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 3dfh_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLKETIISDI HCIITKPDRH NLITVVVETN EGVTGFGCAT FQQRPLAVKT DATA SEQUENCE MVDEYLKPIL IGKNANNIED LWQMMMVNAY WRNGPVINNA ISGVDMALWD DATA SEQUENCE IKAKLAGMPL HQLFGGKSRD AIPVYTHATS DTMEGIYDLV EGFLEKGYKH DATA SEQUENCE IRCQLGFXXX XXXXXXXXXX XXXXXXXDQD QYMDNTLTMF KSLREKYGNQ DATA SEQUENCE FHILHDVHER LFPNQAIQFA KEVEQYKPYF IEDILPPNQT EWLDNIRSQS DATA SEQUENCE SVSLGLGELF NNPEEWKSLI ANRRIDFIRC HVSQIGGITP ALKLGHLCQN DATA SEQUENCE FGVRIAWHCP PDMTPIGAAV NTHLNVHLHN AAIQEHVEYN GNTHKVFPNA DATA SEQUENCE AEPINGYLYA SEIAGIGVEI DREAAAEFP 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.598 174.600 -0.004 0.000 1.055 2 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 2 S CB 0.000 63.200 63.200 0.000 0.000 0.593 3 L N 3.205 124.424 121.223 -0.006 0.000 2.415 3 L HA 0.599 4.939 4.340 -0.000 0.000 0.268 3 L C -0.107 176.756 176.870 -0.012 0.000 0.984 3 L CA -0.334 54.500 54.840 -0.010 0.000 0.853 3 L CB 1.399 43.449 42.059 -0.014 0.000 1.215 3 L HN 0.564 nan 8.230 nan 0.000 0.419 4 K N 3.300 123.694 120.400 -0.011 0.000 2.319 4 K HA 0.188 4.508 4.320 -0.000 0.000 0.265 4 K C -0.417 176.174 176.600 -0.015 0.000 1.000 4 K CA -0.473 55.807 56.287 -0.011 0.000 0.943 4 K CB 0.610 33.105 32.500 -0.008 0.000 0.950 4 K HN 0.609 nan 8.250 nan 0.000 0.485 5 E N 0.971 121.162 120.200 -0.015 0.000 2.604 5 E HA -0.089 4.261 4.350 -0.000 0.000 0.267 5 E C -0.606 175.982 176.600 -0.020 0.000 0.970 5 E CA 0.888 57.276 56.400 -0.019 0.000 0.956 5 E CB 0.361 30.052 29.700 -0.016 0.000 0.939 5 E HN 0.467 nan 8.360 nan 0.000 0.465 6 T N 4.367 118.905 114.554 -0.026 0.000 2.821 6 T HA 0.293 4.643 4.350 -0.000 0.000 0.307 6 T C -0.045 174.638 174.700 -0.027 0.000 1.034 6 T CA -0.699 61.385 62.100 -0.027 0.000 0.953 6 T CB 0.292 69.140 68.868 -0.033 0.000 0.968 6 T HN 0.207 nan 8.240 nan 0.000 0.462 7 I N 3.981 124.538 120.570 -0.023 0.000 2.371 7 I HA 0.293 4.463 4.170 -0.000 0.000 0.290 7 I C 0.643 176.744 176.117 -0.027 0.000 1.028 7 I CA -1.072 60.214 61.300 -0.023 0.000 1.345 7 I CB 0.466 38.455 38.000 -0.018 0.000 1.407 7 I HN 0.588 nan 8.210 nan 0.000 0.501 8 I N 5.844 126.396 120.570 -0.031 0.000 2.533 8 I HA -0.038 4.132 4.170 -0.000 0.000 0.284 8 I C 1.414 177.508 176.117 -0.039 0.000 1.109 8 I CA 0.418 61.694 61.300 -0.039 0.000 1.412 8 I CB 0.841 38.815 38.000 -0.043 0.000 1.396 8 I HN 0.733 nan 8.210 nan 0.000 0.543 9 S N 2.567 118.241 115.700 -0.042 0.000 2.514 9 S HA 0.223 4.693 4.470 -0.000 0.000 0.223 9 S C 0.171 174.737 174.600 -0.057 0.000 1.046 9 S CA -0.216 57.962 58.200 -0.037 0.000 0.914 9 S CB 0.375 63.563 63.200 -0.021 0.000 0.807 9 S HN 0.707 nan 8.310 nan 0.000 0.497 10 D N -0.753 119.590 120.400 -0.094 0.000 2.653 10 D HA 0.617 5.257 4.640 -0.000 0.000 0.258 10 D C -2.087 174.031 176.300 -0.302 0.000 1.252 10 D CA -0.513 53.379 54.000 -0.179 0.000 0.777 10 D CB 1.570 42.285 40.800 -0.143 0.000 1.339 10 D HN 0.166 nan 8.370 nan 0.000 0.422 11 I N 1.969 122.249 120.570 -0.484 0.000 2.644 11 I HA 0.342 4.512 4.170 -0.000 0.000 0.291 11 I C -0.987 174.768 176.117 -0.602 0.000 1.180 11 I CA -0.517 60.523 61.300 -0.434 0.000 1.040 11 I CB 2.120 40.008 38.000 -0.187 0.000 1.255 11 I HN 0.284 nan 8.210 nan 0.000 0.422 12 H N 3.650 122.715 119.070 -0.009 0.000 2.768 12 H HA 0.490 5.046 4.556 -0.000 0.000 0.371 12 H C -1.330 174.019 175.328 0.035 0.000 1.151 12 H CA -0.726 55.329 56.048 0.012 0.000 1.165 12 H CB 2.449 32.218 29.762 0.013 0.000 1.722 12 H HN 0.573 nan 8.280 nan 0.000 0.543 13 C N 4.432 123.832 119.300 0.166 0.000 2.340 13 C HA 0.610 5.070 4.460 -0.000 0.000 0.323 13 C C -0.308 174.765 174.990 0.138 0.000 1.260 13 C CA -0.421 58.680 59.018 0.138 0.000 1.464 13 C CB -1.336 26.468 27.740 0.108 0.000 2.156 13 C HN 0.642 nan 8.230 nan 0.000 0.476 14 I N 7.098 127.758 120.570 0.149 0.000 2.433 14 I HA 0.477 4.647 4.170 -0.000 0.000 0.292 14 I C -0.283 175.920 176.117 0.142 0.000 1.001 14 I CA -0.426 60.953 61.300 0.132 0.000 1.119 14 I CB 1.526 39.604 38.000 0.129 0.000 1.289 14 I HN 0.488 nan 8.210 nan 0.000 0.438 15 I N 5.307 125.949 120.570 0.119 0.000 2.377 15 I HA 0.440 4.610 4.170 -0.000 0.000 0.293 15 I C -0.314 175.880 176.117 0.130 0.000 0.987 15 I CA -0.186 61.189 61.300 0.126 0.000 1.185 15 I CB 1.888 39.948 38.000 0.100 0.000 1.341 15 I HN 0.528 nan 8.210 nan 0.000 0.455 16 T N 4.759 119.408 114.554 0.158 0.000 2.900 16 T HA 0.346 4.696 4.350 -0.000 0.000 0.295 16 T C -0.387 174.406 174.700 0.156 0.000 1.044 16 T CA -0.817 61.382 62.100 0.165 0.000 0.995 16 T CB 2.258 71.228 68.868 0.171 0.000 1.072 16 T HN 0.456 nan 8.240 nan 0.000 0.473 17 K N 2.638 123.134 120.400 0.159 0.000 2.877 17 K HA 0.307 4.627 4.320 -0.000 0.000 0.176 17 K C -1.891 174.741 176.600 0.054 0.000 1.075 17 K CA -2.028 54.327 56.287 0.113 0.000 0.939 17 K CB 0.721 33.283 32.500 0.103 0.000 1.237 17 K HN 0.214 nan 8.250 nan 0.000 0.607 18 P HA 0.001 nan 4.420 nan 0.000 0.241 18 P C -0.214 176.898 177.300 -0.313 0.000 1.191 18 P CA 0.764 63.486 63.100 -0.630 0.000 0.771 18 P CB 0.530 31.803 31.700 -0.712 0.000 0.929 19 D N -1.596 118.749 120.400 -0.092 0.000 4.015 19 D HA 0.180 4.820 4.640 -0.000 0.000 0.190 19 D C 1.590 177.894 176.300 0.008 0.000 1.509 19 D CA -0.307 53.680 54.000 -0.021 0.000 1.262 19 D CB 0.134 40.945 40.800 0.018 0.000 1.462 19 D HN -0.410 nan 8.370 nan 0.000 0.500 20 R N -0.410 120.100 120.500 0.017 0.000 2.090 20 R HA 0.147 4.487 4.340 -0.000 0.000 0.219 20 R C 0.469 176.670 176.300 -0.163 0.000 1.100 20 R CA 0.689 56.726 56.100 -0.105 0.000 0.991 20 R CB -0.600 29.571 30.300 -0.215 0.000 0.893 20 R HN 0.491 nan 8.270 nan 0.000 0.443 21 H N 1.170 120.248 119.070 0.014 0.000 2.483 21 H HA 0.233 4.789 4.556 -0.000 0.000 0.338 21 H C -0.314 175.038 175.328 0.039 0.000 1.152 21 H CA -0.716 55.346 56.048 0.023 0.000 1.264 21 H CB 0.956 30.731 29.762 0.021 0.000 1.510 21 H HN 0.009 nan 8.280 nan 0.000 0.530 22 N N 1.958 120.756 118.700 0.164 0.000 2.452 22 N HA 0.139 4.879 4.740 -0.000 0.000 0.266 22 N C -0.628 174.966 175.510 0.141 0.000 1.175 22 N CA -0.116 53.009 53.050 0.125 0.000 0.945 22 N CB 0.743 39.285 38.487 0.093 0.000 1.063 22 N HN 0.183 nan 8.380 nan 0.000 0.472 23 L N 3.830 125.140 121.223 0.144 0.000 2.313 23 L HA 0.540 4.880 4.340 -0.000 0.000 0.283 23 L C -0.488 176.487 176.870 0.174 0.000 1.013 23 L CA -0.721 54.209 54.840 0.151 0.000 0.816 23 L CB 1.227 43.394 42.059 0.180 0.000 1.236 23 L HN 0.408 nan 8.230 nan 0.000 0.419 24 I N 2.362 123.024 120.570 0.153 0.000 2.382 24 I HA 0.385 4.555 4.170 -0.000 0.000 0.286 24 I C -0.260 175.963 176.117 0.177 0.000 1.002 24 I CA -0.167 61.230 61.300 0.161 0.000 1.135 24 I CB 1.949 40.035 38.000 0.144 0.000 1.288 24 I HN 0.519 nan 8.210 nan 0.000 0.448 25 T N 5.330 120.015 114.554 0.217 0.000 2.856 25 T HA 0.558 4.908 4.350 -0.000 0.000 0.283 25 T C -0.340 174.485 174.700 0.208 0.000 1.008 25 T CA -0.506 61.742 62.100 0.248 0.000 0.997 25 T CB 2.445 71.533 68.868 0.367 0.000 0.992 25 T HN 0.162 nan 8.240 nan 0.000 0.454 26 V N 3.224 123.252 119.914 0.190 0.000 2.495 26 V HA 0.543 4.663 4.120 -0.000 0.000 0.298 26 V C -0.441 175.713 176.094 0.099 0.000 1.031 26 V CA -0.695 61.687 62.300 0.137 0.000 0.871 26 V CB 1.871 33.758 31.823 0.108 0.000 0.988 26 V HN 0.712 nan 8.190 nan 0.000 0.432 27 V N 5.413 125.356 119.914 0.049 0.000 2.409 27 V HA 0.492 4.612 4.120 -0.000 0.000 0.291 27 V C -0.283 175.739 176.094 -0.121 0.000 1.020 27 V CA -0.644 61.590 62.300 -0.110 0.000 0.848 27 V CB 1.829 33.661 31.823 0.014 0.000 0.990 27 V HN 0.576 nan 8.190 nan 0.000 0.430 28 V N 4.797 124.592 119.914 -0.199 0.000 2.384 28 V HA 0.434 4.554 4.120 -0.000 0.000 0.287 28 V C 0.034 176.039 176.094 -0.149 0.000 1.020 28 V CA -0.545 61.669 62.300 -0.143 0.000 0.850 28 V CB 1.520 33.287 31.823 -0.092 0.000 0.987 28 V HN 0.935 nan 8.190 nan 0.000 0.436 29 E N 2.498 122.635 120.200 -0.107 0.000 2.222 29 E HA 0.696 5.046 4.350 -0.000 0.000 0.272 29 E C -0.238 176.332 176.600 -0.049 0.000 0.982 29 E CA -0.562 55.801 56.400 -0.062 0.000 0.842 29 E CB 2.171 31.866 29.700 -0.008 0.000 1.144 29 E HN 0.815 nan 8.360 nan 0.000 0.397 30 T N -1.130 113.405 114.554 -0.031 0.000 2.901 30 T HA 0.261 4.611 4.350 -0.000 0.000 0.293 30 T C 0.503 175.195 174.700 -0.013 0.000 1.084 30 T CA -0.900 61.185 62.100 -0.025 0.000 1.008 30 T CB 1.079 69.933 68.868 -0.024 0.000 1.170 30 T HN 0.171 nan 8.240 nan 0.000 0.509 31 N N 0.758 119.450 118.700 -0.013 0.000 2.453 31 N HA -0.042 4.698 4.740 -0.000 0.000 0.183 31 N C 1.176 176.684 175.510 -0.003 0.000 1.041 31 N CA 0.605 53.651 53.050 -0.007 0.000 0.900 31 N CB -0.119 38.363 38.487 -0.008 0.000 0.961 31 N HN 0.642 nan 8.380 nan 0.000 0.443 32 E N -0.906 119.292 120.200 -0.004 0.000 2.479 32 E HA 0.180 4.530 4.350 -0.000 0.000 0.193 32 E C 1.209 177.813 176.600 0.006 0.000 1.049 32 E CA 0.283 56.683 56.400 0.000 0.000 0.870 32 E CB -0.248 29.450 29.700 -0.003 0.000 0.944 32 E HN 0.259 nan 8.360 nan 0.000 0.492 33 G N 1.181 109.985 108.800 0.007 0.000 2.189 33 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.267 33 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.267 33 G C 0.452 175.365 174.900 0.022 0.000 0.975 33 G CA 0.519 45.629 45.100 0.016 0.000 0.644 33 G HN 0.238 nan 8.290 nan 0.000 0.537 34 V N 1.639 121.562 119.914 0.015 0.000 2.488 34 V HA 0.543 4.663 4.120 -0.000 0.000 0.277 34 V C 0.690 176.788 176.094 0.007 0.000 1.046 34 V CA 0.427 62.741 62.300 0.023 0.000 0.986 34 V CB 1.372 33.204 31.823 0.016 0.000 0.989 34 V HN 0.288 nan 8.190 nan 0.000 0.475 35 T N 3.962 118.531 114.554 0.024 0.000 2.823 35 T HA 0.656 5.006 4.350 -0.000 0.000 0.279 35 T C 0.359 174.994 174.700 -0.108 0.000 0.998 35 T CA -0.302 61.754 62.100 -0.074 0.000 0.994 35 T CB 1.683 70.504 68.868 -0.078 0.000 0.960 35 T HN 0.935 nan 8.240 nan 0.000 0.448 36 G N 1.394 110.042 108.800 -0.253 0.000 2.432 36 G HA2 0.733 4.693 3.960 -0.000 0.000 0.331 36 G HA3 0.733 4.693 3.960 -0.000 0.000 0.331 36 G C -1.384 173.237 174.900 -0.465 0.000 1.170 36 G CA -0.650 44.353 45.100 -0.161 0.000 0.943 36 G HN 0.570 nan 8.290 nan 0.000 0.483 37 F N -0.149 119.862 119.950 0.101 0.000 2.551 37 F HA 0.739 5.266 4.527 0.000 0.000 0.316 37 F C 0.680 176.550 175.800 0.117 0.000 1.089 37 F CA -0.593 57.478 58.000 0.117 0.000 0.915 37 F CB 2.902 41.980 39.000 0.129 0.000 1.186 37 F HN 0.745 nan 8.300 nan 0.000 0.456 38 G N -0.171 108.791 108.800 0.269 0.000 2.680 38 G HA2 0.540 4.500 3.960 -0.000 0.000 0.290 38 G HA3 0.540 4.500 3.960 -0.000 0.000 0.290 38 G C -2.190 172.813 174.900 0.172 0.000 1.355 38 G CA -0.887 44.331 45.100 0.197 0.000 0.903 38 G HN 0.880 nan 8.290 nan 0.000 0.474 39 C N 0.258 119.632 119.300 0.123 0.000 2.455 39 C HA 0.907 5.367 4.460 -0.000 0.000 0.320 39 C C 0.419 175.465 174.990 0.092 0.000 1.226 39 C CA 0.093 59.167 59.018 0.092 0.000 1.569 39 C CB 0.166 27.928 27.740 0.037 0.000 2.200 39 C HN 1.177 nan 8.230 nan 0.000 0.491 40 A N 3.544 126.424 122.820 0.100 0.000 2.355 40 A HA 0.900 5.220 4.320 -0.000 0.000 0.324 40 A C -0.119 177.524 177.584 0.100 0.000 1.117 40 A CA -0.231 51.865 52.037 0.099 0.000 0.785 40 A CB 1.202 20.273 19.000 0.119 0.000 1.254 40 A HN 1.277 nan 8.150 nan 0.000 0.453 41 T N -1.088 113.519 114.554 0.088 0.000 2.906 41 T HA 0.611 4.961 4.350 -0.000 0.000 0.302 41 T C -1.365 173.419 174.700 0.140 0.000 1.002 41 T CA -0.265 61.897 62.100 0.103 0.000 0.988 41 T CB 0.511 69.430 68.868 0.084 0.000 0.972 41 T HN 0.604 nan 8.240 nan 0.000 0.447 42 F N 3.722 123.685 119.950 0.021 0.000 2.931 42 F HA 0.404 4.930 4.527 -0.000 0.000 0.375 42 F C 1.016 176.831 175.800 0.023 0.000 1.243 42 F CA -1.715 56.290 58.000 0.007 0.000 1.206 42 F CB 1.831 40.840 39.000 0.015 0.000 1.643 42 F HN 0.662 nan 8.300 nan 0.000 0.593 43 Q N 1.912 121.889 119.800 0.295 0.000 2.096 43 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 43 Q C 1.204 177.232 176.000 0.045 0.000 0.982 43 Q CA 2.372 58.273 55.803 0.163 0.000 0.850 43 Q CB 0.185 29.034 28.738 0.185 0.000 0.901 43 Q HN 0.651 nan 8.270 nan 0.000 0.422 44 Q N -0.733 119.055 119.800 -0.020 0.000 2.389 44 Q HA 0.129 4.469 4.340 -0.000 0.000 0.204 44 Q C 0.071 175.864 176.000 -0.344 0.000 0.944 44 Q CA 0.719 56.432 55.803 -0.151 0.000 0.908 44 Q CB 0.585 29.260 28.738 -0.106 0.000 1.002 44 Q HN 0.093 nan 8.270 nan 0.000 0.493 45 R N -0.345 119.787 120.500 -0.613 0.000 2.718 45 R HA 0.241 4.581 4.340 -0.000 0.000 0.307 45 R C -2.281 173.833 176.300 -0.311 0.000 1.244 45 R CA -1.421 54.300 56.100 -0.631 0.000 1.348 45 R CB 0.492 30.068 30.300 -1.208 0.000 1.304 45 R HN 0.098 nan 8.270 nan 0.000 0.663 46 P HA -0.116 nan 4.420 nan 0.000 0.216 46 P C 1.339 178.652 177.300 0.021 0.000 1.153 46 P CA 1.114 64.217 63.100 0.005 0.000 0.858 46 P CB 0.327 32.040 31.700 0.021 0.000 0.789 47 L N -1.613 119.603 121.223 -0.012 0.000 2.179 47 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 47 L C 2.468 179.353 176.870 0.026 0.000 1.096 47 L CA 1.036 55.882 54.840 0.011 0.000 0.779 47 L CB -1.035 41.021 42.059 -0.005 0.000 0.922 47 L HN -0.071 nan 8.230 nan 0.000 0.443 48 A N 0.009 122.830 122.820 0.002 0.000 1.883 48 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 48 A C 2.326 179.975 177.584 0.108 0.000 1.186 48 A CA 1.956 54.020 52.037 0.043 0.000 0.624 48 A CB -0.816 18.186 19.000 0.003 0.000 0.822 48 A HN 0.184 nan 8.150 nan 0.000 0.444 49 V N 0.154 120.147 119.914 0.133 0.000 2.358 49 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 49 V C 2.559 178.728 176.094 0.125 0.000 1.047 49 V CA 2.407 64.804 62.300 0.162 0.000 1.035 49 V CB -0.620 31.323 31.823 0.200 0.000 0.658 49 V HN 0.751 nan 8.190 nan 0.000 0.452 50 K N -0.157 120.304 120.400 0.101 0.000 2.062 50 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 50 K C 2.143 178.787 176.600 0.073 0.000 1.051 50 K CA 1.807 58.146 56.287 0.086 0.000 0.941 50 K CB -0.327 32.218 32.500 0.075 0.000 0.719 50 K HN 0.456 nan 8.250 nan 0.000 0.440 51 T N 1.427 116.025 114.554 0.073 0.000 2.665 51 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 51 T C 1.670 176.437 174.700 0.111 0.000 1.035 51 T CA 1.818 63.959 62.100 0.069 0.000 1.151 51 T CB -0.255 68.662 68.868 0.082 0.000 0.862 51 T HN 0.240 nan 8.240 nan 0.000 0.438 52 M N 1.084 120.783 119.600 0.165 0.000 2.108 52 M HA -0.073 4.407 4.480 -0.000 0.000 0.261 52 M C 2.097 178.500 176.300 0.171 0.000 1.066 52 M CA 1.428 56.865 55.300 0.228 0.000 1.107 52 M CB -0.696 32.009 32.600 0.175 0.000 1.356 52 M HN 0.092 nan 8.290 nan 0.000 0.406 53 V N 0.217 120.197 119.914 0.110 0.000 2.323 53 V HA -0.234 3.886 4.120 -0.000 0.000 0.244 53 V C 1.980 178.097 176.094 0.037 0.000 1.041 53 V CA 1.986 64.331 62.300 0.076 0.000 1.025 53 V CB -0.956 30.909 31.823 0.071 0.000 0.656 53 V HN 0.392 nan 8.190 nan 0.000 0.451 54 D N -0.333 120.078 120.400 0.019 0.000 2.077 54 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 54 D C 2.291 178.538 176.300 -0.089 0.000 0.986 54 D CA 1.015 55.001 54.000 -0.023 0.000 0.829 54 D CB -0.274 40.518 40.800 -0.012 0.000 0.983 54 D HN 0.267 nan 8.370 nan 0.000 0.453 55 E N -0.375 119.724 120.200 -0.168 0.000 2.051 55 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 55 E C 1.962 178.262 176.600 -0.500 0.000 0.991 55 E CA 1.088 57.218 56.400 -0.450 0.000 0.799 55 E CB -0.079 29.145 29.700 -0.794 0.000 0.748 55 E HN 0.439 nan 8.360 nan 0.000 0.449 56 Y N -0.879 119.430 120.300 0.015 0.000 2.609 56 Y HA 0.195 4.745 4.550 -0.000 0.000 0.281 56 Y C 2.216 178.118 175.900 0.004 0.000 1.132 56 Y CA -0.043 58.065 58.100 0.012 0.000 1.264 56 Y CB -0.274 38.198 38.460 0.021 0.000 1.325 56 Y HN -0.123 nan 8.280 nan 0.000 0.514 57 L N 0.241 121.551 121.223 0.144 0.000 2.056 57 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 57 L C 2.170 179.059 176.870 0.032 0.000 1.078 57 L CA 1.469 56.355 54.840 0.076 0.000 0.749 57 L CB -0.516 41.580 42.059 0.062 0.000 0.901 57 L HN 0.186 nan 8.230 nan 0.000 0.433 58 K N 0.059 120.463 120.400 0.007 0.000 2.044 58 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 58 K C -0.402 176.184 176.600 -0.024 0.000 1.049 58 K CA 1.577 57.848 56.287 -0.027 0.000 0.927 58 K CB -1.287 31.182 32.500 -0.051 0.000 0.713 58 K HN 0.356 nan 8.250 nan 0.000 0.443 59 P HA -0.097 nan 4.420 nan 0.000 0.225 59 P C 1.391 178.692 177.300 0.001 0.000 1.156 59 P CA 1.098 64.191 63.100 -0.011 0.000 0.787 59 P CB -0.308 31.387 31.700 -0.009 0.000 0.802 60 I N -5.064 115.514 120.570 0.013 0.000 3.684 60 I HA 0.121 4.291 4.170 -0.000 0.000 0.304 60 I C 1.519 177.637 176.117 0.001 0.000 1.278 60 I CA 0.447 61.754 61.300 0.011 0.000 1.272 60 I CB -0.460 37.553 38.000 0.021 0.000 1.029 60 I HN -0.189 nan 8.210 nan 0.000 0.458 61 L N 0.466 121.685 121.223 -0.006 0.000 2.547 61 L HA 0.319 4.659 4.340 -0.000 0.000 0.218 61 L C 1.044 177.900 176.870 -0.023 0.000 1.048 61 L CA -0.197 54.635 54.840 -0.013 0.000 0.859 61 L CB 0.315 42.365 42.059 -0.014 0.000 1.128 61 L HN 0.068 nan 8.230 nan 0.000 0.483 62 I N 1.407 121.960 120.570 -0.029 0.000 2.845 62 I HA -0.039 4.131 4.170 -0.000 0.000 0.296 62 I C 1.541 177.644 176.117 -0.023 0.000 1.216 62 I CA 1.577 62.858 61.300 -0.032 0.000 1.438 62 I CB -0.507 37.473 38.000 -0.033 0.000 1.342 62 I HN 0.502 nan 8.210 nan 0.000 0.577 63 G N 5.122 113.908 108.800 -0.024 0.000 2.253 63 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.251 63 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.251 63 G C 0.543 175.433 174.900 -0.018 0.000 0.998 63 G CA -0.224 44.865 45.100 -0.018 0.000 0.621 63 G HN 0.500 nan 8.290 nan 0.000 0.524 64 K N 0.714 121.103 120.400 -0.019 0.000 2.168 64 K HA 0.323 4.643 4.320 -0.000 0.000 0.258 64 K C 0.067 176.654 176.600 -0.021 0.000 1.010 64 K CA -0.773 55.504 56.287 -0.017 0.000 0.929 64 K CB 0.567 33.058 32.500 -0.014 0.000 0.998 64 K HN 0.250 nan 8.250 nan 0.000 0.479 65 N N 1.027 119.715 118.700 -0.021 0.000 2.415 65 N HA 0.094 4.834 4.740 -0.000 0.000 0.246 65 N C 0.414 175.902 175.510 -0.037 0.000 1.078 65 N CA -0.011 53.023 53.050 -0.027 0.000 0.942 65 N CB 0.858 39.331 38.487 -0.024 0.000 1.140 65 N HN 0.510 nan 8.380 nan 0.000 0.501 66 A N 4.021 126.815 122.820 -0.044 0.000 2.131 66 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 66 A C 1.770 179.299 177.584 -0.092 0.000 1.158 66 A CA 1.275 53.276 52.037 -0.061 0.000 0.665 66 A CB -0.615 18.351 19.000 -0.058 0.000 0.795 66 A HN 0.890 nan 8.150 nan 0.000 0.460 67 N N 0.431 119.082 118.700 -0.082 0.000 2.149 67 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 67 N C -0.242 175.190 175.510 -0.131 0.000 1.019 67 N CA 0.837 53.825 53.050 -0.103 0.000 0.857 67 N CB -0.144 38.301 38.487 -0.069 0.000 0.997 67 N HN 0.389 nan 8.380 nan 0.000 0.426 68 N N 1.556 120.200 118.700 -0.094 0.000 3.034 68 N HA 0.139 4.879 4.740 -0.000 0.000 0.265 68 N C 0.685 176.141 175.510 -0.089 0.000 1.166 68 N CA 0.026 53.027 53.050 -0.081 0.000 1.081 68 N CB 0.473 38.939 38.487 -0.035 0.000 1.378 68 N HN 0.280 nan 8.380 nan 0.000 0.520 69 I N 0.629 121.086 120.570 -0.188 0.000 2.179 69 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 69 I C 2.494 178.602 176.117 -0.016 0.000 1.088 69 I CA 1.249 62.426 61.300 -0.205 0.000 1.357 69 I CB 0.019 37.658 38.000 -0.602 0.000 1.051 69 I HN 0.433 nan 8.210 nan 0.000 0.409 70 E N 1.060 121.261 120.200 0.003 0.000 2.152 70 E HA -0.271 4.079 4.350 -0.000 0.000 0.192 70 E C 1.520 178.236 176.600 0.194 0.000 0.983 70 E CA 1.647 58.131 56.400 0.140 0.000 0.818 70 E CB -0.469 29.289 29.700 0.097 0.000 0.758 70 E HN 0.461 nan 8.360 nan 0.000 0.467 71 D N 1.281 121.742 120.400 0.102 0.000 2.123 71 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 71 D C 2.229 178.589 176.300 0.100 0.000 0.992 71 D CA 1.370 55.425 54.000 0.091 0.000 0.833 71 D CB -0.142 40.684 40.800 0.043 0.000 0.954 71 D HN 0.226 nan 8.370 nan 0.000 0.455 72 L N -0.973 120.304 121.223 0.091 0.000 2.093 72 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 72 L C 2.169 179.120 176.870 0.134 0.000 1.085 72 L CA 0.771 55.660 54.840 0.082 0.000 0.755 72 L CB -0.481 41.610 42.059 0.053 0.000 0.904 72 L HN 0.291 nan 8.230 nan 0.000 0.435 73 W N 1.193 122.505 121.300 0.021 0.000 2.355 73 W HA -0.268 4.392 4.660 -0.000 0.000 0.309 73 W C 2.751 179.300 176.519 0.050 0.000 1.206 73 W CA 1.815 59.190 57.345 0.049 0.000 1.284 73 W CB -0.103 29.403 29.460 0.076 0.000 1.145 73 W HN 0.110 nan 8.180 nan 0.000 0.502 74 Q N -0.119 119.828 119.800 0.245 0.000 2.124 74 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 74 Q C 2.366 178.327 176.000 -0.066 0.000 0.977 74 Q CA 2.316 58.164 55.803 0.075 0.000 0.850 74 Q CB -0.595 28.260 28.738 0.195 0.000 0.901 74 Q HN 0.317 nan 8.270 nan 0.000 0.429 75 M N -0.729 118.859 119.600 -0.020 0.000 2.132 75 M HA -0.136 4.344 4.480 -0.000 0.000 0.263 75 M C 1.773 178.024 176.300 -0.081 0.000 1.065 75 M CA 1.513 56.791 55.300 -0.036 0.000 1.122 75 M CB -0.092 32.505 32.600 -0.006 0.000 1.365 75 M HN 0.414 nan 8.290 nan 0.000 0.411 76 M N -0.386 119.145 119.600 -0.116 0.000 2.132 76 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 76 M C 2.049 178.229 176.300 -0.200 0.000 1.065 76 M CA 1.208 56.432 55.300 -0.126 0.000 1.122 76 M CB -0.341 32.190 32.600 -0.116 0.000 1.365 76 M HN 0.228 nan 8.290 nan 0.000 0.411 77 M N 0.066 119.445 119.600 -0.369 0.000 2.213 77 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 77 M C 1.992 178.164 176.300 -0.214 0.000 1.062 77 M CA 1.370 56.420 55.300 -0.417 0.000 1.105 77 M CB -0.978 31.149 32.600 -0.788 0.000 1.385 77 M HN 0.326 nan 8.290 nan 0.000 0.417 78 V N -3.544 116.283 119.914 -0.145 0.000 3.621 78 V HA 0.147 4.267 4.120 -0.000 0.000 0.285 78 V C 1.565 177.645 176.094 -0.024 0.000 1.346 78 V CA 0.369 62.633 62.300 -0.059 0.000 1.104 78 V CB -0.818 30.991 31.823 -0.022 0.000 0.913 78 V HN 0.384 nan 8.190 nan 0.000 0.432 79 N N 1.881 120.554 118.700 -0.045 0.000 2.309 79 N HA -0.038 4.702 4.740 -0.000 0.000 0.182 79 N C 1.482 176.982 175.510 -0.017 0.000 1.018 79 N CA 1.482 54.516 53.050 -0.026 0.000 0.876 79 N CB 0.182 38.653 38.487 -0.026 0.000 0.972 79 N HN 0.641 nan 8.380 nan 0.000 0.434 80 A N -0.348 122.462 122.820 -0.017 0.000 2.370 80 A HA 0.050 4.370 4.320 -0.000 0.000 0.238 80 A C 0.605 178.209 177.584 0.034 0.000 1.289 80 A CA -0.268 51.760 52.037 -0.015 0.000 0.885 80 A CB -0.432 18.551 19.000 -0.027 0.000 0.961 80 A HN 0.503 nan 8.150 nan 0.000 0.499 81 Y N -1.304 118.902 120.300 -0.156 0.000 2.702 81 Y HA -0.330 4.220 4.550 -0.000 0.000 0.483 81 Y C 0.260 176.051 175.900 -0.182 0.000 1.047 81 Y CA 1.733 59.686 58.100 -0.245 0.000 3.051 81 Y CB -1.442 36.753 38.460 -0.442 0.000 0.991 81 Y HN 0.456 nan 8.280 nan 0.000 0.583 82 W N 4.938 126.069 121.300 -0.282 0.000 2.170 82 W HA 0.397 5.057 4.660 -0.000 0.000 0.342 82 W C 0.965 177.374 176.519 -0.183 0.000 1.294 82 W CA 1.002 58.171 57.345 -0.295 0.000 1.246 82 W CB 0.112 29.457 29.460 -0.191 0.000 1.156 82 W HN 0.443 nan 8.180 nan 0.000 0.572 83 R N 1.058 121.605 120.500 0.078 0.000 2.766 83 R HA 0.395 4.735 4.340 -0.000 0.000 0.270 83 R C -0.571 175.720 176.300 -0.015 0.000 1.035 83 R CA -1.115 54.983 56.100 -0.003 0.000 0.911 83 R CB 0.624 30.894 30.300 -0.051 0.000 1.243 83 R HN 0.415 nan 8.270 nan 0.000 0.460 84 N N -0.708 117.978 118.700 -0.025 0.000 2.471 84 N HA -0.109 4.631 4.740 -0.000 0.000 0.286 84 N C -0.989 174.513 175.510 -0.013 0.000 1.327 84 N CA 1.525 54.567 53.050 -0.013 0.000 0.657 84 N CB -0.740 37.727 38.487 -0.032 0.000 0.901 84 N HN 0.964 nan 8.380 nan 0.000 0.531 85 G N 0.316 109.114 108.800 -0.004 0.000 2.623 85 G HA2 0.591 4.551 3.960 -0.000 0.000 0.290 85 G HA3 0.591 4.551 3.960 -0.000 0.000 0.290 85 G C -2.336 172.546 174.900 -0.031 0.000 1.437 85 G CA -0.772 44.322 45.100 -0.011 0.000 0.798 85 G HN 0.039 nan 8.290 nan 0.000 0.488 86 P HA 0.020 nan 4.420 nan 0.000 0.225 86 P C 1.747 178.929 177.300 -0.197 0.000 1.156 86 P CA 0.553 63.472 63.100 -0.301 0.000 0.787 86 P CB 0.355 31.668 31.700 -0.645 0.000 0.802 87 V N 0.294 120.246 119.914 0.062 0.000 2.300 87 V HA -0.147 3.973 4.120 -0.000 0.000 0.241 87 V C 2.637 178.794 176.094 0.105 0.000 1.034 87 V CA 1.259 63.675 62.300 0.193 0.000 1.021 87 V CB -1.049 30.906 31.823 0.219 0.000 0.662 87 V HN -0.058 nan 8.190 nan 0.000 0.458 88 I N 0.947 121.555 120.570 0.064 0.000 2.163 88 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 88 I C 2.377 178.511 176.117 0.029 0.000 1.085 88 I CA 1.765 63.088 61.300 0.039 0.000 1.347 88 I CB -0.584 37.422 38.000 0.010 0.000 1.044 88 I HN 0.352 nan 8.210 nan 0.000 0.408 89 N N 0.849 119.561 118.700 0.020 0.000 2.120 89 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 89 N C 1.603 177.147 175.510 0.057 0.000 1.024 89 N CA 1.072 54.147 53.050 0.042 0.000 0.852 89 N CB -0.556 37.968 38.487 0.061 0.000 1.003 89 N HN 0.339 nan 8.380 nan 0.000 0.424 90 N N 0.802 119.518 118.700 0.026 0.000 2.084 90 N HA -0.084 4.656 4.740 -0.000 0.000 0.190 90 N C 1.592 177.153 175.510 0.085 0.000 1.030 90 N CA 1.278 54.354 53.050 0.042 0.000 0.849 90 N CB -0.175 38.326 38.487 0.023 0.000 1.012 90 N HN 0.219 nan 8.380 nan 0.000 0.423 91 A N 1.437 124.312 122.820 0.092 0.000 1.883 91 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 91 A C 2.308 179.947 177.584 0.092 0.000 1.186 91 A CA 1.080 53.176 52.037 0.098 0.000 0.624 91 A CB -0.672 18.387 19.000 0.099 0.000 0.822 91 A HN 0.241 nan 8.150 nan 0.000 0.444 92 I N 0.424 121.041 120.570 0.079 0.000 2.315 92 I HA -0.225 3.944 4.170 -0.000 0.000 0.248 92 I C 2.913 179.127 176.117 0.162 0.000 1.117 92 I CA 1.409 62.761 61.300 0.086 0.000 1.404 92 I CB -0.215 37.791 38.000 0.011 0.000 1.071 92 I HN 0.544 nan 8.210 nan 0.000 0.419 93 S N 1.033 116.833 115.700 0.166 0.000 2.368 93 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 93 S C 2.240 176.936 174.600 0.160 0.000 1.030 93 S CA 1.231 59.542 58.200 0.186 0.000 0.999 93 S CB -1.307 61.972 63.200 0.132 0.000 0.844 93 S HN 0.463 nan 8.310 nan 0.000 0.459 94 G N 1.431 110.311 108.800 0.133 0.000 2.476 94 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 94 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 94 G C 1.480 176.458 174.900 0.131 0.000 1.164 94 G CA 1.247 46.425 45.100 0.130 0.000 0.768 94 G HN 0.512 nan 8.290 nan 0.000 0.560 95 V N 1.112 121.100 119.914 0.122 0.000 2.295 95 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 95 V C 2.445 178.628 176.094 0.148 0.000 1.049 95 V CA 2.351 64.715 62.300 0.106 0.000 1.024 95 V CB -0.577 31.297 31.823 0.087 0.000 0.648 95 V HN 0.476 nan 8.190 nan 0.000 0.447 96 D N -0.396 120.134 120.400 0.217 0.000 2.104 96 D HA -0.228 4.412 4.640 -0.000 0.000 0.194 96 D C 2.193 178.694 176.300 0.335 0.000 0.994 96 D CA 1.840 56.020 54.000 0.300 0.000 0.830 96 D CB -0.139 40.906 40.800 0.408 0.000 0.959 96 D HN 0.352 nan 8.370 nan 0.000 0.452 97 M N -0.090 119.670 119.600 0.268 0.000 2.117 97 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 97 M C 2.393 178.842 176.300 0.248 0.000 1.065 97 M CA 1.427 56.884 55.300 0.262 0.000 1.114 97 M CB -0.279 32.428 32.600 0.178 0.000 1.361 97 M HN 0.125 nan 8.290 nan 0.000 0.408 98 A N 0.713 123.641 122.820 0.179 0.000 1.940 98 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 98 A C 2.087 179.726 177.584 0.093 0.000 1.176 98 A CA 1.469 53.577 52.037 0.119 0.000 0.631 98 A CB -0.953 18.075 19.000 0.045 0.000 0.814 98 A HN 0.478 nan 8.150 nan 0.000 0.446 99 L N -2.908 118.363 121.223 0.081 0.000 2.056 99 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 99 L C 2.593 179.443 176.870 -0.033 0.000 1.078 99 L CA 1.171 56.003 54.840 -0.014 0.000 0.749 99 L CB -0.642 41.370 42.059 -0.079 0.000 0.901 99 L HN 0.573 nan 8.230 nan 0.000 0.433 100 W N 0.900 122.224 121.300 0.040 0.000 2.338 100 W HA -0.241 4.419 4.660 -0.000 0.000 0.304 100 W C 2.449 178.960 176.519 -0.015 0.000 1.212 100 W CA 1.412 58.771 57.345 0.024 0.000 1.264 100 W CB -0.340 29.156 29.460 0.060 0.000 1.142 100 W HN 0.229 nan 8.180 nan 0.000 0.512 101 D N 0.316 120.854 120.400 0.231 0.000 2.104 101 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 101 D C 1.917 178.275 176.300 0.097 0.000 0.994 101 D CA 1.685 55.775 54.000 0.149 0.000 0.830 101 D CB -0.441 40.477 40.800 0.197 0.000 0.959 101 D HN 0.100 nan 8.370 nan 0.000 0.452 102 I N 0.196 120.808 120.570 0.070 0.000 2.118 102 I HA -0.293 3.877 4.170 -0.000 0.000 0.241 102 I C 2.585 178.705 176.117 0.005 0.000 1.070 102 I CA 1.335 62.650 61.300 0.025 0.000 1.327 102 I CB -0.291 37.703 38.000 -0.011 0.000 1.034 102 I HN 0.066 nan 8.210 nan 0.000 0.405 103 K N 0.918 121.308 120.400 -0.017 0.000 2.032 103 K HA -0.242 4.078 4.320 -0.000 0.000 0.209 103 K C 2.159 178.758 176.600 -0.002 0.000 1.048 103 K CA 1.729 57.995 56.287 -0.035 0.000 0.927 103 K CB -0.168 32.267 32.500 -0.109 0.000 0.712 103 K HN 0.341 nan 8.250 nan 0.000 0.441 104 A N 1.292 124.122 122.820 0.017 0.000 1.902 104 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 104 A C 1.891 179.458 177.584 -0.028 0.000 1.181 104 A CA 1.781 53.796 52.037 -0.036 0.000 0.623 104 A CB -0.353 18.583 19.000 -0.107 0.000 0.818 104 A HN 0.330 nan 8.150 nan 0.000 0.443 105 K N -0.323 120.078 120.400 0.002 0.000 2.026 105 K HA -0.025 4.295 4.320 -0.000 0.000 0.208 105 K C 1.837 178.440 176.600 0.004 0.000 1.048 105 K CA 1.383 57.678 56.287 0.013 0.000 0.929 105 K CB -0.413 32.112 32.500 0.042 0.000 0.713 105 K HN 0.452 nan 8.250 nan 0.000 0.439 106 L N 0.604 121.827 121.223 -0.000 0.000 2.079 106 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 106 L C 2.454 179.319 176.870 -0.009 0.000 1.081 106 L CA 1.113 55.950 54.840 -0.005 0.000 0.752 106 L CB -0.547 41.504 42.059 -0.013 0.000 0.896 106 L HN 0.220 nan 8.230 nan 0.000 0.433 107 A N -0.180 122.632 122.820 -0.014 0.000 2.168 107 A HA 0.108 4.428 4.320 -0.000 0.000 0.215 107 A C 1.772 179.345 177.584 -0.019 0.000 1.152 107 A CA 0.812 52.839 52.037 -0.017 0.000 0.716 107 A CB -0.808 18.179 19.000 -0.022 0.000 0.794 107 A HN 0.545 nan 8.150 nan 0.000 0.465 108 G N -0.542 108.248 108.800 -0.017 0.000 2.305 108 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.287 108 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.287 108 G C 0.072 174.953 174.900 -0.032 0.000 1.036 108 G CA 0.942 46.032 45.100 -0.016 0.000 0.887 108 G HN 1.283 nan 8.290 nan 0.000 0.505 109 M N -2.836 116.729 119.600 -0.058 0.000 2.550 109 M HA 0.720 5.200 4.480 -0.000 0.000 0.292 109 M C -3.043 173.164 176.300 -0.154 0.000 1.221 109 M CA -2.715 52.527 55.300 -0.097 0.000 0.873 109 M CB 1.762 34.297 32.600 -0.108 0.000 1.727 109 M HN -0.144 nan 8.290 nan 0.000 0.459 110 P HA -0.020 nan 4.420 nan 0.000 0.266 110 P C 0.628 177.610 177.300 -0.531 0.000 1.193 110 P CA -0.291 62.648 63.100 -0.268 0.000 0.770 110 P CB 0.406 31.957 31.700 -0.247 0.000 0.836 111 L N 3.890 124.643 121.223 -0.782 0.000 2.021 111 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 111 L C 2.404 178.578 176.870 -1.160 0.000 1.074 111 L CA 2.028 56.287 54.840 -0.969 0.000 0.760 111 L CB -1.468 39.957 42.059 -1.056 0.000 0.889 111 L HN 0.558 nan 8.230 nan 0.000 0.433 112 H N -1.921 116.731 119.070 -0.697 0.000 2.489 112 H HA -0.107 4.449 4.556 -0.000 0.000 0.293 112 H C 1.581 176.790 175.328 -0.198 0.000 1.066 112 H CA 1.216 57.080 56.048 -0.307 0.000 1.305 112 H CB -0.316 29.591 29.762 0.243 0.000 1.386 112 H HN 0.505 nan 8.280 nan 0.000 0.551 113 Q N 0.419 119.880 119.800 -0.565 0.000 2.187 113 Q HA 0.002 4.342 4.340 -0.000 0.000 0.199 113 Q C 2.529 178.424 176.000 -0.175 0.000 0.957 113 Q CA 0.293 55.942 55.803 -0.256 0.000 0.857 113 Q CB -0.137 28.445 28.738 -0.260 0.000 0.929 113 Q HN 0.367 nan 8.270 nan 0.000 0.453 114 L N 0.136 121.188 121.223 -0.285 0.000 2.046 114 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 114 L C 1.863 178.719 176.870 -0.024 0.000 1.077 114 L CA 1.481 56.236 54.840 -0.140 0.000 0.747 114 L CB -0.568 41.399 42.059 -0.154 0.000 0.896 114 L HN 0.024 nan 8.230 nan 0.000 0.432 115 F N 0.097 119.929 119.950 -0.196 0.000 2.216 115 F HA 0.101 4.628 4.527 -0.000 0.000 0.300 115 F C 2.155 177.793 175.800 -0.270 0.000 1.085 115 F CA 0.902 58.659 58.000 -0.406 0.000 1.326 115 F CB -0.959 37.433 39.000 -1.014 0.000 1.027 115 F HN 0.261 nan 8.300 nan 0.000 0.497 116 G N -1.754 107.090 108.800 0.072 0.000 2.559 116 G HA2 0.332 4.292 3.960 -0.000 0.000 0.202 116 G HA3 0.332 4.292 3.960 -0.000 0.000 0.202 116 G C 0.473 175.550 174.900 0.295 0.000 0.992 116 G CA -0.148 45.086 45.100 0.222 0.000 0.764 116 G HN 0.980 nan 8.290 nan 0.000 0.525 117 G N -0.568 108.431 108.800 0.332 0.000 2.408 117 G HA2 0.264 4.224 3.960 -0.000 0.000 0.682 117 G HA3 0.264 4.224 3.960 -0.000 0.000 0.682 117 G C -0.741 174.454 174.900 0.492 0.000 1.303 117 G CA -0.301 45.013 45.100 0.357 0.000 0.966 117 G HN 0.578 nan 8.290 nan 0.000 0.560 118 K N 0.012 120.610 120.400 0.331 0.000 2.205 118 K HA 0.530 4.850 4.320 -0.000 0.000 0.279 118 K C 0.803 177.472 176.600 0.115 0.000 1.027 118 K CA -0.166 56.248 56.287 0.212 0.000 0.932 118 K CB 1.432 34.011 32.500 0.132 0.000 1.032 118 K HN 0.323 nan 8.250 nan 0.000 0.466 119 S N 2.244 117.971 115.700 0.044 0.000 2.524 119 S HA 0.005 4.475 4.470 -0.000 0.000 0.216 119 S C 0.175 174.757 174.600 -0.031 0.000 0.987 119 S CA 0.189 58.384 58.200 -0.008 0.000 0.909 119 S CB 0.053 63.214 63.200 -0.064 0.000 0.781 119 S HN 0.650 nan 8.310 nan 0.000 0.521 120 R N -0.563 119.920 120.500 -0.029 0.000 2.712 120 R HA 0.374 4.714 4.340 -0.000 0.000 0.272 120 R C -1.354 174.906 176.300 -0.068 0.000 1.032 120 R CA -0.717 55.350 56.100 -0.054 0.000 0.874 120 R CB 0.245 30.501 30.300 -0.072 0.000 1.256 120 R HN -0.222 nan 8.270 nan 0.000 0.468 121 D N 0.006 120.351 120.400 -0.093 0.000 2.234 121 D HA 0.154 4.794 4.640 -0.000 0.000 0.205 121 D C 0.259 176.414 176.300 -0.242 0.000 0.962 121 D CA 1.535 55.476 54.000 -0.098 0.000 0.855 121 D CB 0.507 41.269 40.800 -0.063 0.000 0.951 121 D HN 0.586 nan 8.370 nan 0.000 0.500 122 A N -0.163 122.465 122.820 -0.320 0.000 2.608 122 A HA 0.548 4.868 4.320 -0.000 0.000 0.292 122 A C -1.766 175.729 177.584 -0.149 0.000 1.066 122 A CA -0.626 51.115 52.037 -0.493 0.000 0.676 122 A CB 1.356 19.729 19.000 -1.045 0.000 1.277 122 A HN 0.002 nan 8.150 nan 0.000 0.413 123 I N 1.413 121.940 120.570 -0.072 0.000 2.441 123 I HA 0.664 4.834 4.170 -0.000 0.000 0.295 123 I C -2.440 173.672 176.117 -0.009 0.000 0.994 123 I CA -2.307 58.994 61.300 0.001 0.000 1.144 123 I CB 2.096 40.075 38.000 -0.035 0.000 1.314 123 I HN 0.379 nan 8.210 nan 0.000 0.445 124 P HA 0.208 nan 4.420 nan 0.000 0.272 124 P C -1.259 175.847 177.300 -0.322 0.000 1.230 124 P CA -0.141 62.679 63.100 -0.467 0.000 0.788 124 P CB 0.606 32.022 31.700 -0.473 0.000 0.949 125 V N 2.340 122.077 119.914 -0.296 0.000 2.555 125 V HA 0.409 4.529 4.120 -0.000 0.000 0.302 125 V C -0.410 175.590 176.094 -0.158 0.000 1.038 125 V CA -0.601 61.596 62.300 -0.172 0.000 0.887 125 V CB 1.148 32.963 31.823 -0.013 0.000 0.991 125 V HN 0.490 nan 8.190 nan 0.000 0.434 126 Y N 1.851 121.952 120.300 -0.331 0.000 2.457 126 Y HA 0.881 5.431 4.550 -0.000 0.000 0.333 126 Y C 0.323 175.831 175.900 -0.655 0.000 1.119 126 Y CA -0.578 57.257 58.100 -0.443 0.000 1.143 126 Y CB 1.502 39.693 38.460 -0.448 0.000 1.230 126 Y HN 0.721 nan 8.280 nan 0.000 0.469 127 T N -1.063 113.024 114.554 -0.778 0.000 2.844 127 T HA 0.501 4.851 4.350 -0.000 0.000 0.274 127 T C -1.110 173.046 174.700 -0.906 0.000 0.991 127 T CA -0.984 60.431 62.100 -1.143 0.000 0.983 127 T CB 1.234 68.859 68.868 -2.071 0.000 1.310 127 T HN 0.801 nan 8.240 nan 0.000 0.596 128 H N -0.155 118.602 119.070 -0.523 0.000 2.727 128 H HA 0.619 5.175 4.556 -0.000 0.000 0.330 128 H C -1.026 174.300 175.328 -0.003 0.000 0.986 128 H CA -0.788 55.170 56.048 -0.150 0.000 1.251 128 H CB 1.451 31.193 29.762 -0.033 0.000 1.493 128 H HN 0.905 nan 8.280 nan 0.000 0.515 129 A N 3.512 126.391 122.820 0.099 0.000 2.399 129 A HA 0.437 4.757 4.320 -0.000 0.000 0.327 129 A C -0.132 177.454 177.584 0.003 0.000 1.367 129 A CA -0.576 51.545 52.037 0.141 0.000 0.842 129 A CB 0.329 19.404 19.000 0.124 0.000 1.142 129 A HN 0.549 nan 8.150 nan 0.000 0.495 130 T N 1.500 116.006 114.554 -0.080 0.000 2.792 130 T HA 0.680 5.030 4.350 -0.000 0.000 0.280 130 T C -0.218 174.201 174.700 -0.468 0.000 0.990 130 T CA -0.298 61.598 62.100 -0.341 0.000 0.960 130 T CB 1.296 69.807 68.868 -0.594 0.000 0.939 130 T HN 0.742 nan 8.240 nan 0.000 0.439 131 S N 1.130 116.607 115.700 -0.372 0.000 2.596 131 S HA 0.384 4.854 4.470 -0.000 0.000 0.270 131 S C -0.511 174.068 174.600 -0.034 0.000 1.155 131 S CA -0.641 57.470 58.200 -0.149 0.000 0.827 131 S CB 1.631 64.814 63.200 -0.028 0.000 1.130 131 S HN 0.533 nan 8.310 nan 0.000 0.467 132 D N 1.266 121.761 120.400 0.157 0.000 2.349 132 D HA 0.180 4.820 4.640 -0.000 0.000 0.215 132 D C 0.680 177.009 176.300 0.050 0.000 1.016 132 D CA 0.901 54.987 54.000 0.144 0.000 0.870 132 D CB 0.377 41.300 40.800 0.206 0.000 0.917 132 D HN 0.662 nan 8.370 nan 0.000 0.524 133 T N -3.819 110.736 114.554 0.002 0.000 2.906 133 T HA 0.285 4.635 4.350 -0.000 0.000 0.295 133 T C 1.108 175.718 174.700 -0.149 0.000 1.075 133 T CA -0.735 61.332 62.100 -0.054 0.000 1.005 133 T CB 1.704 70.547 68.868 -0.041 0.000 1.136 133 T HN -0.378 nan 8.240 nan 0.000 0.498 134 M N 0.679 120.146 119.600 -0.222 0.000 2.117 134 M HA -0.012 4.468 4.480 -0.000 0.000 0.262 134 M C 2.097 177.954 176.300 -0.739 0.000 1.065 134 M CA 1.509 56.527 55.300 -0.471 0.000 1.114 134 M CB -1.416 30.917 32.600 -0.446 0.000 1.361 134 M HN 0.742 nan 8.290 nan 0.000 0.408 135 E N 0.030 119.970 120.200 -0.432 0.000 2.086 135 E HA -0.158 4.192 4.350 -0.000 0.000 0.200 135 E C 2.092 178.615 176.600 -0.129 0.000 1.012 135 E CA 1.747 58.012 56.400 -0.224 0.000 0.812 135 E CB -0.847 28.824 29.700 -0.049 0.000 0.743 135 E HN 0.601 nan 8.360 nan 0.000 0.453 136 G N 0.657 109.394 108.800 -0.106 0.000 2.432 136 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 136 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 136 G C 1.764 176.637 174.900 -0.044 0.000 1.135 136 G CA 0.560 45.636 45.100 -0.040 0.000 0.767 136 G HN 0.216 nan 8.290 nan 0.000 0.550 137 I N -0.497 120.004 120.570 -0.114 0.000 2.286 137 I HA -0.110 4.060 4.170 -0.000 0.000 0.245 137 I C 2.367 178.544 176.117 0.100 0.000 1.104 137 I CA 0.643 61.913 61.300 -0.049 0.000 1.397 137 I CB -0.218 37.727 38.000 -0.092 0.000 1.072 137 I HN 0.071 nan 8.210 nan 0.000 0.417 138 Y N 1.171 121.516 120.300 0.076 0.000 2.128 138 Y HA -0.287 4.263 4.550 -0.000 0.000 0.284 138 Y C 2.293 178.218 175.900 0.043 0.000 1.154 138 Y CA 1.102 59.288 58.100 0.143 0.000 1.149 138 Y CB -1.359 37.196 38.460 0.158 0.000 0.976 138 Y HN 0.254 nan 8.280 nan 0.000 0.505 139 D N -0.291 120.211 120.400 0.170 0.000 2.123 139 D HA -0.160 4.480 4.640 -0.000 0.000 0.196 139 D C 2.258 178.511 176.300 -0.078 0.000 0.992 139 D CA 1.200 55.225 54.000 0.041 0.000 0.833 139 D CB -0.335 40.477 40.800 0.020 0.000 0.954 139 D HN 0.187 nan 8.370 nan 0.000 0.455 140 L N -0.130 121.038 121.223 -0.091 0.000 2.027 140 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 140 L C 2.400 179.088 176.870 -0.302 0.000 1.074 140 L CA 0.512 55.203 54.840 -0.248 0.000 0.745 140 L CB -0.395 41.631 42.059 -0.056 0.000 0.898 140 L HN 0.022 nan 8.230 nan 0.000 0.433 141 V N 0.097 119.937 119.914 -0.122 0.000 2.287 141 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 141 V C 2.398 178.304 176.094 -0.313 0.000 1.053 141 V CA 2.009 64.158 62.300 -0.251 0.000 1.027 141 V CB -0.448 31.151 31.823 -0.373 0.000 0.646 141 V HN 0.468 nan 8.190 nan 0.000 0.447 142 E N -0.132 119.936 120.200 -0.220 0.000 2.110 142 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 142 E C 2.301 178.801 176.600 -0.167 0.000 0.988 142 E CA 1.112 57.417 56.400 -0.159 0.000 0.804 142 E CB -0.491 29.185 29.700 -0.039 0.000 0.745 142 E HN 0.662 nan 8.360 nan 0.000 0.458 143 G N 0.641 109.284 108.800 -0.261 0.000 2.421 143 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 143 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 143 G C 1.165 175.925 174.900 -0.232 0.000 1.171 143 G CA 0.570 45.494 45.100 -0.293 0.000 0.775 143 G HN 0.123 nan 8.290 nan 0.000 0.543 144 F N 0.823 120.705 119.950 -0.114 0.000 2.146 144 F HA 0.116 4.643 4.527 -0.000 0.000 0.298 144 F C 2.652 178.439 175.800 -0.021 0.000 1.096 144 F CA 0.372 58.332 58.000 -0.067 0.000 1.275 144 F CB -0.756 38.089 39.000 -0.260 0.000 1.008 144 F HN 0.014 nan 8.300 nan 0.000 0.480 145 L N -0.171 121.051 121.223 -0.001 0.000 2.012 145 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 145 L C 2.363 179.228 176.870 -0.008 0.000 1.073 145 L CA 1.622 56.432 54.840 -0.050 0.000 0.748 145 L CB -0.757 41.221 42.059 -0.134 0.000 0.891 145 L HN 0.190 nan 8.230 nan 0.000 0.431 146 E N 0.142 120.334 120.200 -0.014 0.000 2.204 146 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 146 E C 1.798 178.396 176.600 -0.003 0.000 0.990 146 E CA 1.010 57.403 56.400 -0.011 0.000 0.821 146 E CB 0.055 29.742 29.700 -0.022 0.000 0.750 146 E HN 0.319 nan 8.360 nan 0.000 0.477 147 K N -0.862 119.558 120.400 0.033 0.000 2.487 147 K HA 0.047 4.367 4.320 -0.000 0.000 0.192 147 K C 0.938 177.431 176.600 -0.177 0.000 1.027 147 K CA 0.597 56.875 56.287 -0.015 0.000 1.054 147 K CB 0.583 33.155 32.500 0.120 0.000 0.824 147 K HN 0.243 nan 8.250 nan 0.000 0.510 148 G N -0.338 108.394 108.800 -0.113 0.000 2.175 148 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 148 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 148 G C -0.321 174.443 174.900 -0.227 0.000 0.982 148 G CA -0.288 44.720 45.100 -0.154 0.000 0.641 148 G HN 0.224 nan 8.290 nan 0.000 0.527 149 Y N 0.405 120.663 120.300 -0.070 0.000 2.597 149 Y HA 0.449 4.999 4.550 -0.000 0.000 0.336 149 Y C 1.557 177.394 175.900 -0.105 0.000 1.216 149 Y CA 0.454 58.482 58.100 -0.121 0.000 1.463 149 Y CB 0.698 39.043 38.460 -0.192 0.000 1.303 149 Y HN -0.077 nan 8.280 nan 0.000 0.576 150 K N 1.590 122.044 120.400 0.091 0.000 2.438 150 K HA 0.170 4.490 4.320 -0.000 0.000 0.206 150 K C -0.896 175.570 176.600 -0.223 0.000 1.081 150 K CA -0.034 56.227 56.287 -0.044 0.000 1.053 150 K CB 0.394 32.832 32.500 -0.104 0.000 0.908 150 K HN 0.711 nan 8.250 nan 0.000 0.556 151 H N -0.413 118.630 119.070 -0.046 0.000 2.759 151 H HA 0.544 5.100 4.556 -0.000 0.000 0.354 151 H C -0.709 174.515 175.328 -0.173 0.000 1.074 151 H CA -0.438 55.539 56.048 -0.119 0.000 1.226 151 H CB 1.786 31.331 29.762 -0.361 0.000 1.648 151 H HN -0.147 nan 8.280 nan 0.000 0.529 152 I N 1.436 121.999 120.570 -0.013 0.000 2.607 152 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 152 I C -0.382 175.656 176.117 -0.131 0.000 1.129 152 I CA -0.776 60.417 61.300 -0.179 0.000 1.042 152 I CB 2.497 40.307 38.000 -0.316 0.000 1.242 152 I HN 0.330 nan 8.210 nan 0.000 0.421 153 R N 4.460 124.840 120.500 -0.200 0.000 2.234 153 R HA 0.546 4.886 4.340 -0.000 0.000 0.324 153 R C -1.440 174.821 176.300 -0.064 0.000 1.054 153 R CA -0.178 55.820 56.100 -0.170 0.000 0.912 153 R CB 0.699 30.906 30.300 -0.155 0.000 1.030 153 R HN 0.702 nan 8.270 nan 0.000 0.455 154 C N 4.528 123.808 119.300 -0.032 0.000 2.319 154 C HA 0.433 4.893 4.460 -0.000 0.000 0.323 154 C C -0.727 174.299 174.990 0.059 0.000 1.277 154 C CA -0.874 58.134 59.018 -0.018 0.000 1.517 154 C CB 1.404 29.107 27.740 -0.062 0.000 2.206 154 C HN 0.669 nan 8.230 nan 0.000 0.486 155 Q N 2.407 122.223 119.800 0.026 0.000 2.321 155 Q HA 0.437 4.777 4.340 -0.000 0.000 0.270 155 Q C -1.114 174.879 176.000 -0.011 0.000 1.032 155 Q CA -0.681 55.171 55.803 0.082 0.000 0.784 155 Q CB 2.679 31.419 28.738 0.003 0.000 1.264 155 Q HN 0.660 nan 8.270 nan 0.000 0.448 156 L N 2.050 123.304 121.223 0.052 0.000 2.270 156 L HA 0.604 4.944 4.340 -0.000 0.000 0.286 156 L C 0.075 176.989 176.870 0.073 0.000 1.059 156 L CA 0.803 55.649 54.840 0.009 0.000 0.839 156 L CB 0.436 42.492 42.059 -0.006 0.000 1.221 156 L HN 0.779 nan 8.230 nan 0.000 0.431 157 G N 3.559 112.378 108.800 0.033 0.000 3.338 157 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 157 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 157 G C -0.350 174.602 174.900 0.087 0.000 1.053 157 G CA -0.591 44.583 45.100 0.122 0.000 0.852 157 G HN 0.468 nan 8.290 nan 0.000 0.545 180 Q N 0.462 120.328 119.800 0.111 0.000 2.167 180 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 180 Q C 0.900 177.005 176.000 0.175 0.000 0.970 180 Q CA 1.641 57.536 55.803 0.153 0.000 0.855 180 Q CB 0.067 28.880 28.738 0.125 0.000 0.911 180 Q HN 0.448 nan 8.270 nan 0.000 0.438 181 D N 0.380 120.854 120.400 0.124 0.000 2.097 181 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 181 D C 1.783 178.134 176.300 0.084 0.000 0.984 181 D CA 1.030 55.089 54.000 0.097 0.000 0.826 181 D CB -0.055 40.792 40.800 0.078 0.000 0.973 181 D HN 0.280 nan 8.370 nan 0.000 0.460 182 Q N -0.404 119.452 119.800 0.093 0.000 2.084 182 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 182 Q C 2.221 178.278 176.000 0.096 0.000 0.978 182 Q CA 1.055 56.907 55.803 0.082 0.000 0.844 182 Q CB -0.131 28.656 28.738 0.080 0.000 0.898 182 Q HN 0.359 nan 8.270 nan 0.000 0.426 183 Y N 0.318 120.633 120.300 0.026 0.000 2.181 183 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 183 Y C 1.917 177.824 175.900 0.012 0.000 1.146 183 Y CA 1.860 59.971 58.100 0.018 0.000 1.164 183 Y CB -0.233 38.228 38.460 0.001 0.000 0.982 183 Y HN 0.079 nan 8.280 nan 0.000 0.515 184 M N 0.060 119.494 119.600 -0.275 0.000 2.086 184 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 184 M C 1.623 177.861 176.300 -0.103 0.000 1.067 184 M CA 2.047 57.157 55.300 -0.317 0.000 1.116 184 M CB -0.364 32.225 32.600 -0.019 0.000 1.348 184 M HN 0.233 nan 8.290 nan 0.000 0.407 185 D N 0.172 120.555 120.400 -0.028 0.000 2.117 185 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 185 D C 1.495 177.784 176.300 -0.018 0.000 0.987 185 D CA 1.246 55.251 54.000 0.008 0.000 0.829 185 D CB -0.594 40.220 40.800 0.024 0.000 0.961 185 D HN 0.471 nan 8.370 nan 0.000 0.460 186 N N -0.501 118.170 118.700 -0.047 0.000 2.142 186 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 186 N C 1.552 177.014 175.510 -0.079 0.000 1.023 186 N CA 1.183 54.208 53.050 -0.043 0.000 0.852 186 N CB 0.105 38.586 38.487 -0.010 0.000 0.998 186 N HN 0.057 nan 8.380 nan 0.000 0.424 187 T N 1.414 115.869 114.554 -0.166 0.000 2.821 187 T HA -0.030 4.320 4.350 -0.000 0.000 0.267 187 T C 1.959 176.682 174.700 0.038 0.000 1.046 187 T CA 0.717 62.721 62.100 -0.160 0.000 1.139 187 T CB -0.127 68.494 68.868 -0.412 0.000 0.871 187 T HN 0.149 nan 8.240 nan 0.000 0.454 188 L N 0.625 121.890 121.223 0.070 0.000 2.109 188 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 188 L C 2.898 179.737 176.870 -0.051 0.000 1.086 188 L CA 1.023 55.905 54.840 0.069 0.000 0.760 188 L CB -0.942 41.177 42.059 0.101 0.000 0.910 188 L HN 0.266 nan 8.230 nan 0.000 0.437 189 T N -0.208 114.324 114.554 -0.036 0.000 2.708 189 T HA -0.282 4.068 4.350 -0.000 0.000 0.266 189 T C 1.868 176.509 174.700 -0.099 0.000 1.037 189 T CA 1.553 63.618 62.100 -0.058 0.000 1.146 189 T CB -0.198 68.654 68.868 -0.027 0.000 0.865 189 T HN 0.265 nan 8.240 nan 0.000 0.435 190 M N 0.014 119.548 119.600 -0.110 0.000 2.073 190 M HA -0.169 4.311 4.480 -0.000 0.000 0.258 190 M C 1.904 178.060 176.300 -0.240 0.000 1.070 190 M CA 1.978 57.181 55.300 -0.162 0.000 1.103 190 M CB -0.383 32.086 32.600 -0.219 0.000 1.321 190 M HN 0.217 nan 8.290 nan 0.000 0.405 191 F N 0.602 120.361 119.950 -0.318 0.000 2.069 191 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 191 F C 2.635 178.028 175.800 -0.678 0.000 1.113 191 F CA 2.335 60.043 58.000 -0.487 0.000 1.214 191 F CB -0.742 37.873 39.000 -0.642 0.000 0.978 191 F HN 0.204 nan 8.300 nan 0.000 0.474 192 K N -0.001 119.969 120.400 -0.716 0.000 2.063 192 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 192 K C 2.163 178.673 176.600 -0.150 0.000 1.048 192 K CA 1.901 57.890 56.287 -0.497 0.000 0.928 192 K CB -0.280 32.064 32.500 -0.259 0.000 0.713 192 K HN 0.155 nan 8.250 nan 0.000 0.442 193 S N 1.255 116.899 115.700 -0.094 0.000 2.368 193 S HA -0.085 4.385 4.470 -0.000 0.000 0.225 193 S C 1.882 176.486 174.600 0.006 0.000 1.030 193 S CA 1.204 59.403 58.200 -0.001 0.000 0.999 193 S CB -0.211 63.044 63.200 0.092 0.000 0.844 193 S HN 0.263 nan 8.310 nan 0.000 0.459 194 L N 0.863 122.104 121.223 0.029 0.000 2.093 194 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 194 L C 2.763 179.653 176.870 0.032 0.000 1.085 194 L CA 0.872 55.789 54.840 0.130 0.000 0.755 194 L CB -0.383 41.750 42.059 0.122 0.000 0.904 194 L HN 0.143 nan 8.230 nan 0.000 0.435 195 R N 0.333 120.817 120.500 -0.027 0.000 2.081 195 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 195 R C 2.085 178.361 176.300 -0.040 0.000 1.131 195 R CA 1.276 57.365 56.100 -0.018 0.000 0.960 195 R CB -0.549 29.791 30.300 0.067 0.000 0.856 195 R HN 0.451 nan 8.270 nan 0.000 0.436 196 E N 0.455 120.624 120.200 -0.052 0.000 2.058 196 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 196 E C 2.016 178.513 176.600 -0.171 0.000 0.997 196 E CA 1.597 57.949 56.400 -0.080 0.000 0.801 196 E CB 0.006 29.669 29.700 -0.063 0.000 0.746 196 E HN 0.193 nan 8.360 nan 0.000 0.450 197 K N -0.566 119.654 120.400 -0.300 0.000 2.031 197 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 197 K C 1.106 177.356 176.600 -0.584 0.000 1.049 197 K CA 1.287 57.212 56.287 -0.604 0.000 0.939 197 K CB 0.085 31.913 32.500 -1.119 0.000 0.717 197 K HN 0.131 nan 8.250 nan 0.000 0.438 198 Y N -0.353 119.907 120.300 -0.066 0.000 2.481 198 Y HA 0.310 4.860 4.550 -0.000 0.000 0.247 198 Y C 1.293 177.148 175.900 -0.074 0.000 1.151 198 Y CA -0.080 58.006 58.100 -0.023 0.000 1.238 198 Y CB 0.495 39.034 38.460 0.132 0.000 1.179 198 Y HN 0.326 nan 8.280 nan 0.000 0.524 199 G N 1.802 110.601 108.800 -0.002 0.000 2.660 199 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.321 199 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.321 199 G C 0.827 175.667 174.900 -0.099 0.000 1.246 199 G CA 0.988 46.064 45.100 -0.040 0.000 1.000 199 G HN 0.382 nan 8.290 nan 0.000 0.550 200 N N 1.257 119.898 118.700 -0.098 0.000 2.238 200 N HA 0.146 4.886 4.740 -0.000 0.000 0.222 200 N C 1.884 177.305 175.510 -0.148 0.000 1.133 200 N CA 0.609 53.555 53.050 -0.172 0.000 0.854 200 N CB 0.726 39.125 38.487 -0.148 0.000 1.041 200 N HN 0.711 nan 8.380 nan 0.000 0.510 201 Q N -0.035 119.739 119.800 -0.043 0.000 2.217 201 Q HA -0.122 4.218 4.340 -0.000 0.000 0.209 201 Q C -0.164 175.893 176.000 0.095 0.000 0.988 201 Q CA 1.421 57.262 55.803 0.062 0.000 0.878 201 Q CB -0.131 28.730 28.738 0.205 0.000 0.909 201 Q HN 0.486 nan 8.270 nan 0.000 0.424 202 F N -3.848 115.995 119.950 -0.178 0.000 2.686 202 F HA 0.469 4.996 4.527 -0.000 0.000 0.311 202 F C -0.815 174.808 175.800 -0.295 0.000 1.128 202 F CA -1.467 56.380 58.000 -0.256 0.000 0.946 202 F CB 0.893 39.771 39.000 -0.204 0.000 1.336 202 F HN -0.223 nan 8.300 nan 0.000 0.457 203 H N 2.189 121.125 119.070 -0.224 0.000 2.548 203 H HA 0.521 5.077 4.556 -0.000 0.000 0.331 203 H C -0.463 174.791 175.328 -0.123 0.000 1.093 203 H CA -0.019 55.887 56.048 -0.237 0.000 1.367 203 H CB 1.680 31.223 29.762 -0.365 0.000 1.455 203 H HN 0.565 nan 8.280 nan 0.000 0.519 204 I N 5.109 125.694 120.570 0.026 0.000 2.339 204 I HA 0.109 4.279 4.170 -0.000 0.000 0.290 204 I C -0.481 175.669 176.117 0.055 0.000 0.994 204 I CA -0.638 60.688 61.300 0.043 0.000 1.191 204 I CB 0.954 38.956 38.000 0.004 0.000 1.343 204 I HN 0.092 nan 8.210 nan 0.000 0.458 205 L N 5.981 127.130 121.223 -0.123 0.000 2.344 205 L HA 0.568 4.908 4.340 -0.000 0.000 0.272 205 L C -0.405 176.450 176.870 -0.025 0.000 1.035 205 L CA -0.454 54.215 54.840 -0.284 0.000 0.807 205 L CB 1.148 42.730 42.059 -0.794 0.000 1.237 205 L HN 0.517 nan 8.230 nan 0.000 0.442 206 H N -0.173 118.886 119.070 -0.018 0.000 3.029 206 H HA 0.434 4.990 4.556 -0.000 0.000 0.358 206 H C -1.832 173.559 175.328 0.106 0.000 1.129 206 H CA -0.658 55.450 56.048 0.101 0.000 1.230 206 H CB 1.613 31.588 29.762 0.356 0.000 1.827 206 H HN 0.562 nan 8.280 nan 0.000 0.530 207 D N 4.035 124.062 120.400 -0.622 0.000 2.349 207 D HA 0.154 4.794 4.640 -0.000 0.000 0.232 207 D C 0.468 176.380 176.300 -0.648 0.000 1.071 207 D CA -0.328 53.369 54.000 -0.505 0.000 0.832 207 D CB 1.827 42.270 40.800 -0.596 0.000 1.086 207 D HN 0.388 nan 8.370 nan 0.000 0.504 208 V N 3.977 123.764 119.914 -0.211 0.000 3.041 208 V HA -0.109 4.011 4.120 -0.000 0.000 0.260 208 V C 0.655 176.666 176.094 -0.137 0.000 1.105 208 V CA 0.535 62.811 62.300 -0.041 0.000 1.125 208 V CB -0.999 30.878 31.823 0.091 0.000 0.730 208 V HN 0.752 nan 8.190 nan 0.000 0.479 209 H N 0.021 119.048 119.070 -0.073 0.000 2.791 209 H HA -0.182 4.374 4.556 -0.000 0.000 0.302 209 H C 0.982 176.247 175.328 -0.106 0.000 1.198 209 H CA 1.061 57.055 56.048 -0.089 0.000 1.145 209 H CB -1.954 27.733 29.762 -0.126 0.000 1.385 209 H HN 0.834 nan 8.280 nan 0.000 0.409 210 E N -1.787 118.417 120.200 0.006 0.000 2.722 210 E HA -0.327 4.023 4.350 -0.000 0.000 0.265 210 E C 1.207 177.735 176.600 -0.120 0.000 1.081 210 E CA 0.951 57.328 56.400 -0.039 0.000 0.781 210 E CB -0.898 28.791 29.700 -0.017 0.000 1.372 210 E HN 0.803 nan 8.360 nan 0.000 0.423 211 R N 0.507 120.908 120.500 -0.166 0.000 2.317 211 R HA 0.233 4.573 4.340 -0.000 0.000 0.208 211 R C 0.555 176.698 176.300 -0.262 0.000 0.914 211 R CA 0.019 55.969 56.100 -0.249 0.000 1.060 211 R CB 0.246 30.346 30.300 -0.334 0.000 1.015 211 R HN 0.092 nan 8.270 nan 0.000 0.498 212 L N 1.398 122.499 121.223 -0.203 0.000 2.325 212 L HA 0.450 4.790 4.340 -0.000 0.000 0.278 212 L C -0.235 176.487 176.870 -0.247 0.000 1.023 212 L CA -1.286 53.458 54.840 -0.160 0.000 0.811 212 L CB 1.010 43.054 42.059 -0.026 0.000 1.249 212 L HN -0.161 nan 8.230 nan 0.000 0.431 213 F N 1.867 121.766 119.950 -0.084 0.000 2.485 213 F HA 0.141 4.668 4.527 -0.000 0.000 0.327 213 F C -1.211 174.448 175.800 -0.235 0.000 1.203 213 F CA -1.076 56.830 58.000 -0.157 0.000 1.295 213 F CB -0.206 38.710 39.000 -0.140 0.000 1.191 213 F HN 0.356 nan 8.300 nan 0.000 0.588 214 P HA -0.163 nan 4.420 nan 0.000 0.217 214 P C 1.233 178.331 177.300 -0.337 0.000 1.150 214 P CA 1.573 64.341 63.100 -0.554 0.000 0.832 214 P CB -0.061 30.614 31.700 -1.708 0.000 0.787 215 N N 0.222 118.748 118.700 -0.290 0.000 2.166 215 N HA -0.205 4.535 4.740 -0.000 0.000 0.186 215 N C 1.512 177.036 175.510 0.023 0.000 1.019 215 N CA 1.590 54.590 53.050 -0.083 0.000 0.856 215 N CB -0.989 37.467 38.487 -0.052 0.000 0.993 215 N HN 0.285 nan 8.380 nan 0.000 0.426 216 Q N 0.534 120.366 119.800 0.054 0.000 2.079 216 Q HA 0.114 4.454 4.340 -0.000 0.000 0.200 216 Q C 2.409 178.493 176.000 0.140 0.000 0.974 216 Q CA 1.624 57.493 55.803 0.110 0.000 0.840 216 Q CB -0.262 28.559 28.738 0.139 0.000 0.898 216 Q HN 0.554 nan 8.270 nan 0.000 0.430 217 A N 1.203 124.084 122.820 0.102 0.000 1.917 217 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 217 A C 2.070 179.770 177.584 0.194 0.000 1.182 217 A CA 1.416 53.545 52.037 0.153 0.000 0.633 217 A CB -0.692 18.360 19.000 0.086 0.000 0.819 217 A HN 0.325 nan 8.150 nan 0.000 0.448 218 I N -1.056 119.598 120.570 0.140 0.000 2.353 218 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 218 I C 2.778 178.965 176.117 0.116 0.000 1.119 218 I CA 1.561 62.943 61.300 0.138 0.000 1.417 218 I CB -0.329 37.760 38.000 0.149 0.000 1.078 218 I HN 0.517 nan 8.210 nan 0.000 0.421 219 Q N 0.763 120.636 119.800 0.123 0.000 2.046 219 Q HA -0.250 4.090 4.340 -0.000 0.000 0.200 219 Q C 2.324 178.394 176.000 0.116 0.000 0.975 219 Q CA 1.823 57.688 55.803 0.103 0.000 0.836 219 Q CB -0.166 28.635 28.738 0.105 0.000 0.896 219 Q HN 0.406 nan 8.270 nan 0.000 0.428 220 F N 0.972 120.939 119.950 0.028 0.000 2.120 220 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 220 F C 2.061 177.858 175.800 -0.005 0.000 1.095 220 F CA 1.576 59.584 58.000 0.014 0.000 1.249 220 F CB -0.669 38.357 39.000 0.043 0.000 0.995 220 F HN 0.171 nan 8.300 nan 0.000 0.480 221 A N 0.054 122.879 122.820 0.009 0.000 1.933 221 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 221 A C 2.284 179.771 177.584 -0.162 0.000 1.175 221 A CA 1.879 53.862 52.037 -0.088 0.000 0.628 221 A CB -0.646 18.383 19.000 0.048 0.000 0.814 221 A HN 0.466 nan 8.150 nan 0.000 0.444 222 K N -0.588 119.751 120.400 -0.101 0.000 2.155 222 K HA -0.088 4.232 4.320 -0.000 0.000 0.203 222 K C 1.854 178.352 176.600 -0.170 0.000 1.052 222 K CA 1.371 57.595 56.287 -0.106 0.000 0.948 222 K CB -0.094 32.378 32.500 -0.047 0.000 0.728 222 K HN 0.598 nan 8.250 nan 0.000 0.448 223 E N 0.303 120.380 120.200 -0.204 0.000 2.170 223 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 223 E C 1.831 178.240 176.600 -0.318 0.000 0.981 223 E CA 0.416 56.687 56.400 -0.215 0.000 0.830 223 E CB 0.318 29.939 29.700 -0.131 0.000 0.775 223 E HN -0.008 nan 8.360 nan 0.000 0.470 224 V N 1.124 120.730 119.914 -0.512 0.000 2.951 224 V HA -0.139 3.981 4.120 -0.000 0.000 0.255 224 V C 2.053 177.883 176.094 -0.440 0.000 1.088 224 V CA 1.137 63.102 62.300 -0.557 0.000 1.109 224 V CB -0.004 31.183 31.823 -1.061 0.000 0.724 224 V HN 0.234 nan 8.190 nan 0.000 0.471 225 E N 0.537 120.519 120.200 -0.363 0.000 2.086 225 E HA -0.387 3.963 4.350 -0.000 0.000 0.205 225 E C 2.153 178.575 176.600 -0.297 0.000 1.027 225 E CA 2.458 58.697 56.400 -0.269 0.000 0.830 225 E CB -0.248 29.333 29.700 -0.198 0.000 0.751 225 E HN 0.892 nan 8.360 nan 0.000 0.456 226 Q N -0.843 118.702 119.800 -0.424 0.000 2.308 226 Q HA -0.211 4.129 4.340 -0.000 0.000 0.209 226 Q C 1.283 176.992 176.000 -0.485 0.000 0.985 226 Q CA 1.649 57.162 55.803 -0.483 0.000 0.881 226 Q CB -0.452 27.901 28.738 -0.642 0.000 0.917 226 Q HN 0.466 nan 8.270 nan 0.000 0.443 227 Y N 0.896 121.087 120.300 -0.182 0.000 2.490 227 Y HA 0.254 4.804 4.550 -0.000 0.000 0.281 227 Y C -0.007 175.831 175.900 -0.103 0.000 1.174 227 Y CA -0.097 57.926 58.100 -0.128 0.000 1.295 227 Y CB 0.241 38.625 38.460 -0.128 0.000 1.062 227 Y HN 0.018 nan 8.280 nan 0.000 0.522 228 K N -0.092 120.281 120.400 -0.044 0.000 3.244 228 K HA -0.162 4.158 4.320 -0.000 0.000 0.270 228 K C -2.801 173.841 176.600 0.070 0.000 1.016 228 K CA 0.015 56.303 56.287 0.003 0.000 0.754 228 K CB -1.362 31.153 32.500 0.026 0.000 1.326 228 K HN 0.258 nan 8.250 nan 0.000 0.465 229 P HA -0.109 nan 4.420 nan 0.000 0.269 229 P C 0.391 177.772 177.300 0.136 0.000 1.215 229 P CA -0.077 63.096 63.100 0.122 0.000 0.780 229 P CB 0.487 32.193 31.700 0.010 0.000 0.898 230 Y N 3.126 123.419 120.300 -0.011 0.000 2.145 230 Y HA -0.078 4.472 4.550 0.000 0.000 0.286 230 Y C 0.741 176.525 175.900 -0.193 0.000 1.145 230 Y CA 1.758 59.760 58.100 -0.164 0.000 1.148 230 Y CB -0.079 38.163 38.460 -0.364 0.000 0.981 230 Y HN 0.390 nan 8.280 nan 0.000 0.507 231 F N -2.383 117.474 119.950 -0.155 0.000 2.719 231 F HA 0.534 5.061 4.527 0.000 0.000 0.309 231 F C -1.807 173.985 175.800 -0.015 0.000 1.138 231 F CA -2.338 55.554 58.000 -0.180 0.000 0.943 231 F CB 0.408 39.154 39.000 -0.423 0.000 1.304 231 F HN -0.394 nan 8.300 nan 0.000 0.445 232 I N 2.010 122.795 120.570 0.357 0.000 2.354 232 I HA 0.377 4.547 4.170 -0.000 0.000 0.292 232 I C -0.229 176.091 176.117 0.339 0.000 0.989 232 I CA -0.434 61.077 61.300 0.352 0.000 1.188 232 I CB 1.302 39.490 38.000 0.313 0.000 1.342 232 I HN 0.836 nan 8.210 nan 0.000 0.457 233 E N 4.638 125.019 120.200 0.302 0.000 2.248 233 E HA 0.194 4.544 4.350 -0.000 0.000 0.272 233 E C -0.727 175.920 176.600 0.079 0.000 1.008 233 E CA -0.400 56.100 56.400 0.167 0.000 0.856 233 E CB 0.830 30.644 29.700 0.191 0.000 1.120 233 E HN 0.470 nan 8.360 nan 0.000 0.397 234 D N 2.431 122.860 120.400 0.049 0.000 2.697 234 D HA -0.234 4.406 4.640 -0.000 0.000 0.235 234 D C 0.415 176.751 176.300 0.060 0.000 1.167 234 D CA 0.558 54.584 54.000 0.044 0.000 0.656 234 D CB -0.964 39.853 40.800 0.029 0.000 1.025 234 D HN 0.537 nan 8.370 nan 0.000 0.419 235 I N -0.969 119.660 120.570 0.098 0.000 2.761 235 I HA -0.034 4.136 4.170 -0.000 0.000 0.261 235 I C 0.618 176.786 176.117 0.085 0.000 1.198 235 I CA 0.695 62.070 61.300 0.125 0.000 1.482 235 I CB 0.298 38.409 38.000 0.184 0.000 1.100 235 I HN 0.058 nan 8.210 nan 0.000 0.445 236 L N 0.856 122.125 121.223 0.077 0.000 2.333 236 L HA 0.487 4.827 4.340 -0.000 0.000 0.269 236 L C -2.291 174.598 176.870 0.033 0.000 1.010 236 L CA -2.137 52.731 54.840 0.047 0.000 0.818 236 L CB 1.311 43.425 42.059 0.092 0.000 1.306 236 L HN -0.174 nan 8.230 nan 0.000 0.430 237 P HA 0.047 nan 4.420 nan 0.000 0.269 237 P C -2.583 174.758 177.300 0.068 0.000 1.211 237 P CA -0.667 62.436 63.100 0.005 0.000 0.781 237 P CB -0.411 31.269 31.700 -0.033 0.000 0.877 238 P HA 0.144 nan 4.420 nan 0.000 0.278 238 P C -0.096 177.266 177.300 0.102 0.000 1.258 238 P CA -0.099 63.081 63.100 0.133 0.000 0.811 238 P CB 0.262 32.052 31.700 0.150 0.000 1.063 239 N N -1.290 117.469 118.700 0.097 0.000 2.857 239 N HA -0.167 4.573 4.740 -0.000 0.000 0.242 239 N C 0.046 175.633 175.510 0.128 0.000 0.983 239 N CA 0.896 53.995 53.050 0.081 0.000 0.934 239 N CB -1.548 36.974 38.487 0.058 0.000 1.115 239 N HN 0.554 nan 8.380 nan 0.000 0.593 240 Q N -0.208 119.690 119.800 0.163 0.000 2.186 240 Q HA 0.207 4.547 4.340 -0.000 0.000 0.241 240 Q C 1.448 177.639 176.000 0.318 0.000 0.849 240 Q CA 0.588 56.558 55.803 0.278 0.000 1.053 240 Q CB 0.029 28.880 28.738 0.189 0.000 1.146 240 Q HN 0.596 nan 8.270 nan 0.000 0.475 241 T N -3.081 111.598 114.554 0.209 0.000 3.007 241 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 241 T C 1.263 176.060 174.700 0.162 0.000 1.107 241 T CA 0.897 63.107 62.100 0.182 0.000 1.118 241 T CB 0.185 69.134 68.868 0.135 0.000 0.889 241 T HN 0.101 nan 8.240 nan 0.000 0.506 242 E N 0.787 121.068 120.200 0.135 0.000 2.209 242 E HA -0.058 4.292 4.350 -0.000 0.000 0.196 242 E C 1.219 177.809 176.600 -0.017 0.000 0.993 242 E CA 1.120 57.529 56.400 0.014 0.000 0.819 242 E CB -0.497 29.160 29.700 -0.072 0.000 0.745 242 E HN 0.755 nan 8.360 nan 0.000 0.477 243 W N 0.380 121.706 121.300 0.043 0.000 2.699 243 W HA 0.064 4.724 4.660 -0.000 0.000 0.249 243 W C 1.352 177.901 176.519 0.051 0.000 1.280 243 W CA 0.239 57.614 57.345 0.049 0.000 1.345 243 W CB -0.222 29.276 29.460 0.064 0.000 1.128 243 W HN 0.062 nan 8.180 nan 0.000 0.642 244 L N 0.006 121.370 121.223 0.235 0.000 2.127 244 L HA -0.258 4.082 4.340 -0.000 0.000 0.211 244 L C 1.902 178.835 176.870 0.105 0.000 1.089 244 L CA 1.185 56.120 54.840 0.158 0.000 0.757 244 L CB -0.615 41.516 42.059 0.121 0.000 0.899 244 L HN -0.078 nan 8.230 nan 0.000 0.434 245 D N -0.191 120.246 120.400 0.061 0.000 2.144 245 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 245 D C 1.885 178.208 176.300 0.038 0.000 0.978 245 D CA 1.026 55.041 54.000 0.025 0.000 0.833 245 D CB -0.339 40.450 40.800 -0.018 0.000 0.961 245 D HN 0.343 nan 8.370 nan 0.000 0.470 246 N N 0.482 119.221 118.700 0.064 0.000 2.069 246 N HA -0.091 4.649 4.740 -0.000 0.000 0.191 246 N C 1.963 177.543 175.510 0.117 0.000 1.031 246 N CA 0.779 53.891 53.050 0.102 0.000 0.852 246 N CB -0.153 38.463 38.487 0.216 0.000 1.018 246 N HN 0.198 nan 8.380 nan 0.000 0.423 247 I N 0.663 121.318 120.570 0.141 0.000 2.142 247 I HA -0.210 3.960 4.170 -0.000 0.000 0.240 247 I C 1.896 178.055 176.117 0.070 0.000 1.078 247 I CA 1.030 62.397 61.300 0.112 0.000 1.343 247 I CB -0.180 37.897 38.000 0.128 0.000 1.046 247 I HN 0.133 nan 8.210 nan 0.000 0.405 248 R N 0.905 121.442 120.500 0.062 0.000 2.285 248 R HA -0.066 4.274 4.340 -0.000 0.000 0.213 248 R C 2.179 178.494 176.300 0.026 0.000 1.068 248 R CA 1.375 57.498 56.100 0.039 0.000 1.004 248 R CB -0.958 29.362 30.300 0.034 0.000 0.873 248 R HN 0.506 nan 8.270 nan 0.000 0.467 249 S N -0.266 115.451 115.700 0.029 0.000 2.522 249 S HA -0.014 4.456 4.470 -0.000 0.000 0.227 249 S C 1.574 176.183 174.600 0.015 0.000 0.986 249 S CA 0.349 58.559 58.200 0.018 0.000 0.929 249 S CB 0.231 63.440 63.200 0.016 0.000 0.769 249 S HN 0.349 nan 8.310 nan 0.000 0.529 250 Q N -0.315 119.497 119.800 0.020 0.000 2.254 250 Q HA 0.354 4.694 4.340 -0.000 0.000 0.259 250 Q C -0.062 175.937 176.000 -0.001 0.000 0.815 250 Q CA 0.027 55.838 55.803 0.012 0.000 0.961 250 Q CB 1.135 29.888 28.738 0.024 0.000 1.140 250 Q HN 0.444 nan 8.270 nan 0.000 0.502 251 S N -0.208 115.494 115.700 0.002 0.000 2.536 251 S HA 0.281 4.751 4.470 -0.000 0.000 0.287 251 S C 0.290 174.883 174.600 -0.011 0.000 1.101 251 S CA -0.523 57.668 58.200 -0.015 0.000 0.950 251 S CB 1.561 64.750 63.200 -0.018 0.000 1.056 251 S HN 0.187 nan 8.310 nan 0.000 0.481 252 S N 2.875 118.559 115.700 -0.025 0.000 2.577 252 S HA 0.154 4.623 4.470 -0.000 0.000 0.219 252 S C 0.629 175.221 174.600 -0.014 0.000 0.962 252 S CA -0.227 57.963 58.200 -0.017 0.000 0.921 252 S CB -0.095 63.091 63.200 -0.023 0.000 0.789 252 S HN 0.760 nan 8.310 nan 0.000 0.497 253 V N 3.031 122.931 119.914 -0.025 0.000 2.644 253 V HA 0.136 4.256 4.120 -0.000 0.000 0.305 253 V C 0.223 176.337 176.094 0.033 0.000 1.053 253 V CA 0.260 62.548 62.300 -0.020 0.000 1.186 253 V CB 0.469 32.264 31.823 -0.047 0.000 0.895 253 V HN 0.578 nan 8.190 nan 0.000 0.490 254 S N 7.595 123.332 115.700 0.062 0.000 2.549 254 S HA 0.490 4.960 4.470 -0.000 0.000 0.279 254 S C -0.314 174.392 174.600 0.176 0.000 1.321 254 S CA -0.343 57.936 58.200 0.131 0.000 1.054 254 S CB 0.433 63.747 63.200 0.190 0.000 0.899 254 S HN 0.618 nan 8.310 nan 0.000 0.497 255 L N 2.237 123.561 121.223 0.169 0.000 2.386 255 L HA 0.713 5.053 4.340 -0.000 0.000 0.271 255 L C 0.435 177.332 176.870 0.046 0.000 0.993 255 L CA -0.751 54.165 54.840 0.127 0.000 0.819 255 L CB 2.105 44.219 42.059 0.092 0.000 1.294 255 L HN 0.740 nan 8.230 nan 0.000 0.414 256 G N 3.122 111.875 108.800 -0.078 0.000 2.513 256 G HA2 0.797 4.757 3.960 -0.000 0.000 0.317 256 G HA3 0.797 4.757 3.960 -0.000 0.000 0.317 256 G C -1.179 173.616 174.900 -0.176 0.000 1.277 256 G CA -0.320 44.575 45.100 -0.341 0.000 0.955 256 G HN 0.383 nan 8.290 nan 0.000 0.484 257 L N 0.404 121.527 121.223 -0.167 0.000 2.491 257 L HA 0.768 5.108 4.340 -0.000 0.000 0.254 257 L C 0.919 177.570 176.870 -0.365 0.000 1.048 257 L CA -0.369 54.368 54.840 -0.171 0.000 0.855 257 L CB 2.501 44.549 42.059 -0.019 0.000 1.466 257 L HN 0.975 nan 8.230 nan 0.000 0.409 258 G N 0.178 108.494 108.800 -0.805 0.000 2.318 258 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.172 258 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.172 258 G C 0.657 175.134 174.900 -0.704 0.000 1.002 258 G CA 0.355 44.564 45.100 -1.486 0.000 0.697 258 G HN 0.782 nan 8.290 nan 0.000 0.483 259 E N 0.497 120.529 120.200 -0.281 0.000 2.160 259 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 259 E C 2.060 178.692 176.600 0.054 0.000 0.991 259 E CA 1.319 57.743 56.400 0.039 0.000 0.810 259 E CB -0.227 29.461 29.700 -0.019 0.000 0.742 259 E HN 0.545 nan 8.360 nan 0.000 0.466 260 L N 0.409 121.619 121.223 -0.022 0.000 2.567 260 L HA 0.183 4.523 4.340 -0.000 0.000 0.225 260 L C 0.041 177.088 176.870 0.295 0.000 1.119 260 L CA -0.633 54.266 54.840 0.098 0.000 0.871 260 L CB 0.026 42.168 42.059 0.137 0.000 1.036 260 L HN 0.043 nan 8.230 nan 0.000 0.459 261 F N 1.701 121.749 119.950 0.163 0.000 2.572 261 F HA 0.021 4.548 4.527 0.000 0.000 0.370 261 F C 1.178 177.100 175.800 0.204 0.000 1.103 261 F CA -0.626 57.503 58.000 0.216 0.000 1.286 261 F CB 0.009 39.239 39.000 0.384 0.000 1.105 261 F HN 0.190 nan 8.300 nan 0.000 0.583 262 N N -0.417 118.485 118.700 0.336 0.000 2.143 262 N HA 0.076 4.816 4.740 -0.000 0.000 0.229 262 N C -0.768 174.855 175.510 0.189 0.000 1.294 262 N CA -0.312 52.883 53.050 0.242 0.000 0.883 262 N CB 0.268 38.812 38.487 0.096 0.000 1.148 262 N HN 0.375 nan 8.380 nan 0.000 0.511 263 N N 0.277 119.022 118.700 0.074 0.000 2.397 263 N HA 0.334 5.074 4.740 -0.000 0.000 0.291 263 N C -2.377 172.721 175.510 -0.687 0.000 1.065 263 N CA -1.600 51.331 53.050 -0.199 0.000 0.884 263 N CB 2.516 40.891 38.487 -0.187 0.000 1.551 263 N HN -0.251 nan 8.380 nan 0.000 0.487 264 P HA -0.095 nan 4.420 nan 0.000 0.218 264 P C 0.747 177.379 177.300 -1.113 0.000 1.146 264 P CA 1.049 63.139 63.100 -1.684 0.000 0.813 264 P CB 0.492 31.729 31.700 -0.772 0.000 0.778 265 E N -0.146 119.679 120.200 -0.624 0.000 2.265 265 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 265 E C 1.654 177.976 176.600 -0.462 0.000 0.996 265 E CA 1.000 57.143 56.400 -0.429 0.000 0.832 265 E CB -0.348 29.183 29.700 -0.280 0.000 0.756 265 E HN 0.514 nan 8.360 nan 0.000 0.491 266 E N -0.628 119.196 120.200 -0.627 0.000 2.285 266 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 266 E C 1.695 177.922 176.600 -0.622 0.000 0.997 266 E CA 0.958 56.876 56.400 -0.804 0.000 0.845 266 E CB -0.067 28.814 29.700 -1.365 0.000 0.782 266 E HN 0.416 nan 8.360 nan 0.000 0.491 267 W N 0.108 121.249 121.300 -0.264 0.000 2.901 267 W HA 0.374 5.034 4.660 0.000 0.000 0.281 267 W C 1.374 177.888 176.519 -0.009 0.000 1.167 267 W CA -0.390 56.963 57.345 0.013 0.000 1.506 267 W CB -0.004 29.593 29.460 0.230 0.000 0.985 267 W HN -0.265 nan 8.180 nan 0.000 0.590 268 K N 1.434 121.779 120.400 -0.093 0.000 2.009 268 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 268 K C 2.394 178.970 176.600 -0.040 0.000 1.049 268 K CA 2.831 59.120 56.287 0.004 0.000 0.929 268 K CB -0.429 31.992 32.500 -0.132 0.000 0.714 268 K HN 0.229 nan 8.250 nan 0.000 0.440 269 S N 0.535 116.187 115.700 -0.080 0.000 2.428 269 S HA -0.059 4.411 4.470 -0.000 0.000 0.230 269 S C 1.911 176.465 174.600 -0.077 0.000 1.014 269 S CA 0.508 58.653 58.200 -0.091 0.000 0.957 269 S CB -0.140 63.012 63.200 -0.079 0.000 0.784 269 S HN 0.059 nan 8.310 nan 0.000 0.499 270 L N 1.707 122.920 121.223 -0.016 0.000 2.027 270 L HA 0.250 4.590 4.340 -0.000 0.000 0.206 270 L C 2.320 179.174 176.870 -0.025 0.000 1.074 270 L CA 1.286 56.141 54.840 0.024 0.000 0.745 270 L CB -0.926 41.213 42.059 0.134 0.000 0.898 270 L HN 0.354 nan 8.230 nan 0.000 0.433 271 I N -0.923 119.633 120.570 -0.024 0.000 2.163 271 I HA -0.286 3.883 4.170 -0.000 0.000 0.240 271 I C 2.526 178.355 176.117 -0.480 0.000 1.081 271 I CA 1.212 62.440 61.300 -0.119 0.000 1.353 271 I CB -0.572 37.436 38.000 0.013 0.000 1.054 271 I HN 0.232 nan 8.210 nan 0.000 0.407 272 A N 0.680 123.098 122.820 -0.671 0.000 1.978 272 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 272 A C 1.803 179.040 177.584 -0.578 0.000 1.170 272 A CA 1.722 53.081 52.037 -1.130 0.000 0.636 272 A CB -0.599 18.052 19.000 -0.583 0.000 0.810 272 A HN 0.498 nan 8.150 nan 0.000 0.448 273 N N -0.614 117.914 118.700 -0.286 0.000 2.268 273 N HA 0.084 4.824 4.740 -0.000 0.000 0.204 273 N C -0.482 174.981 175.510 -0.077 0.000 1.124 273 N CA 0.174 53.143 53.050 -0.134 0.000 0.838 273 N CB 0.196 38.634 38.487 -0.082 0.000 0.994 273 N HN 0.427 nan 8.380 nan 0.000 0.489 274 R N 0.059 120.504 120.500 -0.090 0.000 3.525 274 R HA -0.181 4.159 4.340 -0.000 0.000 0.276 274 R C 0.512 176.805 176.300 -0.012 0.000 1.116 274 R CA 0.434 56.519 56.100 -0.025 0.000 0.745 274 R CB -1.716 28.590 30.300 0.010 0.000 1.185 274 R HN 0.273 nan 8.270 nan 0.000 0.454 275 R N 0.589 121.084 120.500 -0.008 0.000 2.300 275 R HA 0.214 4.554 4.340 -0.000 0.000 0.199 275 R C 1.178 177.498 176.300 0.035 0.000 0.920 275 R CA 0.890 57.002 56.100 0.021 0.000 1.046 275 R CB 0.271 30.591 30.300 0.033 0.000 0.984 275 R HN 0.436 nan 8.270 nan 0.000 0.493 276 I N -4.472 116.108 120.570 0.017 0.000 3.145 276 I HA 0.399 4.569 4.170 -0.000 0.000 0.313 276 I C -0.451 175.639 176.117 -0.045 0.000 1.122 276 I CA -0.963 60.341 61.300 0.007 0.000 0.987 276 I CB 2.343 40.349 38.000 0.010 0.000 1.236 276 I HN -0.255 nan 8.210 nan 0.000 0.453 277 D N 0.990 121.355 120.400 -0.058 0.000 2.455 277 D HA 0.237 4.877 4.640 -0.000 0.000 0.228 277 D C -0.619 175.398 176.300 -0.472 0.000 1.070 277 D CA 1.125 55.005 54.000 -0.200 0.000 0.881 277 D CB 0.995 41.752 40.800 -0.073 0.000 1.087 277 D HN 0.292 nan 8.370 nan 0.000 0.498 278 F N 0.873 120.648 119.950 -0.292 0.000 2.539 278 F HA 0.349 4.876 4.527 -0.000 0.000 0.318 278 F C -0.216 175.344 175.800 -0.401 0.000 1.135 278 F CA -1.136 56.619 58.000 -0.410 0.000 0.915 278 F CB 1.942 40.530 39.000 -0.687 0.000 1.176 278 F HN -0.306 nan 8.300 nan 0.000 0.440 279 I N 4.204 124.636 120.570 -0.230 0.000 2.428 279 I HA 0.445 4.615 4.170 -0.000 0.000 0.289 279 I C 0.342 176.292 176.117 -0.279 0.000 1.019 279 I CA -0.098 61.064 61.300 -0.231 0.000 1.351 279 I CB 0.626 38.476 38.000 -0.251 0.000 1.412 279 I HN 0.515 nan 8.210 nan 0.000 0.513 280 R N 5.461 125.851 120.500 -0.185 0.000 2.616 280 R HA 0.253 4.593 4.340 -0.000 0.000 0.427 280 R C -0.526 175.848 176.300 0.123 0.000 1.030 280 R CA -0.292 55.754 56.100 -0.091 0.000 1.133 280 R CB -0.610 29.630 30.300 -0.099 0.000 1.444 280 R HN 0.596 nan 8.270 nan 0.000 0.578 281 C N 1.477 120.882 119.300 0.175 0.000 2.741 281 C HA 0.091 4.551 4.460 -0.000 0.000 0.403 281 C C 1.071 176.295 174.990 0.390 0.000 1.282 281 C CA 0.057 59.259 59.018 0.307 0.000 2.053 281 C CB -0.140 27.799 27.740 0.331 0.000 2.731 281 C HN 0.376 nan 8.230 nan 0.000 0.680 282 H N 0.715 119.896 119.070 0.183 0.000 2.562 282 H HA 0.137 4.693 4.556 -0.000 0.000 0.314 282 H C 0.957 176.242 175.328 -0.073 0.000 1.079 282 H CA -0.370 55.735 56.048 0.095 0.000 1.349 282 H CB 1.214 31.006 29.762 0.051 0.000 1.432 282 H HN 0.469 nan 8.280 nan 0.000 0.479 283 V N 3.011 122.819 119.914 -0.177 0.000 2.324 283 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 283 V C 2.148 178.174 176.094 -0.114 0.000 1.060 283 V CA 1.921 63.996 62.300 -0.376 0.000 1.042 283 V CB -0.363 31.122 31.823 -0.564 0.000 0.650 283 V HN 0.708 nan 8.190 nan 0.000 0.450 284 S N -1.174 114.523 115.700 -0.006 0.000 2.402 284 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 284 S C 1.974 176.596 174.600 0.036 0.000 1.021 284 S CA 0.984 59.203 58.200 0.032 0.000 0.974 284 S CB -0.238 62.987 63.200 0.041 0.000 0.800 284 S HN 0.575 nan 8.310 nan 0.000 0.484 285 Q N 0.711 120.535 119.800 0.040 0.000 2.297 285 Q HA 0.025 4.365 4.340 -0.000 0.000 0.204 285 Q C 1.994 178.069 176.000 0.124 0.000 0.962 285 Q CA 0.806 56.621 55.803 0.019 0.000 0.879 285 Q CB -0.267 28.469 28.738 -0.003 0.000 0.947 285 Q HN 0.791 nan 8.270 nan 0.000 0.462 286 I N -5.023 115.645 120.570 0.163 0.000 3.883 286 I HA 0.379 4.549 4.170 -0.000 0.000 0.326 286 I C 0.971 177.276 176.117 0.314 0.000 1.283 286 I CA 0.725 62.193 61.300 0.280 0.000 1.161 286 I CB 0.490 38.631 38.000 0.235 0.000 1.012 286 I HN 0.095 nan 8.210 nan 0.000 0.421 287 G N 0.552 109.499 108.800 0.245 0.000 2.175 287 G HA2 0.164 4.124 3.960 -0.000 0.000 0.182 287 G HA3 0.164 4.124 3.960 -0.000 0.000 0.182 287 G C 0.540 175.688 174.900 0.412 0.000 1.003 287 G CA -0.412 44.931 45.100 0.405 0.000 0.666 287 G HN 1.427 nan 8.290 nan 0.000 0.506 288 G N -0.950 107.935 108.800 0.140 0.000 2.396 288 G HA2 0.104 4.064 3.960 -0.000 0.000 0.254 288 G HA3 0.104 4.064 3.960 -0.000 0.000 0.254 288 G C 0.782 175.604 174.900 -0.131 0.000 1.248 288 G CA -0.034 45.096 45.100 0.050 0.000 1.033 288 G HN 0.864 nan 8.290 nan 0.000 0.502 289 I N 0.751 121.242 120.570 -0.133 0.000 2.226 289 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 289 I C 3.074 178.961 176.117 -0.382 0.000 1.100 289 I CA 2.237 63.329 61.300 -0.347 0.000 1.374 289 I CB -0.540 37.143 38.000 -0.528 0.000 1.057 289 I HN 0.656 nan 8.210 nan 0.000 0.413 290 T N 1.684 116.111 114.554 -0.211 0.000 2.652 290 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 290 T C -0.417 173.982 174.700 -0.500 0.000 1.039 290 T CA 1.802 63.729 62.100 -0.289 0.000 1.153 290 T CB -1.307 67.271 68.868 -0.484 0.000 0.863 290 T HN 0.325 nan 8.240 nan 0.000 0.428 291 P HA 0.094 nan 4.420 nan 0.000 0.221 291 P C 1.347 178.489 177.300 -0.264 0.000 1.150 291 P CA 1.082 63.963 63.100 -0.365 0.000 0.800 291 P CB -0.121 31.509 31.700 -0.117 0.000 0.787 292 A N 0.440 123.055 122.820 -0.342 0.000 1.902 292 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 292 A C 2.408 179.850 177.584 -0.237 0.000 1.181 292 A CA 1.280 53.093 52.037 -0.375 0.000 0.623 292 A CB -1.601 16.997 19.000 -0.670 0.000 0.818 292 A HN 0.114 nan 8.150 nan 0.000 0.443 293 L N -0.591 120.397 121.223 -0.392 0.000 2.046 293 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 293 L C 2.609 179.165 176.870 -0.524 0.000 1.077 293 L CA 1.854 56.393 54.840 -0.502 0.000 0.747 293 L CB -0.436 41.250 42.059 -0.620 0.000 0.896 293 L HN 0.353 nan 8.230 nan 0.000 0.432 294 K N -0.342 119.868 120.400 -0.317 0.000 2.026 294 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 294 K C 2.035 178.601 176.600 -0.056 0.000 1.048 294 K CA 1.241 57.437 56.287 -0.152 0.000 0.929 294 K CB -0.407 32.067 32.500 -0.042 0.000 0.713 294 K HN 0.070 nan 8.250 nan 0.000 0.439 295 L N 1.271 122.454 121.223 -0.066 0.000 2.046 295 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 295 L C 2.151 178.997 176.870 -0.039 0.000 1.077 295 L CA 2.069 56.864 54.840 -0.075 0.000 0.747 295 L CB -1.191 40.723 42.059 -0.243 0.000 0.896 295 L HN 0.227 nan 8.230 nan 0.000 0.432 296 G N -1.442 107.345 108.800 -0.021 0.000 2.476 296 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.218 296 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.218 296 G C 1.470 176.381 174.900 0.018 0.000 1.164 296 G CA 1.273 46.351 45.100 -0.037 0.000 0.768 296 G HN 0.662 nan 8.290 nan 0.000 0.560 297 H N -0.744 118.321 119.070 -0.008 0.000 2.387 297 H HA -0.025 4.531 4.556 -0.000 0.000 0.299 297 H C 2.452 177.780 175.328 -0.001 0.000 1.090 297 H CA 0.757 56.795 56.048 -0.016 0.000 1.332 297 H CB 0.037 29.793 29.762 -0.010 0.000 1.386 297 H HN 0.303 nan 8.280 nan 0.000 0.516 298 L N 0.378 121.696 121.223 0.158 0.000 2.046 298 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 298 L C 2.184 179.173 176.870 0.199 0.000 1.077 298 L CA 1.321 56.281 54.840 0.199 0.000 0.747 298 L CB -0.597 41.608 42.059 0.245 0.000 0.896 298 L HN 0.324 nan 8.230 nan 0.000 0.432 299 C N -0.668 118.690 119.300 0.097 0.000 2.429 299 C HA -0.194 4.266 4.460 -0.000 0.000 0.277 299 C C 2.795 177.800 174.990 0.024 0.000 1.262 299 C CA 1.220 60.264 59.018 0.043 0.000 1.733 299 C CB -0.871 26.816 27.740 -0.087 0.000 2.010 299 C HN 0.697 nan 8.230 nan 0.000 0.483 300 Q N 1.055 120.860 119.800 0.007 0.000 2.084 300 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 300 Q C 2.247 178.195 176.000 -0.088 0.000 0.978 300 Q CA 1.593 57.379 55.803 -0.028 0.000 0.844 300 Q CB -0.483 28.233 28.738 -0.037 0.000 0.898 300 Q HN 0.756 nan 8.270 nan 0.000 0.426 301 N N -0.721 117.902 118.700 -0.127 0.000 2.137 301 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 301 N C 0.911 176.158 175.510 -0.439 0.000 1.017 301 N CA 1.210 54.062 53.050 -0.330 0.000 0.859 301 N CB -0.033 38.172 38.487 -0.470 0.000 1.002 301 N HN 0.242 nan 8.380 nan 0.000 0.428 302 F N -0.571 119.363 119.950 -0.027 0.000 2.721 302 F HA 0.326 4.853 4.527 -0.000 0.000 0.301 302 F C 1.657 177.426 175.800 -0.051 0.000 1.096 302 F CA 0.569 58.553 58.000 -0.028 0.000 1.308 302 F CB 0.433 39.427 39.000 -0.009 0.000 1.086 302 F HN 0.143 nan 8.300 nan 0.000 0.587 303 G N 0.965 109.795 108.800 0.050 0.000 2.142 303 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.225 303 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.225 303 G C -0.292 174.564 174.900 -0.072 0.000 1.015 303 G CA 0.043 45.133 45.100 -0.017 0.000 0.716 303 G HN 0.121 nan 8.290 nan 0.000 0.508 304 V N 0.218 120.087 119.914 -0.074 0.000 2.532 304 V HA 0.655 4.775 4.120 -0.000 0.000 0.295 304 V C 0.945 176.874 176.094 -0.276 0.000 1.041 304 V CA -0.743 61.450 62.300 -0.179 0.000 0.926 304 V CB 1.600 33.361 31.823 -0.104 0.000 0.992 304 V HN 0.424 nan 8.190 nan 0.000 0.457 305 R N 2.873 123.079 120.500 -0.490 0.000 2.553 305 R HA 0.705 5.045 4.340 -0.000 0.000 0.263 305 R C -0.890 175.159 176.300 -0.418 0.000 1.066 305 R CA -0.558 55.237 56.100 -0.509 0.000 1.135 305 R CB 1.225 31.032 30.300 -0.822 0.000 1.148 305 R HN 0.584 nan 8.270 nan 0.000 0.558 306 I N 0.716 121.083 120.570 -0.338 0.000 2.406 306 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 306 I C -0.470 175.414 176.117 -0.389 0.000 0.999 306 I CA -0.440 60.551 61.300 -0.515 0.000 1.124 306 I CB 2.149 39.720 38.000 -0.715 0.000 1.289 306 I HN 0.609 nan 8.210 nan 0.000 0.441 307 A N 6.262 128.824 122.820 -0.430 0.000 3.300 307 A HA 0.399 4.719 4.320 -0.000 0.000 0.300 307 A C -1.217 176.242 177.584 -0.208 0.000 1.099 307 A CA -0.487 51.434 52.037 -0.193 0.000 0.846 307 A CB -0.055 18.957 19.000 0.020 0.000 1.255 307 A HN 0.734 nan 8.150 nan 0.000 0.519 308 W N 0.669 121.919 121.300 -0.083 0.000 2.231 308 W HA 0.267 4.927 4.660 -0.000 0.000 0.341 308 W C 0.891 177.286 176.519 -0.207 0.000 1.298 308 W CA 0.292 57.560 57.345 -0.128 0.000 1.266 308 W CB 0.251 29.652 29.460 -0.098 0.000 1.172 308 W HN 0.601 nan 8.180 nan 0.000 0.568 309 H N 1.423 120.480 119.070 -0.022 0.000 2.815 309 H HA 0.159 4.715 4.556 -0.000 0.000 0.350 309 H C -0.398 174.762 175.328 -0.280 0.000 1.080 309 H CA 0.421 56.295 56.048 -0.291 0.000 1.433 309 H CB 0.512 29.757 29.762 -0.861 0.000 1.432 309 H HN 0.353 nan 8.280 nan 0.000 0.592 310 C N 7.550 126.837 119.300 -0.021 0.000 2.647 310 C HA 0.273 4.733 4.460 -0.000 0.000 0.273 310 C C -2.221 172.790 174.990 0.035 0.000 1.088 310 C CA -1.569 57.445 59.018 -0.006 0.000 1.529 310 C CB -0.361 27.354 27.740 -0.042 0.000 1.810 310 C HN 0.666 nan 8.230 nan 0.000 0.422 311 P HA 0.269 nan 4.420 nan 0.000 0.276 311 P C -2.113 175.129 177.300 -0.097 0.000 1.261 311 P CA -1.035 62.113 63.100 0.081 0.000 0.800 311 P CB 0.616 32.443 31.700 0.211 0.000 1.066 312 P HA -0.092 nan 4.420 nan 0.000 0.230 312 P C 0.693 177.712 177.300 -0.468 0.000 1.158 312 P CA 1.220 64.068 63.100 -0.420 0.000 0.769 312 P CB -0.206 31.161 31.700 -0.555 0.000 0.807 313 D N -1.671 118.511 120.400 -0.364 0.000 2.328 313 D HA -0.008 4.631 4.640 -0.000 0.000 0.226 313 D C 0.731 177.011 176.300 -0.034 0.000 1.066 313 D CA -0.226 53.688 54.000 -0.144 0.000 0.861 313 D CB -0.519 40.285 40.800 0.005 0.000 0.912 313 D HN 0.191 nan 8.370 nan 0.000 0.521 314 M N 2.199 121.777 119.600 -0.036 0.000 2.238 314 M HA 0.106 4.586 4.480 -0.000 0.000 0.347 314 M C 0.155 176.421 176.300 -0.057 0.000 1.173 314 M CA -0.063 55.229 55.300 -0.013 0.000 1.147 314 M CB 1.009 33.616 32.600 0.012 0.000 1.547 314 M HN -0.007 nan 8.290 nan 0.000 0.455 315 T N 1.751 116.195 114.554 -0.184 0.000 2.902 315 T HA 0.451 4.801 4.350 -0.000 0.000 0.280 315 T C -2.211 172.212 174.700 -0.462 0.000 0.992 315 T CA -1.646 60.151 62.100 -0.504 0.000 1.015 315 T CB 0.799 69.096 68.868 -0.952 0.000 1.044 315 T HN 0.509 nan 8.240 nan 0.000 0.520 316 P HA 0.030 nan 4.420 nan 0.000 0.223 316 P C 1.329 178.460 177.300 -0.282 0.000 1.144 316 P CA 0.812 63.577 63.100 -0.558 0.000 0.783 316 P CB -0.114 31.160 31.700 -0.709 0.000 0.771 317 I N -1.542 118.834 120.570 -0.323 0.000 2.406 317 I HA -0.087 4.083 4.170 -0.000 0.000 0.249 317 I C 2.402 178.502 176.117 -0.029 0.000 1.122 317 I CA 1.462 62.702 61.300 -0.100 0.000 1.431 317 I CB -0.940 37.045 38.000 -0.025 0.000 1.087 317 I HN 0.006 nan 8.210 nan 0.000 0.424 318 G N 0.507 109.268 108.800 -0.065 0.000 2.403 318 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 318 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 318 G C 1.863 176.766 174.900 0.006 0.000 1.154 318 G CA 0.743 45.836 45.100 -0.012 0.000 0.784 318 G HN 0.452 nan 8.290 nan 0.000 0.538 319 A N 1.265 124.087 122.820 0.003 0.000 1.898 319 A HA 0.292 4.612 4.320 -0.000 0.000 0.216 319 A C 2.811 180.422 177.584 0.044 0.000 1.181 319 A CA 2.164 54.227 52.037 0.044 0.000 0.620 319 A CB -0.795 18.276 19.000 0.118 0.000 0.819 319 A HN 0.727 nan 8.150 nan 0.000 0.442 320 A N -0.468 122.373 122.820 0.036 0.000 1.908 320 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 320 A C 2.232 179.889 177.584 0.122 0.000 1.181 320 A CA 1.851 53.915 52.037 0.046 0.000 0.627 320 A CB -1.044 18.001 19.000 0.075 0.000 0.818 320 A HN 0.403 nan 8.150 nan 0.000 0.445 321 V N 0.866 120.876 119.914 0.161 0.000 2.287 321 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 321 V C 2.326 178.511 176.094 0.151 0.000 1.053 321 V CA 2.402 64.818 62.300 0.192 0.000 1.027 321 V CB -1.086 30.796 31.823 0.098 0.000 0.646 321 V HN 0.580 nan 8.190 nan 0.000 0.447 322 N N -0.145 118.602 118.700 0.078 0.000 2.166 322 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 322 N C 1.892 177.484 175.510 0.136 0.000 1.019 322 N CA 1.836 54.944 53.050 0.095 0.000 0.856 322 N CB -0.661 37.877 38.487 0.084 0.000 0.993 322 N HN 0.463 nan 8.380 nan 0.000 0.426 323 T N 0.383 114.978 114.554 0.068 0.000 2.746 323 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 323 T C 1.459 176.165 174.700 0.011 0.000 1.039 323 T CA 1.035 63.138 62.100 0.006 0.000 1.142 323 T CB -0.342 68.485 68.868 -0.068 0.000 0.866 323 T HN 0.347 nan 8.240 nan 0.000 0.444 324 H N 0.910 120.058 119.070 0.129 0.000 2.353 324 H HA 0.009 4.565 4.556 -0.000 0.000 0.298 324 H C 2.331 177.851 175.328 0.319 0.000 1.103 324 H CA 1.126 57.297 56.048 0.204 0.000 1.293 324 H CB -0.506 29.377 29.762 0.201 0.000 1.372 324 H HN 0.306 nan 8.280 nan 0.000 0.501 325 L N 0.194 121.661 121.223 0.407 0.000 2.093 325 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 325 L C 2.064 179.101 176.870 0.280 0.000 1.085 325 L CA 1.013 56.052 54.840 0.332 0.000 0.755 325 L CB -0.316 41.873 42.059 0.217 0.000 0.904 325 L HN 0.271 nan 8.230 nan 0.000 0.435 326 N N -0.636 118.192 118.700 0.214 0.000 2.331 326 N HA -0.136 4.604 4.740 -0.000 0.000 0.180 326 N C 1.751 177.294 175.510 0.055 0.000 1.019 326 N CA 1.118 54.238 53.050 0.117 0.000 0.881 326 N CB 0.158 38.694 38.487 0.080 0.000 0.972 326 N HN 0.258 nan 8.380 nan 0.000 0.435 327 V N -1.980 117.963 119.914 0.049 0.000 3.052 327 V HA -0.007 4.113 4.120 -0.000 0.000 0.254 327 V C 1.900 178.041 176.094 0.079 0.000 1.100 327 V CA 1.243 63.535 62.300 -0.014 0.000 1.112 327 V CB -0.495 31.233 31.823 -0.158 0.000 0.738 327 V HN 0.233 nan 8.190 nan 0.000 0.469 328 H N 1.017 120.158 119.070 0.119 0.000 2.294 328 H HA 0.278 4.834 4.556 -0.000 0.000 0.306 328 H C 0.881 176.289 175.328 0.132 0.000 1.065 328 H CA 1.019 57.180 56.048 0.189 0.000 1.343 328 H CB -0.259 29.721 29.762 0.363 0.000 1.396 328 H HN 0.430 nan 8.280 nan 0.000 0.506 329 L N 1.583 122.808 121.223 0.003 0.000 2.410 329 L HA 0.010 4.350 4.340 -0.000 0.000 0.273 329 L C 1.536 178.378 176.870 -0.046 0.000 1.144 329 L CA 0.178 54.979 54.840 -0.065 0.000 0.863 329 L CB 0.534 42.615 42.059 0.036 0.000 1.140 329 L HN 0.496 nan 8.230 nan 0.000 0.463 330 H N 3.142 122.131 119.070 -0.135 0.000 2.321 330 H HA -0.210 4.346 4.556 -0.000 0.000 0.295 330 H C 1.402 176.680 175.328 -0.085 0.000 1.102 330 H CA 2.325 58.313 56.048 -0.100 0.000 1.266 330 H CB 0.268 29.976 29.762 -0.089 0.000 1.363 330 H HN 0.627 nan 8.280 nan 0.000 0.492 331 N N 0.155 118.872 118.700 0.028 0.000 2.322 331 N HA 0.134 4.874 4.740 -0.000 0.000 0.194 331 N C -0.363 175.065 175.510 -0.138 0.000 1.126 331 N CA 0.130 53.142 53.050 -0.063 0.000 0.845 331 N CB 0.321 38.775 38.487 -0.055 0.000 0.976 331 N HN 0.281 nan 8.380 nan 0.000 0.475 332 A N 0.474 123.221 122.820 -0.122 0.000 2.520 332 A HA 0.407 4.727 4.320 -0.000 0.000 0.245 332 A C 0.983 178.517 177.584 -0.084 0.000 1.072 332 A CA 0.154 52.113 52.037 -0.130 0.000 0.761 332 A CB 0.539 19.502 19.000 -0.061 0.000 1.004 332 A HN 0.315 nan 8.150 nan 0.000 0.499 333 A N 2.497 125.291 122.820 -0.043 0.000 1.999 333 A HA 0.627 4.947 4.320 -0.000 0.000 0.200 333 A C 0.523 178.138 177.584 0.053 0.000 1.363 333 A CA 0.939 53.017 52.037 0.069 0.000 0.844 333 A CB 0.082 19.244 19.000 0.271 0.000 0.954 333 A HN 1.172 nan 8.150 nan 0.000 0.481 334 I N -1.287 119.304 120.570 0.036 0.000 2.908 334 I HA 0.379 4.549 4.170 -0.000 0.000 0.300 334 I C -1.717 174.401 176.117 0.001 0.000 1.385 334 I CA -0.508 60.773 61.300 -0.031 0.000 1.004 334 I CB 2.174 40.147 38.000 -0.044 0.000 1.309 334 I HN 0.310 nan 8.210 nan 0.000 0.449 335 Q N 4.382 124.150 119.800 -0.053 0.000 2.387 335 Q HA 0.426 4.766 4.340 -0.000 0.000 0.273 335 Q C -1.403 174.449 176.000 -0.247 0.000 1.089 335 Q CA -0.683 55.080 55.803 -0.067 0.000 0.824 335 Q CB 1.994 30.705 28.738 -0.044 0.000 1.367 335 Q HN 0.618 nan 8.270 nan 0.000 0.443 336 E N 2.087 122.072 120.200 -0.359 0.000 2.216 336 E HA 0.085 4.435 4.350 -0.000 0.000 0.279 336 E C -1.096 175.236 176.600 -0.447 0.000 0.997 336 E CA -0.505 55.385 56.400 -0.849 0.000 0.817 336 E CB 0.853 30.201 29.700 -0.587 0.000 1.096 336 E HN 0.665 nan 8.360 nan 0.000 0.393 337 H N 3.680 122.371 119.070 -0.631 0.000 2.803 337 H HA 0.189 4.745 4.556 -0.000 0.000 0.330 337 H C -1.026 174.155 175.328 -0.244 0.000 1.057 337 H CA -0.447 55.379 56.048 -0.371 0.000 1.458 337 H CB 0.712 30.204 29.762 -0.449 0.000 1.470 337 H HN 0.203 nan 8.280 nan 0.000 0.560 338 V N 5.601 125.114 119.914 -0.668 0.000 2.350 338 V HA 0.022 4.141 4.120 -0.000 0.000 0.285 338 V C 0.024 175.306 176.094 -1.353 0.000 1.014 338 V CA -0.883 60.896 62.300 -0.868 0.000 0.831 338 V CB 1.194 32.633 31.823 -0.640 0.000 1.000 338 V HN 0.757 nan 8.190 nan 0.000 0.433 339 E N 3.757 123.328 120.200 -1.049 0.000 2.417 339 E HA 0.155 4.505 4.350 -0.000 0.000 0.261 339 E C -1.317 174.956 176.600 -0.546 0.000 1.000 339 E CA 0.617 56.632 56.400 -0.642 0.000 0.919 339 E CB 0.152 29.702 29.700 -0.250 0.000 0.955 339 E HN 0.560 nan 8.360 nan 0.000 0.455 340 Y N 3.831 124.070 120.300 -0.102 0.000 2.341 340 Y HA 0.245 4.795 4.550 -0.000 0.000 0.338 340 Y C 0.592 176.467 175.900 -0.041 0.000 0.965 340 Y CA -1.459 56.531 58.100 -0.183 0.000 1.108 340 Y CB 1.090 39.243 38.460 -0.510 0.000 1.180 340 Y HN 0.537 nan 8.280 nan 0.000 0.458 341 N N 0.418 119.187 118.700 0.116 0.000 2.379 341 N HA 0.209 4.949 4.740 -0.000 0.000 0.260 341 N C 1.242 176.861 175.510 0.182 0.000 1.254 341 N CA -0.064 53.061 53.050 0.124 0.000 0.958 341 N CB 0.553 39.071 38.487 0.051 0.000 1.208 341 N HN 0.696 nan 8.380 nan 0.000 0.532 342 G N -0.413 108.488 108.800 0.169 0.000 2.422 342 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 342 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 342 G C 1.161 176.122 174.900 0.102 0.000 1.146 342 G CA 0.464 45.671 45.100 0.178 0.000 0.769 342 G HN 0.640 nan 8.290 nan 0.000 0.547 343 N N 0.644 119.337 118.700 -0.012 0.000 2.084 343 N HA -0.099 4.641 4.740 -0.000 0.000 0.190 343 N C 2.395 177.784 175.510 -0.202 0.000 1.030 343 N CA 1.733 54.666 53.050 -0.194 0.000 0.849 343 N CB -0.829 37.333 38.487 -0.542 0.000 1.012 343 N HN 0.228 nan 8.380 nan 0.000 0.423 344 T N 1.147 115.618 114.554 -0.138 0.000 2.720 344 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 344 T C 1.611 176.279 174.700 -0.054 0.000 1.037 344 T CA 1.105 63.168 62.100 -0.062 0.000 1.144 344 T CB -0.348 68.485 68.868 -0.059 0.000 0.864 344 T HN 0.350 nan 8.240 nan 0.000 0.444 345 H N 0.876 119.965 119.070 0.031 0.000 2.353 345 H HA 0.024 4.580 4.556 0.000 0.000 0.300 345 H C 2.453 177.789 175.328 0.013 0.000 1.090 345 H CA 1.469 57.532 56.048 0.025 0.000 1.327 345 H CB -0.119 29.669 29.762 0.045 0.000 1.383 345 H HN 0.365 nan 8.280 nan 0.000 0.508 346 K N 0.855 121.324 120.400 0.115 0.000 2.057 346 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 346 K C 2.108 178.695 176.600 -0.023 0.000 1.050 346 K CA 1.101 57.424 56.287 0.059 0.000 0.935 346 K CB 0.042 32.593 32.500 0.085 0.000 0.715 346 K HN -0.031 nan 8.250 nan 0.000 0.439 347 V N 0.616 120.474 119.914 -0.093 0.000 2.594 347 V HA -0.137 3.983 4.120 -0.000 0.000 0.253 347 V C 0.414 176.132 176.094 -0.626 0.000 1.069 347 V CA 1.302 63.400 62.300 -0.337 0.000 1.082 347 V CB -0.416 31.170 31.823 -0.396 0.000 0.680 347 V HN 0.192 nan 8.190 nan 0.000 0.469 348 F N -0.320 119.575 119.950 -0.092 0.000 2.931 348 F HA 0.462 4.989 4.527 -0.000 0.000 0.375 348 F C -2.675 173.063 175.800 -0.103 0.000 1.243 348 F CA -2.420 55.500 58.000 -0.133 0.000 1.206 348 F CB 0.855 39.727 39.000 -0.213 0.000 1.643 348 F HN -0.009 nan 8.300 nan 0.000 0.593 349 P HA 0.195 nan 4.420 nan 0.000 0.272 349 P C -0.040 177.295 177.300 0.058 0.000 1.230 349 P CA 0.073 63.207 63.100 0.057 0.000 0.788 349 P CB 0.509 32.215 31.700 0.010 0.000 0.949 350 N N -2.141 116.600 118.700 0.069 0.000 2.741 350 N HA -0.195 4.545 4.740 -0.000 0.000 0.250 350 N C -0.300 175.255 175.510 0.075 0.000 1.115 350 N CA 1.125 54.212 53.050 0.061 0.000 0.724 350 N CB -2.063 36.446 38.487 0.037 0.000 1.090 350 N HN 0.573 nan 8.380 nan 0.000 0.558 351 A N -0.124 122.760 122.820 0.106 0.000 2.491 351 A HA 0.588 4.908 4.320 -0.000 0.000 0.261 351 A C 1.023 178.710 177.584 0.173 0.000 1.101 351 A CA 0.348 52.430 52.037 0.076 0.000 0.772 351 A CB 0.259 19.209 19.000 -0.084 0.000 1.043 351 A HN 0.546 nan 8.150 nan 0.000 0.501 352 A N 3.443 126.350 122.820 0.145 0.000 2.462 352 A HA 0.496 4.816 4.320 -0.000 0.000 0.243 352 A C 0.393 178.120 177.584 0.239 0.000 1.076 352 A CA -0.073 52.063 52.037 0.165 0.000 0.773 352 A CB 0.164 19.244 19.000 0.134 0.000 1.010 352 A HN 0.817 nan 8.150 nan 0.000 0.493 353 E N 1.387 121.716 120.200 0.215 0.000 2.244 353 E HA 0.425 4.775 4.350 -0.000 0.000 0.266 353 E C -2.619 174.101 176.600 0.200 0.000 0.914 353 E CA -1.862 54.681 56.400 0.238 0.000 0.794 353 E CB 1.122 30.955 29.700 0.222 0.000 1.210 353 E HN 0.397 nan 8.360 nan 0.000 0.414 354 P HA 0.127 nan 4.420 nan 0.000 0.268 354 P C -0.530 176.825 177.300 0.091 0.000 1.208 354 P CA 0.382 63.572 63.100 0.150 0.000 0.777 354 P CB 0.426 32.221 31.700 0.159 0.000 0.875 355 I N 2.255 122.893 120.570 0.113 0.000 2.476 355 I HA 0.207 4.377 4.170 -0.000 0.000 0.281 355 I C 0.114 176.285 176.117 0.090 0.000 1.040 355 I CA -0.527 60.830 61.300 0.094 0.000 1.094 355 I CB 1.029 39.120 38.000 0.151 0.000 1.219 355 I HN 0.344 nan 8.210 nan 0.000 0.450 356 N N 4.879 123.545 118.700 -0.056 0.000 2.740 356 N HA -0.200 4.540 4.740 -0.000 0.000 0.248 356 N C 0.805 176.260 175.510 -0.091 0.000 1.062 356 N CA 1.445 54.459 53.050 -0.061 0.000 0.704 356 N CB -0.621 37.915 38.487 0.082 0.000 0.968 356 N HN 1.130 nan 8.380 nan 0.000 0.547 357 G N -2.571 105.978 108.800 -0.419 0.000 2.159 357 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.256 357 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.256 357 G C -0.281 174.321 174.900 -0.496 0.000 0.977 357 G CA 0.490 45.268 45.100 -0.536 0.000 0.652 357 G HN 0.512 nan 8.290 nan 0.000 0.531 358 Y N -0.996 119.250 120.300 -0.089 0.000 2.462 358 Y HA 0.712 5.262 4.550 -0.000 0.000 0.346 358 Y C 0.456 176.343 175.900 -0.023 0.000 0.976 358 Y CA -1.071 56.977 58.100 -0.085 0.000 1.044 358 Y CB 1.768 40.128 38.460 -0.166 0.000 1.230 358 Y HN 0.092 nan 8.280 nan 0.000 0.455 359 L N 3.378 124.639 121.223 0.064 0.000 2.307 359 L HA 0.448 4.788 4.340 -0.000 0.000 0.284 359 L C -1.232 175.606 176.870 -0.054 0.000 1.023 359 L CA -0.801 54.091 54.840 0.087 0.000 0.810 359 L CB 0.933 43.025 42.059 0.056 0.000 1.231 359 L HN 0.597 nan 8.230 nan 0.000 0.423 360 Y N 1.599 121.916 120.300 0.029 0.000 2.361 360 Y HA 0.520 5.070 4.550 -0.000 0.000 0.332 360 Y C 0.665 176.524 175.900 -0.069 0.000 1.101 360 Y CA -0.606 57.483 58.100 -0.018 0.000 1.137 360 Y CB 1.584 40.039 38.460 -0.008 0.000 1.207 360 Y HN 0.582 nan 8.280 nan 0.000 0.463 361 A N 1.915 124.718 122.820 -0.029 0.000 2.425 361 A HA 0.330 4.650 4.320 -0.000 0.000 0.249 361 A C 0.513 178.093 177.584 -0.006 0.000 1.084 361 A CA -0.303 51.627 52.037 -0.179 0.000 0.781 361 A CB 0.018 18.781 19.000 -0.395 0.000 1.019 361 A HN 0.736 nan 8.150 nan 0.000 0.490 362 S N 0.551 116.219 115.700 -0.054 0.000 2.558 362 S HA 0.062 4.532 4.470 -0.000 0.000 0.288 362 S C 0.529 175.275 174.600 0.243 0.000 1.318 362 S CA 0.128 58.391 58.200 0.105 0.000 1.056 362 S CB 0.233 63.511 63.200 0.129 0.000 0.853 362 S HN 0.622 nan 8.310 nan 0.000 0.505 363 E N 2.482 122.788 120.200 0.178 0.000 2.538 363 E HA 0.202 4.552 4.350 -0.000 0.000 0.207 363 E C 0.599 177.258 176.600 0.098 0.000 1.002 363 E CA -0.081 56.419 56.400 0.167 0.000 0.952 363 E CB 0.066 29.843 29.700 0.129 0.000 1.031 363 E HN 0.805 nan 8.360 nan 0.000 0.476 364 I N -1.999 118.626 120.570 0.091 0.000 3.223 364 I HA 0.568 4.738 4.170 -0.000 0.000 0.317 364 I C 0.507 176.647 176.117 0.038 0.000 1.050 364 I CA -1.171 60.162 61.300 0.055 0.000 1.069 364 I CB 0.671 38.701 38.000 0.050 0.000 1.406 364 I HN -0.247 nan 8.210 nan 0.000 0.596 365 A N 1.913 124.744 122.820 0.018 0.000 2.511 365 A HA 0.542 4.862 4.320 -0.000 0.000 0.242 365 A C 0.744 178.330 177.584 0.004 0.000 1.069 365 A CA 0.613 52.648 52.037 -0.004 0.000 0.763 365 A CB -1.073 17.929 19.000 0.003 0.000 1.001 365 A HN 1.833 nan 8.150 nan 0.000 0.498 366 G N 0.752 109.528 108.800 -0.040 0.000 2.568 366 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.222 366 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.222 366 G C 0.667 175.535 174.900 -0.054 0.000 1.321 366 G CA -0.017 45.071 45.100 -0.021 0.000 0.893 366 G HN 0.948 nan 8.290 nan 0.000 0.569 367 I N 1.387 121.976 120.570 0.032 0.000 2.315 367 I HA 0.151 4.321 4.170 -0.000 0.000 0.248 367 I C 2.570 178.829 176.117 0.238 0.000 1.117 367 I CA 2.095 63.464 61.300 0.115 0.000 1.404 367 I CB -0.488 37.605 38.000 0.157 0.000 1.071 367 I HN 2.037 nan 8.210 nan 0.000 0.419 368 G N 0.513 109.395 108.800 0.137 0.000 2.195 368 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.224 368 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.224 368 G C 0.122 175.055 174.900 0.056 0.000 0.990 368 G CA -0.015 45.153 45.100 0.114 0.000 0.639 368 G HN 0.180 nan 8.290 nan 0.000 0.514 369 V N 0.884 120.816 119.914 0.031 0.000 2.760 369 V HA 0.690 4.810 4.120 -0.000 0.000 0.309 369 V C -0.129 175.881 176.094 -0.140 0.000 1.077 369 V CA -0.848 61.439 62.300 -0.022 0.000 0.910 369 V CB 1.881 33.707 31.823 0.004 0.000 1.008 369 V HN 0.390 nan 8.190 nan 0.000 0.424 370 E N 2.693 122.733 120.200 -0.267 0.000 2.449 370 E HA 0.636 4.985 4.350 -0.000 0.000 0.254 370 E C -1.175 175.235 176.600 -0.317 0.000 0.907 370 E CA -1.007 54.965 56.400 -0.713 0.000 0.840 370 E CB 3.162 32.263 29.700 -0.999 0.000 1.459 370 E HN 0.548 nan 8.360 nan 0.000 0.407 371 I N 0.996 121.321 120.570 -0.409 0.000 2.474 371 I HA 0.176 4.346 4.170 -0.000 0.000 0.294 371 I C -1.087 174.891 176.117 -0.231 0.000 1.005 371 I CA -0.549 60.576 61.300 -0.291 0.000 1.113 371 I CB 1.411 39.342 38.000 -0.115 0.000 1.289 371 I HN 0.397 nan 8.210 nan 0.000 0.436 372 D N 7.352 127.588 120.400 -0.273 0.000 2.380 372 D HA 0.135 4.775 4.640 -0.000 0.000 0.230 372 D C 0.983 177.210 176.300 -0.122 0.000 1.154 372 D CA -0.418 53.494 54.000 -0.147 0.000 0.859 372 D CB 1.104 41.830 40.800 -0.123 0.000 1.045 372 D HN 0.701 nan 8.370 nan 0.000 0.495 373 R N 3.853 124.318 120.500 -0.059 0.000 2.075 373 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 373 R C 1.740 178.016 176.300 -0.040 0.000 1.126 373 R CA 1.013 57.086 56.100 -0.045 0.000 0.963 373 R CB -0.469 29.817 30.300 -0.023 0.000 0.858 373 R HN 0.364 nan 8.270 nan 0.000 0.435 374 E N 2.129 122.308 120.200 -0.036 0.000 2.038 374 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 374 E C 2.200 178.782 176.600 -0.030 0.000 1.000 374 E CA 1.504 57.884 56.400 -0.035 0.000 0.803 374 E CB -0.646 29.035 29.700 -0.031 0.000 0.750 374 E HN 0.419 nan 8.360 nan 0.000 0.448 375 A N 2.231 125.041 122.820 -0.017 0.000 1.940 375 A HA -0.197 4.123 4.320 -0.000 0.000 0.221 375 A C 2.551 180.200 177.584 0.109 0.000 1.190 375 A CA 3.105 55.164 52.037 0.038 0.000 0.647 375 A CB -0.910 18.095 19.000 0.009 0.000 0.821 375 A HN 0.462 nan 8.150 nan 0.000 0.457 376 A N -0.829 122.007 122.820 0.026 0.000 2.014 376 A HA 0.325 4.645 4.320 -0.000 0.000 0.218 376 A C 2.421 180.062 177.584 0.094 0.000 1.163 376 A CA 1.593 53.675 52.037 0.075 0.000 0.652 376 A CB -0.822 18.150 19.000 -0.046 0.000 0.808 376 A HN 1.130 nan 8.150 nan 0.000 0.449 377 A N 0.518 123.344 122.820 0.009 0.000 1.972 377 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 377 A C 1.723 179.239 177.584 -0.113 0.000 1.169 377 A CA 1.513 53.531 52.037 -0.031 0.000 0.635 377 A CB -0.536 18.436 19.000 -0.046 0.000 0.810 377 A HN 0.657 nan 8.150 nan 0.000 0.446 378 E N -1.551 118.505 120.200 -0.239 0.000 2.401 378 E HA -0.110 4.240 4.350 -0.000 0.000 0.199 378 E C -0.449 175.681 176.600 -0.783 0.000 1.023 378 E CA 0.553 56.602 56.400 -0.585 0.000 0.859 378 E CB -0.158 29.000 29.700 -0.903 0.000 0.780 378 E HN 0.741 nan 8.360 nan 0.000 0.523 379 F N 0.263 120.210 119.950 -0.005 0.000 2.761 379 F HA 0.249 4.776 4.527 -0.000 0.000 0.367 379 F C -2.081 173.728 175.800 0.015 0.000 1.386 379 F CA -2.463 55.542 58.000 0.008 0.000 1.177 379 F CB 0.386 39.396 39.000 0.016 0.000 1.092 379 F HN -0.126 nan 8.300 nan 0.000 0.517 380 P HA 0.000 nan 4.420 nan 0.000 0.216 380 P CA 0.000 63.147 63.100 0.078 0.000 0.800 380 P CB 0.000 31.718 31.700 0.030 0.000 0.726