CB -0.691 37.791 38.487 -0.009 0.000 0.998 65 N HN 0.316 nan 8.380 nan 0.000 0.424 66 N N 0.417 119.105 118.700 -0.020 0.000 2.166 66 N HA -0.066 4.674 4.740 -0.000 0.000 0.186 66 N C 1.785 177.290 175.510 -0.009 0.000 1.019 66 N CA 0.432 53.470 53.050 -0.019 0.000 0.856 66 N CB -0.498 37.969 38.487 -0.032 0.000 0.993 66 N HN 0.041 nan 8.380 nan 0.000 0.426 67 V N 0.989 120.901 119.914 -0.004 0.000 2.307 67 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 67 V C 2.273 178.364 176.094 -0.004 0.000 1.045 67 V CA 1.501 63.802 62.300 0.002 0.000 1.024 67 V CB -0.352 31.477 31.823 0.009 0.000 0.651 67 V HN 0.220 nan 8.190 nan 0.000 0.449 68 R N -0.441 120.052 120.500 -0.010 0.000 2.081 68 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 68 R C 2.464 178.756 176.300 -0.014 0.000 1.131 68 R CA 1.742 57.831 56.100 -0.017 0.000 0.960 68 R CB -0.349 29.936 30.300 -0.024 0.000 0.856 68 R HN 0.574 nan 8.270 nan 0.000 0.436 69 Q N 0.074 119.867 119.800 -0.012 0.000 2.084 69 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 69 Q C 2.000 177.998 176.000 -0.005 0.000 0.978 69 Q CA 1.644 57.442 55.803 -0.009 0.000 0.844 69 Q CB -0.047 28.686 28.738 -0.010 0.000 0.898 69 Q HN 0.390 nan 8.270 nan 0.000 0.426 70 A N 0.689 123.507 122.820 -0.002 0.000 1.902 70 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 70 A C 2.255 179.842 177.584 0.006 0.000 1.181 70 A CA 1.621 53.660 52.037 0.003 0.000 0.623 70 A CB -0.875 18.129 19.000 0.006 0.000 0.818 70 A HN 0.537 nan 8.150 nan 0.000 0.443 71 A N -0.132 122.691 122.820 0.004 0.000 1.902 71 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 71 A C 2.496 180.082 177.584 0.003 0.000 1.181 71 A CA 2.035 54.075 52.037 0.005 0.000 0.623 71 A CB -0.986 18.014 19.000 -0.000 0.000 0.818 71 A HN 1.037 nan 8.150 nan 0.000 0.443 72 A N -0.333 122.485 122.820 -0.004 0.000 1.902 72 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 72 A C 1.904 179.489 177.584 0.002 0.000 1.181 72 A CA 1.701 53.735 52.037 -0.005 0.000 0.623 72 A CB -0.521 18.472 19.000 -0.011 0.000 0.818 72 A HN 0.616 nan 8.150 nan 0.000 0.443 73 E N -0.744 119.458 120.200 0.003 0.000 2.204 73 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 73 E C 1.248 177.855 176.600 0.011 0.000 0.990 73 E CA 0.718 57.122 56.400 0.006 0.000 0.821 73 E CB -0.089 29.614 29.700 0.005 0.000 0.750 73 E HN 0.599 nan 8.360 nan 0.000 0.477 74 L N -0.834 120.398 121.223 0.014 0.000 2.693 74 L HA 0.237 4.577 4.340 -0.000 0.000 0.235 74 L C 0.869 177.755 176.870 0.027 0.000 1.127 74 L CA -0.006 54.846 54.840 0.021 0.000 0.914 74 L CB 0.573 42.646 42.059 0.023 0.000 1.193 74 L HN 0.169 nan 8.230 nan 0.000 0.502 75 G N 1.692 110.507 108.800 0.024 0.000 2.338 75 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.296 75 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.296 75 G C -0.047 174.878 174.900 0.041 0.000 1.040 75 G CA 0.507 45.626 45.100 0.031 0.000 1.004 75 G HN 0.285 nan 8.290 nan 0.000 0.509 76 V N -3.841 116.092 119.914 0.031 0.000 3.130 76 V HA 0.788 4.908 4.120 -0.000 0.000 0.310 76 V C -0.337 175.767 176.094 0.017 0.000 1.158 76 V CA -1.959 60.364 62.300 0.038 0.000 1.029 76 V CB 2.249 34.100 31.823 0.046 0.000 1.057 76 V HN 0.160 nan 8.190 nan 0.000 0.436 77 N N 2.150 120.860 118.700 0.016 0.000 2.424 77 N HA 0.596 5.336 4.740 -0.000 0.000 0.271 77 N C -1.379 174.135 175.510 0.007 0.000 0.985 77 N CA -0.326 52.721 53.050 -0.005 0.000 0.921 77 N CB 1.993 40.469 38.487 -0.019 0.000 1.149 77 N HN 0.574 nan 8.380 nan 0.000 0.492 78 I N 1.580 122.150 120.570 0.001 0.000 2.406 78 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 78 I C 0.574 176.691 176.117 -0.000 0.000 0.999 78 I CA -1.070 60.236 61.300 0.010 0.000 1.124 78 I CB 1.087 39.096 38.000 0.014 0.000 1.289 78 I HN 0.378 nan 8.210 nan 0.000 0.441 79 A N 7.588 130.411 122.820 0.006 0.000 2.445 79 A HA 0.551 4.871 4.320 -0.000 0.000 0.242 79 A C -0.086 177.486 177.584 -0.019 0.000 1.075 79 A CA 0.008 52.041 52.037 -0.007 0.000 0.777 79 A CB 0.204 19.209 19.000 0.007 0.000 1.013 79 A HN 0.648 nan 8.150 nan 0.000 0.493 80 I N 1.433 121.975 120.570 -0.047 0.000 2.406 80 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 80 I C 0.399 176.434 176.117 -0.137 0.000 0.999 80 I CA -0.130 61.132 61.300 -0.063 0.000 1.124 80 I CB 1.843 39.815 38.000 -0.046 0.000 1.289 80 I HN 0.704 nan 8.210 nan 0.000 0.441 81 A N 7.360 130.056 122.820 -0.207 0.000 2.342 81 A HA 0.709 5.029 4.320 -0.000 0.000 0.323 81 A C -1.080 176.279 177.584 -0.375 0.000 1.125 81 A CA -0.525 51.240 52.037 -0.453 0.000 0.785 81 A CB 1.319 19.772 19.000 -0.912 0.000 1.221 81 A HN 0.752 nan 8.150 nan 0.000 0.463 82 L N 2.472 123.467 121.223 -0.381 0.000 2.280 82 L HA 0.406 4.746 4.340 -0.000 0.000 0.287 82 L C -0.928 175.781 176.870 -0.268 0.000 1.023 82 L CA -0.524 54.131 54.840 -0.309 0.000 0.819 82 L CB 0.964 42.790 42.059 -0.388 0.000 1.212 82 L HN 0.685 nan 8.230 nan 0.000 0.420 83 D N 4.287 124.625 120.400 -0.103 0.000 2.456 83 D HA 0.125 4.765 4.640 -0.000 0.000 0.219 83 D C 0.010 176.363 176.300 0.089 0.000 1.126 83 D CA -0.152 53.896 54.000 0.080 0.000 0.890 83 D CB 1.088 42.017 40.800 0.215 0.000 1.025 83 D HN 0.615 nan 8.370 nan 0.000 0.511 84 T N 0.595 115.168 114.554 0.032 0.000 2.900 84 T HA 0.044 4.394 4.350 -0.000 0.000 0.307 84 T C 1.322 176.080 174.700 0.098 0.000 1.065 84 T CA -0.377 61.747 62.100 0.040 0.000 1.105 84 T CB 1.950 70.822 68.868 0.005 0.000 0.979 84 T HN 0.356 nan 8.240 nan 0.000 0.544 85 K N 1.932 122.398 120.400 0.111 0.000 2.025 85 K HA 0.158 4.478 4.320 -0.000 0.000 0.207 85 K C 1.182 177.795 176.600 0.022 0.000 1.049 85 K CA 1.095 57.411 56.287 0.049 0.000 0.933 85 K CB -1.005 31.520 32.500 0.042 0.000 0.714 85 K HN 1.190 nan 8.250 nan 0.000 0.438 86 G N 0.864 109.689 108.800 0.041 0.000 2.829 86 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.628 86 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.628 86 G C -2.705 172.202 174.900 0.012 0.000 1.412 86 G CA -0.465 44.661 45.100 0.044 0.000 0.864 86 G HN 0.218 nan 8.290 nan 0.000 0.544 87 P HA 0.316 nan 4.420 nan 0.000 0.271 87 P C -0.286 176.947 177.300 -0.111 0.000 1.216 87 P CA 0.519 63.620 63.100 0.001 0.000 0.771 87 P CB 0.856 32.601 31.700 0.075 0.000 0.864 88 E N 1.929 122.068 120.200 -0.101 0.000 2.288 88 E HA 0.508 4.858 4.350 -0.000 0.000 0.268 88 E C -0.443 176.092 176.600 -0.109 0.000 0.885 88 E CA -0.881 55.434 56.400 -0.141 0.000 0.767 88 E CB 1.932 31.578 29.700 -0.090 0.000 1.220 88 E HN 0.375 nan 8.360 nan 0.000 0.427 89 I N 2.614 123.107 120.570 -0.129 0.000 2.336 89 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 89 I C 0.076 176.182 176.117 -0.017 0.000 0.991 89 I CA -0.464 60.793 61.300 -0.071 0.000 1.227 89 I CB 0.791 38.736 38.000 -0.092 0.000 1.366 89 I HN 0.225 nan 8.210 nan 0.000 0.466 90 R N 3.138 123.645 120.500 0.012 0.000 2.795 90 R HA 0.470 4.810 4.340 -0.000 0.000 0.275 90 R C -0.313 176.023 176.300 0.061 0.000 0.981 90 R CA -0.752 55.375 56.100 0.046 0.000 0.917 90 R CB 2.544 32.872 30.300 0.047 0.000 1.202 90 R HN 0.725 nan 8.270 nan 0.000 0.469 91 T N -1.126 113.500 114.554 0.120 0.000 2.766 91 T HA 0.291 4.641 4.350 -0.000 0.000 0.295 91 T C 0.920 175.691 174.700 0.119 0.000 1.024 91 T CA -0.326 61.875 62.100 0.168 0.000 1.018 91 T CB 1.034 70.061 68.868 0.265 0.000 1.002 91 T HN 0.614 nan 8.240 nan 0.000 0.532 92 G N -0.012 108.880 108.800 0.154 0.000 2.504 92 G HA2 0.440 4.400 3.960 -0.000 0.000 0.257 92 G HA3 0.440 4.400 3.960 -0.000 0.000 0.257 92 G C -0.382 174.364 174.900 -0.257 0.000 1.451 92 G CA -0.888 44.276 45.100 0.106 0.000 1.059 92 G HN 0.875 nan 8.290 nan 0.000 0.550 93 Q N -0.806 118.847 119.800 -0.245 0.000 2.260 93 Q HA 0.426 4.766 4.340 -0.000 0.000 0.242 93 Q C -1.345 174.347 176.000 -0.513 0.000 0.932 93 Q CA 0.015 55.647 55.803 -0.285 0.000 0.891 93 Q CB 1.598 30.277 28.738 -0.098 0.000 1.222 93 Q HN 0.340 nan 8.270 nan 0.000 0.453 94 F N -0.302 119.668 119.950 0.033 0.000 2.458 94 F HA 0.301 4.828 4.527 -0.000 0.000 0.330 94 F C 0.214 176.028 175.800 0.024 0.000 1.082 94 F CA -1.195 56.821 58.000 0.026 0.000 0.995 94 F CB 0.959 39.935 39.000 -0.039 0.000 1.170 94 F HN 0.173 nan 8.300 nan 0.000 0.478 95 V N 2.050 122.095 119.914 0.218 0.000 2.673 95 V HA 0.299 4.419 4.120 -0.000 0.000 0.303 95 V C 0.968 177.127 176.094 0.107 0.000 1.046 95 V CA 1.049 63.425 62.300 0.126 0.000 1.126 95 V CB 0.368 32.256 31.823 0.109 0.000 0.934 95 V HN 1.072 nan 8.190 nan 0.000 0.487 96 G N 3.582 112.423 108.800 0.068 0.000 2.155 96 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.257 96 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.257 96 G C 1.193 176.122 174.900 0.050 0.000 0.983 96 G CA 0.692 45.820 45.100 0.047 0.000 0.676 96 G HN 2.264 nan 8.290 nan 0.000 0.528 97 G N -1.117 107.729 108.800 0.077 0.000 2.284 97 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.261 97 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.261 97 G C 0.152 175.119 174.900 0.112 0.000 0.997 97 G CA 1.352 46.501 45.100 0.081 0.000 0.621 97 G HN 1.740 nan 8.290 nan 0.000 0.534 98 D N -0.720 119.731 120.400 0.084 0.000 2.579 98 D HA 0.808 5.448 4.640 -0.000 0.000 0.257 98 D C -0.564 175.644 176.300 -0.154 0.000 1.176 98 D CA 0.546 54.528 54.000 -0.030 0.000 0.914 98 D CB 1.508 42.271 40.800 -0.062 0.000 1.431 98 D HN 1.172 nan 8.370 nan 0.000 0.454 99 A N 1.006 123.573 122.820 -0.422 0.000 2.480 99 A HA 0.507 4.827 4.320 -0.000 0.000 0.289 99 A C -1.556 175.772 177.584 -0.426 0.000 1.044 99 A CA -0.625 51.117 52.037 -0.492 0.000 0.761 99 A CB 1.323 19.781 19.000 -0.903 0.000 1.289 99 A HN 0.330 nan 8.150 nan 0.000 0.401 100 V N 4.623 124.388 119.914 -0.249 0.000 2.322 100 V HA 0.233 4.353 4.120 -0.000 0.000 0.258 100 V C -0.040 175.969 176.094 -0.141 0.000 1.074 100 V CA -0.135 62.056 62.300 -0.182 0.000 0.909 100 V CB 0.477 32.233 31.823 -0.112 0.000 1.090 100 V HN 0.819 nan 8.190 nan 0.000 0.486 101 M N 4.726 124.234 119.600 -0.152 0.000 2.108 101 M HA 0.393 4.873 4.480 -0.000 0.000 0.347 101 M C 0.277 176.558 176.300 -0.032 0.000 1.326 101 M CA 0.222 55.473 55.300 -0.082 0.000 1.126 101 M CB 0.378 32.932 32.600 -0.076 0.000 1.606 101 M HN 0.579 nan 8.290 nan 0.000 0.462 102 E N 2.228 122.420 120.200 -0.015 0.000 2.248 102 E HA 0.391 4.741 4.350 -0.000 0.000 0.272 102 E C -0.188 176.417 176.600 0.007 0.000 1.008 102 E CA -0.895 55.503 56.400 -0.004 0.000 0.856 102 E CB 2.019 31.716 29.700 -0.004 0.000 1.120 102 E HN 0.458 nan 8.360 nan 0.000 0.397 103 R N 0.533 121.038 120.500 0.008 0.000 2.537 103 R HA 0.124 4.464 4.340 -0.000 0.000 0.280 103 R C 0.762 177.068 176.300 0.010 0.000 1.058 103 R CA 1.330 57.436 56.100 0.011 0.000 1.057 103 R CB 0.047 30.352 30.300 0.007 0.000 0.973 103 R HN 0.856 nan 8.270 nan 0.000 0.438 104 G N 2.177 110.984 108.800 0.012 0.000 2.268 104 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.240 104 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.240 104 G C 0.180 175.082 174.900 0.004 0.000 1.010 104 G CA 0.119 45.224 45.100 0.008 0.000 0.618 104 G HN 0.972 nan 8.290 nan 0.000 0.516 105 A N 0.387 123.210 122.820 0.005 0.000 2.466 105 A HA 0.583 4.904 4.320 -0.000 0.000 0.238 105 A C 0.697 178.272 177.584 -0.015 0.000 1.074 105 A CA 1.499 53.538 52.037 0.004 0.000 0.774 105 A CB 0.223 19.231 19.000 0.012 0.000 1.015 105 A HN 0.848 nan 8.150 nan 0.000 0.498 106 T N 1.198 115.735 114.554 -0.027 0.000 2.799 106 T HA 0.506 4.856 4.350 -0.000 0.000 0.286 106 T C 0.069 174.701 174.700 -0.114 0.000 0.973 106 T CA 0.118 62.157 62.100 -0.102 0.000 1.035 106 T CB 0.167 68.970 68.868 -0.108 0.000 0.932 106 T HN 1.183 nan 8.240 nan 0.000 0.469 107 C N 2.545 121.715 119.300 -0.218 0.000 3.154 107 C HA 0.859 5.319 4.460 -0.000 0.000 0.312 107 C C -1.748 172.969 174.990 -0.455 0.000 1.349 107 C CA -1.227 57.704 59.018 -0.146 0.000 1.518 107 C CB 0.322 28.123 27.740 0.102 0.000 1.934 107 C HN 0.804 nan 8.230 nan 0.000 0.462 108 Y N 0.876 121.149 120.300 -0.045 0.000 2.361 108 Y HA 0.592 5.142 4.550 -0.000 0.000 0.337 108 Y C 0.298 176.007 175.900 -0.319 0.000 0.965 108 Y CA -0.689 57.322 58.100 -0.148 0.000 1.091 108 Y CB 2.064 40.442 38.460 -0.136 0.000 1.182 108 Y HN 0.827 nan 8.280 nan 0.000 0.450 109 V N 0.498 120.249 119.914 -0.272 0.000 2.417 109 V HA 0.837 4.957 4.120 -0.000 0.000 0.291 109 V C -0.485 175.451 176.094 -0.263 0.000 1.024 109 V CA -0.274 61.734 62.300 -0.488 0.000 0.861 109 V CB 1.433 32.942 31.823 -0.524 0.000 0.985 109 V HN 0.772 nan 8.190 nan 0.000 0.436 110 T N 2.569 116.978 114.554 -0.242 0.000 2.907 110 T HA 0.570 4.920 4.350 -0.000 0.000 0.292 110 T C 0.788 175.469 174.700 -0.031 0.000 1.043 110 T CA 0.320 62.349 62.100 -0.118 0.000 1.003 110 T CB 1.869 70.636 68.868 -0.168 0.000 1.084 110 T HN 1.162 nan 8.240 nan 0.000 0.483 111 T N 0.023 114.580 114.554 0.005 0.000 3.105 111 T HA 0.211 4.561 4.350 -0.000 0.000 0.253 111 T C 0.367 175.244 174.700 0.295 0.000 1.047 111 T CA -0.370 61.770 62.100 0.066 0.000 0.944 111 T CB -0.151 68.697 68.868 -0.034 0.000 1.016 111 T HN 0.525 nan 8.240 nan 0.000 0.544 112 D N 3.708 124.264 120.400 0.259 0.000 2.412 112 D HA 0.094 4.734 4.640 -0.000 0.000 0.257 112 D C -1.027 175.449 176.300 0.294 0.000 1.217 112 D CA -2.168 51.989 54.000 0.261 0.000 0.897 112 D CB 1.521 42.469 40.800 0.248 0.000 1.132 112 D HN 0.105 nan 8.370 nan 0.000 0.493 113 P HA -0.082 nan 4.420 nan 0.000 0.223 113 P C 1.089 178.265 177.300 -0.206 0.000 1.151 113 P CA 0.581 63.595 63.100 -0.143 0.000 0.787 113 P CB 0.078 31.757 31.700 -0.036 0.000 0.788 114 A N -0.345 122.437 122.820 -0.063 0.000 2.054 114 A HA -0.187 4.133 4.320 -0.000 0.000 0.223 114 A C 1.639 179.007 177.584 -0.360 0.000 1.169 114 A CA 1.472 53.400 52.037 -0.181 0.000 0.655 114 A CB -1.821 17.086 19.000 -0.156 0.000 0.812 114 A HN 0.193 nan 8.150 nan 0.000 0.462 115 F N -1.149 118.707 119.950 -0.156 0.000 2.693 115 F HA 0.343 4.870 4.527 -0.000 0.000 0.303 115 F C 2.194 177.883 175.800 -0.186 0.000 1.097 115 F CA 0.232 58.173 58.000 -0.099 0.000 1.330 115 F CB 0.071 39.092 39.000 0.036 0.000 1.067 115 F HN 0.230 nan 8.300 nan 0.000 0.565 116 A N 0.265 122.877 122.820 -0.346 0.000 2.015 116 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 116 A C 1.476 178.968 177.584 -0.153 0.000 1.163 116 A CA 1.935 53.724 52.037 -0.413 0.000 0.646 116 A CB -0.498 18.135 19.000 -0.613 0.000 0.806 116 A HN 0.391 nan 8.150 nan 0.000 0.448 117 D N -1.464 118.855 120.400 -0.135 0.000 2.538 117 D HA 0.077 4.717 4.640 -0.000 0.000 0.231 117 D C 0.380 176.647 176.300 -0.054 0.000 1.229 117 D CA 0.045 53.992 54.000 -0.088 0.000 0.828 117 D CB -0.248 40.499 40.800 -0.088 0.000 1.035 117 D HN 0.541 nan 8.370 nan 0.000 0.495 118 K N -0.386 120.003 120.400 -0.020 0.000 3.147 118 K HA 0.382 4.702 4.320 -0.000 0.000 0.190 118 K C 0.436 177.161 176.600 0.209 0.000 1.094 118 K CA -0.741 55.573 56.287 0.045 0.000 1.024 118 K CB 0.403 32.872 32.500 -0.052 0.000 0.700 118 K HN -0.008 nan 8.250 nan 0.000 0.424 119 G N 1.115 110.037 108.800 0.204 0.000 2.667 119 G HA2 0.402 4.362 3.960 -0.000 0.000 0.250 119 G HA3 0.402 4.362 3.960 -0.000 0.000 0.250 119 G C -0.149 175.023 174.900 0.453 0.000 1.212 119 G CA 0.353 45.677 45.100 0.374 0.000 0.874 119 G HN 0.420 nan 8.290 nan 0.000 0.561 120 T N -3.226 111.651 114.554 0.539 0.000 2.762 120 T HA 0.390 4.740 4.350 -0.000 0.000 0.301 120 T C 1.082 175.984 174.700 0.337 0.000 1.299 120 T CA -0.160 62.165 62.100 0.375 0.000 1.005 120 T CB 1.580 70.597 68.868 0.248 0.000 1.377 120 T HN 0.637 nan 8.240 nan 0.000 0.504 121 K N 0.226 120.708 120.400 0.136 0.000 2.211 121 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 121 K C 0.925 177.660 176.600 0.224 0.000 1.047 121 K CA 1.943 58.282 56.287 0.087 0.000 0.935 121 K CB -0.383 32.115 32.500 -0.004 0.000 0.728 121 K HN 0.488 nan 8.250 nan 0.000 0.452 122 D N 0.930 121.473 120.400 0.238 0.000 2.123 122 D HA -0.057 4.583 4.640 -0.000 0.000 0.200 122 D C 0.280 176.773 176.300 0.322 0.000 0.976 122 D CA 1.183 55.334 54.000 0.252 0.000 0.831 122 D CB 0.205 41.126 40.800 0.203 0.000 0.974 122 D HN 0.282 nan 8.370 nan 0.000 0.469 123 K N -0.309 120.297 120.400 0.343 0.000 2.571 123 K HA 0.318 4.638 4.320 -0.000 0.000 0.252 123 K C -1.750 175.071 176.600 0.368 0.000 0.956 123 K CA -0.571 55.862 56.287 0.243 0.000 0.822 123 K CB 1.178 33.690 32.500 0.019 0.000 1.286 123 K HN -0.064 nan 8.250 nan 0.000 0.439 124 F N 0.926 120.977 119.950 0.169 0.000 2.715 124 F HA 0.542 5.069 4.527 0.000 0.000 0.318 124 F C -1.778 174.135 175.800 0.187 0.000 1.141 124 F CA -1.316 56.811 58.000 0.212 0.000 0.950 124 F CB 0.607 39.804 39.000 0.330 0.000 1.374 124 F HN 0.383 nan 8.300 nan 0.000 0.477 125 Y N 2.142 122.560 120.300 0.195 0.000 2.323 125 Y HA 0.741 5.291 4.550 -0.000 0.000 0.331 125 Y C -1.047 174.932 175.900 0.131 0.000 1.092 125 Y CA -1.367 56.786 58.100 0.087 0.000 1.150 125 Y CB 1.054 39.589 38.460 0.125 0.000 1.200 125 Y HN 0.611 nan 8.280 nan 0.000 0.472 126 I N 5.728 126.047 120.570 -0.418 0.000 2.433 126 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 126 I C -0.221 175.410 176.117 -0.811 0.000 1.001 126 I CA -0.708 60.363 61.300 -0.381 0.000 1.119 126 I CB 1.773 39.688 38.000 -0.141 0.000 1.289 126 I HN 0.704 nan 8.210 nan 0.000 0.438 127 D N 4.830 124.886 120.400 -0.573 0.000 2.319 127 D HA -0.140 4.500 4.640 -0.000 0.000 0.230 127 D C -0.072 176.189 176.300 -0.066 0.000 1.094 127 D CA 0.092 53.811 54.000 -0.468 0.000 0.856 127 D CB -0.079 40.703 40.800 -0.030 0.000 0.915 127 D HN 0.293 nan 8.370 nan 0.000 0.517 128 Y N 2.068 122.259 120.300 -0.182 0.000 2.518 128 Y HA 0.251 4.801 4.550 -0.000 0.000 0.344 128 Y C 1.022 176.888 175.900 -0.057 0.000 0.982 128 Y CA -1.116 56.942 58.100 -0.070 0.000 1.234 128 Y CB 0.974 39.409 38.460 -0.042 0.000 1.114 128 Y HN -0.218 nan 8.280 nan 0.000 0.515 129 Q N 3.057 122.809 119.800 -0.080 0.000 2.291 129 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 129 Q C 0.586 176.396 176.000 -0.315 0.000 0.976 129 Q CA 1.007 56.724 55.803 -0.143 0.000 0.875 129 Q CB 0.086 28.810 28.738 -0.022 0.000 0.927 129 Q HN 0.680 nan 8.270 nan 0.000 0.450 130 N N 0.549 118.849 118.700 -0.667 0.000 2.370 130 N HA -0.022 4.718 4.740 -0.000 0.000 0.198 130 N C 1.402 176.462 175.510 -0.750 0.000 1.156 130 N CA -0.051 52.594 53.050 -0.676 0.000 0.839 130 N CB 0.070 38.204 38.487 -0.588 0.000 0.989 130 N HN 0.125 nan 8.380 nan 0.000 0.468 131 L N 0.695 121.501 121.223 -0.696 0.000 1.997 131 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 131 L C 1.959 178.753 176.870 -0.126 0.000 1.074 131 L CA 1.774 56.432 54.840 -0.304 0.000 0.763 131 L CB -0.871 41.111 42.059 -0.129 0.000 0.890 131 L HN 0.045 nan 8.230 nan 0.000 0.434 132 S N -0.758 114.887 115.700 -0.091 0.000 2.382 132 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 132 S C 1.808 176.427 174.600 0.032 0.000 1.027 132 S CA 1.435 59.661 58.200 0.044 0.000 0.991 132 S CB -0.260 62.960 63.200 0.034 0.000 0.823 132 S HN 0.490 nan 8.310 nan 0.000 0.469 133 K N 0.542 120.899 120.400 -0.071 0.000 2.211 133 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 133 K C 1.717 178.305 176.600 -0.019 0.000 1.050 133 K CA 0.823 57.071 56.287 -0.065 0.000 0.945 133 K CB -0.095 32.353 32.500 -0.087 0.000 0.732 133 K HN 0.184 nan 8.250 nan 0.000 0.451 134 V N 0.963 120.869 119.914 -0.013 0.000 2.992 134 V HA -0.010 4.110 4.120 -0.000 0.000 0.250 134 V C 0.785 176.903 176.094 0.041 0.000 1.090 134 V CA 0.512 62.833 62.300 0.036 0.000 1.101 134 V CB 0.602 32.490 31.823 0.107 0.000 0.743 134 V HN -0.054 nan 8.190 nan 0.000 0.468 135 V N 0.662 120.602 119.914 0.044 0.000 2.713 135 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 135 V C 0.026 176.141 176.094 0.035 0.000 1.052 135 V CA -0.651 61.660 62.300 0.018 0.000 0.967 135 V CB 1.727 33.543 31.823 -0.011 0.000 1.019 135 V HN 0.360 nan 8.190 nan 0.000 0.459 136 R N 2.640 123.128 120.500 -0.021 0.000 2.888 136 R HA 0.499 4.839 4.340 -0.000 0.000 0.266 136 R C -2.824 173.406 176.300 -0.117 0.000 1.020 136 R CA -2.123 53.964 56.100 -0.022 0.000 0.963 136 R CB 1.366 31.665 30.300 -0.002 0.000 1.197 136 R HN 0.389 nan 8.270 nan 0.000 0.481 137 P HA -0.077 nan 4.420 nan 0.000 0.260 137 P C 0.536 177.743 177.300 -0.155 0.000 1.172 137 P CA 1.398 64.407 63.100 -0.152 0.000 0.760 137 P CB 0.445 32.084 31.700 -0.101 0.000 0.773 138 G N 2.568 111.237 108.800 -0.218 0.000 2.349 138 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.213 138 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.213 138 G C 0.473 175.088 174.900 -0.474 0.000 1.044 138 G CA -0.464 44.464 45.100 -0.286 0.000 0.633 138 G HN 0.523 nan 8.290 nan 0.000 0.506 139 N N 0.606 119.106 118.700 -0.333 0.000 2.374 139 N HA 0.388 5.128 4.740 -0.000 0.000 0.241 139 N C -0.460 174.802 175.510 -0.414 0.000 1.262 139 N CA 0.502 53.365 53.050 -0.311 0.000 0.880 139 N CB 0.051 38.446 38.487 -0.153 0.000 1.105 139 N HN 0.345 nan 8.380 nan 0.000 0.438 140 Y N 0.347 120.607 120.300 -0.065 0.000 2.420 140 Y HA 0.520 5.070 4.550 -0.000 0.000 0.334 140 Y C 0.377 176.224 175.900 -0.089 0.000 1.094 140 Y CA -0.540 57.537 58.100 -0.038 0.000 1.126 140 Y CB 1.171 39.629 38.460 -0.003 0.000 1.217 140 Y HN 0.256 nan 8.280 nan 0.000 0.462 141 I N 3.891 124.573 120.570 0.187 0.000 2.439 141 I HA 0.218 4.388 4.170 -0.000 0.000 0.283 141 I C -1.333 174.970 176.117 0.309 0.000 1.023 141 I CA -0.858 60.525 61.300 0.138 0.000 1.100 141 I CB 0.748 38.812 38.000 0.106 0.000 1.238 141 I HN 0.426 nan 8.210 nan 0.000 0.445 142 Y N 6.672 127.038 120.300 0.110 0.000 2.313 142 Y HA 0.560 5.110 4.550 0.000 0.000 0.332 142 Y C 0.255 176.214 175.900 0.097 0.000 1.071 142 Y CA -1.267 56.886 58.100 0.089 0.000 1.169 142 Y CB 1.021 39.516 38.460 0.057 0.000 1.192 142 Y HN 0.304 nan 8.280 nan 0.000 0.487 143 I N 2.556 123.278 120.570 0.254 0.000 2.582 143 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 143 I C -0.548 175.659 176.117 0.149 0.000 1.066 143 I CA -0.837 60.583 61.300 0.199 0.000 1.053 143 I CB 1.999 40.132 38.000 0.222 0.000 1.241 143 I HN 0.541 nan 8.210 nan 0.000 0.421 144 D N 4.790 125.269 120.400 0.132 0.000 2.767 144 D HA -0.180 4.460 4.640 -0.000 0.000 0.239 144 D C -0.069 176.275 176.300 0.075 0.000 1.103 144 D CA 1.077 55.145 54.000 0.115 0.000 0.710 144 D CB -0.642 40.259 40.800 0.168 0.000 1.084 144 D HN 0.854 nan 8.370 nan 0.000 0.435 145 D N -1.898 118.541 120.400 0.065 0.000 3.059 145 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 145 D C 1.107 177.409 176.300 0.004 0.000 1.079 145 D CA 1.848 55.870 54.000 0.037 0.000 0.986 145 D CB -1.480 39.331 40.800 0.018 0.000 1.090 145 D HN 1.235 nan 8.370 nan 0.000 0.428 146 G N 0.213 109.021 108.800 0.015 0.000 2.143 146 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.249 146 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.249 146 G C 1.149 175.853 174.900 -0.326 0.000 0.981 146 G CA 0.498 45.489 45.100 -0.182 0.000 0.665 146 G HN 0.512 nan 8.290 nan 0.000 0.528 147 I N -0.752 119.709 120.570 -0.180 0.000 2.286 147 I HA 0.087 4.257 4.170 -0.000 0.000 0.245 147 I C 1.382 177.360 176.117 -0.231 0.000 1.104 147 I CA 0.724 61.863 61.300 -0.268 0.000 1.397 147 I CB -0.014 37.764 38.000 -0.370 0.000 1.072 147 I HN 0.268 nan 8.210 nan 0.000 0.417 148 L N 1.881 123.072 121.223 -0.054 0.000 2.264 148 L HA 0.436 4.776 4.340 -0.000 0.000 0.289 148 L C -0.555 176.340 176.870 0.041 0.000 1.044 148 L CA 0.116 54.980 54.840 0.040 0.000 0.807 148 L CB 0.715 42.865 42.059 0.151 0.000 1.192 148 L HN -0.044 nan 8.230 nan 0.000 0.425 149 I N 6.751 127.338 120.570 0.029 0.000 2.359 149 I HA 0.302 4.472 4.170 -0.000 0.000 0.284 149 I C -0.607 175.624 176.117 0.189 0.000 1.018 149 I CA -0.424 60.951 61.300 0.125 0.000 1.173 149 I CB 1.029 39.035 38.000 0.011 0.000 1.326 149 I HN 0.491 nan 8.210 nan 0.000 0.462 150 L N 6.040 127.407 121.223 0.239 0.000 2.357 150 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 150 L C -0.064 176.935 176.870 0.215 0.000 1.080 150 L CA -0.520 54.429 54.840 0.182 0.000 0.803 150 L CB 1.276 43.426 42.059 0.152 0.000 1.174 150 L HN 0.583 nan 8.230 nan 0.000 0.443 151 Q N 1.454 121.327 119.800 0.123 0.000 2.316 151 Q HA 0.406 4.746 4.340 -0.000 0.000 0.264 151 Q C -1.248 174.690 176.000 -0.103 0.000 0.987 151 Q CA -0.753 55.046 55.803 -0.006 0.000 0.852 151 Q CB 2.308 31.018 28.738 -0.047 0.000 1.287 151 Q HN 0.459 nan 8.270 nan 0.000 0.448 152 V N 5.010 124.822 119.914 -0.170 0.000 2.479 152 V HA -0.026 4.094 4.120 -0.000 0.000 0.281 152 V C 0.655 176.632 176.094 -0.194 0.000 1.031 152 V CA 0.178 62.367 62.300 -0.186 0.000 1.038 152 V CB 1.127 32.829 31.823 -0.202 0.000 0.981 152 V HN 0.875 nan 8.190 nan 0.000 0.478 153 Q N 2.999 122.692 119.800 -0.178 0.000 2.387 153 Q HA 0.212 4.552 4.340 -0.000 0.000 0.208 153 Q C 0.676 176.586 176.000 -0.149 0.000 0.935 153 Q CA 0.818 56.534 55.803 -0.145 0.000 0.891 153 Q CB 0.684 29.352 28.738 -0.116 0.000 1.007 153 Q HN 0.896 nan 8.270 nan 0.000 0.548 154 S N -0.954 114.637 115.700 -0.182 0.000 2.611 154 S HA 0.416 4.886 4.470 -0.000 0.000 0.268 154 S C -1.285 173.169 174.600 -0.243 0.000 1.156 154 S CA -0.937 57.159 58.200 -0.173 0.000 0.817 154 S CB 0.700 63.870 63.200 -0.050 0.000 1.122 154 S HN 0.226 nan 8.310 nan 0.000 0.466 155 H N 1.059 120.119 119.070 -0.016 0.000 2.911 155 H HA 0.373 4.929 4.556 -0.000 0.000 0.273 155 H C 1.109 176.444 175.328 0.011 0.000 1.157 155 H CA -0.166 55.875 56.048 -0.011 0.000 1.402 155 H CB 1.143 30.892 29.762 -0.022 0.000 1.463 155 H HN 0.856 nan 8.280 nan 0.000 0.475 156 E N 2.674 122.943 120.200 0.115 0.000 2.070 156 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 156 E C 0.174 176.809 176.600 0.060 0.000 1.004 156 E CA 2.113 58.574 56.400 0.102 0.000 0.805 156 E CB 0.314 30.094 29.700 0.132 0.000 0.744 156 E HN 0.877 nan 8.360 nan 0.000 0.451 157 D N -2.907 117.530 120.400 0.062 0.000 2.921 157 D HA 0.135 4.775 4.640 -0.000 0.000 0.329 157 D C 0.246 176.564 176.300 0.029 0.000 1.293 157 D CA -0.566 53.452 54.000 0.031 0.000 0.964 157 D CB -0.301 40.498 40.800 -0.001 0.000 1.435 157 D HN -0.048 nan 8.370 nan 0.000 0.548 158 E N -1.115 119.081 120.200 -0.007 0.000 2.409 158 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 158 E C 0.676 177.264 176.600 -0.020 0.000 1.024 158 E CA 0.857 57.237 56.400 -0.034 0.000 0.861 158 E CB 0.111 29.785 29.700 -0.045 0.000 0.788 158 E HN 0.350 nan 8.360 nan 0.000 0.521 159 Q N -0.882 118.918 119.800 -0.001 0.000 2.140 159 Q HA 0.127 4.467 4.340 -0.000 0.000 0.227 159 Q C -0.547 175.448 176.000 -0.008 0.000 0.798 159 Q CA 0.130 55.932 55.803 -0.003 0.000 0.987 159 Q CB 1.859 30.603 28.738 0.009 0.000 1.161 159 Q HN -0.076 nan 8.270 nan 0.000 0.480 160 T N 0.833 115.393 114.554 0.010 0.000 2.916 160 T HA 0.537 4.887 4.350 -0.000 0.000 0.298 160 T C -0.942 173.781 174.700 0.037 0.000 1.031 160 T CA -0.504 61.593 62.100 -0.005 0.000 0.993 160 T CB 1.505 70.355 68.868 -0.030 0.000 1.045 160 T HN 0.023 nan 8.240 nan 0.000 0.454 161 L N 2.339 123.555 121.223 -0.012 0.000 2.322 161 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 161 L C 0.481 177.303 176.870 -0.079 0.000 1.014 161 L CA -0.880 53.918 54.840 -0.070 0.000 0.815 161 L CB 1.688 43.663 42.059 -0.140 0.000 1.247 161 L HN 0.645 nan 8.230 nan 0.000 0.421 162 E N 2.603 122.745 120.200 -0.096 0.000 2.259 162 E HA 0.282 4.632 4.350 -0.000 0.000 0.281 162 E C -1.381 175.040 176.600 -0.299 0.000 1.037 162 E CA -0.457 55.756 56.400 -0.312 0.000 0.854 162 E CB 1.055 30.666 29.700 -0.149 0.000 1.051 162 E HN 0.595 nan 8.360 nan 0.000 0.409 163 C N 3.279 122.365 119.300 -0.356 0.000 2.614 163 C HA 0.452 4.912 4.460 -0.000 0.000 0.320 163 C C -0.006 174.882 174.990 -0.170 0.000 1.200 163 C CA -0.651 58.245 59.018 -0.204 0.000 1.700 163 C CB 1.694 29.354 27.740 -0.133 0.000 2.275 163 C HN 0.723 nan 8.230 nan 0.000 0.492 164 T N 1.806 116.305 114.554 -0.093 0.000 2.845 164 T HA 0.359 4.708 4.350 -0.000 0.000 0.288 164 T C -0.099 174.605 174.700 0.006 0.000 0.980 164 T CA -0.206 61.868 62.100 -0.044 0.000 1.071 164 T CB 0.866 69.721 68.868 -0.022 0.000 0.941 164 T HN 0.446 nan 8.240 nan 0.000 0.487 165 V N 4.344 124.267 119.914 0.015 0.000 2.389 165 V HA 0.147 4.267 4.120 -0.000 0.000 0.264 165 V C 1.783 177.905 176.094 0.046 0.000 1.049 165 V CA -0.036 62.290 62.300 0.043 0.000 0.932 165 V CB 0.574 32.419 31.823 0.037 0.000 1.011 165 V HN 1.187 nan 8.190 nan 0.000 0.475 166 T N 0.932 115.527 114.554 0.068 0.000 3.067 166 T HA 0.057 4.407 4.350 -0.000 0.000 0.257 166 T C 0.604 175.320 174.700 0.027 0.000 1.105 166 T CA 0.359 62.495 62.100 0.060 0.000 1.104 166 T CB -0.082 68.847 68.868 0.101 0.000 0.925 166 T HN 0.703 nan 8.240 nan 0.000 0.498 167 N N -0.103 118.609 118.700 0.020 0.000 2.484 167 N HA 0.238 4.978 4.740 -0.000 0.000 0.269 167 N C -1.785 173.736 175.510 0.017 0.000 1.237 167 N CA -0.615 52.435 53.050 0.000 0.000 0.838 167 N CB 1.617 40.083 38.487 -0.035 0.000 1.593 167 N HN -0.022 nan 8.380 nan 0.000 0.485 168 S N 0.282 115.993 115.700 0.017 0.000 2.565 168 S HA 0.363 4.833 4.470 -0.000 0.000 0.276 168 S C -0.878 173.786 174.600 0.106 0.000 1.326 168 S CA 0.146 58.368 58.200 0.037 0.000 1.045 168 S CB -0.286 62.925 63.200 0.019 0.000 0.918 168 S HN 0.729 nan 8.310 nan 0.000 0.505 169 H N 0.264 119.300 119.070 -0.057 0.000 3.136 169 H HA 0.219 4.775 4.556 -0.000 0.000 0.313 169 H C -1.100 174.170 175.328 -0.098 0.000 1.103 169 H CA -0.368 55.639 56.048 -0.069 0.000 1.437 169 H CB 0.404 30.127 29.762 -0.065 0.000 2.063 169 H HN 0.516 nan 8.280 nan 0.000 0.495 170 T N 5.977 120.255 114.554 -0.461 0.000 2.832 170 T HA 0.498 4.848 4.350 -0.000 0.000 0.296 170 T C 0.388 174.697 174.700 -0.651 0.000 0.968 170 T CA -0.350 61.483 62.100 -0.445 0.000 1.107 170 T CB -0.225 68.465 68.868 -0.297 0.000 0.916 170 T HN 0.447 nan 8.240 nan 0.000 0.517 171 I N 0.520 120.790 120.570 -0.500 0.000 2.465 171 I HA 0.709 4.879 4.170 -0.000 0.000 0.291 171 I C 0.319 176.232 176.117 -0.340 0.000 1.014 171 I CA -0.901 60.154 61.300 -0.408 0.000 1.093 171 I CB 2.033 39.835 38.000 -0.331 0.000 1.267 171 I HN 0.543 nan 8.210 nan 0.000 0.431 172 S N 2.686 118.311 115.700 -0.125 0.000 2.666 172 S HA 0.382 4.852 4.470 -0.000 0.000 0.279 172 S C -0.283 174.461 174.600 0.239 0.000 1.149 172 S CA -0.784 57.429 58.200 0.021 0.000 1.020 172 S CB 0.579 63.784 63.200 0.009 0.000 1.127 172 S HN 0.650 nan 8.310 nan 0.000 0.537 173 D N 1.057 121.600 120.400 0.239 0.000 2.488 173 D HA 0.162 4.802 4.640 -0.000 0.000 0.238 173 D C 0.206 176.579 176.300 0.122 0.000 1.138 173 D CA 0.799 54.909 54.000 0.184 0.000 0.873 173 D CB -0.145 40.706 40.800 0.085 0.000 1.183 173 D HN 0.556 nan 8.370 nan 0.000 0.458 174 R N 0.251 120.798 120.500 0.079 0.000 3.332 174 R HA -0.235 4.105 4.340 -0.000 0.000 0.263 174 R C -0.211 176.144 176.300 0.091 0.000 1.053 174 R CA 0.275 56.416 56.100 0.069 0.000 0.705 174 R CB -1.244 29.085 30.300 0.048 0.000 1.166 174 R HN 0.305 nan 8.270 nan 0.000 0.427 175 R N 0.241 120.819 120.500 0.129 0.000 2.615 175 R HA 0.317 4.657 4.340 -0.000 0.000 0.270 175 R C 1.017 177.377 176.300 0.101 0.000 1.081 175 R CA 0.848 57.016 56.100 0.113 0.000 1.154 175 R CB 0.633 31.007 30.300 0.125 0.000 1.063 175 R HN 0.321 nan 8.270 nan 0.000 0.519 176 G N 0.427 109.273 108.800 0.077 0.000 2.467 176 G HA2 0.406 4.366 3.960 -0.000 0.000 0.257 176 G HA3 0.406 4.366 3.960 -0.000 0.000 0.257 176 G C -0.859 174.090 174.900 0.081 0.000 1.227 176 G CA -0.324 44.807 45.100 0.053 0.000 0.835 176 G HN 0.489 nan 8.290 nan 0.000 0.556 177 V N 0.323 120.275 119.914 0.063 0.000 2.864 177 V HA 0.716 4.836 4.120 -0.000 0.000 0.314 177 V C -0.483 175.646 176.094 0.059 0.000 1.073 177 V CA -1.303 61.056 62.300 0.099 0.000 0.956 177 V CB 2.017 33.914 31.823 0.124 0.000 1.023 177 V HN 0.775 nan 8.190 nan 0.000 0.435 178 N N 2.735 121.493 118.700 0.096 0.000 2.469 178 N HA 0.665 5.405 4.740 -0.000 0.000 0.286 178 N C -1.876 173.620 175.510 -0.022 0.000 1.275 178 N CA -0.566 52.507 53.050 0.039 0.000 0.790 178 N CB 2.115 40.646 38.487 0.074 0.000 1.446 178 N HN 0.507 nan 8.380 nan 0.000 0.501 179 L N 2.083 123.276 121.223 -0.050 0.000 2.480 179 L HA 0.329 4.669 4.340 -0.000 0.000 0.253 179 L C -1.825 174.980 176.870 -0.108 0.000 1.324 179 L CA -1.534 53.263 54.840 -0.072 0.000 0.916 179 L CB 1.012 43.085 42.059 0.022 0.000 1.160 179 L HN 0.377 nan 8.230 nan 0.000 0.503 180 P HA -0.016 nan 4.420 nan 0.000 0.223 180 P C 1.090 178.310 177.300 -0.132 0.000 1.151 180 P CA 0.789 63.791 63.100 -0.164 0.000 0.787 180 P CB 0.509 32.056 31.700 -0.255 0.000 0.788 181 G N -1.583 107.142 108.800 -0.124 0.000 3.707 181 G HA2 0.256 4.216 3.960 -0.000 0.000 0.286 181 G HA3 0.256 4.216 3.960 -0.000 0.000 0.286 181 G C -0.452 174.369 174.900 -0.132 0.000 1.112 181 G CA -0.015 44.996 45.100 -0.148 0.000 0.861 181 G HN 0.240 nan 8.290 nan 0.000 0.534 182 C N 0.631 119.872 119.300 -0.099 0.000 2.547 182 C HA 0.410 4.870 4.460 -0.000 0.000 0.313 182 C C -0.940 174.044 174.990 -0.010 0.000 1.191 182 C CA -1.256 57.741 59.018 -0.034 0.000 1.474 182 C CB 1.881 29.629 27.740 0.014 0.000 2.081 182 C HN 0.372 nan 8.230 nan 0.000 0.476 183 D N 2.755 123.160 120.400 0.008 0.000 2.422 183 D HA 0.205 4.845 4.640 -0.000 0.000 0.227 183 D C 0.025 176.363 176.300 0.063 0.000 1.190 183 D CA 0.245 54.258 54.000 0.022 0.000 0.905 183 D CB 1.015 41.826 40.800 0.017 0.000 1.034 183 D HN 0.220 nan 8.370 nan 0.000 0.507 184 V N 2.971 122.914 119.914 0.048 0.000 2.555 184 V HA 0.030 4.150 4.120 -0.000 0.000 0.286 184 V C 0.850 176.973 176.094 0.048 0.000 1.044 184 V CA -0.136 62.205 62.300 0.068 0.000 1.026 184 V CB 1.281 33.131 31.823 0.045 0.000 0.981 184 V HN 0.476 nan 8.190 nan 0.000 0.480 185 D N 3.442 123.939 120.400 0.162 0.000 2.696 185 D HA 0.174 4.814 4.640 -0.000 0.000 0.269 185 D C 0.153 176.542 176.300 0.148 0.000 1.319 185 D CA -0.425 53.654 54.000 0.131 0.000 0.826 185 D CB -0.199 40.685 40.800 0.141 0.000 1.086 185 D HN 0.361 nan 8.370 nan 0.000 0.481 186 L N 0.469 121.746 121.223 0.090 0.000 2.529 186 L HA 0.166 4.506 4.340 -0.000 0.000 0.287 186 L C -1.605 175.313 176.870 0.080 0.000 1.241 186 L CA -1.224 53.670 54.840 0.089 0.000 0.857 186 L CB -0.259 41.823 42.059 0.038 0.000 1.113 186 L HN -0.022 nan 8.230 nan 0.000 0.504 187 P HA 0.006 nan 4.420 nan 0.000 0.269 187 P C 0.024 177.361 177.300 0.061 0.000 1.217 187 P CA -0.177 62.960 63.100 0.061 0.000 0.783 187 P CB 0.613 32.350 31.700 0.062 0.000 0.898 188 A N 1.397 124.243 122.820 0.044 0.000 1.930 188 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 188 A C 0.808 178.429 177.584 0.061 0.000 1.175 188 A CA 1.428 53.491 52.037 0.043 0.000 0.627 188 A CB -0.492 18.522 19.000 0.024 0.000 0.815 188 A HN 0.412 nan 8.150 nan 0.000 0.443 189 V N 1.109 121.055 119.914 0.053 0.000 2.483 189 V HA 0.372 4.492 4.120 -0.000 0.000 0.297 189 V C 0.388 176.514 176.094 0.053 0.000 1.027 189 V CA -0.306 62.024 62.300 0.051 0.000 0.855 189 V CB 1.457 33.303 31.823 0.039 0.000 0.995 189 V HN 0.569 nan 8.190 nan 0.000 0.424 190 S N 4.632 120.365 115.700 0.056 0.000 2.617 190 S HA 0.476 4.946 4.470 -0.000 0.000 0.259 190 S C 1.482 176.113 174.600 0.051 0.000 1.301 190 S CA 0.249 58.481 58.200 0.053 0.000 0.984 190 S CB 1.404 64.634 63.200 0.049 0.000 0.954 190 S HN 1.075 nan 8.310 nan 0.000 0.572 191 A N 0.840 123.689 122.820 0.049 0.000 1.930 191 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 191 A C 2.188 179.804 177.584 0.053 0.000 1.175 191 A CA 1.616 53.682 52.037 0.047 0.000 0.627 191 A CB -0.900 18.125 19.000 0.041 0.000 0.815 191 A HN 0.918 nan 8.150 nan 0.000 0.443 192 K N -0.393 120.039 120.400 0.054 0.000 2.057 192 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 192 K C 1.240 177.902 176.600 0.105 0.000 1.049 192 K CA 1.666 57.994 56.287 0.069 0.000 0.931 192 K CB -0.259 32.277 32.500 0.060 0.000 0.714 192 K HN 0.355 nan 8.250 nan 0.000 0.440 193 D N 0.533 120.982 120.400 0.083 0.000 2.123 193 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 193 D C 2.020 178.357 176.300 0.062 0.000 0.992 193 D CA 1.068 55.108 54.000 0.067 0.000 0.833 193 D CB -0.133 40.695 40.800 0.047 0.000 0.954 193 D HN 0.208 nan 8.370 nan 0.000 0.455 194 R N 0.157 120.695 120.500 0.063 0.000 2.091 194 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 194 R C 2.190 178.543 176.300 0.088 0.000 1.136 194 R CA 0.763 56.899 56.100 0.060 0.000 0.959 194 R CB -0.149 30.183 30.300 0.054 0.000 0.856 194 R HN 0.056 nan 8.270 nan 0.000 0.437 195 V N 0.787 120.773 119.914 0.121 0.000 2.871 195 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 195 V C 1.184 177.444 176.094 0.276 0.000 1.082 195 V CA 1.534 63.948 62.300 0.190 0.000 1.105 195 V CB -0.228 31.693 31.823 0.163 0.000 0.713 195 V HN 0.286 nan 8.190 nan 0.000 0.473 196 D N 0.101 120.621 120.400 0.201 0.000 2.137 196 D HA -0.030 4.610 4.640 -0.000 0.000 0.202 196 D C 2.145 178.422 176.300 -0.039 0.000 0.970 196 D CA 0.951 55.024 54.000 0.121 0.000 0.837 196 D CB -0.098 40.736 40.800 0.057 0.000 0.981 196 D HN 0.300 nan 8.370 nan 0.000 0.475 197 L N 0.397 121.608 121.223 -0.019 0.000 2.046 197 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 197 L C 2.454 179.320 176.870 -0.008 0.000 1.077 197 L CA 0.938 55.753 54.840 -0.042 0.000 0.747 197 L CB -0.264 41.781 42.059 -0.022 0.000 0.896 197 L HN 0.002 nan 8.230 nan 0.000 0.432 198 Q N 0.036 119.865 119.800 0.048 0.000 2.124 198 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 198 Q C 2.005 178.041 176.000 0.060 0.000 0.977 198 Q CA 1.821 57.657 55.803 0.056 0.000 0.850 198 Q CB -0.461 28.329 28.738 0.087 0.000 0.901 198 Q HN 0.447 nan 8.270 nan 0.000 0.429 199 F N -0.368 119.544 119.950 -0.063 0.000 2.134 199 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 199 F C 1.822 177.542 175.800 -0.134 0.000 1.097 199 F CA 1.860 59.789 58.000 -0.118 0.000 1.264 199 F CB -0.590 38.208 39.000 -0.336 0.000 1.001 199 F HN 0.159 nan 8.300 nan 0.000 0.479 200 G N -0.010 108.744 108.800 -0.077 0.000 2.418 200 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 200 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 200 G C 1.701 176.490 174.900 -0.185 0.000 1.158 200 G CA 1.162 46.158 45.100 -0.172 0.000 0.771 200 G HN 0.343 nan 8.290 nan 0.000 0.545 201 V N 0.705 120.541 119.914 -0.131 0.000 2.343 201 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 201 V C 2.650 178.664 176.094 -0.134 0.000 1.051 201 V CA 2.249 64.485 62.300 -0.107 0.000 1.036 201 V CB -0.568 31.216 31.823 -0.064 0.000 0.654 201 V HN 0.451 nan 8.190 nan 0.000 0.451 202 E N -0.275 119.824 120.200 -0.168 0.000 2.077 202 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 202 E C 2.040 178.495 176.600 -0.241 0.000 0.989 202 E CA 1.057 57.348 56.400 -0.182 0.000 0.800 202 E CB -0.085 29.505 29.700 -0.184 0.000 0.746 202 E HN 0.489 nan 8.360 nan 0.000 0.452 203 Q N -0.651 118.924 119.800 -0.375 0.000 2.320 203 Q HA 0.111 4.451 4.340 -0.000 0.000 0.201 203 Q C 0.599 176.473 176.000 -0.209 0.000 0.910 203 Q CA 0.576 56.175 55.803 -0.339 0.000 0.946 203 Q CB 0.870 29.294 28.738 -0.524 0.000 1.062 203 Q HN 0.369 nan 8.270 nan 0.000 0.503 204 G N 1.462 110.157 108.800 -0.174 0.000 2.295 204 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.287 204 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.287 204 G C 0.385 175.219 174.900 -0.111 0.000 1.055 204 G CA 0.400 45.427 45.100 -0.122 0.000 0.922 204 G HN 0.376 nan 8.290 nan 0.000 0.503 205 V N -2.694 117.145 119.914 -0.125 0.000 2.843 205 V HA 0.333 4.453 4.120 -0.000 0.000 0.305 205 V C 1.351 177.388 176.094 -0.096 0.000 1.065 205 V CA 0.537 62.770 62.300 -0.111 0.000 1.116 205 V CB 1.010 32.755 31.823 -0.130 0.000 0.968 205 V HN 0.247 nan 8.190 nan 0.000 0.487 206 D N 3.569 123.916 120.400 -0.089 0.000 2.117 206 D HA 0.012 4.652 4.640 -0.000 0.000 0.198 206 D C 0.799 177.056 176.300 -0.070 0.000 0.982 206 D CA 2.127 56.085 54.000 -0.070 0.000 0.828 206 D CB 0.113 40.880 40.800 -0.054 0.000 0.967 206 D HN 0.834 nan 8.370 nan 0.000 0.464 207 M N -0.814 118.718 119.600 -0.114 0.000 2.622 207 M HA 0.460 4.940 4.480 -0.000 0.000 0.276 207 M C -1.669 174.519 176.300 -0.188 0.000 1.265 207 M CA -0.915 54.322 55.300 -0.106 0.000 0.850 207 M CB 2.997 35.568 32.600 -0.048 0.000 1.720 207 M HN -0.374 nan 8.290 nan 0.000 0.465 208 I N 2.415 122.926 120.570 -0.097 0.000 2.378 208 I HA 0.422 4.592 4.170 -0.000 0.000 0.291 208 I C -1.326 174.856 176.117 0.108 0.000 0.992 208 I CA -0.374 60.871 61.300 -0.091 0.000 1.154 208 I CB 1.455 39.430 38.000 -0.042 0.000 1.315 208 I HN 0.597 nan 8.210 nan 0.000 0.448 209 F N 4.563 124.503 119.950 -0.017 0.000 2.368 209 F HA 0.426 4.953 4.527 -0.000 0.000 0.362 209 F C 0.871 176.674 175.800 0.005 0.000 1.137 209 F CA -1.444 56.558 58.000 0.004 0.000 1.161 209 F CB 0.713 39.724 39.000 0.019 0.000 1.265 209 F HN 0.456 nan 8.300 nan 0.000 0.530 210 A N 3.149 126.082 122.820 0.188 0.000 2.310 210 A HA 0.499 4.819 4.320 -0.000 0.000 0.300 210 A C 0.512 178.165 177.584 0.115 0.000 1.269 210 A CA -0.351 51.754 52.037 0.113 0.000 0.909 210 A CB -0.105 18.941 19.000 0.077 0.000 1.144 210 A HN 0.597 nan 8.150 nan 0.000 0.540 211 S N 1.460 117.236 115.700 0.127 0.000 2.579 211 S HA 0.320 4.790 4.470 -0.000 0.000 0.275 211 S C 0.249 174.986 174.600 0.228 0.000 1.345 211 S CA 0.031 58.324 58.200 0.155 0.000 1.031 211 S CB -0.152 63.128 63.200 0.133 0.000 0.892 211 S HN 1.202 nan 8.310 nan 0.000 0.529 212 F N 0.940 120.899 119.950 0.015 0.000 2.943 212 F HA -0.165 4.362 4.527 0.000 0.000 0.258 212 F C -0.408 175.394 175.800 0.005 0.000 0.995 212 F CA -0.284 57.720 58.000 0.006 0.000 0.896 212 F CB -1.158 37.840 39.000 -0.003 0.000 0.821 212 F HN 0.424 nan 8.300 nan 0.000 0.828 213 I N 4.000 124.558 120.570 -0.021 0.000 2.347 213 I HA 0.040 4.210 4.170 -0.000 0.000 0.294 213 I C 1.552 177.578 176.117 -0.152 0.000 1.090 213 I CA -0.095 61.164 61.300 -0.069 0.000 1.314 213 I CB 0.774 38.762 38.000 -0.020 0.000 1.423 213 I HN 0.251 nan 8.210 nan 0.000 0.503 214 R N 4.262 124.628 120.500 -0.222 0.000 2.115 214 R HA -0.015 4.325 4.340 -0.000 0.000 0.226 214 R C 0.688 176.925 176.300 -0.106 0.000 1.100 214 R CA 0.469 56.450 56.100 -0.199 0.000 0.980 214 R CB -0.479 29.678 30.300 -0.237 0.000 0.875 214 R HN 0.657 nan 8.270 nan 0.000 0.445 215 S N -2.239 113.416 115.700 -0.076 0.000 2.596 215 S HA 0.618 5.088 4.470 -0.000 0.000 0.270 215 S C 0.428 175.009 174.600 -0.032 0.000 1.155 215 S CA -0.346 57.825 58.200 -0.047 0.000 0.827 215 S CB 1.762 64.939 63.200 -0.039 0.000 1.130 215 S HN 0.061 nan 8.310 nan 0.000 0.467 216 A N 0.806 123.611 122.820 -0.024 0.000 1.933 216 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 216 A C 1.949 179.526 177.584 -0.012 0.000 1.175 216 A CA 1.839 53.866 52.037 -0.017 0.000 0.628 216 A CB -1.142 17.849 19.000 -0.015 0.000 0.814 216 A HN 1.008 nan 8.150 nan 0.000 0.444 217 E N -0.424 119.769 120.200 -0.012 0.000 2.110 217 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 217 E C 2.134 178.731 176.600 -0.005 0.000 0.988 217 E CA 1.357 57.753 56.400 -0.007 0.000 0.804 217 E CB -0.224 29.472 29.700 -0.007 0.000 0.745 217 E HN 0.754 nan 8.360 nan 0.000 0.458 218 Q N 0.169 119.963 119.800 -0.010 0.000 2.124 218 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 218 Q C 2.230 178.230 176.000 0.000 0.000 0.977 218 Q CA 1.733 57.533 55.803 -0.006 0.000 0.850 218 Q CB 0.172 28.899 28.738 -0.018 0.000 0.901 218 Q HN 0.287 nan 8.270 nan 0.000 0.429 219 V N 0.147 120.060 119.914 -0.002 0.000 2.343 219 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 219 V C 2.315 178.412 176.094 0.004 0.000 1.051 219 V CA 1.858 64.160 62.300 0.003 0.000 1.036 219 V CB -1.284 30.540 31.823 0.001 0.000 0.654 219 V HN 0.575 nan 8.190 nan 0.000 0.451 220 G N -0.189 108.612 108.800 0.002 0.000 2.422 220 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 220 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 220 G C 1.226 176.129 174.900 0.005 0.000 1.146 220 G CA 1.008 46.110 45.100 0.003 0.000 0.769 220 G HN 0.502 nan 8.290 nan 0.000 0.547 221 D N 0.254 120.658 120.400 0.007 0.000 2.144 221 D HA -0.084 4.556 4.640 -0.000 0.000 0.199 221 D C 2.755 179.061 176.300 0.011 0.000 0.984 221 D CA 0.641 54.647 54.000 0.010 0.000 0.834 221 D CB -0.331 40.476 40.800 0.012 0.000 0.955 221 D HN 0.223 nan 8.370 nan 0.000 0.465 222 V N 0.905 120.826 119.914 0.011 0.000 2.343 222 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 222 V C 2.479 178.576 176.094 0.005 0.000 1.051 222 V CA 1.359 63.665 62.300 0.009 0.000 1.036 222 V CB -0.387 31.443 31.823 0.012 0.000 0.654 222 V HN 0.038 nan 8.190 nan 0.000 0.451 223 R N 0.999 121.502 120.500 0.005 0.000 2.096 223 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 223 R C 2.233 178.534 176.300 0.002 0.000 1.127 223 R CA 1.932 58.033 56.100 0.003 0.000 0.968 223 R CB -0.504 29.798 30.300 0.004 0.000 0.861 223 R HN 0.533 nan 8.270 nan 0.000 0.440 224 K N -0.800 119.602 120.400 0.005 0.000 2.103 224 K HA 0.027 4.347 4.320 -0.000 0.000 0.204 224 K C 1.812 178.416 176.600 0.007 0.000 1.052 224 K CA 1.117 57.408 56.287 0.006 0.000 0.945 224 K CB -0.156 32.349 32.500 0.008 0.000 0.722 224 K HN 0.213 nan 8.250 nan 0.000 0.443 225 A N 1.251 124.076 122.820 0.008 0.000 1.972 225 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 225 A C 2.037 179.624 177.584 0.005 0.000 1.169 225 A CA 1.092 53.135 52.037 0.010 0.000 0.635 225 A CB -0.530 18.477 19.000 0.013 0.000 0.810 225 A HN 0.314 nan 8.150 nan 0.000 0.446 226 L N -1.331 119.891 121.223 -0.002 0.000 2.093 226 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 226 L C 1.652 178.518 176.870 -0.007 0.000 1.085 226 L CA 0.693 55.527 54.840 -0.010 0.000 0.755 226 L CB -1.013 41.037 42.059 -0.015 0.000 0.904 226 L HN 0.690 nan 8.230 nan 0.000 0.435 227 G N -0.824 107.975 108.800 -0.002 0.000 2.681 227 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 227 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 227 G C -2.134 172.764 174.900 -0.002 0.000 1.353 227 G CA -0.245 44.855 45.100 -0.000 0.000 0.872 227 G HN 0.050 nan 8.290 nan 0.000 0.557 228 P HA 0.024 nan 4.420 nan 0.000 0.216 228 P C 1.842 179.139 177.300 -0.005 0.000 1.153 228 P CA 1.668 64.767 63.100 -0.001 0.000 0.848 228 P CB 0.026 31.726 31.700 0.001 0.000 0.787 229 K N -0.771 119.625 120.400 -0.007 0.000 2.209 229 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 229 K C 1.895 178.484 176.600 -0.019 0.000 1.048 229 K CA 1.493 57.772 56.287 -0.013 0.000 0.940 229 K CB -0.817 31.674 32.500 -0.016 0.000 0.729 229 K HN 0.211 nan 8.250 nan 0.000 0.451 230 G N 1.580 110.370 108.800 -0.018 0.000 3.337 230 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.246 230 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.246 230 G C 1.282 176.172 174.900 -0.016 0.000 1.131 230 G CA -0.375 44.711 45.100 -0.023 0.000 0.773 230 G HN 0.288 nan 8.290 nan 0.000 0.544 231 R N 0.019 120.513 120.500 -0.010 0.000 2.152 231 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 231 R C 0.488 176.786 176.300 -0.003 0.000 1.117 231 R CA 1.381 57.479 56.100 -0.005 0.000 0.981 231 R CB -0.130 30.170 30.300 -0.001 0.000 0.870 231 R HN 0.026 nan 8.270 nan 0.000 0.451 232 D N 0.877 121.274 120.400 -0.006 0.000 2.340 232 D HA 0.203 4.843 4.640 -0.000 0.000 0.217 232 D C 0.226 176.521 176.300 -0.008 0.000 1.081 232 D CA 0.107 54.105 54.000 -0.003 0.000 0.842 232 D CB 0.225 41.025 40.800 -0.001 0.000 0.934 232 D HN 0.255 nan 8.370 nan 0.000 0.511 233 I N 1.120 121.681 120.570 -0.015 0.000 2.441 233 I HA 0.102 4.272 4.170 -0.000 0.000 0.287 233 I C 0.752 176.864 176.117 -0.008 0.000 1.049 233 I CA -0.337 60.950 61.300 -0.022 0.000 1.381 233 I CB 0.944 38.921 38.000 -0.039 0.000 1.409 233 I HN -0.360 nan 8.210 nan 0.000 0.523 234 M N 6.659 126.259 119.600 0.000 0.000 2.200 234 M HA 0.324 4.804 4.480 -0.000 0.000 0.355 234 M C -0.467 175.852 176.300 0.032 0.000 1.283 234 M CA 0.204 55.517 55.300 0.021 0.000 1.124 234 M CB 0.587 33.210 32.600 0.037 0.000 1.625 234 M HN 0.392 nan 8.290 nan 0.000 0.463 235 I N 4.891 125.484 120.570 0.038 0.000 2.306 235 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 235 I C -0.499 175.664 176.117 0.077 0.000 1.036 235 I CA -0.594 60.738 61.300 0.053 0.000 1.221 235 I CB 0.614 38.634 38.000 0.033 0.000 1.385 235 I HN 0.463 nan 8.210 nan 0.000 0.472 236 I N 5.764 126.417 120.570 0.137 0.000 2.315 236 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 236 I C 0.023 176.192 176.117 0.087 0.000 1.006 236 I CA -0.443 60.933 61.300 0.128 0.000 1.265 236 I CB 1.041 39.175 38.000 0.223 0.000 1.387 236 I HN 0.538 nan 8.210 nan 0.000 0.475 237 C N 6.695 126.015 119.300 0.033 0.000 2.265 237 C HA 0.304 4.764 4.460 -0.000 0.000 0.332 237 C C 0.802 175.789 174.990 -0.005 0.000 1.248 237 C CA -1.061 57.970 59.018 0.022 0.000 1.727 237 C CB -0.472 27.274 27.740 0.011 0.000 2.348 237 C HN 0.615 nan 8.230 nan 0.000 0.519 238 K N 3.545 123.950 120.400 0.009 0.000 2.339 238 K HA 0.390 4.710 4.320 -0.000 0.000 0.286 238 K C -0.294 176.317 176.600 0.019 0.000 1.050 238 K CA 0.006 56.293 56.287 0.000 0.000 0.956 238 K CB 0.503 33.020 32.500 0.030 0.000 0.990 238 K HN 0.516 nan 8.250 nan 0.000 0.475 239 I N 4.038 124.611 120.570 0.005 0.000 2.306 239 I HA 0.082 4.252 4.170 -0.000 0.000 0.288 239 I C 0.680 176.820 176.117 0.037 0.000 1.036 239 I CA 0.129 61.434 61.300 0.008 0.000 1.221 239 I CB 0.751 38.744 38.000 -0.013 0.000 1.385 239 I HN 0.793 nan 8.210 nan 0.000 0.472 240 E N 4.021 124.270 120.200 0.081 0.000 2.606 240 E HA 0.073 4.423 4.350 -0.000 0.000 0.224 240 E C -0.145 176.552 176.600 0.162 0.000 0.930 240 E CA -0.118 56.362 56.400 0.134 0.000 1.125 240 E CB 0.678 30.501 29.700 0.205 0.000 1.123 240 E HN 0.719 nan 8.360 nan 0.000 0.522 241 N N -0.803 117.966 118.700 0.115 0.000 3.038 241 N HA 0.073 4.813 4.740 -0.000 0.000 0.307 241 N C 0.450 176.001 175.510 0.068 0.000 1.441 241 N CA -0.643 52.477 53.050 0.117 0.000 0.772 241 N CB 0.431 39.000 38.487 0.136 0.000 1.651 241 N HN -0.178 nan 8.380 nan 0.000 0.593 242 H N -0.806 118.262 119.070 -0.002 0.000 2.321 242 H HA 0.025 4.581 4.556 -0.000 0.000 0.300 242 H C 1.487 176.794 175.328 -0.035 0.000 1.087 242 H CA 2.140 58.180 56.048 -0.013 0.000 1.319 242 H CB 0.271 30.029 29.762 -0.006 0.000 1.379 242 H HN 0.609 nan 8.280 nan 0.000 0.501 243 Q N -0.833 119.012 119.800 0.076 0.000 2.084 243 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 243 Q C 2.512 178.471 176.000 -0.068 0.000 0.978 243 Q CA 1.100 56.901 55.803 -0.003 0.000 0.844 243 Q CB -0.189 28.521 28.738 -0.048 0.000 0.898 243 Q HN 0.655 nan 8.270 nan 0.000 0.426 244 G N -0.116 108.630 108.800 -0.090 0.000 2.418 244 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 244 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 244 G C 1.455 176.310 174.900 -0.075 0.000 1.158 244 G CA 0.900 45.949 45.100 -0.084 0.000 0.771 244 G HN 0.229 nan 8.290 nan 0.000 0.545 245 V N 0.724 120.582 119.914 -0.093 0.000 2.343 245 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 245 V C 2.769 178.793 176.094 -0.117 0.000 1.051 245 V CA 2.241 64.477 62.300 -0.108 0.000 1.036 245 V CB -0.476 31.260 31.823 -0.146 0.000 0.654 245 V HN 0.533 nan 8.190 nan 0.000 0.451 246 Q N 0.307 120.020 119.800 -0.146 0.000 2.124 246 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 246 Q C 1.257 177.219 176.000 -0.064 0.000 0.977 246 Q CA 1.573 57.309 55.803 -0.111 0.000 0.850 246 Q CB -0.067 28.614 28.738 -0.095 0.000 0.901 246 Q HN 0.598 nan 8.270 nan 0.000 0.429 247 N N 0.766 119.432 118.700 -0.058 0.000 2.295 247 N HA 0.019 4.759 4.740 -0.000 0.000 0.221 247 N C 1.035 176.521 175.510 -0.040 0.000 1.129 247 N CA 0.008 53.032 53.050 -0.043 0.000 0.836 247 N CB 0.345 38.808 38.487 -0.040 0.000 1.040 247 N HN 0.273 nan 8.380 nan 0.000 0.494 248 I N 1.263 121.807 120.570 -0.043 0.000 2.226 248 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 248 I C 1.401 177.501 176.117 -0.028 0.000 1.100 248 I CA 1.611 62.889 61.300 -0.036 0.000 1.374 248 I CB 0.047 38.024 38.000 -0.038 0.000 1.057 248 I HN 0.011 nan 8.210 nan 0.000 0.413 249 D N -0.082 120.302 120.400 -0.027 0.000 2.097 249 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 249 D C 2.450 178.738 176.300 -0.021 0.000 0.989 249 D CA 1.842 55.828 54.000 -0.022 0.000 0.827 249 D CB -0.441 40.346 40.800 -0.022 0.000 0.966 249 D HN 0.515 nan 8.370 nan 0.000 0.456 250 S N 0.563 116.249 115.700 -0.022 0.000 2.382 250 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 250 S C 2.296 176.884 174.600 -0.019 0.000 1.027 250 S CA 0.527 58.715 58.200 -0.020 0.000 0.991 250 S CB -0.660 62.528 63.200 -0.020 0.000 0.823 250 S HN 0.232 nan 8.310 nan 0.000 0.469 251 I N 1.318 121.875 120.570 -0.021 0.000 2.226 251 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 251 I C 2.455 178.564 176.117 -0.014 0.000 1.100 251 I CA 1.261 62.550 61.300 -0.019 0.000 1.374 251 I CB -0.367 37.618 38.000 -0.025 0.000 1.057 251 I HN 0.278 nan 8.210 nan 0.000 0.413 252 I N 0.239 120.800 120.570 -0.015 0.000 2.226 252 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 252 I C 2.640 178.752 176.117 -0.009 0.000 1.100 252 I CA 1.116 62.409 61.300 -0.011 0.000 1.374 252 I CB -0.317 37.676 38.000 -0.013 0.000 1.057 252 I HN 0.244 nan 8.210 nan 0.000 0.413 253 E N 0.744 120.937 120.200 -0.011 0.000 2.038 253 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 253 E C 2.081 178.677 176.600 -0.007 0.000 1.000 253 E CA 1.380 57.774 56.400 -0.011 0.000 0.803 253 E CB -0.141 29.550 29.700 -0.014 0.000 0.750 253 E HN 0.363 nan 8.360 nan 0.000 0.448 254 E N 0.851 121.047 120.200 -0.007 0.000 2.106 254 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 254 E C 1.334 177.935 176.600 0.002 0.000 0.984 254 E CA 0.429 56.828 56.400 -0.003 0.000 0.806 254 E CB -0.449 29.248 29.700 -0.005 0.000 0.750 254 E HN 0.200 nan 8.360 nan 0.000 0.458 255 S N 0.479 116.180 115.700 0.003 0.000 2.634 255 S HA 0.097 4.567 4.470 -0.000 0.000 0.261 255 S C 0.611 175.219 174.600 0.013 0.000 1.271 255 S CA -0.473 57.733 58.200 0.010 0.000 0.985 255 S CB 1.070 64.276 63.200 0.009 0.000 0.968 255 S HN -0.089 nan 8.310 nan 0.000 0.568 256 D N 0.224 120.637 120.400 0.022 0.000 2.369 256 D HA 0.329 4.969 4.640 -0.000 0.000 0.211 256 D C 0.758 177.074 176.300 0.027 0.000 1.077 256 D CA 0.679 54.694 54.000 0.025 0.000 0.842 256 D CB 0.591 41.410 40.800 0.032 0.000 0.947 256 D HN 0.785 nan 8.370 nan 0.000 0.509 257 G N 0.263 109.077 108.800 0.023 0.000 2.316 257 G HA2 0.345 4.305 3.960 -0.000 0.000 0.296 257 G HA3 0.345 4.305 3.960 -0.000 0.000 0.296 257 G C -1.948 172.953 174.900 0.002 0.000 1.399 257 G CA -0.687 44.422 45.100 0.015 0.000 0.833 257 G HN -0.071 nan 8.290 nan 0.000 0.565 258 I N 0.561 121.120 120.570 -0.018 0.000 2.647 258 I HA 0.559 4.729 4.170 -0.000 0.000 0.295 258 I C -0.264 175.807 176.117 -0.077 0.000 1.078 258 I CA -0.752 60.526 61.300 -0.036 0.000 1.048 258 I CB 2.004 39.988 38.000 -0.026 0.000 1.239 258 I HN 0.605 nan 8.210 nan 0.000 0.421 259 M N 5.218 124.757 119.600 -0.101 0.000 2.294 259 M HA 0.421 4.901 4.480 -0.000 0.000 0.335 259 M C -1.189 175.067 176.300 -0.074 0.000 1.079 259 M CA -0.790 54.429 55.300 -0.136 0.000 0.982 259 M CB 1.765 34.219 32.600 -0.242 0.000 1.651 259 M HN 0.244 nan 8.290 nan 0.000 0.437 260 V N 4.892 124.771 119.914 -0.059 0.000 2.313 260 V HA 0.252 4.372 4.120 -0.000 0.000 0.252 260 V C 0.529 176.609 176.094 -0.023 0.000 1.112 260 V CA -0.464 61.818 62.300 -0.030 0.000 0.984 260 V CB 0.011 31.823 31.823 -0.019 0.000 1.157 260 V HN 0.871 nan 8.190 nan 0.000 0.493 261 A N 5.444 128.258 122.820 -0.011 0.000 2.922 261 A HA 0.332 4.652 4.320 -0.000 0.000 0.298 261 A C 1.475 179.073 177.584 0.023 0.000 1.588 261 A CA -0.330 51.710 52.037 0.004 0.000 1.288 261 A CB -0.306 18.708 19.000 0.023 0.000 1.130 261 A HN 0.837 nan 8.150 nan 0.000 0.557 262 R N 1.553 122.063 120.500 0.017 0.000 2.092 262 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 262 R C 2.298 178.618 176.300 0.034 0.000 1.119 262 R CA 1.441 57.555 56.100 0.024 0.000 0.970 262 R CB -0.096 30.215 30.300 0.017 0.000 0.864 262 R HN 0.690 nan 8.270 nan 0.000 0.440 263 G N 1.350 110.171 108.800 0.036 0.000 2.433 263 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 263 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 263 G C 0.974 175.904 174.900 0.051 0.000 1.186 263 G CA 0.952 46.077 45.100 0.042 0.000 0.779 263 G HN 0.218 nan 8.290 nan 0.000 0.543 264 D N 0.242 120.675 120.400 0.056 0.000 2.117 264 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 264 D C 2.478 178.830 176.300 0.087 0.000 0.987 264 D CA 0.353 54.394 54.000 0.068 0.000 0.829 264 D CB -0.091 40.750 40.800 0.069 0.000 0.961 264 D HN 0.202 nan 8.370 nan 0.000 0.460 265 L N 0.951 122.222 121.223 0.079 0.000 2.083 265 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 265 L C 2.416 179.330 176.870 0.074 0.000 1.083 265 L CA 1.399 56.285 54.840 0.077 0.000 0.752 265 L CB -0.545 41.546 42.059 0.053 0.000 0.899 265 L HN 0.048 nan 8.230 nan 0.000 0.433 266 G N -0.868 107.970 108.800 0.063 0.000 2.422 266 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 266 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 266 G C 1.489 176.435 174.900 0.077 0.000 1.146 266 G CA 1.019 46.155 45.100 0.059 0.000 0.769 266 G HN 0.336 nan 8.290 nan 0.000 0.547 267 V N 0.620 120.592 119.914 0.097 0.000 2.323 267 V HA -0.084 4.036 4.120 -0.000 0.000 0.244 267 V C 2.639 178.838 176.094 0.175 0.000 1.041 267 V CA 1.714 64.103 62.300 0.150 0.000 1.025 267 V CB -0.504 31.415 31.823 0.160 0.000 0.656 267 V HN 0.255 nan 8.190 nan 0.000 0.451 268 E N -0.080 120.200 120.200 0.133 0.000 2.110 268 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 268 E C 0.443 177.114 176.600 0.118 0.000 0.988 268 E CA 0.950 57.421 56.400 0.118 0.000 0.804 268 E CB 0.094 29.878 29.700 0.140 0.000 0.745 268 E HN 0.471 nan 8.360 nan 0.000 0.458 269 I N 0.486 121.125 120.570 0.115 0.000 2.689 269 I HA 0.205 4.375 4.170 -0.000 0.000 0.299 269 I C -2.508 173.664 176.117 0.092 0.000 1.059 269 I CA -2.825 58.542 61.300 0.112 0.000 1.055 269 I CB 2.253 40.309 38.000 0.093 0.000 1.243 269 I HN -0.268 nan 8.210 nan 0.000 0.425 270 P HA 0.146 nan 4.420 nan 0.000 0.271 270 P C -0.098 177.231 177.300 0.048 0.000 1.216 270 P CA -0.172 62.965 63.100 0.063 0.000 0.776 270 P CB 0.884 32.616 31.700 0.053 0.000 0.881 271 A N 3.954 126.797 122.820 0.038 0.000 1.902 271 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 271 A C 1.838 179.436 177.584 0.023 0.000 1.181 271 A CA 1.466 53.521 52.037 0.030 0.000 0.623 271 A CB -1.065 17.948 19.000 0.022 0.000 0.818 271 A HN 0.667 nan 8.150 nan 0.000 0.443 272 E N 0.465 120.677 120.200 0.020 0.000 2.333 272 E HA -0.210 4.140 4.350 -0.000 0.000 0.198 272 E C 1.533 178.143 176.600 0.017 0.000 1.007 272 E CA 1.515 57.924 56.400 0.016 0.000 0.845 272 E CB -0.268 29.440 29.700 0.013 0.000 0.766 272 E HN 0.612 nan 8.360 nan 0.000 0.507 273 K N 0.454 120.867 120.400 0.021 0.000 2.243 273 K HA 0.050 4.370 4.320 -0.000 0.000 0.201 273 K C 2.097 178.706 176.600 0.014 0.000 1.051 273 K CA 0.592 56.890 56.287 0.019 0.000 0.970 273 K CB 0.230 32.745 32.500 0.026 0.000 0.755 273 K HN -0.057 nan 8.250 nan 0.000 0.465 274 V N 0.803 120.729 119.914 0.019 0.000 2.453 274 V HA -0.259 3.861 4.120 -0.000 0.000 0.252 274 V C 2.056 178.157 176.094 0.012 0.000 1.068 274 V CA 1.510 63.820 62.300 0.017 0.000 1.070 274 V CB -0.432 31.403 31.823 0.021 0.000 0.664 274 V HN 0.093 nan 8.190 nan 0.000 0.461 275 V N -0.301 119.621 119.914 0.013 0.000 2.295 275 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 275 V C 2.402 178.501 176.094 0.008 0.000 1.049 275 V CA 1.973 64.280 62.300 0.012 0.000 1.024 275 V CB -0.498 31.333 31.823 0.013 0.000 0.648 275 V HN 0.436 nan 8.190 nan 0.000 0.447 276 V N 0.443 120.359 119.914 0.005 0.000 2.343 276 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 276 V C 2.723 178.813 176.094 -0.005 0.000 1.051 276 V CA 1.953 64.252 62.300 -0.001 0.000 1.036 276 V CB -1.233 30.588 31.823 -0.003 0.000 0.654 276 V HN 0.551 nan 8.190 nan 0.000 0.451 277 A N -0.791 122.025 122.820 -0.006 0.000 1.933 277 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 277 A C 2.264 179.845 177.584 -0.006 0.000 1.175 277 A CA 2.136 54.166 52.037 -0.012 0.000 0.628 277 A CB -0.529 18.463 19.000 -0.013 0.000 0.814 277 A HN 0.599 nan 8.150 nan 0.000 0.444 278 Q N -0.272 119.528 119.800 0.001 0.000 2.050 278 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 278 Q C 2.025 178.031 176.000 0.009 0.000 0.980 278 Q CA 1.926 57.733 55.803 0.006 0.000 0.840 278 Q CB -0.120 28.625 28.738 0.011 0.000 0.898 278 Q HN 0.684 nan 8.270 nan 0.000 0.424 279 K N -0.015 120.391 120.400 0.009 0.000 2.026 279 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 279 K C 2.059 178.660 176.600 0.001 0.000 1.048 279 K CA 1.469 57.760 56.287 0.008 0.000 0.929 279 K CB -0.122 32.380 32.500 0.002 0.000 0.713 279 K HN 0.245 nan 8.250 nan 0.000 0.439 280 I N 0.653 121.220 120.570 -0.005 0.000 2.202 280 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 280 I C 1.944 178.057 176.117 -0.007 0.000 1.091 280 I CA 0.933 62.227 61.300 -0.010 0.000 1.368 280 I CB -0.148 37.842 38.000 -0.017 0.000 1.058 280 I HN 0.038 nan 8.210 nan 0.000 0.410 281 L N 0.150 121.368 121.223 -0.007 0.000 2.093 281 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 281 L C 2.315 179.186 176.870 0.002 0.000 1.085 281 L CA 1.763 56.598 54.840 -0.007 0.000 0.755 281 L CB -0.580 41.472 42.059 -0.012 0.000 0.904 281 L HN 0.174 nan 8.230 nan 0.000 0.435 282 I N -1.601 118.977 120.570 0.012 0.000 2.252 282 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 282 I C 2.413 178.555 176.117 0.043 0.000 1.102 282 I CA 1.090 62.407 61.300 0.029 0.000 1.385 282 I CB -0.287 37.740 38.000 0.044 0.000 1.064 282 I HN 0.177 nan 8.210 nan 0.000 0.414 283 S N 0.525 116.245 115.700 0.034 0.000 2.368 283 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 283 S C 1.963 176.577 174.600 0.023 0.000 1.030 283 S CA 1.274 59.494 58.200 0.035 0.000 0.999 283 S CB -0.136 63.068 63.200 0.007 0.000 0.844 283 S HN 0.346 nan 8.310 nan 0.000 0.459 284 K N 0.216 120.621 120.400 0.008 0.000 2.097 284 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 284 K C 2.303 178.903 176.600 0.001 0.000 1.049 284 K CA 1.228 57.515 56.287 0.000 0.000 0.933 284 K CB -0.312 32.183 32.500 -0.007 0.000 0.717 284 K HN 0.354 nan 8.250 nan 0.000 0.442 285 C N 0.878 120.180 119.300 0.005 0.000 2.446 285 C HA -0.068 4.392 4.460 -0.000 0.000 0.277 285 C C 2.181 177.172 174.990 0.002 0.000 1.275 285 C CA 0.779 59.798 59.018 0.002 0.000 1.727 285 C CB -1.208 26.533 27.740 0.002 0.000 2.010 285 C HN 0.544 nan 8.230 nan 0.000 0.486 286 N N 0.519 119.232 118.700 0.021 0.000 2.120 286 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 286 N C 1.574 177.076 175.510 -0.013 0.000 1.024 286 N CA 1.202 54.266 53.050 0.022 0.000 0.852 286 N CB -0.128 38.431 38.487 0.120 0.000 1.003 286 N HN 0.280 nan 8.380 nan 0.000 0.424 287 V N 1.271 121.185 119.914 0.001 0.000 2.358 287 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 287 V C 2.176 178.252 176.094 -0.029 0.000 1.047 287 V CA 1.783 64.073 62.300 -0.018 0.000 1.035 287 V CB -0.679 31.142 31.823 -0.003 0.000 0.658 287 V HN 0.361 nan 8.190 nan 0.000 0.452 288 A N -0.415 122.394 122.820 -0.018 0.000 2.168 288 A HA 0.279 4.599 4.320 -0.000 0.000 0.215 288 A C 1.926 179.498 177.584 -0.020 0.000 1.152 288 A CA 1.010 53.038 52.037 -0.015 0.000 0.716 288 A CB -0.771 18.224 19.000 -0.009 0.000 0.794 288 A HN 1.286 nan 8.150 nan 0.000 0.465 289 G N -0.468 108.308 108.800 -0.040 0.000 2.273 289 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 289 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 289 G C -0.044 174.846 174.900 -0.016 0.000 1.047 289 G CA 0.783 45.858 45.100 -0.041 0.000 0.869 289 G HN 0.626 nan 8.290 nan 0.000 0.502 290 K N 0.329 120.722 120.400 -0.012 0.000 2.318 290 K HA 0.524 4.844 4.320 -0.000 0.000 0.249 290 K C -2.560 174.040 176.600 -0.001 0.000 0.942 290 K CA -2.252 54.034 56.287 -0.001 0.000 0.808 290 K CB 2.748 35.249 32.500 0.002 0.000 1.189 290 K HN -0.034 nan 8.250 nan 0.000 0.428 291 P HA 0.012 nan 4.420 nan 0.000 0.268 291 P C -0.911 176.388 177.300 -0.001 0.000 1.204 291 P CA -0.257 62.847 63.100 0.007 0.000 0.768 291 P CB 0.866 32.580 31.700 0.023 0.000 0.842 292 V N 4.981 124.891 119.914 -0.006 0.000 2.709 292 V HA 0.512 4.632 4.120 -0.000 0.000 0.308 292 V C -0.716 175.362 176.094 -0.026 0.000 1.062 292 V CA -0.957 61.333 62.300 -0.017 0.000 0.901 292 V CB 1.578 33.398 31.823 -0.005 0.000 1.003 292 V HN 0.295 nan 8.190 nan 0.000 0.425 293 I N 6.190 126.726 120.570 -0.056 0.000 2.433 293 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 293 I C -0.323 175.758 176.117 -0.061 0.000 1.001 293 I CA -0.389 60.869 61.300 -0.071 0.000 1.119 293 I CB 1.714 39.626 38.000 -0.146 0.000 1.289 293 I HN 0.622 nan 8.210 nan 0.000 0.438 294 C N 6.318 125.596 119.300 -0.037 0.000 2.285 294 C HA 0.865 5.325 4.460 -0.000 0.000 0.335 294 C C 0.394 175.368 174.990 -0.027 0.000 1.267 294 C CA -0.123 58.880 59.018 -0.026 0.000 1.762 294 C CB -0.642 27.091 27.740 -0.011 0.000 2.365 294 C HN 0.859 nan 8.230 nan 0.000 0.527 295 A N 4.817 127.622 122.820 -0.026 0.000 2.401 295 A HA 0.920 5.240 4.320 -0.000 0.000 0.310 295 A C -0.170 177.413 177.584 -0.001 0.000 1.075 295 A CA -0.141 51.885 52.037 -0.019 0.000 0.746 295 A CB 1.032 20.011 19.000 -0.036 0.000 1.277 295 A HN 1.335 nan 8.150 nan 0.000 0.425 296 T N 1.337 115.896 114.554 0.007 0.000 0.554 296 T HA -0.086 4.264 4.350 -0.000 0.000 0.772 296 T C 0.104 174.812 174.700 0.012 0.000 0.992 296 T CA 0.487 62.597 62.100 0.016 0.000 4.069 296 T CB -1.131 67.750 68.868 0.023 0.000 2.299 296 T HN 1.486 nan 8.240 nan 0.000 0.397 297 Q N 0.095 119.901 119.800 0.011 0.000 2.452 297 Q HA -0.271 4.069 4.340 -0.000 0.000 0.248 297 Q C 1.555 177.555 176.000 -0.000 0.000 0.874 297 Q CA 1.516 57.324 55.803 0.008 0.000 1.208 297 Q CB -1.076 27.671 28.738 0.016 0.000 1.569 297 Q HN 0.817 nan 8.270 nan 0.000 0.579 298 M N -0.490 119.109 119.600 -0.003 0.000 2.117 298 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 298 M C 1.063 177.352 176.300 -0.018 0.000 1.065 298 M CA 1.519 56.815 55.300 -0.007 0.000 1.114 298 M CB 0.168 32.765 32.600 -0.005 0.000 1.361 298 M HN 0.235 nan 8.290 nan 0.000 0.408 299 L N -0.388 120.819 121.223 -0.027 0.000 2.913 299 L HA 0.158 4.498 4.340 -0.000 0.000 0.283 299 L C 1.029 177.860 176.870 -0.064 0.000 1.336 299 L CA -0.332 54.478 54.840 -0.050 0.000 0.815 299 L CB 0.464 42.491 42.059 -0.053 0.000 1.188 299 L HN 0.085 nan 8.230 nan 0.000 0.551 300 E N 0.941 121.114 120.200 -0.045 0.000 2.118 300 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 300 E C 2.088 178.636 176.600 -0.087 0.000 0.992 300 E CA 2.002 58.372 56.400 -0.051 0.000 0.804 300 E CB 0.278 29.983 29.700 0.008 0.000 0.741 300 E HN 0.538 nan 8.360 nan 0.000 0.458 301 S N -0.543 115.144 115.700 -0.021 0.000 2.474 301 S HA -0.083 4.387 4.470 -0.000 0.000 0.235 301 S C 1.821 176.396 174.600 -0.042 0.000 0.997 301 S CA 0.812 59.047 58.200 0.059 0.000 0.949 301 S CB -0.178 63.065 63.200 0.071 0.000 0.766 301 S HN 0.285 nan 8.310 nan 0.000 0.517 302 M N 1.473 120.997 119.600 -0.127 0.000 2.618 302 M HA 0.051 4.531 4.480 -0.000 0.000 0.240 302 M C 1.384 177.608 176.300 -0.126 0.000 1.123 302 M CA 0.516 55.750 55.300 -0.111 0.000 1.060 302 M CB -0.476 32.050 32.600 -0.124 0.000 1.535 302 M HN 0.381 nan 8.290 nan 0.000 0.507 303 T N -0.272 114.038 114.554 -0.408 0.000 2.833 303 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 303 T C 0.840 175.213 174.700 -0.545 0.000 1.054 303 T CA 1.409 63.138 62.100 -0.619 0.000 1.135 303 T CB -0.161 68.070 68.868 -1.061 0.000 0.869 303 T HN 0.520 nan 8.240 nan 0.000 0.466 304 Y N 0.040 120.414 120.300 0.123 0.000 2.432 304 Y HA 0.448 4.998 4.550 -0.000 0.000 0.252 304 Y C 0.621 176.685 175.900 0.272 0.000 1.097 304 Y CA -1.220 56.971 58.100 0.151 0.000 1.250 304 Y CB -0.114 38.389 38.460 0.072 0.000 1.245 304 Y HN 0.082 nan 8.280 nan 0.000 0.522 305 N N 2.618 121.486 118.700 0.281 0.000 2.292 305 N HA 0.217 4.957 4.740 -0.000 0.000 0.303 305 N C -2.261 173.039 175.510 -0.350 0.000 1.140 305 N CA -2.042 51.055 53.050 0.079 0.000 0.788 305 N CB 2.100 40.606 38.487 0.032 0.000 1.361 305 N HN -0.247 nan 8.380 nan 0.000 0.489 306 P HA -0.070 nan 4.420 nan 0.000 0.221 306 P C -0.246 176.821 177.300 -0.387 0.000 1.150 306 P CA 1.257 63.861 63.100 -0.827 0.000 0.800 306 P CB 0.559 31.938 31.700 -0.536 0.000 0.787 307 R N -0.221 120.107 120.500 -0.286 0.000 2.744 307 R HA 0.485 4.825 4.340 -0.000 0.000 0.279 307 R C -2.541 173.573 176.300 -0.311 0.000 0.977 307 R CA -2.208 53.710 56.100 -0.304 0.000 0.906 307 R CB 2.062 32.272 30.300 -0.149 0.000 1.197 307 R HN -0.020 nan 8.270 nan 0.000 0.463 308 P HA 0.077 nan 4.420 nan 0.000 0.278 308 P C -0.497 176.704 177.300 -0.166 0.000 1.258 308 P CA -0.453 62.468 63.100 -0.299 0.000 0.811 308 P CB 0.917 32.379 31.700 -0.397 0.000 1.063 309 T N -0.504 113.990 114.554 -0.100 0.000 2.813 309 T HA 0.155 4.505 4.350 -0.000 0.000 0.297 309 T C 1.505 176.178 174.700 -0.044 0.000 1.036 309 T CA -0.531 61.536 62.100 -0.055 0.000 1.044 309 T CB 0.434 69.285 68.868 -0.028 0.000 0.993 309 T HN 0.185 nan 8.240 nan 0.000 0.535 310 R N 1.500 121.986 120.500 -0.023 0.000 2.081 310 R HA -0.003 4.337 4.340 -0.000 0.000 0.235 310 R C 2.722 179.020 176.300 -0.004 0.000 1.131 310 R CA 1.590 57.685 56.100 -0.009 0.000 0.960 310 R CB -1.855 28.444 30.300 -0.001 0.000 0.856 310 R HN 0.867 nan 8.270 nan 0.000 0.436 311 A N 1.339 124.156 122.820 -0.005 0.000 1.933 311 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 311 A C 2.079 179.660 177.584 -0.004 0.000 1.175 311 A CA 1.490 53.527 52.037 -0.000 0.000 0.628 311 A CB -0.320 18.681 19.000 0.000 0.000 0.814 311 A HN 0.380 nan 8.150 nan 0.000 0.444 312 E N -0.542 119.648 120.200 -0.017 0.000 2.047 312 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 312 E C 1.986 178.573 176.600 -0.021 0.000 0.987 312 E CA 1.247 57.632 56.400 -0.025 0.000 0.799 312 E CB -0.236 29.436 29.700 -0.047 0.000 0.752 312 E HN 0.365 nan 8.360 nan 0.000 0.449 313 V N 0.914 120.816 119.914 -0.020 0.000 2.343 313 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 313 V C 2.458 178.555 176.094 0.005 0.000 1.051 313 V CA 1.972 64.273 62.300 0.002 0.000 1.036 313 V CB -0.533 31.303 31.823 0.022 0.000 0.654 313 V HN 0.322 nan 8.190 nan 0.000 0.451 314 S N -0.076 115.631 115.700 0.012 0.000 2.383 314 S HA -0.289 4.181 4.470 -0.000 0.000 0.229 314 S C 1.868 176.476 174.600 0.014 0.000 1.030 314 S CA 2.186 60.401 58.200 0.025 0.000 1.002 314 S CB -0.493 62.728 63.200 0.035 0.000 0.829 314 S HN 0.698 nan 8.310 nan 0.000 0.467 315 D N 0.379 120.782 120.400 0.005 0.000 2.097 315 D HA -0.084 4.556 4.640 -0.000 0.000 0.195 315 D C 1.901 178.189 176.300 -0.021 0.000 0.989 315 D CA 1.517 55.517 54.000 -0.000 0.000 0.827 315 D CB -0.331 40.469 40.800 -0.000 0.000 0.966 315 D HN 0.330 nan 8.370 nan 0.000 0.456 316 V N 0.736 120.632 119.914 -0.030 0.000 2.343 316 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 316 V C 2.574 178.602 176.094 -0.110 0.000 1.051 316 V CA 1.725 63.996 62.300 -0.047 0.000 1.036 316 V CB -0.989 30.818 31.823 -0.026 0.000 0.654 316 V HN 0.323 nan 8.190 nan 0.000 0.451 317 A N 0.546 123.278 122.820 -0.147 0.000 1.877 317 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 317 A C 2.101 179.374 177.584 -0.519 0.000 1.186 317 A CA 1.964 53.792 52.037 -0.349 0.000 0.620 317 A CB -0.674 18.173 19.000 -0.254 0.000 0.822 317 A HN 0.590 nan 8.150 nan 0.000 0.443 318 N N 0.423 119.032 118.700 -0.152 0.000 2.223 318 N HA -0.114 4.626 4.740 -0.000 0.000 0.185 318 N C 1.880 177.408 175.510 0.030 0.000 1.016 318 N CA 1.360 54.446 53.050 0.060 0.000 0.863 318 N CB -0.443 38.124 38.487 0.134 0.000 0.983 318 N HN 0.494 nan 8.380 nan 0.000 0.429 319 A N 0.926 123.729 122.820 -0.028 0.000 1.933 319 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 319 A C 2.526 180.110 177.584 -0.001 0.000 1.175 319 A CA 1.185 53.219 52.037 -0.004 0.000 0.628 319 A CB -0.668 18.323 19.000 -0.015 0.000 0.814 319 A HN 0.102 nan 8.150 nan 0.000 0.444 320 V N -0.974 118.891 119.914 -0.082 0.000 2.343 320 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 320 V C 2.310 178.454 176.094 0.082 0.000 1.051 320 V CA 1.904 64.167 62.300 -0.061 0.000 1.036 320 V CB -1.065 30.646 31.823 -0.185 0.000 0.654 320 V HN 0.529 nan 8.190 nan 0.000 0.451 321 F N 0.910 120.912 119.950 0.085 0.000 2.171 321 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 321 F C 2.232 178.077 175.800 0.075 0.000 1.090 321 F CA 1.066 59.116 58.000 0.084 0.000 1.293 321 F CB -1.397 37.631 39.000 0.046 0.000 1.013 321 F HN 0.253 nan 8.300 nan 0.000 0.486 322 N N -0.720 118.120 118.700 0.234 0.000 2.289 322 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 322 N C 1.451 177.071 175.510 0.183 0.000 1.016 322 N CA 0.811 53.947 53.050 0.144 0.000 0.872 322 N CB -0.165 38.379 38.487 0.096 0.000 0.973 322 N HN 0.397 nan 8.380 nan 0.000 0.433 323 G N -0.149 108.810 108.800 0.264 0.000 2.154 323 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.186 323 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.186 323 G C -0.002 174.992 174.900 0.158 0.000 1.000 323 G CA -0.068 45.244 45.100 0.353 0.000 0.664 323 G HN 0.475 nan 8.290 nan 0.000 0.513 324 A N 0.060 122.937 122.820 0.095 0.000 2.477 324 A HA 0.563 4.883 4.320 -0.000 0.000 0.246 324 A C 1.085 178.681 177.584 0.019 0.000 1.078 324 A CA 1.045 53.108 52.037 0.042 0.000 0.770 324 A CB 0.218 19.233 19.000 0.024 0.000 1.011 324 A HN 0.293 nan 8.150 nan 0.000 0.494 325 D N 0.348 120.753 120.400 0.008 0.000 2.117 325 D HA -0.021 4.619 4.640 -0.000 0.000 0.197 325 D C 0.130 176.436 176.300 0.010 0.000 0.987 325 D CA 1.621 55.623 54.000 0.004 0.000 0.829 325 D CB -0.007 40.796 40.800 0.005 0.000 0.961 325 D HN 0.552 nan 8.370 nan 0.000 0.460 326 C N -0.038 119.266 119.300 0.006 0.000 2.712 326 C HA 0.689 5.149 4.460 -0.000 0.000 0.308 326 C C -0.192 174.798 174.990 -0.000 0.000 1.201 326 C CA -1.222 57.801 59.018 0.009 0.000 1.554 326 C CB 1.479 29.229 27.740 0.016 0.000 2.117 326 C HN 0.128 nan 8.230 nan 0.000 0.480 327 V N 0.689 120.607 119.914 0.006 0.000 2.919 327 V HA 0.834 4.954 4.120 -0.000 0.000 0.316 327 V C -0.575 175.528 176.094 0.014 0.000 1.077 327 V CA -0.691 61.610 62.300 0.002 0.000 0.977 327 V CB 1.774 33.597 31.823 -0.001 0.000 1.039 327 V HN 1.006 nan 8.190 nan 0.000 0.441 328 M N 2.860 122.467 119.600 0.012 0.000 2.518 328 M HA 0.744 5.224 4.480 -0.000 0.000 0.300 328 M C -2.121 174.197 176.300 0.030 0.000 1.175 328 M CA -0.626 54.690 55.300 0.027 0.000 0.890 328 M CB 2.246 34.854 32.600 0.013 0.000 1.710 328 M HN 0.744 nan 8.290 nan 0.000 0.453 329 L N 2.443 123.694 121.223 0.046 0.000 2.362 329 L HA 0.551 4.891 4.340 -0.000 0.000 0.275 329 L C -0.197 176.703 176.870 0.049 0.000 0.998 329 L CA -0.284 54.579 54.840 0.038 0.000 0.820 329 L CB 2.185 44.266 42.059 0.037 0.000 1.270 329 L HN 0.851 nan 8.230 nan 0.000 0.415 330 S N 1.063 116.783 115.700 0.035 0.000 3.026 330 S HA 0.152 4.622 4.470 -0.000 0.000 0.169 330 S C 1.571 176.184 174.600 0.023 0.000 0.680 330 S CA 0.470 58.697 58.200 0.044 0.000 0.826 330 S CB -0.094 63.133 63.200 0.046 0.000 0.779 330 S HN 0.866 nan 8.310 nan 0.000 0.664 331 G N 1.242 110.042 108.800 -0.000 0.000 2.422 331 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 331 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 331 G C 1.038 175.905 174.900 -0.054 0.000 1.140 331 G CA 0.880 45.963 45.100 -0.029 0.000 0.775 331 G HN 0.499 nan 8.290 nan 0.000 0.545 332 E N 0.248 120.413 120.200 -0.059 0.000 2.160 332 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 332 E C 2.715 179.298 176.600 -0.028 0.000 0.991 332 E CA 1.753 58.110 56.400 -0.072 0.000 0.810 332 E CB -0.231 29.437 29.700 -0.053 0.000 0.742 332 E HN 0.605 nan 8.360 nan 0.000 0.466 333 T N -2.844 111.710 114.554 -0.001 0.000 3.023 333 T HA 0.357 4.707 4.350 -0.000 0.000 0.249 333 T C 1.973 176.685 174.700 0.020 0.000 1.050 333 T CA 0.266 62.377 62.100 0.018 0.000 1.088 333 T CB 0.119 69.010 68.868 0.039 0.000 0.946 333 T HN 0.130 nan 8.240 nan 0.000 0.480 334 A N 3.318 126.148 122.820 0.016 0.000 1.873 334 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 334 A C 2.187 179.769 177.584 -0.004 0.000 1.186 334 A CA 1.548 53.596 52.037 0.018 0.000 0.616 334 A CB -0.341 18.664 19.000 0.007 0.000 0.823 334 A HN 0.724 nan 8.150 nan 0.000 0.442 335 K N -1.271 119.114 120.400 -0.026 0.000 2.477 335 K HA 0.307 4.627 4.320 -0.000 0.000 0.208 335 K C 0.682 177.259 176.600 -0.039 0.000 1.117 335 K CA 0.243 56.512 56.287 -0.031 0.000 1.039 335 K CB 0.153 32.632 32.500 -0.036 0.000 0.937 335 K HN 0.248 nan 8.250 nan 0.000 0.570 336 G N 1.506 110.272 108.800 -0.056 0.000 2.606 336 G HA2 0.072 4.032 3.960 -0.000 0.000 0.252 336 G HA3 0.072 4.032 3.960 -0.000 0.000 0.252 336 G C 0.170 175.011 174.900 -0.099 0.000 1.206 336 G CA -0.538 44.511 45.100 -0.086 0.000 0.861 336 G HN 0.064 nan 8.290 nan 0.000 0.561 337 K N -0.409 119.895 120.400 -0.160 0.000 2.097 337 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 337 K C -0.148 176.129 176.600 -0.539 0.000 1.050 337 K CA 1.222 57.268 56.287 -0.402 0.000 0.938 337 K CB -0.020 32.116 32.500 -0.607 0.000 0.718 337 K HN 0.577 nan 8.250 nan 0.000 0.442 338 Y N -0.475 119.815 120.300 -0.015 0.000 2.562 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.363 338 Y C -2.113 173.789 175.900 0.003 0.000 0.991 338 Y CA -2.167 55.934 58.100 0.002 0.000 1.121 338 Y CB 1.042 39.507 38.460 0.007 0.000 1.159 338 Y HN 0.035 nan 8.280 nan 0.000 0.651 339 P HA -0.132 nan 4.420 nan 0.000 0.215 339 P C 1.121 178.471 177.300 0.083 0.000 1.157 339 P CA 1.551 64.692 63.100 0.068 0.000 0.863 339 P CB 0.508 32.231 31.700 0.038 0.000 0.787 340 N N -0.136 118.616 118.700 0.087 0.000 2.120 340 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 340 N C 1.620 177.189 175.510 0.098 0.000 1.024 340 N CA 1.295 54.394 53.050 0.081 0.000 0.852 340 N CB -0.673 37.857 38.487 0.071 0.000 1.003 340 N HN 0.228 nan 8.380 nan 0.000 0.424 341 E N 0.697 120.978 120.200 0.134 0.000 2.110 341 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 341 E C 1.995 178.697 176.600 0.170 0.000 0.988 341 E CA 0.308 56.796 56.400 0.147 0.000 0.804 341 E CB -0.423 29.366 29.700 0.148 0.000 0.745 341 E HN 0.055 nan 8.360 nan 0.000 0.458 342 V N 0.008 120.004 119.914 0.135 0.000 2.343 342 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 342 V C 2.002 178.164 176.094 0.113 0.000 1.051 342 V CA 1.421 63.784 62.300 0.105 0.000 1.036 342 V CB -0.096 31.758 31.823 0.053 0.000 0.654 342 V HN 0.150 nan 8.190 nan 0.000 0.451 343 V N -0.326 119.643 119.914 0.091 0.000 2.343 343 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 343 V C 2.448 178.587 176.094 0.076 0.000 1.051 343 V CA 2.466 64.811 62.300 0.076 0.000 1.036 343 V CB -0.708 31.152 31.823 0.063 0.000 0.654 343 V HN 0.604 nan 8.190 nan 0.000 0.451 344 Q N -1.543 118.302 119.800 0.076 0.000 2.124 344 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 344 Q C 2.181 178.192 176.000 0.019 0.000 0.977 344 Q CA 2.031 57.855 55.803 0.035 0.000 0.850 344 Q CB -0.231 28.515 28.738 0.014 0.000 0.901 344 Q HN 0.707 nan 8.270 nan 0.000 0.429 345 Y N 0.126 120.425 120.300 -0.001 0.000 2.181 345 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 345 Y C 2.266 178.159 175.900 -0.012 0.000 1.146 345 Y CA 1.541 59.635 58.100 -0.010 0.000 1.164 345 Y CB -0.044 38.405 38.460 -0.019 0.000 0.982 345 Y HN 0.126 nan 8.280 nan 0.000 0.515 346 M N -1.023 118.676 119.600 0.164 0.000 2.117 346 M HA -0.198 4.282 4.480 -0.000 0.000 0.262 346 M C 2.286 178.613 176.300 0.044 0.000 1.065 346 M CA 1.848 57.201 55.300 0.087 0.000 1.114 346 M CB -0.146 32.490 32.600 0.061 0.000 1.361 346 M HN 0.276 nan 8.290 nan 0.000 0.408 347 A N 0.295 123.135 122.820 0.034 0.000 1.902 347 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 347 A C 2.138 179.717 177.584 -0.008 0.000 1.181 347 A CA 1.926 53.970 52.037 0.012 0.000 0.623 347 A CB -0.774 18.235 19.000 0.015 0.000 0.818 347 A HN 0.613 nan 8.150 nan 0.000 0.443 348 R N -0.216 120.270 120.500 -0.023 0.000 2.081 348 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 348 R C 1.893 178.177 176.300 -0.027 0.000 1.131 348 R CA 1.760 57.831 56.100 -0.048 0.000 0.960 348 R CB -0.407 29.819 30.300 -0.124 0.000 0.856 348 R HN 0.531 nan 8.270 nan 0.000 0.436 349 I N 0.193 120.764 120.570 0.001 0.000 2.286 349 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 349 I C 2.458 178.548 176.117 -0.044 0.000 1.115 349 I CA 0.919 62.218 61.300 -0.001 0.000 1.392 349 I CB -0.272 37.746 38.000 0.029 0.000 1.065 349 I HN 0.323 nan 8.210 nan 0.000 0.418 350 C N 0.099 119.373 119.300 -0.043 0.000 2.429 350 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 350 C C 2.682 177.631 174.990 -0.068 0.000 1.262 350 C CA 0.373 59.352 59.018 -0.066 0.000 1.733 350 C CB -0.827 26.888 27.740 -0.042 0.000 2.010 350 C HN 0.455 nan 8.230 nan 0.000 0.483 351 L N 1.282 122.474 121.223 -0.052 0.000 2.056 351 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 351 L C 2.474 179.322 176.870 -0.037 0.000 1.078 351 L CA 1.987 56.792 54.840 -0.057 0.000 0.749 351 L CB -1.087 40.946 42.059 -0.044 0.000 0.901 351 L HN 0.306 nan 8.230 nan 0.000 0.433 352 E N -0.348 119.840 120.200 -0.020 0.000 2.077 352 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 352 E C 2.141 178.760 176.600 0.033 0.000 0.989 352 E CA 1.499 57.905 56.400 0.010 0.000 0.800 352 E CB -0.283 29.425 29.700 0.013 0.000 0.746 352 E HN 0.436 nan 8.360 nan 0.000 0.452 353 A N 0.464 123.265 122.820 -0.030 0.000 1.972 353 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 353 A C 2.212 179.856 177.584 0.100 0.000 1.169 353 A CA 1.685 53.680 52.037 -0.070 0.000 0.635 353 A CB -0.644 18.063 19.000 -0.488 0.000 0.810 353 A HN 0.421 nan 8.150 nan 0.000 0.446 354 Q N -0.135 119.681 119.800 0.027 0.000 2.124 354 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 354 Q C 2.175 178.229 176.000 0.089 0.000 0.977 354 Q CA 1.702 57.530 55.803 0.041 0.000 0.850 354 Q CB -0.107 28.589 28.738 -0.069 0.000 0.901 354 Q HN 0.657 nan 8.270 nan 0.000 0.429 355 S N 0.364 116.115 115.700 0.085 0.000 2.368 355 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 355 S C 1.920 176.623 174.600 0.171 0.000 1.030 355 S CA 1.047 59.311 58.200 0.106 0.000 0.999 355 S CB -0.252 62.999 63.200 0.085 0.000 0.844 355 S HN 0.552 nan 8.310 nan 0.000 0.459 356 A N 0.581 123.541 122.820 0.232 0.000 2.121 356 A HA 0.165 4.485 4.320 -0.000 0.000 0.218 356 A C 0.879 178.667 177.584 0.340 0.000 1.154 356 A CA 0.335 52.540 52.037 0.281 0.000 0.679 356 A CB -0.395 18.804 19.000 0.333 0.000 0.795 356 A HN 0.383 nan 8.150 nan 0.000 0.458 357 L N 0.799 122.232 121.223 0.349 0.000 2.455 357 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 357 L C 0.075 177.091 176.870 0.244 0.000 1.174 357 L CA -0.014 55.020 54.840 0.324 0.000 0.869 357 L CB 0.196 42.452 42.059 0.328 0.000 1.130 357 L HN 0.224 nan 8.230 nan 0.000 0.474 358 N N 3.094 121.873 118.700 0.131 0.000 2.602 358 N HA 0.072 4.812 4.740 -0.000 0.000 0.238 358 N C 0.606 176.245 175.510 0.215 0.000 1.084 358 N CA 0.002 53.086 53.050 0.057 0.000 0.952 358 N CB 0.597 38.912 38.487 -0.286 0.000 1.244 358 N HN 0.657 nan 8.380 nan 0.000 0.512 359 E N 1.204 121.582 120.200 0.296 0.000 2.153 359 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 359 E C 0.842 177.667 176.600 0.375 0.000 0.988 359 E CA 1.106 57.724 56.400 0.364 0.000 0.811 359 E CB -0.064 29.858 29.700 0.370 0.000 0.746 359 E HN 0.605 nan 8.360 nan 0.000 0.466 360 Y N 0.352 120.725 120.300 0.123 0.000 2.163 360 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 360 Y C 2.061 177.959 175.900 -0.004 0.000 1.136 360 Y CA 1.109 59.117 58.100 -0.154 0.000 1.147 360 Y CB -0.283 38.032 38.460 -0.241 0.000 0.987 360 Y HN -0.140 nan 8.280 nan 0.000 0.509 361 V N -0.233 119.685 119.914 0.006 0.000 2.343 361 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 361 V C 2.236 178.307 176.094 -0.039 0.000 1.051 361 V CA 2.100 64.344 62.300 -0.094 0.000 1.036 361 V CB -0.900 30.870 31.823 -0.088 0.000 0.654 361 V HN 0.486 nan 8.190 nan 0.000 0.451 362 F N -0.506 119.417 119.950 -0.045 0.000 2.126 362 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 362 F C 2.216 178.038 175.800 0.035 0.000 1.096 362 F CA 1.909 59.911 58.000 0.003 0.000 1.255 362 F CB -0.176 38.863 39.000 0.064 0.000 0.997 362 F HN 0.273 nan 8.300 nan 0.000 0.479 363 F N 1.538 121.561 119.950 0.121 0.000 2.102 363 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 363 F C 2.163 177.959 175.800 -0.007 0.000 1.105 363 F CA 1.780 59.814 58.000 0.057 0.000 1.239 363 F CB -1.071 37.918 39.000 -0.018 0.000 0.991 363 F HN -0.119 nan 8.300 nan 0.000 0.474 364 N N 0.331 118.732 118.700 -0.499 0.000 2.166 364 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 364 N C 2.022 177.365 175.510 -0.280 0.000 1.019 364 N CA 1.576 54.293 53.050 -0.554 0.000 0.856 364 N CB -0.621 37.558 38.487 -0.514 0.000 0.993 364 N HN 0.302 nan 8.380 nan 0.000 0.426 365 S N 1.202 116.806 115.700 -0.159 0.000 2.368 365 S HA -0.004 4.466 4.470 -0.000 0.000 0.225 365 S C 2.139 176.706 174.600 -0.054 0.000 1.030 365 S CA 0.596 58.735 58.200 -0.101 0.000 0.999 365 S CB -0.150 62.988 63.200 -0.103 0.000 0.844 365 S HN 0.228 nan 8.310 nan 0.000 0.459 366 I N 1.522 122.095 120.570 0.006 0.000 2.226 366 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 366 I C 2.474 178.592 176.117 0.001 0.000 1.100 366 I CA 1.192 62.497 61.300 0.008 0.000 1.374 366 I CB -0.164 37.837 38.000 0.001 0.000 1.057 366 I HN 0.207 nan 8.210 nan 0.000 0.413 367 K N 1.116 121.518 120.400 0.004 0.000 2.057 367 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 367 K C 2.018 178.603 176.600 -0.025 0.000 1.049 367 K CA 1.315 57.625 56.287 0.038 0.000 0.931 367 K CB 0.070 32.435 32.500 -0.225 0.000 0.714 367 K HN 0.148 nan 8.250 nan 0.000 0.440 368 K N 0.486 120.840 120.400 -0.075 0.000 2.209 368 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 368 K C 1.933 178.515 176.600 -0.029 0.000 1.048 368 K CA 0.982 57.232 56.287 -0.061 0.000 0.940 368 K CB -0.087 32.368 32.500 -0.076 0.000 0.729 368 K HN 0.280 nan 8.250 nan 0.000 0.451 369 L N 1.304 122.519 121.223 -0.015 0.000 2.554 369 L HA -0.031 4.309 4.340 -0.000 0.000 0.226 369 L C 0.591 177.478 176.870 0.028 0.000 1.137 369 L CA 0.178 55.019 54.840 0.001 0.000 0.863 369 L CB -0.036 42.020 42.059 -0.006 0.000 0.985 369 L HN 0.066 nan 8.230 nan 0.000 0.451 370 Q N -0.132 119.695 119.800 0.045 0.000 2.293 370 Q HA 0.099 4.439 4.340 -0.000 0.000 0.251 370 Q C -0.409 175.640 176.000 0.081 0.000 0.930 370 Q CA -0.209 55.643 55.803 0.081 0.000 0.893 370 Q CB 0.787 29.595 28.738 0.117 0.000 1.215 370 Q HN 0.167 nan 8.270 nan 0.000 0.425 371 H N 1.452 120.529 119.070 0.011 0.000 2.848 371 H HA 0.207 4.763 4.556 -0.000 0.000 0.341 371 H C -0.931 174.399 175.328 0.003 0.000 1.060 371 H CA 0.025 56.075 56.048 0.003 0.000 1.444 371 H CB 0.349 30.112 29.762 0.000 0.000 1.446 371 H HN 0.307 nan 8.280 nan 0.000 0.583 372 I N 7.790 127.979 120.570 -0.636 0.000 2.436 372 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 372 I C -1.829 173.945 176.117 -0.573 0.000 1.010 372 I CA -2.742 58.286 61.300 -0.453 0.000 1.098 372 I CB 1.183 39.053 38.000 -0.216 0.000 1.266 372 I HN 0.752 nan 8.210 nan 0.000 0.434 373 P HA 0.489 nan 4.420 nan 0.000 0.297 373 P C -0.290 176.964 177.300 -0.078 0.000 1.303 373 P CA -0.280 62.721 63.100 -0.165 0.000 0.753 373 P CB 1.196 32.857 31.700 -0.065 0.000 1.281 374 M N -1.368 118.241 119.600 0.016 0.000 2.599 374 M HA 0.230 4.710 4.480 -0.000 0.000 0.173 374 M C 0.210 176.535 176.300 0.041 0.000 2.093 374 M CA -0.120 55.236 55.300 0.094 0.000 1.278 374 M CB -0.040 32.612 32.600 0.086 0.000 1.354 374 M HN 0.441 nan 8.290 nan 0.000 0.619 375 S N -0.206 115.498 115.700 0.007 0.000 2.535 375 S HA 0.724 5.194 4.470 -0.000 0.000 0.272 375 S C 0.131 174.700 174.600 -0.053 0.000 1.149 375 S CA -0.288 57.886 58.200 -0.044 0.000 0.888 375 S CB 1.760 64.924 63.200 -0.060 0.000 1.110 375 S HN 0.493 nan 8.310 nan 0.000 0.463 376 A N 2.373 125.138 122.820 -0.091 0.000 1.892 376 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 376 A C 1.870 179.463 177.584 0.014 0.000 1.188 376 A CA 2.331 54.347 52.037 -0.035 0.000 0.631 376 A CB -1.257 17.736 19.000 -0.010 0.000 0.822 376 A HN 1.022 nan 8.150 nan 0.000 0.447 377 D N -0.256 120.137 120.400 -0.010 0.000 2.144 377 D HA -0.220 4.420 4.640 -0.000 0.000 0.199 377 D C 1.711 178.038 176.300 0.045 0.000 0.984 377 D CA 1.504 55.553 54.000 0.083 0.000 0.834 377 D CB -0.772 40.106 40.800 0.131 0.000 0.955 377 D HN 0.691 nan 8.370 nan 0.000 0.465 378 E N 0.915 121.131 120.200 0.026 0.000 2.077 378 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 378 E C 2.143 178.730 176.600 -0.022 0.000 0.989 378 E CA 1.264 57.693 56.400 0.049 0.000 0.800 378 E CB -0.174 29.577 29.700 0.085 0.000 0.746 378 E HN 0.292 nan 8.360 nan 0.000 0.452 379 A N 0.236 123.039 122.820 -0.028 0.000 1.933 379 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 379 A C 2.402 179.945 177.584 -0.068 0.000 1.175 379 A CA 1.351 53.353 52.037 -0.058 0.000 0.628 379 A CB -0.627 18.353 19.000 -0.034 0.000 0.814 379 A HN 0.236 nan 8.150 nan 0.000 0.444 380 V N -0.813 119.080 119.914 -0.034 0.000 2.295 380 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 380 V C 2.667 178.725 176.094 -0.059 0.000 1.049 380 V CA 2.155 64.435 62.300 -0.034 0.000 1.024 380 V CB -0.879 30.944 31.823 -0.000 0.000 0.648 380 V HN 0.732 nan 8.190 nan 0.000 0.447 381 C N -0.459 118.807 119.300 -0.057 0.000 2.446 381 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 381 C C 3.282 178.158 174.990 -0.189 0.000 1.275 381 C CA 1.427 60.405 59.018 -0.067 0.000 1.727 381 C CB -0.980 26.778 27.740 0.029 0.000 2.010 381 C HN 0.705 nan 8.230 nan 0.000 0.486 382 S N 1.593 117.044 115.700 -0.415 0.000 2.356 382 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 382 S C 2.084 176.624 174.600 -0.101 0.000 1.032 382 S CA 2.439 60.299 58.200 -0.567 0.000 1.005 382 S CB -0.665 62.065 63.200 -0.784 0.000 0.867 382 S HN 0.723 nan 8.310 nan 0.000 0.449 383 S N 1.676 117.329 115.700 -0.078 0.000 2.399 383 S HA 0.083 4.553 4.470 -0.000 0.000 0.231 383 S C 2.115 176.704 174.600 -0.018 0.000 1.022 383 S CA 1.204 59.402 58.200 -0.003 0.000 0.983 383 S CB -0.989 62.199 63.200 -0.021 0.000 0.803 383 S HN 0.828 nan 8.310 nan 0.000 0.480 384 A N 1.249 124.032 122.820 -0.061 0.000 1.933 384 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 384 A C 2.407 179.935 177.584 -0.094 0.000 1.175 384 A CA 1.630 53.623 52.037 -0.073 0.000 0.628 384 A CB -1.083 17.870 19.000 -0.077 0.000 0.814 384 A HN 0.500 nan 8.150 nan 0.000 0.444 385 V N 1.227 121.063 119.914 -0.131 0.000 2.407 385 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 385 V C 2.474 178.430 176.094 -0.230 0.000 1.055 385 V CA 2.067 64.218 62.300 -0.248 0.000 1.049 385 V CB -0.990 30.610 31.823 -0.371 0.000 0.662 385 V HN 0.787 nan 8.190 nan 0.000 0.455 386 N N 0.015 118.672 118.700 -0.072 0.000 2.166 386 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 386 N C 1.944 177.534 175.510 0.133 0.000 1.019 386 N CA 1.712 54.876 53.050 0.190 0.000 0.856 386 N CB 0.037 38.726 38.487 0.338 0.000 0.993 386 N HN 0.426 nan 8.380 nan 0.000 0.426 387 S N 0.052 115.769 115.700 0.029 0.000 2.382 387 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 387 S C 2.063 176.637 174.600 -0.042 0.000 1.027 387 S CA 0.766 58.956 58.200 -0.017 0.000 0.991 387 S CB -0.108 63.056 63.200 -0.061 0.000 0.823 387 S HN 0.197 nan 8.310 nan 0.000 0.469 388 V N 0.388 120.247 119.914 -0.091 0.000 2.295 388 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 388 V C 1.883 177.890 176.094 -0.145 0.000 1.049 388 V CA 1.673 63.877 62.300 -0.160 0.000 1.024 388 V CB -0.835 30.813 31.823 -0.292 0.000 0.648 388 V HN 0.490 nan 8.190 nan 0.000 0.447 389 Y N 0.596 120.886 120.300 -0.018 0.000 2.181 389 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 389 Y C 2.577 178.492 175.900 0.026 0.000 1.146 389 Y CA 1.692 59.813 58.100 0.035 0.000 1.164 389 Y CB -0.366 38.189 38.460 0.158 0.000 0.982 389 Y HN 0.301 nan 8.280 nan 0.000 0.515 390 E N -0.759 119.542 120.200 0.169 0.000 2.110 390 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 390 E C 1.986 178.616 176.600 0.050 0.000 0.988 390 E CA 1.831 58.288 56.400 0.095 0.000 0.804 390 E CB -0.118 29.626 29.700 0.072 0.000 0.745 390 E HN 0.539 nan 8.360 nan 0.000 0.458 391 T N -2.280 112.288 114.554 0.022 0.000 3.081 391 T HA 0.139 4.489 4.350 -0.000 0.000 0.250 391 T C 0.562 175.348 174.700 0.142 0.000 1.100 391 T CA -0.096 62.032 62.100 0.046 0.000 1.038 391 T CB 0.041 68.846 68.868 -0.105 0.000 0.962 391 T HN -0.003 nan 8.240 nan 0.000 0.516 392 K N 0.950 121.397 120.400 0.079 0.000 3.096 392 K HA -0.108 4.212 4.320 -0.000 0.000 0.266 392 K C 0.176 176.817 176.600 0.068 0.000 1.043 392 K CA 0.037 56.359 56.287 0.059 0.000 0.758 392 K CB -2.039 30.502 32.500 0.067 0.000 1.260 392 K HN 0.727 nan 8.250 nan 0.000 0.481 393 A N 1.168 124.019 122.820 0.052 0.000 2.477 393 A HA 0.067 4.387 4.320 -0.000 0.000 0.246 393 A C 1.025 178.600 177.584 -0.014 0.000 1.078 393 A CA 0.127 52.202 52.037 0.063 0.000 0.770 393 A CB 0.325 19.345 19.000 0.034 0.000 1.011 393 A HN 0.333 nan 8.150 nan 0.000 0.494 394 K N 0.791 121.193 120.400 0.003 0.000 2.374 394 K HA 0.381 4.701 4.320 -0.000 0.000 0.196 394 K C 0.297 176.859 176.600 -0.063 0.000 1.023 394 K CA 0.937 57.208 56.287 -0.027 0.000 1.103 394 K CB 0.277 32.780 32.500 0.006 0.000 0.848 394 K HN 0.788 nan 8.250 nan 0.000 0.528 395 A N 0.880 123.670 122.820 -0.049 0.000 2.599 395 A HA 0.740 5.060 4.320 -0.000 0.000 0.290 395 A C -1.730 175.825 177.584 -0.050 0.000 1.101 395 A CA -0.707 51.292 52.037 -0.063 0.000 0.674 395 A CB 1.527 20.543 19.000 0.027 0.000 1.277 395 A HN 0.101 nan 8.150 nan 0.000 0.419 396 M N 0.755 120.325 119.600 -0.051 0.000 2.446 396 M HA 0.604 5.084 4.480 -0.000 0.000 0.294 396 M C -1.855 174.442 176.300 -0.005 0.000 1.158 396 M CA -0.590 54.686 55.300 -0.040 0.000 0.899 396 M CB 2.458 35.014 32.600 -0.074 0.000 1.687 396 M HN 0.514 nan 8.290 nan 0.000 0.455 397 V N 3.904 123.822 119.914 0.007 0.000 2.588 397 V HA 0.729 4.849 4.120 -0.000 0.000 0.304 397 V C -0.948 175.160 176.094 0.023 0.000 1.042 397 V CA -0.726 61.589 62.300 0.024 0.000 0.877 397 V CB 1.969 33.818 31.823 0.044 0.000 0.996 397 V HN 0.673 nan 8.190 nan 0.000 0.425 398 V N 4.023 123.948 119.914 0.019 0.000 2.823 398 V HA 0.616 4.736 4.120 -0.000 0.000 0.312 398 V C -0.876 175.233 176.094 0.024 0.000 1.072 398 V CA -0.985 61.331 62.300 0.028 0.000 0.937 398 V CB 1.978 33.814 31.823 0.021 0.000 1.013 398 V HN 0.545 nan 8.190 nan 0.000 0.430 399 L N 2.892 124.139 121.223 0.041 0.000 2.257 399 L HA 0.699 5.039 4.340 -0.000 0.000 0.290 399 L C 0.314 177.197 176.870 0.021 0.000 1.044 399 L CA 0.608 55.454 54.840 0.010 0.000 0.810 399 L CB 1.119 43.175 42.059 -0.005 0.000 1.193 399 L HN 0.875 nan 8.230 nan 0.000 0.425 400 S N 2.618 118.329 115.700 0.018 0.000 2.614 400 S HA 0.490 4.960 4.470 -0.000 0.000 0.288 400 S C 0.442 175.064 174.600 0.038 0.000 1.137 400 S CA -0.705 57.513 58.200 0.031 0.000 0.992 400 S CB 0.709 63.931 63.200 0.037 0.000 1.026 400 S HN 0.632 nan 8.310 nan 0.000 0.486 401 N N 2.248 120.972 118.700 0.041 0.000 2.349 401 N HA -0.050 4.690 4.740 -0.000 0.000 0.180 401 N C 1.906 177.448 175.510 0.054 0.000 1.024 401 N CA 1.580 54.662 53.050 0.054 0.000 0.869 401 N CB -0.719 37.797 38.487 0.049 0.000 1.022 401 N HN 0.787 nan 8.380 nan 0.000 0.433 402 T N -2.071 112.510 114.554 0.045 0.000 2.995 402 T HA 0.136 4.486 4.350 -0.000 0.000 0.269 402 T C 1.554 176.278 174.700 0.040 0.000 1.091 402 T CA 1.492 63.617 62.100 0.041 0.000 1.128 402 T CB -0.146 68.745 68.868 0.038 0.000 0.891 402 T HN 0.370 nan 8.240 nan 0.000 0.492 403 G N 1.172 109.997 108.800 0.042 0.000 2.195 403 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.246 403 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.246 403 G C 0.973 175.897 174.900 0.040 0.000 0.984 403 G CA 0.549 45.672 45.100 0.039 0.000 0.633 403 G HN 0.583 nan 8.290 nan 0.000 0.525 404 R N 0.747 121.273 120.500 0.043 0.000 2.080 404 R HA -0.033 4.307 4.340 -0.000 0.000 0.236 404 R C 2.818 179.151 176.300 0.054 0.000 1.137 404 R CA 2.216 58.343 56.100 0.046 0.000 0.943 404 R CB -0.421 29.908 30.300 0.048 0.000 0.846 404 R HN 0.415 nan 8.270 nan 0.000 0.431 405 S N 0.153 115.887 115.700 0.058 0.000 2.370 405 S HA -0.173 4.297 4.470 -0.000 0.000 0.226 405 S C 1.920 176.554 174.600 0.056 0.000 1.033 405 S CA 1.235 59.472 58.200 0.063 0.000 1.011 405 S CB -0.196 63.040 63.200 0.060 0.000 0.852 405 S HN 0.543 nan 8.310 nan 0.000 0.457 406 A N 1.772 124.620 122.820 0.045 0.000 1.902 406 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 406 A C 2.147 179.756 177.584 0.042 0.000 1.181 406 A CA 1.243 53.303 52.037 0.039 0.000 0.623 406 A CB -0.436 18.581 19.000 0.030 0.000 0.818 406 A HN 0.412 nan 8.150 nan 0.000 0.443 407 R N -1.309 119.216 120.500 0.042 0.000 2.096 407 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 407 R C 2.046 178.376 176.300 0.050 0.000 1.127 407 R CA 1.311 57.433 56.100 0.036 0.000 0.968 407 R CB -0.505 29.813 30.300 0.030 0.000 0.861 407 R HN 0.450 nan 8.270 nan 0.000 0.440 408 L N 0.543 121.812 121.223 0.075 0.000 2.046 408 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 408 L C 2.098 179.090 176.870 0.203 0.000 1.077 408 L CA 1.523 56.439 54.840 0.127 0.000 0.747 408 L CB -0.250 41.883 42.059 0.123 0.000 0.896 408 L HN -0.069 nan 8.230 nan 0.000 0.432 409 V N -0.477 119.524 119.914 0.146 0.000 2.358 409 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 409 V C 2.689 178.862 176.094 0.133 0.000 1.047 409 V CA 1.527 63.916 62.300 0.148 0.000 1.035 409 V CB -1.205 30.659 31.823 0.067 0.000 0.658 409 V HN 0.556 nan 8.190 nan 0.000 0.452 410 A N 0.150 123.011 122.820 0.068 0.000 2.019 410 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 410 A C 2.307 179.888 177.584 -0.005 0.000 1.164 410 A CA 1.953 54.006 52.037 0.026 0.000 0.644 410 A CB -0.520 18.487 19.000 0.012 0.000 0.805 410 A HN 0.597 nan 8.150 nan 0.000 0.449 411 K N -1.494 118.898 120.400 -0.013 0.000 2.211 411 K HA -0.176 4.144 4.320 -0.000 0.000 0.204 411 K C 0.920 177.362 176.600 -0.262 0.000 1.047 411 K CA 1.574 57.770 56.287 -0.152 0.000 0.935 411 K CB -0.316 32.066 32.500 -0.196 0.000 0.728 411 K HN 0.527 nan 8.250 nan 0.000 0.452 412 Y N 1.143 121.485 120.300 0.070 0.000 2.461 412 Y HA 0.222 4.772 4.550 -0.000 0.000 0.277 412 Y C -0.188 175.797 175.900 0.142 0.000 1.182 412 Y CA -0.175 58.036 58.100 0.184 0.000 1.276 412 Y CB 0.421 39.032 38.460 0.253 0.000 1.087 412 Y HN -0.032 nan 8.280 nan 0.000 0.519 413 R N -0.414 120.135 120.500 0.083 0.000 3.146 413 R HA -0.155 4.185 4.340 -0.000 0.000 0.250 413 R C -2.981 173.400 176.300 0.135 0.000 0.912 413 R CA 0.186 56.307 56.100 0.035 0.000 0.633 413 R CB -2.067 28.161 30.300 -0.121 0.000 1.180 413 R HN 0.269 nan 8.270 nan 0.000 0.464 414 P HA 0.012 nan 4.420 nan 0.000 0.272 414 P C 0.418 177.673 177.300 -0.075 0.000 1.240 414 P CA -0.159 62.862 63.100 -0.132 0.000 0.791 414 P CB 0.439 32.028 31.700 -0.185 0.000 0.978 415 N N 0.057 118.596 118.700 -0.268 0.000 2.295 415 N HA 0.060 4.800 4.740 -0.000 0.000 0.221 415 N C -0.214 175.304 175.510 0.013 0.000 1.129 415 N CA -0.453 52.584 53.050 -0.021 0.000 0.836 415 N CB -1.142 37.401 38.487 0.094 0.000 1.040 415 N HN 0.446 nan 8.380 nan 0.000 0.494 416 C N -2.707 116.537 119.300 -0.094 0.000 3.171 416 C HA 0.751 5.211 4.460 -0.000 0.000 0.308 416 C C -3.016 171.660 174.990 -0.523 0.000 1.334 416 C CA -1.959 56.901 59.018 -0.262 0.000 1.473 416 C CB 1.472 29.071 27.740 -0.235 0.000 1.866 416 C HN 0.006 nan 8.230 nan 0.000 0.465 417 P HA 0.412 nan 4.420 nan 0.000 0.269 417 P C -0.835 176.236 177.300 -0.381 0.000 1.209 417 P CA 0.300 62.841 63.100 -0.932 0.000 0.776 417 P CB 0.300 31.245 31.700 -1.259 0.000 0.876 418 I N 1.938 122.382 120.570 -0.211 0.000 2.378 418 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 418 I C -0.490 175.611 176.117 -0.026 0.000 0.992 418 I CA -0.782 60.465 61.300 -0.090 0.000 1.154 418 I CB 1.742 39.712 38.000 -0.050 0.000 1.315 418 I HN -0.055 nan 8.210 nan 0.000 0.448 419 V N 5.819 125.736 119.914 0.006 0.000 2.378 419 V HA 0.244 4.364 4.120 -0.000 0.000 0.288 419 V C -0.314 175.771 176.094 -0.016 0.000 1.016 419 V CA -0.638 61.675 62.300 0.022 0.000 0.840 419 V CB 1.517 33.408 31.823 0.115 0.000 0.994 419 V HN 0.864 nan 8.190 nan 0.000 0.431 420 C N 6.629 125.902 119.300 -0.045 0.000 2.330 420 C HA 0.762 5.222 4.460 -0.000 0.000 0.344 420 C C 0.016 174.975 174.990 -0.050 0.000 1.273 420 C CA -0.169 58.831 59.018 -0.031 0.000 1.879 420 C CB 0.432 28.164 27.740 -0.012 0.000 2.376 420 C HN 0.701 nan 8.230 nan 0.000 0.534 421 V N 6.366 126.260 119.914 -0.034 0.000 2.357 421 V HA 0.558 4.678 4.120 -0.000 0.000 0.284 421 V C 0.416 176.504 176.094 -0.010 0.000 1.018 421 V CA 0.022 62.299 62.300 -0.038 0.000 0.841 421 V CB 1.524 33.304 31.823 -0.073 0.000 0.991 421 V HN 1.001 nan 8.190 nan 0.000 0.437 422 T N 2.134 116.715 114.554 0.045 0.000 2.893 422 T HA 0.400 4.750 4.350 -0.000 0.000 0.291 422 T C 0.836 175.631 174.700 0.159 0.000 1.028 422 T CA 0.234 62.391 62.100 0.095 0.000 0.995 422 T CB 1.739 70.675 68.868 0.115 0.000 1.051 422 T HN 0.845 nan 8.240 nan 0.000 0.470 423 T N 1.311 115.962 114.554 0.163 0.000 3.122 423 T HA 0.395 4.745 4.350 -0.000 0.000 0.250 423 T C 0.504 175.441 174.700 0.395 0.000 1.067 423 T CA -0.229 61.995 62.100 0.207 0.000 0.966 423 T CB -0.023 68.946 68.868 0.169 0.000 1.002 423 T HN 0.329 nan 8.240 nan 0.000 0.542 424 R N 0.223 120.932 120.500 0.347 0.000 2.480 424 R HA 0.610 4.950 4.340 -0.000 0.000 0.306 424 R C 0.827 177.202 176.300 0.124 0.000 0.958 424 R CA -0.629 55.611 56.100 0.234 0.000 0.861 424 R CB 1.212 31.583 30.300 0.118 0.000 1.171 424 R HN 0.056 nan 8.270 nan 0.000 0.445 425 L N 1.646 122.795 121.223 -0.123 0.000 2.083 425 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 425 L C 2.198 179.001 176.870 -0.112 0.000 1.083 425 L CA 1.501 56.176 54.840 -0.275 0.000 0.752 425 L CB -0.054 41.722 42.059 -0.472 0.000 0.899 425 L HN 0.719 nan 8.230 nan 0.000 0.433 426 Q N -0.657 119.101 119.800 -0.069 0.000 2.170 426 Q HA -0.202 4.138 4.340 -0.000 0.000 0.203 426 Q C 1.965 177.958 176.000 -0.011 0.000 0.976 426 Q CA 2.036 57.815 55.803 -0.040 0.000 0.858 426 Q CB 0.061 28.780 28.738 -0.031 0.000 0.907 426 Q HN 0.374 nan 8.270 nan 0.000 0.433 427 T N -0.305 114.256 114.554 0.013 0.000 2.788 427 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 427 T C 1.841 176.557 174.700 0.027 0.000 1.044 427 T CA 1.297 63.415 62.100 0.031 0.000 1.139 427 T CB -0.387 68.514 68.868 0.055 0.000 0.867 427 T HN 0.455 nan 8.240 nan 0.000 0.454 428 C N 1.399 120.714 119.300 0.024 0.000 2.429 428 C HA -0.018 4.442 4.460 -0.000 0.000 0.277 428 C C 2.822 177.816 174.990 0.008 0.000 1.262 428 C CA 0.374 59.403 59.018 0.018 0.000 1.733 428 C CB -1.005 26.744 27.740 0.014 0.000 2.010 428 C HN 0.557 nan 8.230 nan 0.000 0.483 429 R N 0.543 121.039 120.500 -0.007 0.000 2.075 429 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 429 R C 2.299 178.605 176.300 0.010 0.000 1.126 429 R CA 1.205 57.303 56.100 -0.004 0.000 0.963 429 R CB -0.424 29.862 30.300 -0.022 0.000 0.858 429 R HN 0.657 nan 8.270 nan 0.000 0.435 430 Q N 0.616 120.423 119.800 0.010 0.000 2.170 430 Q HA -0.070 4.270 4.340 -0.000 0.000 0.203 430 Q C 1.969 177.989 176.000 0.033 0.000 0.976 430 Q CA 0.966 56.782 55.803 0.021 0.000 0.858 430 Q CB 0.008 28.757 28.738 0.017 0.000 0.907 430 Q HN 0.371 nan 8.270 nan 0.000 0.433 431 L N 0.775 122.016 121.223 0.031 0.000 2.622 431 L HA -0.074 4.266 4.340 -0.000 0.000 0.233 431 L C 1.092 177.986 176.870 0.040 0.000 1.156 431 L CA 0.014 54.874 54.840 0.034 0.000 0.866 431 L CB -0.197 41.879 42.059 0.029 0.000 0.980 431 L HN 0.186 nan 8.230 nan 0.000 0.448 432 N N 0.673 119.399 118.700 0.043 0.000 2.512 432 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 432 N C 1.555 177.102 175.510 0.062 0.000 1.073 432 N CA 0.795 53.876 53.050 0.052 0.000 0.911 432 N CB 0.006 38.523 38.487 0.049 0.000 0.964 432 N HN 0.531 nan 8.380 nan 0.000 0.447 433 I N -4.027 116.581 120.570 0.064 0.000 3.956 433 I HA 0.242 4.412 4.170 -0.000 0.000 0.333 433 I C -0.323 175.822 176.117 0.047 0.000 1.302 433 I CA 0.055 61.395 61.300 0.067 0.000 1.122 433 I CB 0.080 38.136 38.000 0.092 0.000 1.013 433 I HN -0.279 nan 8.210 nan 0.000 0.405 434 T N 3.088 117.667 114.554 0.041 0.000 2.767 434 T HA 0.333 4.683 4.350 -0.000 0.000 0.284 434 T C -0.123 174.595 174.700 0.030 0.000 0.973 434 T CA -0.422 61.696 62.100 0.029 0.000 0.996 434 T CB 1.300 70.185 68.868 0.027 0.000 0.927 434 T HN 0.401 nan 8.240 nan 0.000 0.456 435 Q N 1.857 121.668 119.800 0.018 0.000 2.392 435 Q HA 0.459 4.799 4.340 -0.000 0.000 0.262 435 Q C 1.087 177.110 176.000 0.039 0.000 1.003 435 Q CA 0.419 56.236 55.803 0.024 0.000 0.888 435 Q CB -0.134 28.605 28.738 0.002 0.000 1.260 435 Q HN 0.841 nan 8.270 nan 0.000 0.435 436 G N 0.356 109.202 108.800 0.077 0.000 2.153 436 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.252 436 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.252 436 G C -0.369 174.572 174.900 0.068 0.000 0.994 436 G CA 0.102 45.275 45.100 0.121 0.000 0.698 436 G HN 0.693 nan 8.290 nan 0.000 0.521 437 V N -0.145 119.806 119.914 0.061 0.000 2.656 437 V HA 0.654 4.774 4.120 -0.000 0.000 0.307 437 V C -0.059 176.068 176.094 0.056 0.000 1.051 437 V CA -0.781 61.542 62.300 0.038 0.000 0.893 437 V CB 2.005 33.844 31.823 0.027 0.000 0.999 437 V HN 0.358 nan 8.190 nan 0.000 0.426 438 E N 1.769 121.996 120.200 0.046 0.000 2.222 438 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 438 E C -1.154 175.393 176.600 -0.088 0.000 0.884 438 E CA -0.482 55.942 56.400 0.040 0.000 0.764 438 E CB 2.255 32.065 29.700 0.182 0.000 1.169 438 E HN 0.646 nan 8.360 nan 0.000 0.413 439 S N 1.260 116.890 115.700 -0.116 0.000 2.509 439 S HA 0.467 4.937 4.470 -0.000 0.000 0.297 439 S C -0.624 173.826 174.600 -0.250 0.000 1.118 439 S CA -0.747 57.372 58.200 -0.134 0.000 1.074 439 S CB 1.452 64.635 63.200 -0.028 0.000 1.038 439 S HN 0.229 nan 8.310 nan 0.000 0.498 440 V N 3.814 123.598 119.914 -0.217 0.000 2.409 440 V HA 0.406 4.526 4.120 -0.000 0.000 0.291 440 V C -0.624 175.504 176.094 0.057 0.000 1.020 440 V CA -0.784 61.422 62.300 -0.156 0.000 0.848 440 V CB 0.971 32.659 31.823 -0.225 0.000 0.990 440 V HN 0.840 nan 8.190 nan 0.000 0.430 441 F N 6.064 126.006 119.950 -0.013 0.000 2.427 441 F HA 0.593 5.120 4.527 -0.000 0.000 0.352 441 F C -0.724 175.143 175.800 0.111 0.000 1.100 441 F CA -1.060 56.965 58.000 0.041 0.000 1.191 441 F CB 0.769 39.778 39.000 0.015 0.000 1.128 441 F HN 0.430 nan 8.300 nan 0.000 0.533 442 F N 6.455 125.905 119.950 -0.832 0.000 2.460 442 F HA 0.277 4.804 4.527 0.000 0.000 0.341 442 F C -0.629 174.566 175.800 -1.008 0.000 1.130 442 F CA -0.884 56.700 58.000 -0.692 0.000 0.962 442 F CB 0.543 39.357 39.000 -0.310 0.000 1.171 442 F HN 0.404 nan 8.300 nan 0.000 0.436 443 D N 5.083 124.770 120.400 -1.189 0.000 2.374 443 D HA 0.281 4.921 4.640 -0.000 0.000 0.240 443 D C 0.918 176.922 176.300 -0.494 0.000 1.229 443 D CA 0.376 53.941 54.000 -0.724 0.000 0.895 443 D CB 1.618 42.190 40.800 -0.380 0.000 1.046 443 D HN 0.718 nan 8.370 nan 0.000 0.498 444 A N 4.057 126.771 122.820 -0.176 0.000 1.933 444 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 444 A C 1.700 179.211 177.584 -0.122 0.000 1.175 444 A CA 1.313 53.339 52.037 -0.018 0.000 0.628 444 A CB -0.098 19.008 19.000 0.177 0.000 0.814 444 A HN 0.489 nan 8.150 nan 0.000 0.444 445 D N -0.475 119.869 120.400 -0.093 0.000 2.084 445 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 445 D C 1.955 178.173 176.300 -0.136 0.000 0.990 445 D CA 1.691 55.632 54.000 -0.099 0.000 0.826 445 D CB -0.208 40.571 40.800 -0.035 0.000 0.971 445 D HN 0.384 nan 8.370 nan 0.000 0.453 446 K N 0.164 120.471 120.400 -0.154 0.000 2.026 446 K HA 0.032 4.352 4.320 -0.000 0.000 0.208 446 K C 1.606 178.073 176.600 -0.221 0.000 1.048 446 K CA 0.978 57.163 56.287 -0.170 0.000 0.929 446 K CB -0.105 32.291 32.500 -0.174 0.000 0.713 446 K HN 0.130 nan 8.250 nan 0.000 0.439 447 L N -0.559 120.470 121.223 -0.324 0.000 2.640 447 L HA 0.345 4.685 4.340 -0.000 0.000 0.230 447 L C 0.547 177.309 176.870 -0.180 0.000 1.123 447 L CA -0.190 54.445 54.840 -0.342 0.000 0.900 447 L CB 0.178 41.845 42.059 -0.654 0.000 1.146 447 L HN 0.394 nan 8.230 nan 0.000 0.484 448 G N -0.450 108.259 108.800 -0.152 0.000 2.746 448 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.685 448 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.685 448 G C 0.045 174.981 174.900 0.060 0.000 1.350 448 G CA -0.520 44.516 45.100 -0.107 0.000 0.837 448 G HN 0.158 nan 8.290 nan 0.000 0.564 449 H N 0.505 119.635 119.070 0.099 0.000 2.524 449 H HA 0.039 4.595 4.556 0.000 0.000 0.282 449 H C 1.703 177.084 175.328 0.088 0.000 1.016 449 H CA 1.572 57.675 56.048 0.093 0.000 1.270 449 H CB -0.051 29.740 29.762 0.049 0.000 1.394 449 H HN 0.847 nan 8.280 nan 0.000 0.568 450 D N 1.162 121.701 120.400 0.231 0.000 2.689 450 D HA -0.164 4.476 4.640 -0.000 0.000 0.237 450 D C 1.210 177.527 176.300 0.030 0.000 1.148 450 D CA 0.750 54.836 54.000 0.144 0.000 0.656 450 D CB -0.621 40.215 40.800 0.061 0.000 1.050 450 D HN 0.607 nan 8.370 nan 0.000 0.426 451 E N -0.994 119.233 120.200 0.046 0.000 2.204 451 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 451 E C 2.105 178.702 176.600 -0.005 0.000 0.990 451 E CA 1.237 57.642 56.400 0.008 0.000 0.821 451 E CB -0.346 29.361 29.700 0.011 0.000 0.750 451 E HN 0.514 nan 8.360 nan 0.000 0.477 452 G N 0.866 109.645 108.800 -0.035 0.000 2.880 452 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.209 452 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.209 452 G C 0.641 175.520 174.900 -0.035 0.000 1.157 452 G CA 0.247 45.350 45.100 0.006 0.000 0.779 452 G HN 0.196 nan 8.290 nan 0.000 0.539 453 K N -0.944 119.362 120.400 -0.158 0.000 3.548 453 K HA -0.223 4.097 4.320 -0.000 0.000 0.296 453 K C 1.634 178.042 176.600 -0.320 0.000 1.324 453 K CA 1.346 57.447 56.287 -0.311 0.000 0.976 453 K CB -1.253 30.918 32.500 -0.549 0.000 1.294 453 K HN 0.612 nan 8.250 nan 0.000 0.464 454 E N -0.044 119.990 120.200 -0.276 0.000 2.110 454 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 454 E C 1.460 177.904 176.600 -0.260 0.000 0.988 454 E CA 1.620 57.857 56.400 -0.271 0.000 0.804 454 E CB -0.292 29.229 29.700 -0.299 0.000 0.745 454 E HN 0.607 nan 8.360 nan 0.000 0.458 455 H N 0.736 119.741 119.070 -0.108 0.000 2.326 455 H HA 0.073 4.629 4.556 0.000 0.000 0.301 455 H C 2.276 177.478 175.328 -0.210 0.000 1.081 455 H CA 1.268 57.270 56.048 -0.077 0.000 1.334 455 H CB 0.046 29.840 29.762 0.054 0.000 1.385 455 H HN -0.009 nan 8.280 nan 0.000 0.504 456 R N 0.256 120.521 120.500 -0.392 0.000 2.081 456 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 456 R C 2.314 178.492 176.300 -0.203 0.000 1.131 456 R CA 1.273 57.068 56.100 -0.509 0.000 0.960 456 R CB -0.299 29.637 30.300 -0.607 0.000 0.856 456 R HN 0.151 nan 8.270 nan 0.000 0.436 457 V N 0.892 120.704 119.914 -0.171 0.000 2.343 457 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 457 V C 2.408 178.494 176.094 -0.013 0.000 1.051 457 V CA 1.968 64.223 62.300 -0.075 0.000 1.036 457 V CB -0.657 31.124 31.823 -0.071 0.000 0.654 457 V HN 0.420 nan 8.190 nan 0.000 0.451 458 A N -0.076 122.744 122.820 -0.000 0.000 1.933 458 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 458 A C 2.423 180.051 177.584 0.074 0.000 1.175 458 A CA 2.021 54.086 52.037 0.046 0.000 0.628 458 A CB -0.716 18.326 19.000 0.070 0.000 0.814 458 A HN 0.563 nan 8.150 nan 0.000 0.444 459 A N -0.459 122.413 122.820 0.085 0.000 1.902 459 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 459 A C 2.415 180.071 177.584 0.120 0.000 1.181 459 A CA 1.904 54.011 52.037 0.118 0.000 0.623 459 A CB -1.376 17.719 19.000 0.158 0.000 0.818 459 A HN 0.711 nan 8.150 nan 0.000 0.443 460 G N -0.678 108.167 108.800 0.075 0.000 2.418 460 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.217 460 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.217 460 G C 1.519 176.510 174.900 0.152 0.000 1.158 460 G CA 1.180 46.337 45.100 0.095 0.000 0.771 460 G HN 0.303 nan 8.290 nan 0.000 0.545 461 V N 0.803 120.780 119.914 0.106 0.000 2.343 461 V HA -0.148 3.972 4.120 -0.000 0.000 0.247 461 V C 2.720 178.873 176.094 0.099 0.000 1.051 461 V CA 2.335 64.692 62.300 0.097 0.000 1.036 461 V CB -0.148 31.714 31.823 0.065 0.000 0.654 461 V HN 0.484 nan 8.190 nan 0.000 0.451 462 E N 0.193 120.455 120.200 0.103 0.000 2.077 462 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 462 E C 1.916 178.570 176.600 0.089 0.000 0.989 462 E CA 1.688 58.138 56.400 0.082 0.000 0.800 462 E CB -0.536 29.215 29.700 0.085 0.000 0.746 462 E HN 0.560 nan 8.360 nan 0.000 0.452 463 F N 0.529 120.486 119.950 0.012 0.000 2.134 463 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 463 F C 2.036 177.816 175.800 -0.033 0.000 1.097 463 F CA 1.756 59.756 58.000 0.001 0.000 1.264 463 F CB -0.525 38.494 39.000 0.032 0.000 1.001 463 F HN 0.122 nan 8.300 nan 0.000 0.479 464 A N 0.256 123.151 122.820 0.124 0.000 1.933 464 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 464 A C 2.282 179.782 177.584 -0.140 0.000 1.175 464 A CA 1.700 53.755 52.037 0.031 0.000 0.628 464 A CB -0.666 18.439 19.000 0.175 0.000 0.814 464 A HN 0.444 nan 8.150 nan 0.000 0.444 465 K N 0.011 120.358 120.400 -0.089 0.000 2.057 465 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 465 K C 2.529 179.017 176.600 -0.187 0.000 1.049 465 K CA 1.572 57.796 56.287 -0.104 0.000 0.931 465 K CB -0.215 32.255 32.500 -0.050 0.000 0.714 465 K HN 0.638 nan 8.250 nan 0.000 0.440 466 S N 1.141 116.702 115.700 -0.232 0.000 2.382 466 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 466 S C 1.654 176.020 174.600 -0.390 0.000 1.027 466 S CA 1.073 59.110 58.200 -0.270 0.000 0.991 466 S CB -0.021 63.041 63.200 -0.230 0.000 0.823 466 S HN 0.130 nan 8.310 nan 0.000 0.469 467 K N 0.565 120.584 120.400 -0.636 0.000 2.444 467 K HA 0.207 4.527 4.320 -0.000 0.000 0.193 467 K C 1.399 177.599 176.600 -0.667 0.000 1.024 467 K CA 0.637 56.474 56.287 -0.750 0.000 1.077 467 K CB -0.131 31.668 32.500 -1.168 0.000 0.833 467 K HN 0.648 nan 8.250 nan 0.000 0.517 468 G N 1.277 109.798 108.800 -0.466 0.000 2.159 468 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.256 468 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.256 468 G C 0.584 175.419 174.900 -0.108 0.000 0.977 468 G CA 0.254 45.209 45.100 -0.241 0.000 0.652 468 G HN 0.205 nan 8.290 nan 0.000 0.531 469 Y N -0.020 120.239 120.300 -0.069 0.000 2.224 469 Y HA 0.231 4.781 4.550 -0.000 0.000 0.289 469 Y C 1.958 177.831 175.900 -0.045 0.000 1.146 469 Y CA 0.884 58.950 58.100 -0.056 0.000 1.182 469 Y CB -0.680 37.732 38.460 -0.079 0.000 0.983 469 Y HN 0.770 nan 8.280 nan 0.000 0.524 470 V N -1.476 118.483 119.914 0.076 0.000 2.914 470 V HA 0.695 4.815 4.120 -0.000 0.000 0.314 470 V C -0.900 175.190 176.094 -0.008 0.000 1.084 470 V CA -1.227 61.091 62.300 0.030 0.000 0.963 470 V CB 2.069 33.913 31.823 0.035 0.000 1.025 470 V HN 0.156 nan 8.190 nan 0.000 0.432 471 Q N 0.771 120.561 119.800 -0.017 0.000 2.587 471 Q HA 0.644 4.984 4.340 -0.000 0.000 0.293 471 Q C -0.539 175.440 176.000 -0.035 0.000 1.083 471 Q CA -0.894 54.893 55.803 -0.028 0.000 0.792 471 Q CB 1.456 30.177 28.738 -0.029 0.000 1.484 471 Q HN 0.880 nan 8.270 nan 0.000 0.446 472 T N -1.223 113.311 114.554 -0.035 0.000 2.940 472 T HA 0.388 4.738 4.350 -0.000 0.000 0.309 472 T C 1.120 175.783 174.700 -0.061 0.000 1.056 472 T CA 0.303 62.380 62.100 -0.038 0.000 1.137 472 T CB 0.509 69.360 68.868 -0.028 0.000 0.976 472 T HN 1.084 nan 8.240 nan 0.000 0.547 473 G N 1.753 110.505 108.800 -0.079 0.000 2.195 473 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.246 473 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.246 473 G C -0.163 174.593 174.900 -0.240 0.000 0.984 473 G CA -0.055 44.965 45.100 -0.134 0.000 0.633 473 G HN 0.791 nan 8.290 nan 0.000 0.525 474 D N -0.091 120.199 120.400 -0.182 0.000 2.344 474 D HA 0.521 5.161 4.640 -0.000 0.000 0.244 474 D C 0.154 176.345 176.300 -0.182 0.000 1.134 474 D CA 0.050 53.925 54.000 -0.208 0.000 0.930 474 D CB 0.377 41.130 40.800 -0.080 0.000 1.175 474 D HN 0.134 nan 8.370 nan 0.000 0.437 475 Y N 0.083 120.378 120.300 -0.009 0.000 2.308 475 Y HA 0.295 4.845 4.550 0.000 0.000 0.329 475 Y C 0.451 176.339 175.900 -0.019 0.000 1.111 475 Y CA -0.993 57.099 58.100 -0.014 0.000 1.179 475 Y CB 1.268 39.716 38.460 -0.020 0.000 1.201 475 Y HN 0.202 nan 8.280 nan 0.000 0.483 476 C N 4.255 123.655 119.300 0.166 0.000 2.396 476 C HA 0.800 5.260 4.460 -0.000 0.000 0.321 476 C C -0.822 174.193 174.990 0.041 0.000 1.233 476 C CA -0.661 58.403 59.018 0.078 0.000 1.440 476 C CB -0.313 27.465 27.740 0.064 0.000 2.110 476 C HN 0.619 nan 8.230 nan 0.000 0.473 477 V N 6.906 126.820 119.914 0.000 0.000 2.407 477 V HA 0.530 4.650 4.120 -0.000 0.000 0.278 477 V C -0.038 176.036 176.094 -0.034 0.000 1.037 477 V CA -0.187 62.091 62.300 -0.036 0.000 0.900 477 V CB 1.494 33.278 31.823 -0.066 0.000 0.983 477 V HN 0.742 nan 8.190 nan 0.000 0.459 478 V N 6.657 126.543 119.914 -0.046 0.000 2.604 478 V HA 0.575 4.695 4.120 -0.000 0.000 0.305 478 V C -0.374 175.647 176.094 -0.122 0.000 1.043 478 V CA -0.493 61.785 62.300 -0.037 0.000 0.888 478 V CB 2.033 33.864 31.823 0.013 0.000 0.995 478 V HN 0.690 nan 8.190 nan 0.000 0.429 479 I N 5.488 126.004 120.570 -0.089 0.000 2.447 479 I HA 0.712 4.882 4.170 -0.000 0.000 0.287 479 I C -0.457 175.611 176.117 -0.082 0.000 1.023 479 I CA -0.247 60.964 61.300 -0.148 0.000 1.083 479 I CB 1.657 39.622 38.000 -0.059 0.000 1.245 479 I HN 1.032 nan 8.210 nan 0.000 0.434 480 H N 3.879 122.917 119.070 -0.053 0.000 2.888 480 H HA 0.792 5.348 4.556 -0.000 0.000 0.267 480 H C -0.973 174.300 175.328 -0.091 0.000 1.482 480 H CA -1.008 55.001 56.048 -0.066 0.000 1.165 480 H CB 0.467 30.184 29.762 -0.075 0.000 1.866 480 H HN 0.542 nan 8.280 nan 0.000 0.599 481 A N 0.392 123.274 122.820 0.105 0.000 2.313 481 A HA 0.421 4.741 4.320 -0.000 0.000 0.261 481 A C -0.127 177.491 177.584 0.055 0.000 1.090 481 A CA 0.158 52.185 52.037 -0.017 0.000 0.807 481 A CB -0.295 18.643 19.000 -0.104 0.000 1.055 481 A HN 0.810 nan 8.150 nan 0.000 0.492 482 D N -1.040 119.313 120.400 -0.079 0.000 2.440 482 D HA 0.125 4.765 4.640 -0.000 0.000 0.269 482 D C 0.791 177.028 176.300 -0.105 0.000 1.249 482 D CA -0.070 53.834 54.000 -0.160 0.000 1.055 482 D CB -0.092 40.611 40.800 -0.162 0.000 1.104 482 D HN 0.466 nan 8.370 nan 0.000 0.561 483 H N -0.964 118.096 119.070 -0.017 0.000 2.389 483 H HA -0.027 4.529 4.556 -0.000 0.000 0.299 483 H C 1.767 177.073 175.328 -0.036 0.000 1.081 483 H CA 1.346 57.377 56.048 -0.027 0.000 1.345 483 H CB -0.080 29.669 29.762 -0.022 0.000 1.393 483 H HN 0.473 nan 8.280 nan 0.000 0.520 484 K N 0.832 121.276 120.400 0.074 0.000 2.031 484 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 484 K C 0.429 177.014 176.600 -0.025 0.000 1.049 484 K CA 0.279 56.578 56.287 0.021 0.000 0.939 484 K CB 0.178 32.686 32.500 0.014 0.000 0.717 484 K HN -0.072 nan 8.250 nan 0.000 0.438 485 V N 3.223 123.092 119.914 -0.075 0.000 2.637 485 V HA 0.032 4.152 4.120 -0.000 0.000 0.296 485 V C 0.023 176.012 176.094 -0.174 0.000 1.046 485 V CA 0.214 62.419 62.300 -0.159 0.000 1.066 485 V CB 1.116 32.756 31.823 -0.305 0.000 0.968 485 V HN 0.206 nan 8.190 nan 0.000 0.483 486 K N 2.702 123.013 120.400 -0.149 0.000 2.371 486 K HA 0.630 4.950 4.320 -0.000 0.000 0.251 486 K C 0.770 177.344 176.600 -0.043 0.000 0.934 486 K CA 0.035 56.268 56.287 -0.090 0.000 0.798 486 K CB 1.731 34.211 32.500 -0.035 0.000 1.204 486 K HN 0.903 nan 8.250 nan 0.000 0.427 487 G N 1.567 110.362 108.800 -0.008 0.000 2.213 487 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.236 487 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.236 487 G C -0.346 174.675 174.900 0.201 0.000 0.991 487 G CA 0.816 45.972 45.100 0.095 0.000 0.629 487 G HN 0.669 nan 8.290 nan 0.000 0.517 488 Y N -2.659 117.648 120.300 0.013 0.000 2.725 488 Y HA 0.778 5.328 4.550 -0.000 0.000 0.333 488 Y C -0.330 175.579 175.900 0.014 0.000 1.242 488 Y CA -1.271 56.838 58.100 0.014 0.000 1.059 488 Y CB 0.675 39.143 38.460 0.012 0.000 1.306 488 Y HN 0.984 nan 8.280 nan 0.000 0.454 489 A N 1.277 124.162 122.820 0.109 0.000 2.260 489 A HA 0.395 4.715 4.320 -0.000 0.000 0.314 489 A C -0.214 177.403 177.584 0.055 0.000 1.257 489 A CA -0.349 51.688 52.037 -0.001 0.000 0.871 489 A CB -0.495 18.524 19.000 0.032 0.000 1.166 489 A HN 0.960 nan 8.150 nan 0.000 0.522 490 N N 1.633 120.282 118.700 -0.085 0.000 2.203 490 N HA 0.102 4.842 4.740 -0.000 0.000 0.207 490 N C 0.091 175.572 175.510 -0.049 0.000 1.130 490 N CA -0.213 52.839 53.050 0.004 0.000 0.861 490 N CB 0.401 38.873 38.487 -0.025 0.000 1.005 490 N HN 0.669 nan 8.380 nan 0.000 0.507 491 Q N 0.454 120.187 119.800 -0.111 0.000 2.372 491 Q HA 0.327 4.667 4.340 -0.000 0.000 0.273 491 Q C -1.706 174.165 176.000 -0.215 0.000 1.078 491 Q CA -0.709 54.992 55.803 -0.170 0.000 0.806 491 Q CB 2.470 31.071 28.738 -0.229 0.000 1.332 491 Q HN 0.102 nan 8.270 nan 0.000 0.435 492 T N 2.334 116.781 114.554 -0.178 0.000 2.876 492 T HA 0.713 5.063 4.350 -0.000 0.000 0.289 492 T C -1.467 173.137 174.700 -0.160 0.000 1.014 492 T CA -0.478 61.519 62.100 -0.173 0.000 0.986 492 T CB 0.896 69.695 68.868 -0.115 0.000 1.021 492 T HN 0.621 nan 8.240 nan 0.000 0.458 493 R N 3.159 123.567 120.500 -0.154 0.000 2.628 493 R HA 0.602 4.942 4.340 -0.000 0.000 0.288 493 R C -0.888 175.362 176.300 -0.084 0.000 0.980 493 R CA -0.699 55.336 56.100 -0.109 0.000 0.891 493 R CB 1.951 32.195 30.300 -0.093 0.000 1.188 493 R HN 0.520 nan 8.270 nan 0.000 0.450 494 I N 4.946 125.465 120.570 -0.086 0.000 2.307 494 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 494 I C -0.655 175.445 176.117 -0.028 0.000 1.021 494 I CA -0.717 60.529 61.300 -0.091 0.000 1.224 494 I CB 0.597 38.476 38.000 -0.201 0.000 1.376 494 I HN 0.343 nan 8.210 nan 0.000 0.470 495 L N 5.766 127.010 121.223 0.035 0.000 2.334 495 L HA 0.647 4.987 4.340 -0.000 0.000 0.276 495 L C -0.558 176.405 176.870 0.155 0.000 1.014 495 L CA -0.899 53.988 54.840 0.079 0.000 0.815 495 L CB 0.942 43.032 42.059 0.052 0.000 1.268 495 L HN 0.301 nan 8.230 nan 0.000 0.428 496 L N 3.172 124.484 121.223 0.149 0.000 2.349 496 L HA 0.587 4.927 4.340 -0.000 0.000 0.275 496 L C -0.056 176.845 176.870 0.052 0.000 1.115 496 L CA -0.057 54.855 54.840 0.120 0.000 0.820 496 L CB 1.564 43.680 42.059 0.095 0.000 1.135 496 L HN 0.640 nan 8.230 nan 0.000 0.445 497 V N 2.785 122.708 119.914 0.016 0.000 2.439 497 V HA 0.699 4.819 4.120 -0.000 0.000 0.282 497 V C -0.276 175.816 176.094 -0.005 0.000 1.039 497 V CA -0.353 61.954 62.300 0.010 0.000 0.913 497 V CB 1.249 33.079 31.823 0.012 0.000 0.983 497 V HN 0.934 nan 8.190 nan 0.000 0.460 498 E N 0.000 120.202 120.200 0.003 0.000 2.725 498 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 498 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 498 E CB 0.000 29.702 29.700 0.003 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440