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 2bfu_1_L DATA FIRST_RESID 1 DATA SEQUENCE MEQNLFALSL DDTSSVRGSL LDTKFAQTRV LLSKAMAGGD VLLDEYLYDV DATA SEQUENCE VNGQDFRATV AFLRTHVITG KIKVTATTNI SDNSGCCLML AINSGVRGKY DATA SEQUENCE STDVYTICSQ DSMTWNPGCK KNFSFTFNPN PCGDSWSAEM ISRSRVRMTV DATA SEQUENCE ICVSGWTLSP TTDVIAKLDW SIVNEKCEPT IYHLADCQNW LPLNRWMGKL DATA SEQUENCE TFPQGVTSEV RRMPLSIGGG AGATQAFLAN MPNSWISMWR YFRGELHFEV DATA SEQUENCE TKMSSPYIKA TVTFLIAFGN LSDAFGFYES FPHRIVQFAE VEEKCTLVFS DATA SEQUENCE QQEFVTAWST QVNPRTTLEA DGCPYLYAII HDSTTGTISG DFNLGVKLVG DATA SEQUENCE IKDFCGIGSN PGIDGSRLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.009 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 E N 0.561 120.765 120.200 0.007 0.000 2.415 2 E HA -0.049 nan 4.350 nan 0.000 0.262 2 E C -0.968 175.638 176.600 0.011 0.000 1.038 2 E CA -0.007 56.397 56.400 0.006 0.000 0.921 2 E CB 0.367 30.067 29.700 0.000 0.000 0.950 2 E HN -0.133 8.230 8.360 0.005 0.000 0.438 3 Q N 0.333 120.141 119.800 0.014 0.000 2.927 3 Q HA -0.069 nan 4.340 nan 0.000 0.217 3 Q C -1.439 174.585 176.000 0.040 0.000 1.015 3 Q CA -0.242 55.577 55.803 0.026 0.000 1.037 3 Q CB 1.546 30.304 28.738 0.034 0.000 2.023 3 Q HN 0.084 8.361 8.270 0.011 0.000 0.513 4 N N 4.456 123.181 118.700 0.043 0.000 2.652 4 N HA 0.050 nan 4.740 nan 0.000 0.259 4 N C 0.007 175.671 175.510 0.256 0.000 1.240 4 N CA -1.373 51.714 53.050 0.062 0.000 0.951 4 N CB -1.404 37.060 38.487 -0.039 0.000 1.281 4 N HN 0.438 8.839 8.380 0.034 0.000 0.507 5 L N -3.792 117.535 121.223 0.172 0.000 2.642 5 L HA -0.130 nan 4.340 nan 0.000 0.236 5 L C 0.188 177.161 176.870 0.172 0.000 1.169 5 L CA 1.275 56.200 54.840 0.143 0.000 0.851 5 L CB -1.292 40.812 42.059 0.075 0.000 0.968 5 L HN -0.460 7.691 8.230 0.116 0.148 0.453 6 F N -2.756 117.192 119.950 -0.003 0.000 2.529 6 F HA -0.228 nan 4.527 nan 0.000 0.297 6 F C -0.745 175.052 175.800 -0.005 0.000 1.114 6 F CA 0.211 58.209 58.000 -0.003 0.000 1.467 6 F CB -0.747 38.252 39.000 -0.001 0.000 1.096 6 F HN -0.499 8.004 8.300 0.522 0.110 0.586 7 A N -2.344 120.294 122.820 -0.302 0.000 2.008 7 A HA 0.070 nan 4.320 nan 0.000 0.201 7 A C -0.124 177.384 177.584 -0.127 0.000 1.794 7 A CA 0.061 51.865 52.037 -0.388 0.000 0.952 7 A CB 1.228 20.064 19.000 -0.273 0.000 1.147 7 A HN -0.466 7.713 8.150 0.180 0.079 0.589 8 L N -0.882 120.333 121.223 -0.012 0.000 3.909 8 L HA -0.434 nan 4.340 nan 0.000 0.056 8 L C -1.027 175.829 176.870 -0.022 0.000 3.600 8 L CA 2.634 57.477 54.840 0.005 0.000 1.424 8 L CB -0.446 41.627 42.059 0.024 0.000 3.042 8 L HN 0.116 8.379 8.230 0.055 0.000 0.695 9 S N -2.127 113.559 115.700 -0.022 0.000 2.327 9 S HA 0.252 nan 4.470 nan 0.000 0.203 9 S C -0.471 174.108 174.600 -0.035 0.000 1.326 9 S CA -0.280 57.904 58.200 -0.027 0.000 1.248 9 S CB 0.478 63.670 63.200 -0.014 0.000 1.199 9 S HN -0.199 8.103 8.310 -0.013 0.000 0.422 10 L N 1.342 122.530 121.223 -0.057 0.000 2.966 10 L HA 0.344 nan 4.340 nan 0.000 0.262 10 L C -0.099 176.714 176.870 -0.094 0.000 1.068 10 L CA 1.383 56.185 54.840 -0.063 0.000 1.004 10 L CB 1.912 43.941 42.059 -0.050 0.000 1.629 10 L HN 0.137 8.323 8.230 -0.074 0.000 0.542 11 D N 2.362 122.684 120.400 -0.129 0.000 2.387 11 D HA -0.214 nan 4.640 nan 0.000 0.257 11 D C -0.590 175.618 176.300 -0.155 0.000 1.198 11 D CA 1.035 54.942 54.000 -0.154 0.000 0.945 11 D CB -1.051 39.636 40.800 -0.187 0.000 0.907 11 D HN -0.512 7.776 8.370 -0.137 0.000 0.518 12 D N -0.341 119.984 120.400 -0.125 0.000 8.267 12 D HA -0.235 nan 4.640 nan 0.000 0.138 12 D C 0.644 176.840 176.300 -0.173 0.000 1.262 12 D CA 0.938 54.866 54.000 -0.120 0.000 0.885 12 D CB -0.063 40.685 40.800 -0.086 0.000 1.723 12 D HN -0.130 8.063 8.370 -0.100 0.117 0.984 13 T N -1.826 112.661 114.554 -0.113 0.000 3.044 13 T HA -0.043 nan 4.350 nan 0.000 0.237 13 T C 0.423 175.118 174.700 -0.009 0.000 1.001 13 T CA -0.531 61.530 62.100 -0.065 0.000 1.160 13 T CB 0.771 69.621 68.868 -0.030 0.000 0.889 13 T HN -0.296 7.892 8.240 -0.086 0.000 0.442 14 S N 3.521 119.210 115.700 -0.018 0.000 4.625 14 S HA -0.389 nan 4.470 nan 0.000 0.424 14 S C -0.450 174.147 174.600 -0.005 0.000 0.628 14 S CA 0.854 59.048 58.200 -0.010 0.000 1.230 14 S CB -0.592 62.608 63.200 0.000 0.000 2.252 14 S HN -0.023 8.269 8.310 -0.031 0.000 0.323 15 S N 4.701 120.376 115.700 -0.041 0.000 2.422 15 S HA 0.092 nan 4.470 nan 0.000 0.283 15 S C -0.710 173.873 174.600 -0.029 0.000 1.163 15 S CA -0.080 58.071 58.200 -0.083 0.000 1.054 15 S CB 0.511 63.618 63.200 -0.156 0.000 0.967 15 S HN 0.049 8.330 8.310 -0.049 0.000 0.499 16 V N 1.874 121.802 119.914 0.024 0.000 2.427 16 V HA 0.176 nan 4.120 nan 0.000 0.268 16 V C 0.354 176.468 176.094 0.033 0.000 1.046 16 V CA -0.773 61.550 62.300 0.038 0.000 0.970 16 V CB 0.469 32.330 31.823 0.063 0.000 1.001 16 V HN -0.108 8.114 8.190 0.054 0.000 0.476 17 R N 9.991 130.499 120.500 0.013 0.000 4.263 17 R HA 0.140 nan 4.340 nan 0.000 0.248 17 R C -0.082 176.220 176.300 0.002 0.000 1.796 17 R CA -2.088 54.016 56.100 0.006 0.000 1.518 17 R CB -1.766 28.533 30.300 -0.001 0.000 1.342 17 R HN 0.606 8.880 8.270 0.007 0.000 0.706 18 G N 0.667 109.468 108.800 0.002 0.000 2.544 18 G HA2 -0.115 nan 3.960 nan 0.000 0.242 18 G HA3 -0.115 nan 3.960 nan 0.000 0.242 18 G C -1.433 173.456 174.900 -0.017 0.000 1.247 18 G CA -0.697 44.398 45.100 -0.008 0.000 0.840 18 G HN -0.637 7.560 8.290 0.009 0.098 0.578 19 S N 0.680 116.372 115.700 -0.015 0.000 2.568 19 S HA -0.193 nan 4.470 nan 0.000 0.282 19 S C 1.087 175.669 174.600 -0.030 0.000 1.338 19 S CA -0.341 57.849 58.200 -0.016 0.000 1.045 19 S CB 1.159 64.353 63.200 -0.009 0.000 0.873 19 S HN 0.003 8.308 8.310 -0.009 0.000 0.516 20 L N 0.372 121.576 121.223 -0.032 0.000 2.574 20 L HA -0.226 nan 4.340 nan 0.000 0.230 20 L C 0.739 177.576 176.870 -0.054 0.000 1.160 20 L CA 2.189 57.001 54.840 -0.047 0.000 0.807 20 L CB -2.009 40.026 42.059 -0.039 0.000 0.931 20 L HN 0.718 8.934 8.230 -0.025 0.000 0.450 21 L N -2.225 118.978 121.223 -0.034 0.000 2.577 21 L HA 0.003 nan 4.340 nan 0.000 0.225 21 L C 0.978 177.840 176.870 -0.014 0.000 1.053 21 L CA 1.723 56.553 54.840 -0.016 0.000 0.866 21 L CB 1.136 43.203 42.059 0.014 0.000 1.132 21 L HN -0.660 7.480 8.230 -0.023 0.076 0.486 22 D N -2.006 118.385 120.400 -0.015 0.000 2.378 22 D HA -0.145 nan 4.640 nan 0.000 0.227 22 D C 0.896 177.173 176.300 -0.040 0.000 1.012 22 D CA 2.090 56.088 54.000 -0.004 0.000 0.905 22 D CB 0.318 41.119 40.800 0.001 0.000 0.895 22 D HN 0.200 8.428 8.370 -0.019 0.131 0.532 23 T N -2.299 112.193 114.554 -0.104 0.000 2.999 23 T HA 0.091 nan 4.350 nan 0.000 0.247 23 T C -0.044 174.350 174.700 -0.510 0.000 1.012 23 T CA 0.442 62.393 62.100 -0.247 0.000 1.048 23 T CB 1.007 69.763 68.868 -0.187 0.000 1.020 23 T HN -0.333 7.766 8.240 -0.092 0.085 0.478 24 K N 3.220 123.460 120.400 -0.267 0.000 2.511 24 K HA -0.173 nan 4.320 nan 0.000 0.280 24 K C -0.464 176.135 176.600 -0.001 0.000 1.008 24 K CA 1.321 57.499 56.287 -0.182 0.000 1.050 24 K CB 0.153 32.646 32.500 -0.011 0.000 0.889 24 K HN -0.466 7.574 8.250 -0.143 0.124 0.484 25 F N -2.206 117.770 119.950 0.043 0.000 3.022 25 F HA 0.226 nan 4.527 nan 0.000 0.351 25 F C -1.589 173.981 175.800 -0.383 0.000 1.170 25 F CA -1.939 56.111 58.000 0.082 0.000 1.066 25 F CB 0.904 40.054 39.000 0.250 0.000 1.297 25 F HN -0.358 8.075 8.300 0.222 0.000 0.519 26 A N 0.504 123.201 122.820 -0.205 0.000 2.295 26 A HA 0.119 nan 4.320 nan 0.000 0.318 26 A C -2.099 175.155 177.584 -0.550 0.000 1.134 26 A CA -0.818 51.016 52.037 -0.338 0.000 0.827 26 A CB 2.059 20.970 19.000 -0.149 0.000 1.136 26 A HN -0.377 7.707 8.150 -0.109 0.000 0.493 27 Q N -0.635 118.967 119.800 -0.330 0.000 3.891 27 Q HA 0.059 nan 4.340 nan 0.000 0.190 27 Q C -1.793 174.171 176.000 -0.060 0.000 0.886 27 Q CA 0.031 55.720 55.803 -0.189 0.000 0.747 27 Q CB 1.658 30.316 28.738 -0.133 0.000 1.476 27 Q HN 0.044 8.111 8.270 -0.249 0.053 0.452 28 T N 2.276 116.809 114.554 -0.035 0.000 3.050 28 T HA 0.208 nan 4.350 nan 0.000 0.310 28 T C -0.636 174.085 174.700 0.036 0.000 0.978 28 T CA -0.293 61.808 62.100 0.002 0.000 1.013 28 T CB 1.061 69.921 68.868 -0.014 0.000 1.000 28 T HN -0.032 8.186 8.240 -0.037 0.000 0.447 29 R N 7.048 127.573 120.500 0.042 0.000 2.561 29 R HA -0.174 nan 4.340 nan 0.000 0.347 29 R C -0.072 176.271 176.300 0.071 0.000 0.916 29 R CA 0.751 56.885 56.100 0.056 0.000 1.063 29 R CB -0.176 30.155 30.300 0.052 0.000 0.916 29 R HN 0.335 8.626 8.270 0.035 0.000 0.410 30 V N 1.917 121.884 119.914 0.088 0.000 2.425 30 V HA -0.104 nan 4.120 nan 0.000 0.276 30 V C -0.365 175.799 176.094 0.117 0.000 1.017 30 V CA -0.698 61.669 62.300 0.112 0.000 1.062 30 V CB -0.263 31.637 31.823 0.129 0.000 0.997 30 V HN -0.257 7.863 8.190 0.084 0.121 0.476 31 L N 6.307 127.592 121.223 0.105 0.000 2.529 31 L HA -0.071 nan 4.340 nan 0.000 0.287 31 L C -0.033 176.909 176.870 0.119 0.000 1.241 31 L CA 0.932 55.829 54.840 0.095 0.000 0.857 31 L CB -0.345 41.758 42.059 0.074 0.000 1.113 31 L HN -0.226 8.065 8.230 0.101 0.000 0.504 32 L N 3.136 124.427 121.223 0.113 0.000 2.596 32 L HA 0.143 nan 4.340 nan 0.000 0.265 32 L C -1.880 175.056 176.870 0.109 0.000 0.962 32 L CA -0.381 54.546 54.840 0.145 0.000 0.891 32 L CB 2.942 45.123 42.059 0.204 0.000 1.248 32 L HN 0.048 8.332 8.230 0.091 0.000 0.410 33 S N 2.941 118.700 115.700 0.098 0.000 2.709 33 S HA 0.334 nan 4.470 nan 0.000 0.302 33 S C -1.028 173.586 174.600 0.023 0.000 1.127 33 S CA -2.023 56.204 58.200 0.045 0.000 0.905 33 S CB 1.807 65.023 63.200 0.027 0.000 1.151 33 S HN -0.113 8.268 8.310 0.118 0.000 0.510 34 K N 0.598 120.982 120.400 -0.027 0.000 2.218 34 K HA 0.124 nan 4.320 nan 0.000 0.214 34 K C 0.359 176.940 176.600 -0.032 0.000 1.033 34 K CA 0.810 57.061 56.287 -0.061 0.000 0.949 34 K CB 0.680 33.122 32.500 -0.097 0.000 0.993 34 K HN 0.245 8.482 8.250 -0.022 0.000 0.464 35 A N 2.029 124.833 122.820 -0.027 0.000 2.770 35 A HA -0.018 nan 4.320 nan 0.000 0.292 35 A C -1.120 176.458 177.584 -0.009 0.000 1.604 35 A CA 0.558 52.584 52.037 -0.018 0.000 1.271 35 A CB -1.166 17.823 19.000 -0.017 0.000 1.075 35 A HN 0.140 8.272 8.150 -0.029 0.000 0.573 36 M N 2.013 121.611 119.600 -0.005 0.000 2.386 36 M HA 0.124 nan 4.480 nan 0.000 0.293 36 M C -0.502 175.797 176.300 -0.002 0.000 1.120 36 M CA -0.101 55.199 55.300 0.001 0.000 0.909 36 M CB 4.194 36.802 32.600 0.014 0.000 1.661 36 M HN -0.255 8.035 8.290 -0.007 -0.004 0.452 37 A N 4.729 127.544 122.820 -0.008 0.000 3.051 37 A HA 0.102 nan 4.320 nan 0.000 0.257 37 A C 0.727 178.299 177.584 -0.019 0.000 1.785 37 A CA -0.412 51.616 52.037 -0.014 0.000 1.420 37 A CB -1.780 17.209 19.000 -0.018 0.000 1.063 37 A HN 1.068 9.307 8.150 -0.009 -0.094 0.630 38 G N 1.511 110.302 108.800 -0.014 0.000 5.218 38 G HA2 -0.485 nan 3.960 nan 0.000 0.342 38 G HA3 -0.485 nan 3.960 nan 0.000 0.342 38 G C 0.058 174.933 174.900 -0.042 0.000 1.391 38 G CA 1.003 46.090 45.100 -0.021 0.000 1.096 38 G HN -0.196 8.028 8.290 -0.006 0.063 0.831 39 G N 3.389 112.155 108.800 -0.057 0.000 2.350 39 G HA2 0.071 nan 3.960 nan 0.000 0.306 39 G HA3 0.071 nan 3.960 nan 0.000 0.306 39 G C -1.707 173.149 174.900 -0.073 0.000 1.094 39 G CA -0.678 44.368 45.100 -0.091 0.000 0.953 39 G HN -0.242 7.989 8.290 -0.049 0.030 0.420 40 D N 8.096 128.454 120.400 -0.070 0.000 2.462 40 D HA 0.128 nan 4.640 nan 0.000 0.249 40 D C -0.175 176.104 176.300 -0.034 0.000 1.117 40 D CA -0.850 53.125 54.000 -0.040 0.000 0.900 40 D CB 1.837 42.631 40.800 -0.010 0.000 1.039 40 D HN -0.094 8.222 8.370 -0.090 0.000 0.516 41 V N 1.467 121.359 119.914 -0.037 0.000 2.509 41 V HA -0.094 nan 4.120 nan 0.000 0.297 41 V C 0.374 176.476 176.094 0.013 0.000 1.014 41 V CA 0.665 62.954 62.300 -0.019 0.000 1.127 41 V CB -0.810 30.999 31.823 -0.024 0.000 0.925 41 V HN 0.452 8.614 8.190 -0.047 0.000 0.480 42 L N 7.867 129.114 121.223 0.040 0.000 3.048 42 L HA 0.395 nan 4.340 nan 0.000 0.234 42 L C -1.250 175.664 176.870 0.073 0.000 1.318 42 L CA -0.736 54.144 54.840 0.066 0.000 1.109 42 L CB -0.783 41.336 42.059 0.101 0.000 1.480 42 L HN 0.688 8.844 8.230 0.038 0.098 0.495 43 L N -2.707 118.547 121.223 0.051 0.000 0.585 43 L HA -0.313 nan 4.340 nan 0.000 0.356 43 L C -2.164 174.737 176.870 0.052 0.000 0.994 43 L CA 0.305 55.176 54.840 0.051 0.000 1.223 43 L CB 0.662 42.756 42.059 0.058 0.000 0.012 43 L HN -0.945 7.190 8.230 0.035 0.116 0.091 44 D N -0.190 120.240 120.400 0.050 0.000 2.584 44 D HA 0.275 nan 4.640 nan 0.000 0.238 44 D C -0.825 175.515 176.300 0.067 0.000 1.302 44 D CA -0.235 53.796 54.000 0.052 0.000 0.884 44 D CB 0.667 41.499 40.800 0.054 0.000 1.456 44 D HN -0.030 8.370 8.370 0.050 0.000 0.528 45 E N 2.867 123.102 120.200 0.059 0.000 3.069 45 E HA 0.078 nan 4.350 nan 0.000 0.418 45 E C -0.642 176.064 176.600 0.177 0.000 0.402 45 E CA 1.249 57.711 56.400 0.103 0.000 2.494 45 E CB 1.776 31.509 29.700 0.055 0.000 2.058 45 E HN -0.336 8.049 8.360 0.042 0.000 0.487 46 Y N -5.322 114.947 120.300 -0.051 0.000 2.914 46 Y HA 0.014 nan 4.550 nan 0.000 0.327 46 Y C -1.121 174.724 175.900 -0.093 0.000 1.440 46 Y CA -0.374 57.700 58.100 -0.042 0.000 1.086 46 Y CB 2.995 41.452 38.460 -0.005 0.000 1.544 46 Y HN -0.575 7.753 8.280 0.081 0.000 0.442 47 L N -1.093 120.252 121.223 0.205 0.000 2.276 47 L HA -0.097 nan 4.340 nan 0.000 0.194 47 L C -0.026 176.845 176.870 0.002 0.000 1.099 47 L CA 1.544 56.419 54.840 0.057 0.000 0.800 47 L CB -0.027 42.109 42.059 0.129 0.000 0.994 47 L HN 0.684 9.159 8.230 0.408 0.000 0.475 48 Y N -1.891 118.452 120.300 0.072 0.000 2.396 48 Y HA -0.143 nan 4.550 nan 0.000 0.292 48 Y C 1.538 177.505 175.900 0.111 0.000 1.128 48 Y CA 2.431 60.592 58.100 0.102 0.000 1.194 48 Y CB 1.154 39.678 38.460 0.108 0.000 1.124 48 Y HN -0.135 8.361 8.280 0.360 0.000 0.543 49 D N -0.853 119.624 120.400 0.128 0.000 2.104 49 D HA -0.320 nan 4.640 nan 0.000 0.194 49 D C 1.268 177.546 176.300 -0.037 0.000 0.994 49 D CA 2.781 56.731 54.000 -0.082 0.000 0.830 49 D CB -0.314 40.149 40.800 -0.562 0.000 0.959 49 D HN -0.215 8.283 8.370 0.213 0.000 0.452 50 V N -2.523 117.410 119.914 0.031 0.000 2.352 50 V HA -0.382 nan 4.120 nan 0.000 0.247 50 V C -0.133 175.931 176.094 -0.051 0.000 1.073 50 V CA 2.640 64.928 62.300 -0.019 0.000 1.104 50 V CB 0.562 32.317 31.823 -0.112 0.000 0.847 50 V HN 0.101 8.361 8.190 0.124 0.005 0.472 51 V N -4.490 115.380 119.914 -0.073 0.000 3.279 51 V HA 0.207 nan 4.120 nan 0.000 0.296 51 V C -2.344 173.653 176.094 -0.162 0.000 1.470 51 V CA -1.011 61.236 62.300 -0.089 0.000 1.065 51 V CB 4.436 36.214 31.823 -0.075 0.000 1.124 51 V HN -0.514 7.628 8.190 -0.075 0.003 0.461 52 N N -0.524 118.069 118.700 -0.180 0.000 2.533 52 N HA 0.551 nan 4.740 nan 0.000 0.289 52 N C -1.031 174.353 175.510 -0.210 0.000 1.103 52 N CA 0.178 53.066 53.050 -0.270 0.000 0.877 52 N CB 2.369 40.755 38.487 -0.167 0.000 1.419 52 N HN 1.068 9.373 8.380 -0.125 0.000 0.517 53 G N 3.780 112.414 108.800 -0.276 0.000 2.788 53 G HA2 -0.228 nan 3.960 nan 0.000 0.301 53 G HA3 -0.228 nan 3.960 nan 0.000 0.301 53 G C -1.217 173.635 174.900 -0.080 0.000 1.000 53 G CA -0.213 44.786 45.100 -0.168 0.000 1.267 53 G HN 0.248 8.271 8.290 -0.445 0.000 0.578 54 Q N 2.140 121.918 119.800 -0.036 0.000 2.891 54 Q HA 0.157 nan 4.340 nan 0.000 0.242 54 Q C -1.387 174.792 176.000 0.298 0.000 0.959 54 Q CA -0.772 55.173 55.803 0.237 0.000 0.707 54 Q CB 1.862 30.790 28.738 0.316 0.000 1.283 54 Q HN -0.136 8.058 8.270 -0.126 0.000 0.480 55 D N 4.562 124.861 120.400 -0.168 0.000 2.512 55 D HA -0.229 nan 4.640 nan 0.000 0.283 55 D C -0.628 174.932 176.300 -1.233 0.000 1.456 55 D CA 1.321 55.003 54.000 -0.531 0.000 1.224 55 D CB -0.473 40.047 40.800 -0.468 0.000 1.140 55 D HN 0.145 8.443 8.370 -0.121 0.000 0.553 56 F N 1.935 121.949 119.950 0.107 0.000 2.980 56 F HA 0.485 nan 4.527 nan 0.000 0.335 56 F C 0.745 176.618 175.800 0.121 0.000 1.210 56 F CA -1.325 56.754 58.000 0.131 0.000 0.986 56 F CB 2.270 41.383 39.000 0.189 0.000 1.469 56 F HN -0.310 8.062 8.300 0.120 0.000 0.519 57 R N 0.786 121.446 120.500 0.268 0.000 2.070 57 R HA -0.233 nan 4.340 nan 0.000 0.232 57 R C 0.163 176.542 176.300 0.132 0.000 1.138 57 R CA 2.620 58.802 56.100 0.137 0.000 0.936 57 R CB 0.500 30.852 30.300 0.086 0.000 0.839 57 R HN 0.007 8.490 8.270 0.355 0.000 0.429 58 A N -2.892 120.007 122.820 0.131 0.000 2.354 58 A HA 0.092 nan 4.320 nan 0.000 0.281 58 A C -1.185 176.641 177.584 0.403 0.000 1.174 58 A CA 0.541 52.680 52.037 0.171 0.000 0.828 58 A CB 0.466 19.463 19.000 -0.004 0.000 1.099 58 A HN -0.606 7.585 8.150 0.068 0.000 0.516 59 T N 3.210 117.943 114.554 0.298 0.000 3.330 59 T HA 0.111 nan 4.350 nan 0.000 0.240 59 T C 1.552 176.382 174.700 0.217 0.000 0.988 59 T CA 1.766 64.030 62.100 0.273 0.000 1.253 59 T CB 0.610 69.566 68.868 0.147 0.000 1.163 59 T HN 0.477 8.849 8.240 0.219 0.000 0.382 60 V N 1.583 121.587 119.914 0.149 0.000 2.594 60 V HA -0.062 nan 4.120 nan 0.000 0.253 60 V C 1.409 177.611 176.094 0.179 0.000 1.069 60 V CA 2.401 64.773 62.300 0.120 0.000 1.082 60 V CB -0.959 30.909 31.823 0.075 0.000 0.680 60 V HN 0.035 8.299 8.190 0.123 0.000 0.469 61 A N -0.080 122.880 122.820 0.232 0.000 2.019 61 A HA -0.179 nan 4.320 nan 0.000 0.219 61 A C 2.029 179.831 177.584 0.363 0.000 1.164 61 A CA 2.421 54.620 52.037 0.271 0.000 0.644 61 A CB -1.154 17.999 19.000 0.255 0.000 0.805 61 A HN 0.016 8.259 8.150 0.229 0.045 0.449 62 F N -0.679 119.384 119.950 0.188 0.000 2.176 62 F HA -0.319 nan 4.527 nan 0.000 0.301 62 F C -0.803 175.107 175.800 0.182 0.000 1.071 62 F CA 2.352 60.399 58.000 0.080 0.000 1.289 62 F CB 0.694 39.598 39.000 -0.160 0.000 1.028 62 F HN -0.720 7.826 8.300 0.465 0.033 0.494 63 L N -5.826 115.709 121.223 0.520 0.000 2.367 63 L HA 0.420 nan 4.340 nan 0.000 0.263 63 L C -1.482 175.538 176.870 0.251 0.000 1.473 63 L CA -0.288 54.798 54.840 0.410 0.000 0.807 63 L CB -0.499 41.840 42.059 0.466 0.000 0.968 63 L HN -0.643 7.778 8.230 0.405 0.051 0.520 64 R N 1.007 121.649 120.500 0.236 0.000 5.666 64 R HA 0.008 nan 4.340 nan 0.000 0.063 64 R C 0.400 176.780 176.300 0.133 0.000 0.750 64 R CA 1.035 57.229 56.100 0.157 0.000 1.178 64 R CB 0.852 31.224 30.300 0.119 0.000 1.190 64 R HN -0.552 7.881 8.270 0.271 0.000 0.397 65 T N 0.108 114.733 114.554 0.117 0.000 2.814 65 T HA -0.277 nan 4.350 nan 0.000 0.264 65 T C 0.890 175.660 174.700 0.116 0.000 1.050 65 T CA 3.347 65.489 62.100 0.070 0.000 1.147 65 T CB -0.341 68.588 68.868 0.102 0.000 0.833 65 T HN 0.160 8.484 8.240 0.139 0.000 0.498 66 H N -2.728 116.386 119.070 0.074 0.000 4.654 66 H HA -0.286 nan 4.556 nan 0.000 0.065 66 H C -1.345 174.016 175.328 0.056 0.000 0.630 66 H CA 1.209 57.287 56.048 0.051 0.000 0.888 66 H CB -0.591 29.178 29.762 0.013 0.000 0.406 66 H HN -0.100 8.302 8.280 0.281 0.047 0.817 67 V N -1.622 118.367 119.914 0.125 0.000 3.001 67 V HA 0.429 nan 4.120 nan 0.000 0.314 67 V C -1.006 174.974 176.094 -0.190 0.000 1.099 67 V CA -1.223 61.057 62.300 -0.035 0.000 0.989 67 V CB 3.156 34.913 31.823 -0.108 0.000 1.040 67 V HN -0.377 7.898 8.190 0.140 0.000 0.434 68 I N 2.718 122.941 120.570 -0.579 0.000 3.850 68 I HA 0.265 nan 4.170 nan 0.000 0.272 68 I C -1.108 174.108 176.117 -1.501 0.000 1.109 68 I CA -1.127 59.708 61.300 -0.776 0.000 1.282 68 I CB 3.043 40.794 38.000 -0.414 0.000 1.337 68 I HN -0.013 7.754 8.210 -0.738 0.000 0.438 69 T N -1.053 112.665 114.554 -1.394 0.000 4.864 69 T HA 0.101 nan 4.350 nan 0.000 0.325 69 T C -0.908 173.813 174.700 0.036 0.000 0.880 69 T CA 0.398 61.971 62.100 -0.880 0.000 0.689 69 T CB 0.122 68.692 68.868 -0.497 0.000 0.862 69 T HN 0.258 7.977 8.240 -0.869 0.000 0.460 70 G N -0.354 108.740 108.800 0.489 0.000 2.671 70 G HA2 0.447 nan 3.960 nan 0.000 0.275 70 G HA3 0.447 nan 3.960 nan 0.000 0.275 70 G C -2.009 173.122 174.900 0.385 0.000 1.368 70 G CA -1.695 43.626 45.100 0.368 0.000 1.044 70 G HN -0.491 8.159 8.290 0.600 0.000 0.543 71 K N -0.686 119.782 120.400 0.114 0.000 2.234 71 K HA 0.201 nan 4.320 nan 0.000 0.277 71 K C 0.214 176.743 176.600 -0.119 0.000 1.038 71 K CA -1.408 54.844 56.287 -0.059 0.000 0.888 71 K CB 0.979 33.434 32.500 -0.076 0.000 1.091 71 K HN -0.366 7.935 8.250 0.085 0.000 0.467 72 I N 6.345 126.776 120.570 -0.233 0.000 3.058 72 I HA -0.390 nan 4.170 nan 0.000 0.316 72 I C -0.852 175.290 176.117 0.041 0.000 1.173 72 I CA 0.588 61.868 61.300 -0.033 0.000 2.135 72 I CB -2.168 35.881 38.000 0.082 0.000 1.632 72 I HN 0.588 8.500 8.210 -0.428 0.041 1.019 73 K N 6.521 126.890 120.400 -0.052 0.000 2.295 73 K HA -0.015 nan 4.320 nan 0.000 0.270 73 K C -1.821 174.650 176.600 -0.215 0.000 1.011 73 K CA 0.570 56.751 56.287 -0.177 0.000 0.953 73 K CB 1.471 33.898 32.500 -0.121 0.000 0.956 73 K HN -0.104 8.112 8.250 -0.030 0.016 0.477 74 V N 0.916 120.572 119.914 -0.431 0.000 3.007 74 V HA 0.546 nan 4.120 nan 0.000 0.311 74 V C -1.579 174.346 176.094 -0.283 0.000 1.120 74 V CA -1.717 60.282 62.300 -0.502 0.000 0.980 74 V CB 3.438 34.610 31.823 -1.085 0.000 1.033 74 V HN -0.121 7.801 8.190 -0.447 0.000 0.429 75 T N 4.192 118.633 114.554 -0.189 0.000 3.548 75 T HA 0.396 nan 4.350 nan 0.000 0.329 75 T C -2.002 172.640 174.700 -0.096 0.000 0.960 75 T CA 0.722 62.742 62.100 -0.134 0.000 1.041 75 T CB 2.329 71.140 68.868 -0.095 0.000 1.065 75 T HN 0.077 8.231 8.240 -0.144 0.000 0.459 76 A N 7.407 130.151 122.820 -0.126 0.000 2.322 76 A HA 0.540 nan 4.320 nan 0.000 0.327 76 A C -0.679 176.879 177.584 -0.043 0.000 1.394 76 A CA -1.434 50.557 52.037 -0.077 0.000 0.921 76 A CB 1.192 20.120 19.000 -0.121 0.000 1.153 76 A HN 0.225 8.447 8.150 -0.178 -0.179 0.523 77 T N 7.308 121.857 114.554 -0.007 0.000 2.758 77 T HA -0.081 nan 4.350 nan 0.000 0.281 77 T C -0.408 174.317 174.700 0.041 0.000 0.963 77 T CA 1.514 63.623 62.100 0.015 0.000 1.201 77 T CB -0.487 68.395 68.868 0.024 0.000 0.906 77 T HN 0.424 8.664 8.240 -0.001 0.000 0.528 78 T N 8.178 122.765 114.554 0.054 0.000 2.405 78 T HA 0.385 nan 4.350 nan 0.000 0.197 78 T C -0.784 173.979 174.700 0.105 0.000 0.784 78 T CA -1.437 60.718 62.100 0.093 0.000 1.262 78 T CB 1.658 70.594 68.868 0.112 0.000 2.105 78 T HN -0.207 8.060 8.240 0.045 0.000 0.474 79 N N -0.736 118.044 118.700 0.133 0.000 1.565 79 N HA -0.081 nan 4.740 nan 0.000 0.240 79 N C -1.670 173.996 175.510 0.260 0.000 0.905 79 N CA 0.480 53.619 53.050 0.148 0.000 1.340 79 N CB -0.590 37.965 38.487 0.114 0.000 1.867 79 N HN 0.190 8.657 8.380 0.146 0.000 0.349 80 I N -2.317 118.394 120.570 0.236 0.000 2.813 80 I HA -0.118 nan 4.170 nan 0.000 0.236 80 I C -0.983 175.232 176.117 0.164 0.000 0.999 80 I CA 0.917 62.367 61.300 0.251 0.000 1.681 80 I CB -0.377 37.889 38.000 0.444 0.000 2.284 80 I HN 0.445 8.758 8.210 0.171 0.000 0.335 81 S N -1.723 114.086 115.700 0.182 0.000 6.462 81 S HA 0.008 nan 4.470 nan 0.000 0.096 81 S C -1.131 173.556 174.600 0.146 0.000 1.299 81 S CA 0.168 58.449 58.200 0.134 0.000 1.233 81 S CB 0.940 64.200 63.200 0.101 0.000 1.853 81 S HN -0.199 8.259 8.310 0.247 0.000 0.591 82 D N -0.751 119.752 120.400 0.173 0.000 1.921 82 D HA 0.043 nan 4.640 nan 0.000 0.470 82 D C 0.629 177.088 176.300 0.266 0.000 0.957 82 D CA 0.200 54.313 54.000 0.188 0.000 0.974 82 D CB 0.416 41.315 40.800 0.164 0.000 1.682 82 D HN -0.054 8.422 8.370 0.177 0.000 0.528 83 N N 1.161 120.029 118.700 0.280 0.000 2.007 83 N HA -0.202 nan 4.740 nan 0.000 0.197 83 N C -0.610 175.082 175.510 0.303 0.000 1.050 83 N CA 2.065 55.297 53.050 0.304 0.000 0.856 83 N CB 0.620 39.139 38.487 0.053 0.000 1.050 83 N HN -0.262 8.247 8.380 0.215 0.000 0.423 84 S N -1.615 114.254 115.700 0.281 0.000 2.564 84 S HA 0.144 nan 4.470 nan 0.000 0.274 84 S C -1.025 173.754 174.600 0.298 0.000 1.124 84 S CA -0.862 57.506 58.200 0.279 0.000 0.869 84 S CB 2.775 66.114 63.200 0.231 0.000 1.105 84 S HN -0.643 7.855 8.310 0.314 0.000 0.472 85 G N 0.489 109.355 108.800 0.111 0.000 2.531 85 G HA2 0.377 nan 3.960 nan 0.000 0.313 85 G HA3 0.377 nan 3.960 nan 0.000 0.313 85 G C -2.553 172.232 174.900 -0.192 0.000 1.238 85 G CA -1.220 43.828 45.100 -0.087 0.000 0.994 85 G HN 0.312 8.657 8.290 0.092 0.000 0.493 86 C N -4.879 114.191 119.300 -0.383 0.000 3.306 86 C HA 0.453 nan 4.460 nan 0.000 0.335 86 C C -1.572 173.168 174.990 -0.417 0.000 1.382 86 C CA -2.816 55.943 59.018 -0.432 0.000 1.254 86 C CB 2.275 29.515 27.740 -0.833 0.000 1.555 86 C HN -0.072 8.222 8.230 -0.375 -0.289 0.463 87 C N 1.391 120.465 119.300 -0.376 0.000 2.397 87 C HA 0.630 nan 4.460 nan 0.000 0.343 87 C C -1.861 172.755 174.990 -0.623 0.000 1.188 87 C CA -1.174 57.591 59.018 -0.421 0.000 1.992 87 C CB 1.421 29.005 27.740 -0.260 0.000 2.358 87 C HN 0.326 8.477 8.230 -0.312 -0.107 0.518 88 L N 4.580 125.209 121.223 -0.989 0.000 2.622 88 L HA 0.483 nan 4.340 nan 0.000 0.258 88 L C -2.675 173.122 176.870 -1.789 0.000 0.996 88 L CA 0.161 54.092 54.840 -1.514 0.000 0.858 88 L CB 5.330 46.132 42.059 -2.095 0.000 1.449 88 L HN 0.253 7.907 8.230 -0.960 0.000 0.411 89 M N 1.137 119.954 119.600 -1.304 0.000 2.413 89 M HA 0.318 nan 4.480 nan 0.000 0.287 89 M C -2.722 173.649 176.300 0.117 0.000 1.186 89 M CA -0.074 54.980 55.300 -0.410 0.000 0.927 89 M CB 4.162 36.561 32.600 -0.336 0.000 1.715 89 M HN 0.326 8.019 8.290 -0.979 0.009 0.478 90 L N 3.970 125.392 121.223 0.331 0.000 2.295 90 L HA 0.497 nan 4.340 nan 0.000 0.285 90 L C -2.020 174.832 176.870 -0.030 0.000 1.035 90 L CA -2.760 52.174 54.840 0.156 0.000 0.806 90 L CB 2.373 44.466 42.059 0.056 0.000 1.214 90 L HN 0.264 8.705 8.230 0.351 0.000 0.426 91 A N 7.143 129.961 122.820 -0.003 0.000 2.362 91 A HA 0.257 nan 4.320 nan 0.000 0.276 91 A C -1.583 175.974 177.584 -0.046 0.000 1.153 91 A CA -0.524 51.489 52.037 -0.040 0.000 0.813 91 A CB 0.779 19.764 19.000 -0.026 0.000 1.081 91 A HN 0.263 8.340 8.150 0.042 0.098 0.507 92 I N 2.132 122.670 120.570 -0.053 0.000 2.651 92 I HA -0.001 nan 4.170 nan 0.000 0.287 92 I C -2.131 174.007 176.117 0.035 0.000 1.244 92 I CA -0.018 61.253 61.300 -0.048 0.000 1.061 92 I CB 2.054 39.998 38.000 -0.092 0.000 1.286 92 I HN 0.207 8.464 8.210 -0.051 -0.078 0.434 93 N N 7.332 126.048 118.700 0.026 0.000 2.829 93 N HA 0.222 nan 4.740 nan 0.000 0.198 93 N C -1.650 173.890 175.510 0.049 0.000 1.697 93 N CA -0.315 52.765 53.050 0.049 0.000 1.137 93 N CB 2.443 40.937 38.487 0.010 0.000 2.368 93 N HN 0.107 8.476 8.380 -0.017 0.000 0.325 94 S N -0.360 115.338 115.700 -0.004 0.000 2.614 94 S HA 0.153 nan 4.470 nan 0.000 0.288 94 S C -0.284 174.268 174.600 -0.081 0.000 1.137 94 S CA -1.056 57.138 58.200 -0.011 0.000 0.992 94 S CB 1.928 65.144 63.200 0.025 0.000 1.026 94 S HN -0.059 8.231 8.310 -0.033 0.000 0.486 95 G N 6.055 114.804 108.800 -0.086 0.000 2.699 95 G HA2 -0.451 nan 3.960 nan 0.000 0.347 95 G HA3 -0.451 nan 3.960 nan 0.000 0.347 95 G C -2.424 172.329 174.900 -0.245 0.000 1.225 95 G CA 0.923 45.947 45.100 -0.127 0.000 0.973 95 G HN 0.243 8.506 8.290 -0.045 0.000 0.551 96 V N -7.171 112.605 119.914 -0.230 0.000 3.143 96 V HA 0.181 nan 4.120 nan 0.000 0.264 96 V C -1.329 174.656 176.094 -0.182 0.000 1.874 96 V CA -0.742 61.341 62.300 -0.362 0.000 0.968 96 V CB 2.209 33.703 31.823 -0.548 0.000 1.351 96 V HN -0.510 7.590 8.190 -0.149 0.000 0.459 97 R N 1.336 121.758 120.500 -0.131 0.000 2.207 97 R HA 0.749 nan 4.340 nan 0.000 0.180 97 R C 0.282 176.603 176.300 0.033 0.000 1.445 97 R CA 1.765 57.851 56.100 -0.023 0.000 1.217 97 R CB 1.312 31.614 30.300 0.004 0.000 1.135 97 R HN 1.018 9.180 8.270 -0.180 0.000 0.481 98 G N -0.959 107.912 108.800 0.118 0.000 2.871 98 G HA2 0.061 nan 3.960 nan 0.000 0.282 98 G HA3 0.061 nan 3.960 nan 0.000 0.282 98 G C -2.197 172.864 174.900 0.268 0.000 1.212 98 G CA -0.503 44.680 45.100 0.138 0.000 0.812 98 G HN -0.420 7.972 8.290 0.171 0.000 0.547 99 K N 2.573 123.051 120.400 0.130 0.000 1.948 99 K HA -0.117 nan 4.320 nan 0.000 0.231 99 K C -0.168 176.405 176.600 -0.045 0.000 1.136 99 K CA 0.588 56.881 56.287 0.010 0.000 1.185 99 K CB -0.747 31.732 32.500 -0.035 0.000 1.090 99 K HN 0.083 8.383 8.250 0.083 0.000 0.302 100 Y N 2.714 122.993 120.300 -0.035 0.000 2.387 100 Y HA -0.221 nan 4.550 nan 0.000 0.234 100 Y C 0.062 175.926 175.900 -0.060 0.000 1.007 100 Y CA 0.343 58.414 58.100 -0.048 0.000 1.012 100 Y CB -0.432 37.999 38.460 -0.049 0.000 1.017 100 Y HN 0.301 8.618 8.280 0.101 0.023 0.486 101 S N -1.813 113.780 115.700 -0.179 0.000 2.611 101 S HA 0.050 nan 4.470 nan 0.000 0.270 101 S C -1.702 172.828 174.600 -0.117 0.000 1.131 101 S CA -0.015 58.108 58.200 -0.128 0.000 0.826 101 S CB 0.829 63.998 63.200 -0.052 0.000 1.095 101 S HN -0.444 7.725 8.310 -0.234 0.000 0.461 102 T N -1.429 113.055 114.554 -0.117 0.000 3.631 102 T HA 0.344 nan 4.350 nan 0.000 0.256 102 T C -1.916 172.714 174.700 -0.116 0.000 1.187 102 T CA -0.760 61.280 62.100 -0.100 0.000 1.667 102 T CB -0.693 68.105 68.868 -0.117 0.000 0.804 102 T HN 0.210 8.378 8.240 -0.119 0.000 0.639 103 D N 0.550 120.872 120.400 -0.131 0.000 2.744 103 D HA 0.260 nan 4.640 nan 0.000 0.304 103 D C -0.369 175.759 176.300 -0.286 0.000 1.179 103 D CA -1.511 52.369 54.000 -0.201 0.000 1.024 103 D CB 1.844 42.532 40.800 -0.187 0.000 1.453 103 D HN -0.298 8.009 8.370 -0.106 0.000 0.529 104 V N -9.126 110.480 119.914 -0.514 0.000 3.306 104 V HA 0.011 nan 4.120 nan 0.000 0.264 104 V C -0.698 174.924 176.094 -0.788 0.000 1.149 104 V CA 1.102 62.910 62.300 -0.820 0.000 1.143 104 V CB -0.707 30.248 31.823 -1.447 0.000 0.767 104 V HN -0.024 7.831 8.190 -0.558 0.000 0.476 105 Y N -1.389 118.492 120.300 -0.699 0.000 2.458 105 Y HA 0.088 nan 4.550 nan 0.000 0.256 105 Y C -0.623 175.227 175.900 -0.084 0.000 1.159 105 Y CA 0.274 58.255 58.100 -0.199 0.000 1.261 105 Y CB 1.130 39.635 38.460 0.076 0.000 1.119 105 Y HN -0.638 7.462 8.280 -0.401 -0.060 0.524 106 T N -4.491 110.017 114.554 -0.077 0.000 2.435 106 T HA 0.001 nan 4.350 nan 0.000 0.177 106 T C -0.703 173.967 174.700 -0.050 0.000 0.716 106 T CA -1.084 60.962 62.100 -0.090 0.000 1.523 106 T CB 0.952 69.760 68.868 -0.100 0.000 2.878 106 T HN -0.714 7.298 8.240 -0.155 0.136 0.405 107 I N -0.600 119.936 120.570 -0.057 0.000 3.138 107 I HA -0.398 nan 4.170 nan 0.000 0.286 107 I C -0.351 175.724 176.117 -0.071 0.000 1.194 107 I CA 1.275 62.549 61.300 -0.044 0.000 1.392 107 I CB -2.135 35.847 38.000 -0.029 0.000 1.476 107 I HN -0.017 8.158 8.210 -0.059 0.000 0.579 108 C N 4.812 124.084 119.300 -0.046 0.000 4.349 108 C HA -0.074 nan 4.460 nan 0.000 0.225 108 C C 0.373 175.360 174.990 -0.005 0.000 1.855 108 C CA 0.769 59.749 59.018 -0.064 0.000 1.701 108 C CB -0.521 27.162 27.740 -0.096 0.000 1.402 108 C HN 0.628 9.141 8.230 -0.022 -0.297 0.513 109 S N 3.971 119.700 115.700 0.049 0.000 2.483 109 S HA -0.619 nan 4.470 nan 0.000 0.279 109 S C 0.940 175.606 174.600 0.112 0.000 1.047 109 S CA 2.978 61.240 58.200 0.105 0.000 1.008 109 S CB -0.828 62.468 63.200 0.159 0.000 0.746 109 S HN 0.056 8.401 8.310 0.057 0.000 0.501 110 Q N 1.466 121.329 119.800 0.105 0.000 2.049 110 Q HA -0.055 nan 4.340 nan 0.000 0.198 110 Q C -0.357 175.762 176.000 0.199 0.000 0.971 110 Q CA 1.985 57.877 55.803 0.147 0.000 0.833 110 Q CB 1.129 29.953 28.738 0.144 0.000 0.896 110 Q HN -0.055 8.186 8.270 0.078 0.076 0.434 111 D N -3.204 117.316 120.400 0.201 0.000 2.861 111 D HA 0.220 nan 4.640 nan 0.000 0.216 111 D C -1.974 174.379 176.300 0.089 0.000 1.323 111 D CA -0.129 54.037 54.000 0.276 0.000 0.917 111 D CB 2.453 43.533 40.800 0.468 0.000 1.582 111 D HN -0.515 7.947 8.370 0.153 0.000 0.576 112 S N 1.778 117.449 115.700 -0.048 0.000 2.656 112 S HA 0.371 nan 4.470 nan 0.000 0.273 112 S C -2.193 172.184 174.600 -0.372 0.000 1.168 112 S CA -1.060 56.864 58.200 -0.460 0.000 0.817 112 S CB 1.834 64.888 63.200 -0.244 0.000 1.146 112 S HN -0.098 8.276 8.310 0.107 0.000 0.475 113 M N 0.376 119.693 119.600 -0.471 0.000 2.704 113 M HA 0.330 nan 4.480 nan 0.000 0.284 113 M C -2.442 173.723 176.300 -0.226 0.000 1.275 113 M CA -1.334 53.823 55.300 -0.239 0.000 0.811 113 M CB 3.269 35.740 32.600 -0.215 0.000 1.741 113 M HN 0.318 8.298 8.290 -0.516 0.000 0.458 114 T N -1.991 112.317 114.554 -0.409 0.000 3.031 114 T HA 0.462 nan 4.350 nan 0.000 0.305 114 T C -1.714 172.664 174.700 -0.538 0.000 0.985 114 T CA -0.748 61.157 62.100 -0.325 0.000 1.008 114 T CB 0.819 69.613 68.868 -0.124 0.000 1.005 114 T HN 0.109 7.964 8.240 -0.642 0.000 0.444 115 W N 4.484 125.426 121.300 -0.595 0.000 2.975 115 W HA 0.431 nan 4.660 nan 0.000 0.342 115 W C -3.104 173.303 176.519 -0.187 0.000 1.168 115 W CA -1.707 55.416 57.345 -0.369 0.000 1.141 115 W CB 2.496 31.786 29.460 -0.282 0.000 1.445 115 W HN 0.361 8.304 8.180 -0.395 0.000 0.560 116 N N -0.016 118.714 118.700 0.050 0.000 2.446 116 N HA 0.230 nan 4.740 nan 0.000 0.265 116 N C -1.155 174.281 175.510 -0.123 0.000 0.975 116 N CA -3.132 49.823 53.050 -0.158 0.000 0.928 116 N CB 2.302 40.724 38.487 -0.109 0.000 1.160 116 N HN 0.156 8.722 8.380 0.309 0.000 0.495 117 P HA -0.170 nan 4.420 nan 0.000 0.235 117 P C -1.232 175.774 177.300 -0.489 0.000 1.166 117 P CA 0.822 63.613 63.100 -0.515 0.000 0.760 117 P CB -0.160 30.888 31.700 -1.086 0.000 0.815 118 G N -4.792 103.840 108.800 -0.280 0.000 5.528 118 G HA2 0.069 nan 3.960 nan 0.000 0.194 118 G HA3 0.069 nan 3.960 nan 0.000 0.194 118 G C -1.291 173.609 174.900 0.001 0.000 0.679 118 G CA 0.422 45.483 45.100 -0.065 0.000 0.640 118 G HN -0.724 7.478 8.290 -0.273 -0.076 0.397 119 C N 2.881 122.193 119.300 0.021 0.000 2.225 119 C HA 0.403 nan 4.460 nan 0.000 0.323 119 C C 0.340 175.360 174.990 0.050 0.000 1.164 119 C CA -1.564 57.479 59.018 0.042 0.000 1.565 119 C CB -1.663 26.109 27.740 0.054 0.000 2.124 119 C HN -0.211 8.038 8.230 0.031 0.000 0.461 120 K N 7.731 128.158 120.400 0.044 0.000 10.859 120 K HA -0.500 nan 4.320 nan 0.000 0.526 120 K C -0.756 175.865 176.600 0.035 0.000 0.383 120 K CA 3.001 59.309 56.287 0.036 0.000 1.942 120 K CB -1.211 31.302 32.500 0.023 0.000 0.770 120 K HN 0.723 9.001 8.250 0.047 0.000 1.211 121 K N -3.531 116.886 120.400 0.028 0.000 3.019 121 K HA 0.170 nan 4.320 nan 0.000 0.192 121 K C -1.727 174.885 176.600 0.020 0.000 1.680 121 K CA 0.178 56.479 56.287 0.024 0.000 1.375 121 K CB 2.674 35.180 32.500 0.010 0.000 1.968 121 K HN 0.405 8.624 8.250 0.029 0.049 0.624 122 N N -1.822 116.880 118.700 0.003 0.000 3.043 122 N HA 0.074 nan 4.740 nan 0.000 0.243 122 N C -1.795 173.692 175.510 -0.039 0.000 1.347 122 N CA 0.545 53.586 53.050 -0.015 0.000 0.896 122 N CB 2.459 40.918 38.487 -0.045 0.000 1.501 122 N HN -0.629 7.747 8.380 -0.007 0.000 0.504 123 F N 2.082 121.942 119.950 -0.151 0.000 2.483 123 F HA 0.273 nan 4.527 nan 0.000 0.329 123 F C -1.411 174.281 175.800 -0.179 0.000 1.064 123 F CA -1.087 56.826 58.000 -0.145 0.000 0.986 123 F CB 3.062 41.977 39.000 -0.142 0.000 1.218 123 F HN 0.422 8.702 8.300 -0.034 0.000 0.484 124 S N 1.847 117.506 115.700 -0.068 0.000 2.537 124 S HA 0.577 nan 4.470 nan 0.000 0.301 124 S C -1.906 172.899 174.600 0.342 0.000 1.092 124 S CA -0.999 57.212 58.200 0.018 0.000 1.048 124 S CB 2.614 65.731 63.200 -0.139 0.000 1.053 124 S HN 0.168 8.009 8.310 -0.781 0.000 0.501 125 F N 2.963 122.890 119.950 -0.037 0.000 3.588 125 F HA 0.136 nan 4.527 nan 0.000 0.396 125 F C -1.163 174.553 175.800 -0.140 0.000 1.213 125 F CA -0.042 57.927 58.000 -0.052 0.000 1.387 125 F CB 2.417 41.353 39.000 -0.106 0.000 2.059 125 F HN -0.227 8.029 8.300 -0.074 0.000 0.754 126 T N 5.348 119.532 114.554 -0.616 0.000 4.219 126 T HA -0.013 nan 4.350 nan 0.000 0.263 126 T C 0.024 174.402 174.700 -0.536 0.000 1.217 126 T CA -1.469 60.328 62.100 -0.505 0.000 1.145 126 T CB -2.101 66.632 68.868 -0.226 0.000 1.298 126 T HN -0.050 8.009 8.240 -0.302 0.000 0.999 127 F N 5.098 124.521 119.950 -0.877 0.000 2.506 127 F HA -0.316 nan 4.527 nan 0.000 0.387 127 F C -1.631 174.039 175.800 -0.216 0.000 1.053 127 F CA 0.560 58.266 58.000 -0.490 0.000 1.083 127 F CB 0.594 39.445 39.000 -0.249 0.000 1.010 127 F HN -0.620 7.187 8.300 -0.822 0.000 0.551 128 N N 8.933 127.340 118.700 -0.490 0.000 2.936 128 N HA 0.190 nan 4.740 nan 0.000 0.243 128 N C -1.241 173.891 175.510 -0.630 0.000 1.149 128 N CA -3.760 48.926 53.050 -0.607 0.000 0.914 128 N CB 0.858 39.237 38.487 -0.180 0.000 1.179 128 N HN 0.038 8.313 8.380 -0.175 0.000 0.502 129 P HA -0.256 nan 4.420 nan 0.000 0.220 129 P C -0.644 176.605 177.300 -0.085 0.000 1.149 129 P CA 1.479 64.282 63.100 -0.495 0.000 0.829 129 P CB 0.112 31.536 31.700 -0.459 0.000 0.772 130 N N -0.852 117.799 118.700 -0.082 0.000 2.419 130 N HA 0.241 nan 4.740 nan 0.000 0.277 130 N C -1.712 173.845 175.510 0.077 0.000 1.006 130 N CA -2.870 50.212 53.050 0.052 0.000 0.923 130 N CB 0.784 39.342 38.487 0.120 0.000 1.140 130 N HN -0.709 7.677 8.380 -0.175 -0.111 0.488 131 P HA 0.233 nan 4.420 nan 0.000 0.218 131 P C 0.436 177.795 177.300 0.098 0.000 1.151 131 P CA 0.312 63.484 63.100 0.120 0.000 0.850 131 P CB 0.936 32.734 31.700 0.163 0.000 0.801 132 C N -4.527 114.831 119.300 0.096 0.000 2.396 132 C HA -0.284 nan 4.460 nan 0.000 0.288 132 C C 0.606 175.632 174.990 0.059 0.000 1.253 132 C CA 1.239 60.304 59.018 0.078 0.000 1.834 132 C CB -1.533 26.252 27.740 0.074 0.000 2.035 132 C HN 0.180 8.473 8.230 0.105 0.000 0.514 133 G N -0.388 108.451 108.800 0.065 0.000 2.693 133 G HA2 -0.028 nan 3.960 nan 0.000 0.119 133 G HA3 -0.028 nan 3.960 nan 0.000 0.119 133 G C -2.573 172.368 174.900 0.068 0.000 1.063 133 G CA 0.123 45.253 45.100 0.050 0.000 1.405 133 G HN -0.156 8.085 8.290 0.079 0.097 0.626 134 D N -0.921 119.523 120.400 0.074 0.000 2.729 134 D HA 0.048 nan 4.640 nan 0.000 0.103 134 D C -0.628 175.730 176.300 0.097 0.000 1.389 134 D CA -0.589 53.477 54.000 0.110 0.000 1.457 134 D CB 0.989 41.812 40.800 0.038 0.000 2.172 134 D HN -0.235 8.168 8.370 0.054 0.000 0.227 135 S N 0.708 116.281 115.700 -0.211 0.000 2.676 135 S HA -0.302 nan 4.470 nan 0.000 0.317 135 S C 0.190 174.491 174.600 -0.499 0.000 1.267 135 S CA 1.708 59.550 58.200 -0.597 0.000 1.024 135 S CB 0.216 63.225 63.200 -0.318 0.000 0.668 135 S HN -0.170 8.032 8.310 -0.180 0.000 0.438 136 W N -2.301 118.989 121.300 -0.016 0.000 3.707 136 W HA 0.158 nan 4.660 nan 0.000 0.294 136 W C -1.896 174.622 176.519 -0.002 0.000 1.248 136 W CA -1.186 56.149 57.345 -0.017 0.000 1.217 136 W CB 0.935 30.374 29.460 -0.035 0.000 1.306 136 W HN 0.103 7.709 8.180 -0.958 0.000 0.532 137 S N 0.816 116.643 115.700 0.213 0.000 2.722 137 S HA 0.316 nan 4.470 nan 0.000 0.292 137 S C 0.504 175.200 174.600 0.161 0.000 1.135 137 S CA -1.842 56.441 58.200 0.139 0.000 1.003 137 S CB 1.764 64.982 63.200 0.030 0.000 1.067 137 S HN 0.094 8.519 8.310 0.192 0.000 0.546 138 A N 2.215 125.112 122.820 0.128 0.000 1.958 138 A HA -0.240 nan 4.320 nan 0.000 0.221 138 A C -0.001 177.606 177.584 0.039 0.000 1.178 138 A CA 2.168 54.268 52.037 0.105 0.000 0.642 138 A CB -0.065 18.988 19.000 0.089 0.000 0.816 138 A HN 0.782 9.006 8.150 0.124 0.000 0.453 139 E N -4.287 115.918 120.200 0.008 0.000 2.250 139 E HA 0.318 nan 4.350 nan 0.000 0.269 139 E C -1.172 175.453 176.600 0.041 0.000 1.018 139 E CA -1.378 55.022 56.400 0.001 0.000 0.873 139 E CB 1.204 30.885 29.700 -0.031 0.000 1.134 139 E HN -0.752 7.591 8.360 0.011 0.024 0.403 140 M N -1.152 118.477 119.600 0.047 0.000 4.925 140 M HA -0.076 nan 4.480 nan 0.000 0.598 140 M C -1.715 174.624 176.300 0.064 0.000 2.026 140 M CA 1.730 57.064 55.300 0.057 0.000 0.675 140 M CB 0.432 33.078 32.600 0.076 0.000 2.867 140 M HN 0.095 8.411 8.290 0.044 0.000 0.728 141 I N -7.263 113.352 120.570 0.076 0.000 4.827 141 I HA 0.193 nan 4.170 nan 0.000 0.362 141 I C -0.316 175.878 176.117 0.128 0.000 1.237 141 I CA -0.015 61.341 61.300 0.092 0.000 1.366 141 I CB 0.188 38.264 38.000 0.126 0.000 1.742 141 I HN -0.124 8.131 8.210 0.074 0.000 0.588 142 S N 3.249 119.029 115.700 0.134 0.000 2.339 142 S HA -0.105 nan 4.470 nan 0.000 0.213 142 S C 1.194 175.880 174.600 0.143 0.000 1.033 142 S CA 2.622 60.928 58.200 0.177 0.000 0.950 142 S CB 0.206 63.449 63.200 0.072 0.000 0.893 142 S HN -0.022 8.344 8.310 0.092 0.000 0.492 143 R N 0.826 121.365 120.500 0.066 0.000 2.555 143 R HA 0.038 nan 4.340 nan 0.000 0.272 143 R C -1.169 175.158 176.300 0.045 0.000 1.089 143 R CA 0.188 56.313 56.100 0.042 0.000 1.126 143 R CB -0.689 29.614 30.300 0.006 0.000 1.250 143 R HN 0.354 8.650 8.270 0.043 0.000 0.551 144 S N -1.300 114.439 115.700 0.065 0.000 2.745 144 S HA 0.110 nan 4.470 nan 0.000 0.232 144 S C -0.907 173.715 174.600 0.037 0.000 0.804 144 S CA -0.669 57.556 58.200 0.042 0.000 1.071 144 S CB 1.108 64.333 63.200 0.042 0.000 1.480 144 S HN -0.225 7.974 8.310 0.100 0.170 0.467 145 R N 1.740 122.292 120.500 0.086 0.000 1.341 145 R HA -0.427 nan 4.340 nan 0.000 0.156 145 R C -0.560 175.547 176.300 -0.322 0.000 0.362 145 R CA 1.130 57.281 56.100 0.085 0.000 0.290 145 R CB -2.506 27.926 30.300 0.220 0.000 1.739 145 R HN -0.299 8.043 8.270 0.120 0.000 0.584 146 V N -1.513 118.218 119.914 -0.306 0.000 2.834 146 V HA 0.044 nan 4.120 nan 0.000 0.301 146 V C -0.877 174.836 176.094 -0.635 0.000 1.066 146 V CA -0.518 61.564 62.300 -0.363 0.000 1.052 146 V CB 0.395 32.137 31.823 -0.134 0.000 1.021 146 V HN -0.152 7.923 8.190 -0.135 0.034 0.480 147 R N 1.422 121.632 120.500 -0.484 0.000 2.686 147 R HA 0.384 nan 4.340 nan 0.000 0.283 147 R C -1.913 174.290 176.300 -0.162 0.000 0.978 147 R CA -1.381 54.494 56.100 -0.375 0.000 0.897 147 R CB 3.833 33.955 30.300 -0.296 0.000 1.192 147 R HN 0.195 8.242 8.270 -0.372 0.000 0.457 148 M N -0.698 118.844 119.600 -0.096 0.000 2.706 148 M HA 0.561 nan 4.480 nan 0.000 0.304 148 M C -1.650 174.671 176.300 0.035 0.000 1.217 148 M CA -2.128 53.154 55.300 -0.029 0.000 0.922 148 M CB 2.473 35.077 32.600 0.005 0.000 1.637 148 M HN -0.152 8.079 8.290 -0.098 0.000 0.492 149 T N -5.311 109.279 114.554 0.061 0.000 2.590 149 T HA 0.638 nan 4.350 nan 0.000 0.282 149 T C -1.280 173.507 174.700 0.145 0.000 0.989 149 T CA -1.784 60.365 62.100 0.081 0.000 1.091 149 T CB 2.817 71.706 68.868 0.035 0.000 1.460 149 T HN -0.350 7.921 8.240 0.053 0.001 0.499 150 V N -5.893 114.110 119.914 0.148 0.000 2.809 150 V HA 0.645 nan 4.120 nan 0.000 0.290 150 V C -2.746 173.407 176.094 0.098 0.000 1.305 150 V CA -0.759 61.701 62.300 0.267 0.000 0.939 150 V CB 2.056 34.085 31.823 0.344 0.000 1.081 150 V HN 0.516 8.761 8.190 0.092 0.000 0.439 151 I N 3.145 123.670 120.570 -0.075 0.000 2.793 151 I HA 0.494 nan 4.170 nan 0.000 0.295 151 I C -1.786 174.110 176.117 -0.369 0.000 1.610 151 I CA -1.010 60.180 61.300 -0.183 0.000 0.986 151 I CB 3.235 41.145 38.000 -0.150 0.000 1.402 151 I HN 0.565 8.650 8.210 -0.174 0.021 0.500 152 C N 3.204 122.328 119.300 -0.293 0.000 2.457 152 C HA 0.194 nan 4.460 nan 0.000 0.262 152 C C -0.646 174.180 174.990 -0.273 0.000 2.638 152 C CA 0.259 59.092 59.018 -0.309 0.000 1.785 152 C CB 0.058 27.689 27.740 -0.182 0.000 1.919 152 C HN 0.515 8.629 8.230 -0.193 0.000 0.507 153 V N -2.254 117.551 119.914 -0.180 0.000 6.059 153 V HA -0.078 nan 4.120 nan 0.000 0.094 153 V C 1.153 177.208 176.094 -0.066 0.000 1.070 153 V CA 1.710 63.946 62.300 -0.106 0.000 0.726 153 V CB -0.165 31.668 31.823 0.016 0.000 0.970 153 V HN 0.271 8.364 8.190 -0.161 0.000 0.711 154 S N 3.002 118.655 115.700 -0.077 0.000 2.406 154 S HA -0.210 nan 4.470 nan 0.000 0.211 154 S C -0.239 174.323 174.600 -0.064 0.000 1.045 154 S CA 2.260 60.409 58.200 -0.085 0.000 1.058 154 S CB 0.220 63.343 63.200 -0.129 0.000 1.044 154 S HN -0.152 8.109 8.310 -0.081 0.000 0.413 155 G N -1.257 107.487 108.800 -0.093 0.000 2.662 155 G HA2 -0.102 nan 3.960 nan 0.000 0.686 155 G HA3 -0.102 nan 3.960 nan 0.000 0.686 155 G C -1.458 173.489 174.900 0.078 0.000 1.271 155 G CA -0.650 44.451 45.100 0.001 0.000 0.816 155 G HN -0.178 8.108 8.290 -0.162 -0.094 0.608 156 W N -1.147 120.120 121.300 -0.056 0.000 2.365 156 W HA 0.236 nan 4.660 nan 0.000 0.371 156 W C 0.205 176.708 176.519 -0.026 0.000 1.006 156 W CA -4.151 53.172 57.345 -0.036 0.000 1.528 156 W CB -2.492 26.957 29.460 -0.019 0.000 1.497 156 W HN -0.062 8.588 8.180 0.783 0.000 0.367 157 T N -2.432 112.232 114.554 0.184 0.000 2.751 157 T HA -0.361 nan 4.350 nan 0.000 0.268 157 T C 0.700 175.439 174.700 0.065 0.000 1.045 157 T CA 1.765 63.929 62.100 0.107 0.000 1.142 157 T CB -0.277 68.649 68.868 0.097 0.000 0.851 157 T HN -0.074 8.257 8.240 0.151 0.000 0.474 158 L N 1.442 122.707 121.223 0.070 0.000 2.342 158 L HA 0.136 nan 4.340 nan 0.000 0.285 158 L C -1.018 175.779 176.870 -0.121 0.000 1.095 158 L CA -0.026 54.800 54.840 -0.023 0.000 0.843 158 L CB -0.912 41.123 42.059 -0.040 0.000 1.201 158 L HN -0.639 7.648 8.230 0.136 0.025 0.445 159 S N 6.488 122.095 115.700 -0.155 0.000 2.474 159 S HA 0.272 nan 4.470 nan 0.000 0.276 159 S C -1.005 173.418 174.600 -0.294 0.000 1.227 159 S CA -1.328 56.712 58.200 -0.266 0.000 1.050 159 S CB 0.870 63.974 63.200 -0.159 0.000 0.939 159 S HN 0.130 8.379 8.310 -0.101 0.000 0.490 160 P HA 0.288 nan 4.420 nan 0.000 0.344 160 P C -0.131 177.013 177.300 -0.260 0.000 1.282 160 P CA -0.643 62.234 63.100 -0.372 0.000 0.769 160 P CB 0.420 31.787 31.700 -0.555 0.000 1.561 161 T N -4.202 110.231 114.554 -0.203 0.000 2.572 161 T HA -0.284 nan 4.350 nan 0.000 0.258 161 T C 0.792 175.436 174.700 -0.093 0.000 1.154 161 T CA 3.459 65.489 62.100 -0.118 0.000 1.157 161 T CB -0.930 67.894 68.868 -0.072 0.000 0.856 161 T HN 0.543 8.656 8.240 -0.213 0.000 0.443 162 T N -0.090 114.406 114.554 -0.097 0.000 2.636 162 T HA 0.075 nan 4.350 nan 0.000 0.232 162 T C -2.200 172.470 174.700 -0.050 0.000 1.011 162 T CA -0.569 61.496 62.100 -0.059 0.000 1.264 162 T CB 0.700 69.553 68.868 -0.025 0.000 1.814 162 T HN -0.457 7.711 8.240 -0.120 0.000 0.433 163 D N 2.484 122.879 120.400 -0.007 0.000 2.502 163 D HA 0.230 nan 4.640 nan 0.000 0.301 163 D C -1.255 175.079 176.300 0.057 0.000 1.202 163 D CA -0.681 53.332 54.000 0.023 0.000 0.878 163 D CB -0.156 40.656 40.800 0.020 0.000 1.062 163 D HN 0.152 8.524 8.370 0.004 0.000 0.499 164 V N 2.171 122.135 119.914 0.083 0.000 2.356 164 V HA -0.087 nan 4.120 nan 0.000 0.244 164 V C 1.051 177.222 176.094 0.129 0.000 1.120 164 V CA 0.286 62.652 62.300 0.110 0.000 1.181 164 V CB -1.819 30.090 31.823 0.144 0.000 1.244 164 V HN 0.339 8.577 8.190 0.080 0.000 0.487 165 I N 2.647 123.278 120.570 0.101 0.000 3.688 165 I HA 0.102 nan 4.170 nan 0.000 0.307 165 I C -0.374 175.804 176.117 0.100 0.000 1.287 165 I CA -1.584 59.778 61.300 0.104 0.000 1.192 165 I CB -2.848 35.202 38.000 0.082 0.000 1.043 165 I HN -0.329 7.930 8.210 0.082 0.000 0.442 166 A N 0.932 123.814 122.820 0.103 0.000 3.499 166 A HA -0.448 nan 4.320 nan 0.000 1.021 166 A C -0.671 176.955 177.584 0.070 0.000 1.985 166 A CA 2.033 54.121 52.037 0.085 0.000 3.391 166 A CB -0.064 18.988 19.000 0.087 0.000 1.705 166 A HN -0.560 7.569 8.150 0.118 0.092 1.027 167 K N -1.879 118.556 120.400 0.057 0.000 2.376 167 K HA 0.299 nan 4.320 nan 0.000 0.257 167 K C -1.478 175.162 176.600 0.066 0.000 0.939 167 K CA -1.373 54.947 56.287 0.054 0.000 0.809 167 K CB 2.079 34.605 32.500 0.042 0.000 1.121 167 K HN 0.136 8.417 8.250 0.052 0.000 0.425 168 L N 5.939 127.224 121.223 0.103 0.000 2.302 168 L HA 0.130 nan 4.340 nan 0.000 0.285 168 L C -1.563 175.496 176.870 0.315 0.000 1.090 168 L CA -0.985 53.985 54.840 0.218 0.000 0.866 168 L CB 0.443 42.671 42.059 0.280 0.000 1.244 168 L HN -0.094 8.185 8.230 0.082 0.000 0.435 169 D N 7.327 127.919 120.400 0.321 0.000 2.303 169 D HA 0.386 nan 4.640 nan 0.000 0.236 169 D C -1.536 175.080 176.300 0.528 0.000 1.068 169 D CA -0.250 53.949 54.000 0.332 0.000 0.830 169 D CB 1.490 42.355 40.800 0.108 0.000 1.109 169 D HN -0.403 8.074 8.370 0.178 0.000 0.496 170 W N 1.248 122.541 121.300 -0.012 0.000 2.940 170 W HA 0.523 nan 4.660 nan 0.000 0.394 170 W C -1.690 174.838 176.519 0.014 0.000 1.155 170 W CA -1.645 55.700 57.345 -0.001 0.000 1.165 170 W CB 1.799 31.277 29.460 0.030 0.000 1.492 170 W HN 0.031 8.470 8.180 0.430 0.000 0.593 171 S N -3.220 112.651 115.700 0.285 0.000 5.633 171 S HA -0.113 nan 4.470 nan 0.000 0.090 171 S C -1.090 173.525 174.600 0.026 0.000 1.112 171 S CA 1.073 59.254 58.200 -0.031 0.000 1.357 171 S CB 1.010 63.725 63.200 -0.808 0.000 1.491 171 S HN -0.064 8.473 8.310 0.378 0.000 0.443 172 I N -0.998 119.569 120.570 -0.005 0.000 1.786 172 I HA -0.078 nan 4.170 nan 0.000 0.316 172 I C -2.975 173.143 176.117 0.003 0.000 2.945 172 I CA 0.346 61.655 61.300 0.015 0.000 0.994 172 I CB 2.720 40.787 38.000 0.112 0.000 2.263 172 I HN -0.571 7.621 8.210 -0.030 0.000 0.695 173 V N -5.321 114.613 119.914 0.033 0.000 3.147 173 V HA 0.192 nan 4.120 nan 0.000 0.299 173 V C -1.615 174.510 176.094 0.051 0.000 1.302 173 V CA -1.703 60.608 62.300 0.018 0.000 1.015 173 V CB 1.938 33.752 31.823 -0.016 0.000 1.086 173 V HN -0.232 8.001 8.190 0.071 0.000 0.437 174 N N 1.950 120.667 118.700 0.028 0.000 3.303 174 N HA -0.062 nan 4.740 nan 0.000 0.304 174 N C -0.543 174.976 175.510 0.015 0.000 1.302 174 N CA -0.125 52.939 53.050 0.024 0.000 1.213 174 N CB -0.885 37.606 38.487 0.006 0.000 1.481 174 N HN 0.309 8.696 8.380 0.013 0.000 0.546 175 E N -0.343 119.873 120.200 0.026 0.000 2.222 175 E HA 0.123 nan 4.350 nan 0.000 0.267 175 E C -0.250 176.362 176.600 0.019 0.000 0.963 175 E CA -1.299 55.108 56.400 0.013 0.000 0.837 175 E CB 2.388 32.091 29.700 0.004 0.000 1.183 175 E HN -0.680 7.674 8.360 0.048 0.035 0.403 176 K N 1.778 122.182 120.400 0.005 0.000 2.111 176 K HA 0.065 nan 4.320 nan 0.000 0.249 176 K C -0.215 176.392 176.600 0.011 0.000 1.157 176 K CA -1.033 55.256 56.287 0.002 0.000 1.048 176 K CB -2.264 30.228 32.500 -0.012 0.000 1.498 176 K HN 0.202 8.451 8.250 -0.002 0.000 0.344 177 C N 3.048 122.368 119.300 0.032 0.000 2.419 177 C HA -0.055 nan 4.460 nan 0.000 0.398 177 C C 0.460 175.470 174.990 0.033 0.000 1.498 177 C CA -0.876 58.170 59.018 0.046 0.000 1.494 177 C CB -1.059 26.734 27.740 0.088 0.000 2.485 177 C HN -0.055 8.200 8.230 0.041 0.000 0.608 178 E N 3.978 124.199 120.200 0.034 0.000 2.044 178 E HA 0.254 nan 4.350 nan 0.000 0.282 178 E C -1.641 174.984 176.600 0.041 0.000 1.031 178 E CA -2.830 53.584 56.400 0.024 0.000 0.824 178 E CB 0.063 29.767 29.700 0.006 0.000 1.076 178 E HN 0.272 8.656 8.360 0.041 0.000 0.395 179 P HA -0.030 nan 4.420 nan 0.000 0.263 179 P C -1.198 176.108 177.300 0.010 0.000 1.345 179 P CA -0.051 63.067 63.100 0.030 0.000 1.119 179 P CB -0.979 30.733 31.700 0.020 0.000 1.363 180 T N 4.558 119.130 114.554 0.030 0.000 2.901 180 T HA 0.069 nan 4.350 nan 0.000 0.301 180 T C -0.367 174.213 174.700 -0.201 0.000 1.012 180 T CA 0.042 62.129 62.100 -0.022 0.000 1.135 180 T CB 0.845 69.770 68.868 0.095 0.000 0.936 180 T HN 0.096 8.376 8.240 0.067 0.000 0.539 181 I N -0.584 119.664 120.570 -0.535 0.000 3.176 181 I HA 0.180 nan 4.170 nan 0.000 0.311 181 I C -2.122 173.225 176.117 -1.282 0.000 1.373 181 I CA -1.704 59.025 61.300 -0.951 0.000 0.938 181 I CB 2.772 40.647 38.000 -0.209 0.000 1.322 181 I HN -0.286 7.668 8.210 -0.427 0.000 0.499 182 Y N -1.765 118.472 120.300 -0.106 0.000 2.317 182 Y HA 0.269 nan 4.550 nan 0.000 0.325 182 Y C -1.383 174.108 175.900 -0.683 0.000 1.066 182 Y CA -1.679 56.196 58.100 -0.374 0.000 1.203 182 Y CB 1.035 39.170 38.460 -0.541 0.000 1.127 182 Y HN -0.068 7.945 8.280 -0.445 0.000 0.451 183 H N 5.537 124.455 119.070 -0.254 0.000 3.191 183 H HA -0.125 nan 4.556 nan 0.000 0.261 183 H C -0.111 175.181 175.328 -0.060 0.000 1.013 183 H CA 0.103 56.073 56.048 -0.130 0.000 1.457 183 H CB -0.512 29.213 29.762 -0.062 0.000 1.535 183 H HN 0.093 8.393 8.280 0.035 0.000 0.518 184 L N 6.066 127.509 121.223 0.367 0.000 2.030 184 L HA -0.367 nan 4.340 nan 0.000 0.222 184 L C 0.658 177.479 176.870 -0.081 0.000 1.082 184 L CA 2.662 57.702 54.840 0.333 0.000 0.785 184 L CB -0.026 42.371 42.059 0.562 0.000 0.895 184 L HN -0.118 8.460 8.230 0.580 0.000 0.439 185 A N -1.811 120.507 122.820 -0.837 0.000 2.618 185 A HA -0.165 nan 4.320 nan 0.000 0.293 185 A C -0.174 177.080 177.584 -0.550 0.000 1.413 185 A CA 0.569 52.153 52.037 -0.756 0.000 1.074 185 A CB -1.458 17.008 19.000 -0.891 0.000 1.087 185 A HN -0.208 7.456 8.150 -0.810 0.000 0.553 186 D N 4.384 124.701 120.400 -0.138 0.000 2.205 186 D HA -0.339 nan 4.640 nan 0.000 0.190 186 D C 0.796 176.990 176.300 -0.176 0.000 1.002 186 D CA 1.877 55.889 54.000 0.020 0.000 0.848 186 D CB -0.173 40.721 40.800 0.156 0.000 0.975 186 D HN 0.068 8.414 8.370 -0.052 -0.007 0.449 187 C N 2.204 121.387 119.300 -0.196 0.000 2.531 187 C HA -0.237 nan 4.460 nan 0.000 0.401 187 C C -0.567 174.238 174.990 -0.309 0.000 1.473 187 C CA 0.950 59.834 59.018 -0.222 0.000 1.472 187 C CB -2.510 25.142 27.740 -0.146 0.000 2.429 187 C HN -0.277 7.856 8.230 -0.160 0.000 0.620 188 Q N 4.752 124.247 119.800 -0.508 0.000 2.391 188 Q HA 0.227 nan 4.340 nan 0.000 0.279 188 Q C -2.045 173.738 176.000 -0.363 0.000 1.028 188 Q CA -1.763 53.750 55.803 -0.484 0.000 0.836 188 Q CB 3.225 31.528 28.738 -0.725 0.000 1.414 188 Q HN 0.474 8.285 8.270 -0.625 0.084 0.397 189 N N 0.343 118.958 118.700 -0.142 0.000 2.371 189 N HA -0.274 nan 4.740 nan 0.000 0.243 189 N C -0.100 175.475 175.510 0.108 0.000 1.287 189 N CA -0.339 52.716 53.050 0.008 0.000 0.911 189 N CB 0.230 38.747 38.487 0.050 0.000 1.142 189 N HN 0.197 8.515 8.380 -0.102 0.000 0.451 190 W N 0.105 121.411 121.300 0.009 0.000 2.944 190 W HA -0.401 nan 4.660 nan 0.000 0.193 190 W C -2.453 174.192 176.519 0.210 0.000 0.647 190 W CA 0.810 58.202 57.345 0.079 0.000 0.487 190 W CB 0.495 29.982 29.460 0.044 0.000 2.512 190 W HN 0.284 8.646 8.180 0.303 0.000 0.400 191 L N 1.047 121.834 121.223 -0.726 0.000 2.565 191 L HA 0.449 nan 4.340 nan 0.000 0.261 191 L C -2.780 173.806 176.870 -0.474 0.000 0.932 191 L CA -2.483 52.248 54.840 -0.182 0.000 0.878 191 L CB 2.653 44.695 42.059 -0.027 0.000 1.333 191 L HN -0.171 6.654 8.230 -2.342 0.000 0.409 192 P HA 0.539 nan 4.420 nan 0.000 0.313 192 P C -2.525 174.886 177.300 0.184 0.000 1.452 192 P CA -1.000 62.192 63.100 0.153 0.000 1.129 192 P CB 2.108 34.000 31.700 0.320 0.000 1.417 193 L N -2.946 118.354 121.223 0.129 0.000 1.298 193 L HA 0.055 nan 4.340 nan 0.000 0.107 193 L C -0.462 176.442 176.870 0.056 0.000 1.382 193 L CA 0.612 55.488 54.840 0.060 0.000 1.213 193 L CB 0.343 42.367 42.059 -0.060 0.000 2.496 193 L HN 0.115 8.414 8.230 0.115 0.000 0.468 194 N N -3.222 115.486 118.700 0.012 0.000 2.509 194 N HA -0.290 nan 4.740 nan 0.000 0.201 194 N C -1.379 174.123 175.510 -0.014 0.000 1.341 194 N CA 1.859 54.918 53.050 0.015 0.000 2.622 194 N CB -0.687 37.848 38.487 0.080 0.000 0.861 194 N HN -0.128 8.232 8.380 -0.035 0.000 0.466 195 R N 0.028 120.528 120.500 -0.001 0.000 1.826 195 R HA -0.326 nan 4.340 nan 0.000 0.359 195 R C -0.747 175.461 176.300 -0.153 0.000 1.240 195 R CA 0.820 56.881 56.100 -0.065 0.000 1.176 195 R CB -0.961 29.282 30.300 -0.095 0.000 3.343 195 R HN -0.549 7.638 8.270 0.031 0.101 0.487 196 W N 5.722 126.760 121.300 -0.436 0.000 2.358 196 W HA 0.099 nan 4.660 nan 0.000 0.307 196 W C -1.281 174.892 176.519 -0.577 0.000 1.203 196 W CA -0.942 56.121 57.345 -0.471 0.000 1.279 196 W CB 0.376 29.608 29.460 -0.381 0.000 1.264 196 W HN 0.263 8.228 8.180 -0.357 0.000 0.474 197 M N 4.168 122.824 119.600 -1.573 0.000 4.311 197 M HA 0.250 nan 4.480 nan 0.000 0.565 197 M C -0.754 174.966 176.300 -0.966 0.000 1.923 197 M CA -1.493 53.117 55.300 -1.150 0.000 0.604 197 M CB -0.065 32.172 32.600 -0.605 0.000 1.527 197 M HN -0.000 7.363 8.290 -1.545 0.000 0.607 198 G N 0.904 108.907 108.800 -1.328 0.000 2.421 198 G HA2 -0.088 nan 3.960 nan 0.000 0.238 198 G HA3 -0.088 nan 3.960 nan 0.000 0.238 198 G C -0.719 173.958 174.900 -0.371 0.000 1.544 198 G CA -0.366 44.313 45.100 -0.702 0.000 1.044 198 G HN -0.484 6.359 8.290 -2.412 0.000 0.537 199 K N -1.403 118.857 120.400 -0.234 0.000 6.698 199 K HA -0.386 nan 4.320 nan 0.000 0.574 199 K C -0.809 175.630 176.600 -0.270 0.000 2.574 199 K CA 1.479 57.653 56.287 -0.189 0.000 2.016 199 K CB -0.012 32.447 32.500 -0.069 0.000 1.967 199 K HN 0.159 8.271 8.250 -0.229 0.000 0.324 200 L N 0.224 121.186 121.223 -0.435 0.000 2.559 200 L HA 0.108 nan 4.340 nan 0.000 0.276 200 L C -1.348 175.057 176.870 -0.776 0.000 1.457 200 L CA -1.158 53.301 54.840 -0.635 0.000 0.708 200 L CB 0.533 42.132 42.059 -0.767 0.000 0.987 200 L HN 0.016 8.319 8.230 -0.457 -0.348 0.518 201 T N -0.684 113.672 114.554 -0.331 0.000 2.458 201 T HA -0.312 nan 4.350 nan 0.000 0.213 201 T C -0.661 174.077 174.700 0.063 0.000 1.222 201 T CA 1.454 63.480 62.100 -0.123 0.000 3.915 201 T CB -1.945 66.906 68.868 -0.027 0.000 0.566 201 T HN -0.182 7.919 8.240 -0.231 0.000 0.202 202 F N 4.933 124.948 119.950 0.108 0.000 2.404 202 F HA 0.102 nan 4.527 nan 0.000 0.358 202 F C -1.814 174.062 175.800 0.126 0.000 1.120 202 F CA -3.495 54.587 58.000 0.136 0.000 1.144 202 F CB 0.920 40.064 39.000 0.239 0.000 1.133 202 F HN 0.458 8.605 8.300 -0.014 0.144 0.495 203 P HA -0.066 nan 4.420 nan 0.000 0.270 203 P C -0.585 176.787 177.300 0.121 0.000 1.227 203 P CA -0.140 63.051 63.100 0.152 0.000 0.788 203 P CB 0.444 32.203 31.700 0.098 0.000 0.926 204 Q N -0.145 119.708 119.800 0.089 0.000 2.422 204 Q HA -0.059 nan 4.340 nan 0.000 0.179 204 Q C 1.647 177.661 176.000 0.025 0.000 1.119 204 Q CA 0.299 56.136 55.803 0.058 0.000 1.063 204 Q CB 0.540 29.309 28.738 0.052 0.000 2.493 204 Q HN 0.217 8.538 8.270 0.084 0.000 0.545 205 G N -1.526 107.281 108.800 0.012 0.000 2.578 205 G HA2 -0.316 nan 3.960 nan 0.000 0.284 205 G HA3 -0.316 nan 3.960 nan 0.000 0.284 205 G C -1.327 173.561 174.900 -0.020 0.000 1.283 205 G CA 0.496 45.595 45.100 -0.001 0.000 0.944 205 G HN -0.135 8.165 8.290 0.017 0.000 0.558 206 V N -1.093 118.804 119.914 -0.027 0.000 2.656 206 V HA 0.125 nan 4.120 nan 0.000 0.312 206 V C -0.863 175.205 176.094 -0.044 0.000 1.181 206 V CA -0.968 61.302 62.300 -0.050 0.000 1.250 206 V CB -0.373 31.418 31.823 -0.054 0.000 1.468 206 V HN -0.075 8.103 8.190 -0.019 0.000 0.651 207 T N 3.112 117.649 114.554 -0.029 0.000 2.819 207 T HA -0.157 nan 4.350 nan 0.000 0.282 207 T C 1.225 175.902 174.700 -0.038 0.000 1.013 207 T CA 0.421 62.510 62.100 -0.019 0.000 1.159 207 T CB 0.466 69.335 68.868 0.002 0.000 1.007 207 T HN -0.201 8.025 8.240 -0.022 0.000 0.514 208 S N 7.975 123.659 115.700 -0.027 0.000 3.911 208 S HA -0.042 nan 4.470 nan 0.000 0.188 208 S C -0.344 174.242 174.600 -0.023 0.000 1.147 208 S CA 0.948 59.130 58.200 -0.030 0.000 0.961 208 S CB -0.715 62.475 63.200 -0.017 0.000 1.582 208 S HN 0.454 8.753 8.310 -0.018 0.000 0.458 209 E N 2.721 122.882 120.200 -0.065 0.000 2.397 209 E HA 0.029 nan 4.350 nan 0.000 0.254 209 E C -1.289 175.258 176.600 -0.088 0.000 1.231 209 E CA -0.553 55.800 56.400 -0.079 0.000 0.954 209 E CB 1.098 30.697 29.700 -0.167 0.000 1.024 209 E HN 0.128 8.386 8.360 -0.097 0.043 0.481 210 V N -2.809 117.056 119.914 -0.082 0.000 5.560 210 V HA -0.050 nan 4.120 nan 0.000 0.292 210 V C -1.517 174.553 176.094 -0.041 0.000 1.065 210 V CA 0.441 62.659 62.300 -0.136 0.000 1.707 210 V CB 0.994 32.762 31.823 -0.091 0.000 0.177 210 V HN 0.204 8.368 8.190 -0.042 0.000 0.444 211 R N 2.804 123.308 120.500 0.007 0.000 4.164 211 R HA 0.139 nan 4.340 nan 0.000 0.195 211 R C 0.577 176.903 176.300 0.044 0.000 1.712 211 R CA -0.476 55.674 56.100 0.082 0.000 1.457 211 R CB -1.406 29.007 30.300 0.188 0.000 1.387 211 R HN 0.332 8.604 8.270 0.003 0.000 0.785 212 R N 1.864 122.401 120.500 0.061 0.000 2.690 212 R HA -0.476 nan 4.340 nan 0.000 0.207 212 R C -0.463 175.891 176.300 0.089 0.000 0.819 212 R CA 1.959 58.155 56.100 0.160 0.000 0.477 212 R CB -1.187 29.360 30.300 0.411 0.000 0.681 212 R HN 0.438 8.676 8.270 0.066 0.072 0.305 213 M N -3.262 116.346 119.600 0.014 0.000 5.488 213 M HA -0.198 nan 4.480 nan 0.000 0.157 213 M C -2.876 173.003 176.300 -0.702 0.000 1.251 213 M CA -0.196 54.964 55.300 -0.235 0.000 1.181 213 M CB -1.722 30.750 32.600 -0.215 0.000 1.099 213 M HN 0.058 8.399 8.290 0.085 0.000 0.190 214 P HA 0.178 nan 4.420 nan 0.000 0.331 214 P C -1.314 175.392 177.300 -0.989 0.000 1.426 214 P CA 0.000 61.815 63.100 -2.143 0.000 0.880 214 P CB 1.111 32.228 31.700 -0.972 0.000 2.175 215 L N -3.109 117.884 121.223 -0.383 0.000 2.658 215 L HA 0.095 nan 4.340 nan 0.000 0.245 215 L C -0.699 176.321 176.870 0.250 0.000 1.224 215 L CA 0.293 55.140 54.840 0.012 0.000 0.932 215 L CB -0.223 41.914 42.059 0.130 0.000 1.111 215 L HN -0.047 8.034 8.230 -0.248 0.000 0.621 216 S N 1.062 116.875 115.700 0.187 0.000 2.441 216 S HA -0.107 nan 4.470 nan 0.000 0.224 216 S C -0.338 174.471 174.600 0.349 0.000 1.043 216 S CA 1.629 60.024 58.200 0.325 0.000 0.948 216 S CB 0.671 63.984 63.200 0.188 0.000 0.810 216 S HN 0.337 8.677 8.310 0.049 0.000 0.504 217 I N -6.058 114.632 120.570 0.200 0.000 8.585 217 I HA -0.325 nan 4.170 nan 0.000 0.126 217 I C -1.635 174.502 176.117 0.032 0.000 1.772 217 I CA 0.466 61.814 61.300 0.079 0.000 2.160 217 I CB 0.114 38.066 38.000 -0.079 0.000 3.704 217 I HN -0.704 7.596 8.210 0.150 0.000 0.205 218 G N 6.007 114.799 108.800 -0.013 0.000 1.950 218 G HA2 -0.093 nan 3.960 nan 0.000 0.231 218 G HA3 -0.093 nan 3.960 nan 0.000 0.231 218 G C -0.912 173.966 174.900 -0.036 0.000 1.685 218 G CA -0.310 44.760 45.100 -0.051 0.000 0.922 218 G HN -0.315 8.192 8.290 0.008 -0.212 0.717 219 G N 4.829 113.589 108.800 -0.067 0.000 5.452 219 G HA2 -0.503 nan 3.960 nan 0.000 0.310 219 G HA3 -0.503 nan 3.960 nan 0.000 0.310 219 G C -1.077 173.814 174.900 -0.015 0.000 1.392 219 G CA 1.229 46.298 45.100 -0.051 0.000 0.942 219 G HN 0.425 8.560 8.290 -0.112 0.088 0.776 220 G N 1.159 109.972 108.800 0.022 0.000 2.825 220 G HA2 0.150 nan 3.960 nan 0.000 0.100 220 G HA3 0.150 nan 3.960 nan 0.000 0.100 220 G C -2.971 171.978 174.900 0.081 0.000 1.195 220 G CA 0.506 45.578 45.100 -0.047 0.000 1.317 220 G HN -0.196 8.070 8.290 0.038 0.047 0.632 221 A N -1.253 121.550 122.820 -0.028 0.000 2.599 221 A HA 0.489 nan 4.320 nan 0.000 0.290 221 A C -0.796 176.896 177.584 0.179 0.000 1.101 221 A CA -0.680 51.445 52.037 0.146 0.000 0.674 221 A CB 2.241 21.463 19.000 0.369 0.000 1.277 221 A HN -0.386 7.619 8.150 -0.164 0.047 0.419 222 G N -1.376 107.568 108.800 0.240 0.000 2.190 222 G HA2 -0.169 nan 3.960 nan 0.000 0.295 222 G HA3 -0.169 nan 3.960 nan 0.000 0.295 222 G C -1.546 173.436 174.900 0.137 0.000 1.507 222 G CA 0.129 45.421 45.100 0.319 0.000 1.034 222 G HN 0.442 8.856 8.290 0.206 0.000 0.483 223 A N -4.266 118.606 122.820 0.086 0.000 2.498 223 A HA -0.063 nan 4.320 nan 0.000 0.592 223 A C -1.735 175.843 177.584 -0.010 0.000 0.427 223 A CA -0.556 51.485 52.037 0.006 0.000 0.319 223 A CB 0.297 19.266 19.000 -0.051 0.000 3.306 223 A HN -0.286 7.945 8.150 0.134 0.000 0.494 224 T N 1.994 116.536 114.554 -0.020 0.000 2.500 224 T HA -0.159 nan 4.350 nan 0.000 0.241 224 T C -0.440 174.223 174.700 -0.061 0.000 1.075 224 T CA 1.723 63.810 62.100 -0.021 0.000 1.323 224 T CB -1.220 67.631 68.868 -0.028 0.000 1.061 224 T HN 0.030 8.259 8.240 -0.019 0.000 0.498 225 Q N -0.469 119.320 119.800 -0.019 0.000 2.402 225 Q HA -0.483 nan 4.340 nan 0.000 0.370 225 Q C -1.831 173.978 176.000 -0.317 0.000 1.334 225 Q CA 0.410 56.180 55.803 -0.055 0.000 1.151 225 Q CB -1.382 27.354 28.738 -0.005 0.000 1.324 225 Q HN 0.585 8.877 8.270 0.036 0.000 0.332 226 A N -1.744 120.732 122.820 -0.573 0.000 2.599 226 A HA 0.336 nan 4.320 nan 0.000 0.294 226 A C -2.514 174.552 177.584 -0.863 0.000 1.055 226 A CA 0.033 51.612 52.037 -0.763 0.000 0.683 226 A CB 2.388 21.191 19.000 -0.328 0.000 1.278 226 A HN -0.236 7.684 8.150 -0.383 0.000 0.412 227 F N -2.531 117.399 119.950 -0.034 0.000 2.900 227 F HA 0.482 nan 4.527 nan 0.000 0.375 227 F C -1.304 174.451 175.800 -0.075 0.000 1.258 227 F CA -2.123 55.851 58.000 -0.043 0.000 1.094 227 F CB 1.841 40.819 39.000 -0.035 0.000 1.505 227 F HN -0.026 7.794 8.300 -0.800 0.000 0.510 228 L N -6.378 114.913 121.223 0.113 0.000 2.409 228 L HA 0.230 nan 4.340 nan 0.000 0.262 228 L C -0.247 176.542 176.870 -0.135 0.000 1.346 228 L CA -0.369 54.434 54.840 -0.062 0.000 0.848 228 L CB 1.982 43.945 42.059 -0.160 0.000 1.006 228 L HN -0.109 8.234 8.230 0.188 0.000 0.505 229 A N 4.258 127.038 122.820 -0.066 0.000 2.561 229 A HA 0.050 nan 4.320 nan 0.000 0.234 229 A C -1.029 176.487 177.584 -0.112 0.000 1.055 229 A CA 0.624 52.615 52.037 -0.077 0.000 0.756 229 A CB 0.073 19.044 19.000 -0.048 0.000 0.986 229 A HN 0.350 8.490 8.150 -0.017 0.000 0.505 230 N N 1.038 119.680 118.700 -0.096 0.000 3.157 230 N HA 0.278 nan 4.740 nan 0.000 0.291 230 N C -0.441 175.053 175.510 -0.026 0.000 1.515 230 N CA -0.918 52.092 53.050 -0.065 0.000 0.807 230 N CB 1.479 39.914 38.487 -0.086 0.000 1.672 230 N HN 0.323 8.568 8.380 -0.072 0.092 0.592 231 M N -1.011 118.590 119.600 0.001 0.000 2.558 231 M HA 0.229 nan 4.480 nan 0.000 0.255 231 M C -1.669 174.603 176.300 -0.047 0.000 1.113 231 M CA -0.182 55.096 55.300 -0.037 0.000 1.097 231 M CB -1.364 31.230 32.600 -0.010 0.000 1.426 231 M HN 0.768 9.075 8.290 0.027 0.000 0.488 232 P HA 0.117 nan 4.420 nan 0.000 0.245 232 P C -0.779 176.493 177.300 -0.047 0.000 1.203 232 P CA 1.156 64.261 63.100 0.008 0.000 0.792 232 P CB 0.138 31.892 31.700 0.090 0.000 0.997 233 N N -2.947 115.740 118.700 -0.020 0.000 2.564 233 N HA 0.043 nan 4.740 nan 0.000 0.202 233 N C 1.914 177.340 175.510 -0.139 0.000 1.052 233 N CA 1.633 54.648 53.050 -0.059 0.000 0.872 233 N CB 1.703 40.228 38.487 0.064 0.000 1.303 233 N HN -0.664 7.667 8.380 0.006 0.052 0.440 234 S N 1.239 116.867 115.700 -0.121 0.000 2.387 234 S HA -0.129 nan 4.470 nan 0.000 0.221 234 S C 1.144 175.658 174.600 -0.144 0.000 1.041 234 S CA 3.780 61.894 58.200 -0.143 0.000 0.959 234 S CB 0.278 63.417 63.200 -0.101 0.000 0.843 234 S HN -0.773 7.485 8.310 -0.086 0.000 0.488 235 W N 1.299 122.415 121.300 -0.307 0.000 2.595 235 W HA -0.176 nan 4.660 nan 0.000 0.257 235 W C 0.683 176.945 176.519 -0.429 0.000 1.267 235 W CA 1.558 58.725 57.345 -0.295 0.000 1.300 235 W CB -0.136 29.186 29.460 -0.231 0.000 1.120 235 W HN 0.014 8.178 8.180 -0.025 0.000 0.618 236 I N -1.509 118.870 120.570 -0.317 0.000 3.609 236 I HA -0.134 nan 4.170 nan 0.000 0.305 236 I C -1.273 174.275 176.117 -0.948 0.000 1.239 236 I CA -0.655 60.321 61.300 -0.541 0.000 1.191 236 I CB -2.861 34.943 38.000 -0.327 0.000 1.020 236 I HN 0.080 8.140 8.210 -0.201 0.030 0.471 237 S N -1.426 113.505 115.700 -1.282 0.000 4.310 237 S HA 0.146 nan 4.470 nan 0.000 0.230 237 S C 0.014 173.869 174.600 -1.242 0.000 1.101 237 S CA -0.451 56.844 58.200 -1.509 0.000 1.153 237 S CB 1.105 63.932 63.200 -0.621 0.000 1.962 237 S HN -0.747 6.837 8.310 -0.958 0.151 0.593 238 M N -3.329 115.950 119.600 -0.536 0.000 2.832 238 M HA -0.364 nan 4.480 nan 0.000 0.151 238 M C -0.159 176.075 176.300 -0.109 0.000 0.691 238 M CA 2.015 57.189 55.300 -0.211 0.000 0.581 238 M CB -1.789 30.776 32.600 -0.058 0.000 2.120 238 M HN 0.159 8.196 8.290 -0.421 0.000 0.260 239 W N -0.216 121.098 121.300 0.024 0.000 1.959 239 W HA -0.195 nan 4.660 nan 0.000 0.352 239 W C -0.161 176.313 176.519 -0.074 0.000 1.348 239 W CA -0.387 56.956 57.345 -0.002 0.000 1.411 239 W CB -0.430 29.047 29.460 0.029 0.000 1.318 239 W HN -0.265 7.744 8.180 -0.187 0.059 0.669 240 R N 0.125 120.796 120.500 0.284 0.000 1.371 240 R HA -0.001 nan 4.340 nan 0.000 0.100 240 R C 0.651 176.958 176.300 0.013 0.000 1.357 240 R CA -0.499 55.537 56.100 -0.106 0.000 1.953 240 R CB 1.108 31.020 30.300 -0.647 0.000 0.918 240 R HN 0.143 8.554 8.270 0.298 0.038 0.642 241 Y N -3.453 116.874 120.300 0.045 0.000 2.607 241 Y HA -0.084 nan 4.550 nan 0.000 0.348 241 Y C -0.228 175.507 175.900 -0.275 0.000 1.261 241 Y CA -0.301 57.694 58.100 -0.174 0.000 1.480 241 Y CB 0.067 38.327 38.460 -0.332 0.000 1.358 241 Y HN -0.423 7.013 8.280 -1.406 0.000 0.630 242 F N -0.358 119.190 119.950 -0.670 0.000 2.507 242 F HA 0.540 nan 4.527 nan 0.000 0.327 242 F C -1.856 173.042 175.800 -1.503 0.000 1.068 242 F CA -2.757 54.784 58.000 -0.766 0.000 0.965 242 F CB 3.878 42.818 39.000 -0.099 0.000 1.192 242 F HN 0.251 8.133 8.300 -0.752 -0.033 0.476 243 R N 3.189 122.949 120.500 -1.233 0.000 2.639 243 R HA 0.294 nan 4.340 nan 0.000 0.273 243 R C -1.914 174.247 176.300 -0.232 0.000 1.732 243 R CA -0.737 54.865 56.100 -0.831 0.000 1.586 243 R CB 1.094 31.080 30.300 -0.522 0.000 1.263 243 R HN -0.128 7.691 8.270 -0.752 0.000 0.615 244 G N 0.845 109.619 108.800 -0.043 0.000 2.601 244 G HA2 0.062 nan 3.960 nan 0.000 0.291 244 G HA3 0.062 nan 3.960 nan 0.000 0.291 244 G C -2.210 172.824 174.900 0.222 0.000 1.456 244 G CA -0.103 45.080 45.100 0.137 0.000 0.804 244 G HN -0.533 7.722 8.290 -0.059 0.000 0.499 245 E N 0.943 121.282 120.200 0.231 0.000 1.795 245 E HA -0.120 nan 4.350 nan 0.000 0.261 245 E C -0.983 175.721 176.600 0.172 0.000 1.238 245 E CA -0.637 55.905 56.400 0.235 0.000 1.001 245 E CB -1.328 28.473 29.700 0.168 0.000 1.065 245 E HN -0.139 8.340 8.360 0.197 0.000 0.418 246 L N 3.338 124.657 121.223 0.159 0.000 2.376 246 L HA 0.404 nan 4.340 nan 0.000 0.267 246 L C -1.480 175.301 176.870 -0.148 0.000 1.035 246 L CA -1.498 53.305 54.840 -0.061 0.000 0.800 246 L CB 2.067 44.089 42.059 -0.061 0.000 1.290 246 L HN -0.374 8.009 8.230 0.254 0.000 0.462 247 H N -4.765 114.026 119.070 -0.464 0.000 3.094 247 H HA 0.150 nan 4.556 nan 0.000 0.346 247 H C -1.996 172.995 175.328 -0.561 0.000 1.238 247 H CA -1.217 54.531 56.048 -0.500 0.000 1.209 247 H CB 3.048 32.741 29.762 -0.115 0.000 1.911 247 H HN -0.050 7.823 8.280 -0.678 0.000 0.540 248 F N -1.442 118.629 119.950 0.202 0.000 2.362 248 F HA 0.181 nan 4.527 nan 0.000 0.311 248 F C -0.782 175.095 175.800 0.128 0.000 1.161 248 F CA -1.581 56.471 58.000 0.087 0.000 1.085 248 F CB 1.198 40.227 39.000 0.047 0.000 1.311 248 F HN -0.090 8.386 8.300 0.294 0.000 0.524 249 E N -0.041 120.307 120.200 0.247 0.000 2.460 249 E HA 0.074 nan 4.350 nan 0.000 0.249 249 E C -2.322 174.339 176.600 0.101 0.000 0.962 249 E CA -1.280 55.210 56.400 0.150 0.000 0.787 249 E CB 2.089 31.858 29.700 0.115 0.000 1.341 249 E HN -0.034 8.582 8.360 0.249 -0.107 0.407 250 V N 3.867 123.843 119.914 0.104 0.000 3.036 250 V HA 0.533 nan 4.120 nan 0.000 0.308 250 V C -2.227 173.968 176.094 0.170 0.000 1.070 250 V CA -2.119 60.270 62.300 0.147 0.000 1.056 250 V CB 2.572 34.558 31.823 0.271 0.000 1.084 250 V HN -0.170 7.975 8.190 0.073 0.089 0.471 251 T N 3.546 118.218 114.554 0.196 0.000 2.802 251 T HA 0.189 nan 4.350 nan 0.000 0.311 251 T C -2.100 172.527 174.700 -0.121 0.000 1.405 251 T CA -0.184 61.973 62.100 0.094 0.000 1.016 251 T CB 3.200 72.069 68.868 0.002 0.000 1.352 251 T HN 0.249 8.682 8.240 0.192 -0.078 0.498 252 K N 3.666 123.700 120.400 -0.611 0.000 3.001 252 K HA 0.283 nan 4.320 nan 0.000 0.257 252 K C 0.014 176.278 176.600 -0.560 0.000 1.290 252 K CA -1.481 54.104 56.287 -1.170 0.000 1.252 252 K CB -0.713 30.849 32.500 -1.563 0.000 1.656 252 K HN 0.013 7.881 8.250 -0.421 0.131 0.351 253 M N -0.470 118.894 119.600 -0.393 0.000 2.722 253 M HA -0.128 nan 4.480 nan 0.000 0.238 253 M C -0.080 176.057 176.300 -0.272 0.000 1.098 253 M CA 1.388 56.511 55.300 -0.295 0.000 1.062 253 M CB -0.707 31.750 32.600 -0.237 0.000 1.573 253 M HN -0.600 7.405 8.290 -0.348 0.075 0.531 254 S N 1.685 117.168 115.700 -0.363 0.000 2.836 254 S HA 0.018 nan 4.470 nan 0.000 0.164 254 S C -0.627 173.940 174.600 -0.055 0.000 0.714 254 S CA 0.516 58.551 58.200 -0.273 0.000 0.906 254 S CB 1.131 63.934 63.200 -0.662 0.000 0.702 254 S HN -0.355 7.526 8.310 -0.533 0.109 0.571 255 S N -1.173 114.566 115.700 0.064 0.000 2.546 255 S HA 0.494 nan 4.470 nan 0.000 0.272 255 S C -2.710 172.076 174.600 0.311 0.000 1.140 255 S CA -3.397 54.966 58.200 0.273 0.000 0.920 255 S CB 1.968 65.395 63.200 0.379 0.000 1.083 255 S HN -0.239 8.068 8.310 -0.006 0.000 0.476 256 P HA 0.254 nan 4.420 nan 0.000 0.268 256 P C -1.597 175.818 177.300 0.191 0.000 1.329 256 P CA 0.362 63.570 63.100 0.181 0.000 0.899 256 P CB 0.570 32.356 31.700 0.144 0.000 1.378 257 Y N -3.531 116.855 120.300 0.144 0.000 2.590 257 Y HA 0.051 nan 4.550 nan 0.000 0.263 257 Y C -1.450 174.524 175.900 0.124 0.000 1.069 257 Y CA 0.743 58.913 58.100 0.117 0.000 1.242 257 Y CB 2.886 41.410 38.460 0.107 0.000 1.357 257 Y HN 0.138 8.525 8.280 0.386 0.124 0.556 258 I N -1.733 119.042 120.570 0.342 0.000 2.692 258 I HA 0.129 nan 4.170 nan 0.000 0.293 258 I C -2.203 174.077 176.117 0.272 0.000 1.200 258 I CA -0.887 60.564 61.300 0.252 0.000 1.036 258 I CB 3.764 41.979 38.000 0.358 0.000 1.258 258 I HN -0.988 7.385 8.210 0.382 0.067 0.421 259 K N 3.975 124.251 120.400 -0.206 0.000 2.126 259 K HA 0.431 nan 4.320 nan 0.000 0.245 259 K C -2.403 173.384 176.600 -1.354 0.000 1.068 259 K CA -2.386 53.680 56.287 -0.370 0.000 0.877 259 K CB 3.949 36.436 32.500 -0.022 0.000 1.406 259 K HN 0.201 8.279 8.250 -0.285 0.000 0.490 260 A N -4.750 117.662 122.820 -0.680 0.000 2.567 260 A HA -0.005 nan 4.320 nan 0.000 0.301 260 A C -2.557 174.962 177.584 -0.108 0.000 0.940 260 A CA 0.217 52.003 52.037 -0.418 0.000 0.637 260 A CB 1.278 19.963 19.000 -0.525 0.000 1.332 260 A HN 0.056 8.085 8.150 -0.202 0.000 0.427 261 T N 1.287 115.774 114.554 -0.112 0.000 2.890 261 T HA 0.302 nan 4.350 nan 0.000 0.295 261 T C -1.766 172.844 174.700 -0.152 0.000 0.993 261 T CA 0.085 62.117 62.100 -0.114 0.000 0.979 261 T CB 1.667 70.489 68.868 -0.076 0.000 0.967 261 T HN 0.117 8.287 8.240 -0.117 0.000 0.441 262 V N 7.237 127.015 119.914 -0.227 0.000 2.443 262 V HA 0.457 nan 4.120 nan 0.000 0.293 262 V C -0.067 175.636 176.094 -0.651 0.000 1.021 262 V CA -1.478 60.589 62.300 -0.388 0.000 0.848 262 V CB 3.409 35.006 31.823 -0.377 0.000 0.998 262 V HN 0.153 8.300 8.190 -0.200 -0.077 0.424 263 T N 8.442 122.706 114.554 -0.483 0.000 2.649 263 T HA 0.254 nan 4.350 nan 0.000 0.337 263 T C -0.386 173.905 174.700 -0.683 0.000 1.070 263 T CA 0.988 62.886 62.100 -0.336 0.000 1.052 263 T CB 0.522 69.261 68.868 -0.215 0.000 0.994 263 T HN 0.346 8.369 8.240 -0.361 0.000 0.544 264 F N -1.018 118.827 119.950 -0.175 0.000 2.651 264 F HA 0.194 nan 4.527 nan 0.000 0.329 264 F C -1.796 173.630 175.800 -0.622 0.000 1.186 264 F CA -0.265 57.569 58.000 -0.277 0.000 1.046 264 F CB 2.161 41.090 39.000 -0.119 0.000 1.296 264 F HN 0.341 8.774 8.300 0.222 0.000 0.497 265 L N -0.662 120.201 121.223 -0.600 0.000 2.409 265 L HA 0.262 nan 4.340 nan 0.000 0.307 265 L C -2.261 174.258 176.870 -0.586 0.000 0.653 265 L CA -0.356 53.866 54.840 -1.031 0.000 1.165 265 L CB 1.593 43.280 42.059 -0.620 0.000 1.695 265 L HN -0.102 7.893 8.230 -0.392 0.000 0.335 266 I N -0.500 119.781 120.570 -0.482 0.000 2.517 266 I HA 0.195 nan 4.170 nan 0.000 0.280 266 I C -0.875 174.960 176.117 -0.470 0.000 1.061 266 I CA -0.179 60.859 61.300 -0.436 0.000 1.091 266 I CB 2.852 40.422 38.000 -0.716 0.000 1.205 266 I HN -0.362 7.590 8.210 -0.430 0.000 0.459 267 A N 8.458 130.994 122.820 -0.474 0.000 2.611 267 A HA 0.520 nan 4.320 nan 0.000 0.208 267 A C -1.311 175.674 177.584 -0.998 0.000 1.958 267 A CA -0.068 51.522 52.037 -0.744 0.000 1.718 267 A CB 2.295 20.573 19.000 -1.203 0.000 1.357 267 A HN 0.015 8.026 8.150 -0.231 0.000 0.428 268 F N -1.479 118.192 119.950 -0.465 0.000 3.152 268 F HA 0.050 nan 4.527 nan 0.000 0.367 268 F C 0.270 175.334 175.800 -1.227 0.000 1.272 268 F CA -0.207 57.337 58.000 -0.760 0.000 1.172 268 F CB 3.352 42.127 39.000 -0.376 0.000 1.552 268 F HN -0.088 8.203 8.300 -0.016 0.000 0.616 269 G N 4.937 112.787 108.800 -1.584 0.000 3.084 269 G HA2 -0.192 nan 3.960 nan 0.000 0.254 269 G HA3 -0.192 nan 3.960 nan 0.000 0.254 269 G C -1.081 173.628 174.900 -0.318 0.000 0.834 269 G CA 0.567 44.998 45.100 -1.114 0.000 1.999 269 G HN 0.543 7.688 8.290 -1.908 0.000 0.611 270 N N -1.825 116.765 118.700 -0.183 0.000 2.073 270 N HA -0.057 nan 4.740 nan 0.000 0.227 270 N C -1.069 174.467 175.510 0.042 0.000 1.367 270 N CA -0.402 52.620 53.050 -0.048 0.000 0.775 270 N CB 2.004 40.430 38.487 -0.103 0.000 1.234 270 N HN 0.069 8.258 8.380 -0.194 0.074 0.512 271 L N 1.366 122.674 121.223 0.143 0.000 2.345 271 L HA 0.187 nan 4.340 nan 0.000 0.274 271 L C -1.290 175.753 176.870 0.287 0.000 0.999 271 L CA -0.530 54.442 54.840 0.221 0.000 0.849 271 L CB 0.786 43.010 42.059 0.275 0.000 1.220 271 L HN -0.816 7.506 8.230 0.154 0.000 0.422 272 S N 4.711 120.521 115.700 0.183 0.000 2.531 272 S HA 0.055 nan 4.470 nan 0.000 0.279 272 S C 1.152 175.864 174.600 0.185 0.000 1.305 272 S CA -0.557 57.758 58.200 0.191 0.000 1.058 272 S CB 0.951 64.222 63.200 0.119 0.000 0.899 272 S HN 0.318 8.707 8.310 0.132 0.000 0.493 273 D N 6.515 127.117 120.400 0.335 0.000 3.320 273 D HA -0.355 nan 4.640 nan 0.000 0.199 273 D C -0.288 176.199 176.300 0.311 0.000 1.162 273 D CA 2.272 56.575 54.000 0.504 0.000 0.971 273 D CB -1.407 39.572 40.800 0.298 0.000 0.851 273 D HN 0.523 9.089 8.370 0.326 0.000 0.495 274 A N -2.522 120.360 122.820 0.104 0.000 2.359 274 A HA -0.012 nan 4.320 nan 0.000 0.240 274 A C 0.251 177.791 177.584 -0.073 0.000 1.306 274 A CA -0.536 51.515 52.037 0.024 0.000 0.898 274 A CB -0.147 18.851 19.000 -0.004 0.000 0.956 274 A HN -0.310 7.803 8.150 0.098 0.096 0.497 275 F N 0.420 120.131 119.950 -0.398 0.000 2.657 275 F HA -0.246 nan 4.527 nan 0.000 0.347 275 F C 1.230 176.788 175.800 -0.403 0.000 1.180 275 F CA 0.180 57.899 58.000 -0.469 0.000 1.383 275 F CB 1.283 39.808 39.000 -0.792 0.000 1.077 275 F HN -0.622 7.430 8.300 -0.257 0.094 0.622 276 G N 3.612 111.694 108.800 -1.198 0.000 2.446 276 G HA2 -0.246 nan 3.960 nan 0.000 0.217 276 G HA3 -0.246 nan 3.960 nan 0.000 0.217 276 G C -1.148 173.235 174.900 -0.861 0.000 1.168 276 G CA 1.141 45.526 45.100 -1.192 0.000 0.771 276 G HN 0.492 7.551 8.290 -2.051 0.000 0.551 277 F N -4.147 115.864 119.950 0.102 0.000 3.094 277 F HA 0.256 nan 4.527 nan 0.000 0.385 277 F C -1.268 174.730 175.800 0.329 0.000 1.231 277 F CA -2.677 55.420 58.000 0.162 0.000 1.207 277 F CB 0.007 39.052 39.000 0.075 0.000 1.703 277 F HN -0.935 6.998 8.300 -0.611 0.000 0.610 278 Y N 3.744 124.186 120.300 0.237 0.000 2.333 278 Y HA -0.365 nan 4.550 nan 0.000 0.290 278 Y C 1.423 177.057 175.900 -0.443 0.000 1.144 278 Y CA 1.535 59.578 58.100 -0.094 0.000 1.228 278 Y CB 0.077 38.529 38.460 -0.014 0.000 0.985 278 Y HN 0.463 8.950 8.280 0.346 0.000 0.542 279 E N -1.107 119.069 120.200 -0.040 0.000 2.428 279 E HA -0.196 nan 4.350 nan 0.000 0.199 279 E C -0.457 175.955 176.600 -0.314 0.000 1.172 279 E CA 0.573 56.921 56.400 -0.086 0.000 0.941 279 E CB -1.961 27.800 29.700 0.102 0.000 1.001 279 E HN 0.575 8.936 8.360 0.066 0.039 0.501 280 S N 0.416 115.685 115.700 -0.719 0.000 2.667 280 S HA 0.026 nan 4.470 nan 0.000 0.251 280 S C -1.323 172.675 174.600 -1.003 0.000 1.075 280 S CA 0.131 57.846 58.200 -0.808 0.000 1.130 280 S CB -0.474 62.397 63.200 -0.547 0.000 0.795 280 S HN -0.039 7.534 8.310 -0.997 0.139 0.462 281 F N -1.308 118.426 119.950 -0.361 0.000 2.630 281 F HA 0.249 nan 4.527 nan 0.000 0.325 281 F C -2.150 173.322 175.800 -0.547 0.000 1.184 281 F CA -2.773 55.017 58.000 -0.350 0.000 1.011 281 F CB 0.225 39.070 39.000 -0.259 0.000 1.268 281 F HN -0.802 6.963 8.300 -0.773 0.071 0.480 282 P HA -0.336 nan 4.420 nan 0.000 0.045 282 P C -1.255 176.244 177.300 0.331 0.000 0.881 282 P CA 1.040 64.192 63.100 0.087 0.000 1.013 282 P CB -1.801 29.960 31.700 0.101 0.000 1.858 283 H N -2.680 116.443 119.070 0.088 0.000 3.084 283 H HA -0.391 nan 4.556 nan 0.000 0.341 283 H C -0.376 175.064 175.328 0.187 0.000 1.255 283 H CA 0.573 56.673 56.048 0.087 0.000 1.246 283 H CB -0.232 29.550 29.762 0.033 0.000 1.119 283 H HN 0.211 8.024 8.280 -0.598 0.108 0.637 284 R N -2.284 118.400 120.500 0.305 0.000 6.824 284 R HA 0.012 nan 4.340 nan 0.000 0.243 284 R C -2.647 173.882 176.300 0.382 0.000 0.881 284 R CA -0.057 56.228 56.100 0.309 0.000 1.705 284 R CB 1.079 31.714 30.300 0.559 0.000 1.161 284 R HN -0.028 8.387 8.270 0.242 0.000 0.845 285 I N 0.424 121.157 120.570 0.272 0.000 3.171 285 I HA 0.397 nan 4.170 nan 0.000 0.312 285 I C -2.087 174.204 176.117 0.290 0.000 1.402 285 I CA -2.015 59.553 61.300 0.446 0.000 0.926 285 I CB 3.027 41.046 38.000 0.031 0.000 1.320 285 I HN -0.352 7.934 8.210 0.126 0.000 0.522 286 V N 1.462 121.528 119.914 0.253 0.000 3.503 286 V HA 0.021 nan 4.120 nan 0.000 0.300 286 V C -0.787 175.241 176.094 -0.110 0.000 1.099 286 V CA 0.514 62.758 62.300 -0.094 0.000 1.117 286 V CB 0.385 32.026 31.823 -0.304 0.000 1.122 286 V HN 0.357 8.662 8.190 0.292 0.060 0.476 287 Q N -1.664 118.051 119.800 -0.142 0.000 2.739 287 Q HA -0.113 nan 4.340 nan 0.000 0.229 287 Q C -0.924 175.156 176.000 0.134 0.000 0.640 287 Q CA -0.207 55.598 55.803 0.003 0.000 0.755 287 Q CB 0.038 28.782 28.738 0.010 0.000 0.983 287 Q HN 0.113 8.198 8.270 -0.309 0.000 0.406 288 F N 0.300 120.366 119.950 0.193 0.000 2.724 288 F HA -0.162 nan 4.527 nan 0.000 0.313 288 F C -0.188 175.703 175.800 0.151 0.000 1.177 288 F CA 1.058 59.186 58.000 0.213 0.000 1.352 288 F CB 0.471 39.703 39.000 0.388 0.000 1.074 288 F HN -0.466 7.897 8.300 0.105 0.000 0.629 289 A N -0.500 122.528 122.820 0.346 0.000 2.606 289 A HA 0.280 nan 4.320 nan 0.000 0.293 289 A C -1.295 176.356 177.584 0.110 0.000 1.082 289 A CA -0.864 51.282 52.037 0.182 0.000 0.685 289 A CB 2.601 21.685 19.000 0.140 0.000 1.284 289 A HN -0.253 8.098 8.150 0.336 0.000 0.408 290 E N -0.226 120.025 120.200 0.085 0.000 2.118 290 E HA -0.350 nan 4.350 nan 0.000 0.195 290 E C 1.224 177.854 176.600 0.051 0.000 0.992 290 E CA 3.284 59.722 56.400 0.064 0.000 0.804 290 E CB -0.013 29.713 29.700 0.044 0.000 0.741 290 E HN 0.389 8.799 8.360 0.084 0.000 0.458 291 V N -6.427 113.518 119.914 0.053 0.000 2.398 291 V HA 0.078 nan 4.120 nan 0.000 0.236 291 V C 0.734 176.857 176.094 0.049 0.000 1.054 291 V CA 1.600 63.928 62.300 0.047 0.000 1.060 291 V CB -0.426 31.424 31.823 0.045 0.000 0.707 291 V HN -0.541 7.654 8.190 0.062 0.032 0.480 292 E N 1.078 121.323 120.200 0.075 0.000 2.418 292 E HA -0.076 nan 4.350 nan 0.000 0.261 292 E C -0.036 176.613 176.600 0.081 0.000 1.070 292 E CA 1.240 57.701 56.400 0.101 0.000 0.931 292 E CB 0.569 30.356 29.700 0.145 0.000 0.954 292 E HN 0.017 8.427 8.360 0.084 0.000 0.439 293 E N -1.526 118.727 120.200 0.088 0.000 2.094 293 E HA -0.035 nan 4.350 nan 0.000 0.254 293 E C -1.145 175.501 176.600 0.077 0.000 1.086 293 E CA 0.550 56.919 56.400 -0.052 0.000 1.741 293 E CB 0.203 29.798 29.700 -0.175 0.000 3.572 293 E HN 0.208 8.646 8.360 0.130 0.000 0.995 294 K N 0.679 121.137 120.400 0.095 0.000 2.350 294 K HA 0.124 nan 4.320 nan 0.000 0.279 294 K C -0.810 175.880 176.600 0.150 0.000 1.027 294 K CA 0.663 57.026 56.287 0.127 0.000 0.969 294 K CB 0.840 33.428 32.500 0.148 0.000 0.954 294 K HN -0.488 7.813 8.250 0.085 0.000 0.474 295 C N 4.518 123.901 119.300 0.140 0.000 3.241 295 C HA 0.459 nan 4.460 nan 0.000 0.312 295 C C -1.569 173.454 174.990 0.054 0.000 1.350 295 C CA -1.026 58.038 59.018 0.077 0.000 1.415 295 C CB 3.433 31.201 27.740 0.047 0.000 1.770 295 C HN 0.708 8.974 8.230 0.132 0.043 0.466 296 T N -3.062 111.496 114.554 0.006 0.000 2.511 296 T HA 0.575 nan 4.350 nan 0.000 0.209 296 T C -1.870 172.853 174.700 0.038 0.000 0.805 296 T CA -1.209 60.951 62.100 0.101 0.000 1.241 296 T CB 1.388 70.349 68.868 0.154 0.000 1.785 296 T HN -0.221 7.981 8.240 -0.064 0.000 0.492 297 L N -2.245 119.006 121.223 0.046 0.000 2.925 297 L HA 0.377 nan 4.340 nan 0.000 0.280 297 L C -1.578 174.988 176.870 -0.507 0.000 0.981 297 L CA -0.564 54.298 54.840 0.038 0.000 1.040 297 L CB 3.157 45.530 42.059 0.524 0.000 1.614 297 L HN -0.297 7.867 8.230 -0.110 0.000 0.353 298 V N -1.264 118.464 119.914 -0.310 0.000 3.625 298 V HA 0.029 nan 4.120 nan 0.000 0.234 298 V C -1.961 173.470 176.094 -1.105 0.000 1.619 298 V CA 0.365 62.344 62.300 -0.535 0.000 0.966 298 V CB 1.653 33.133 31.823 -0.572 0.000 1.056 298 V HN -0.082 8.114 8.190 0.011 0.000 0.505 299 F N 7.094 127.075 119.950 0.052 0.000 2.949 299 F HA 0.414 nan 4.527 nan 0.000 0.376 299 F C -1.708 174.136 175.800 0.072 0.000 1.205 299 F CA -0.852 57.130 58.000 -0.030 0.000 1.155 299 F CB 2.382 41.328 39.000 -0.089 0.000 1.495 299 F HN -0.336 8.176 8.300 0.043 -0.186 0.551 300 S N 2.297 118.049 115.700 0.086 0.000 2.389 300 S HA -0.016 nan 4.470 nan 0.000 0.230 300 S C 0.303 175.093 174.600 0.317 0.000 1.197 300 S CA -1.195 57.136 58.200 0.218 0.000 1.092 300 S CB 1.380 64.636 63.200 0.093 0.000 1.050 300 S HN 0.014 8.283 8.310 -0.068 0.000 0.466 301 Q N -2.470 117.446 119.800 0.192 0.000 2.317 301 Q HA 0.196 nan 4.340 nan 0.000 0.220 301 Q C 0.005 176.072 176.000 0.110 0.000 0.873 301 Q CA 1.273 57.184 55.803 0.179 0.000 0.936 301 Q CB 0.586 29.402 28.738 0.131 0.000 1.105 301 Q HN 0.268 8.618 8.270 0.133 0.000 0.520 302 Q N -1.906 117.934 119.800 0.066 0.000 2.124 302 Q HA -0.189 nan 4.340 nan 0.000 0.202 302 Q C 0.667 176.695 176.000 0.045 0.000 0.977 302 Q CA 1.242 57.070 55.803 0.040 0.000 0.850 302 Q CB -0.455 28.293 28.738 0.015 0.000 0.901 302 Q HN -0.040 8.266 8.270 0.061 0.000 0.429 303 E N -1.475 118.747 120.200 0.038 0.000 4.517 303 E HA -0.075 nan 4.350 nan 0.000 0.408 303 E C -0.828 175.850 176.600 0.131 0.000 1.456 303 E CA -1.284 55.104 56.400 -0.019 0.000 2.449 303 E CB 0.888 30.480 29.700 -0.181 0.000 1.556 303 E HN -0.456 7.926 8.360 0.043 0.004 0.781 304 F N -3.958 115.972 119.950 -0.033 0.000 2.477 304 F HA -0.096 nan 4.527 nan 0.000 0.392 304 F C -1.060 174.754 175.800 0.023 0.000 1.028 304 F CA 0.139 58.115 58.000 -0.040 0.000 1.069 304 F CB -0.365 38.545 39.000 -0.149 0.000 0.970 304 F HN -0.291 7.829 8.300 -0.301 0.000 0.540 305 V N 5.024 125.082 119.914 0.239 0.000 2.894 305 V HA 0.229 nan 4.120 nan 0.000 0.373 305 V C -2.046 174.100 176.094 0.086 0.000 1.286 305 V CA -0.930 61.454 62.300 0.140 0.000 1.331 305 V CB -0.375 31.508 31.823 0.101 0.000 1.415 305 V HN -0.275 8.039 8.190 0.206 0.000 0.585 306 T N -2.263 112.355 114.554 0.105 0.000 3.435 306 T HA 0.216 nan 4.350 nan 0.000 0.344 306 T C -0.923 173.847 174.700 0.117 0.000 1.211 306 T CA -1.699 60.439 62.100 0.062 0.000 1.104 306 T CB 1.257 70.158 68.868 0.055 0.000 1.196 306 T HN -0.608 7.607 8.240 0.149 0.115 0.471 307 A N 4.256 127.042 122.820 -0.057 0.000 2.587 307 A HA 0.027 nan 4.320 nan 0.000 0.235 307 A C -1.140 176.484 177.584 0.067 0.000 1.044 307 A CA 0.726 52.651 52.037 -0.187 0.000 0.754 307 A CB 0.411 19.078 19.000 -0.555 0.000 0.968 307 A HN 0.373 8.439 8.150 -0.139 0.000 0.509 308 W N 0.274 121.530 121.300 -0.074 0.000 3.127 308 W HA 0.352 nan 4.660 nan 0.000 0.330 308 W C -2.064 174.601 176.519 0.242 0.000 1.187 308 W CA -2.779 54.615 57.345 0.081 0.000 1.198 308 W CB 1.685 31.157 29.460 0.019 0.000 1.408 308 W HN -0.380 7.326 8.180 -0.790 0.000 0.529 309 S N 2.090 117.926 115.700 0.225 0.000 2.416 309 S HA 0.036 nan 4.470 nan 0.000 0.302 309 S C 0.211 174.901 174.600 0.150 0.000 1.120 309 S CA 0.111 58.379 58.200 0.113 0.000 1.067 309 S CB 0.054 63.310 63.200 0.094 0.000 1.057 309 S HN 0.283 8.827 8.310 0.390 0.000 0.518 310 T N 8.935 123.578 114.554 0.147 0.000 4.280 310 T HA -0.123 nan 4.350 nan 0.000 0.245 310 T C -1.718 173.022 174.700 0.065 0.000 1.100 310 T CA 1.286 63.517 62.100 0.218 0.000 1.137 310 T CB -1.985 67.083 68.868 0.334 0.000 1.296 310 T HN 0.584 8.830 8.240 0.115 0.063 0.998 311 Q N 1.718 121.553 119.800 0.057 0.000 3.116 311 Q HA 0.074 nan 4.340 nan 0.000 0.332 311 Q C -3.201 172.809 176.000 0.017 0.000 0.847 311 Q CA -0.124 55.675 55.803 -0.007 0.000 0.888 311 Q CB 1.154 29.857 28.738 -0.059 0.000 1.484 311 Q HN -0.053 8.271 8.270 0.113 0.015 0.499 312 V N -1.857 118.047 119.914 -0.017 0.000 3.143 312 V HA 0.232 nan 4.120 nan 0.000 0.264 312 V C -2.935 173.134 176.094 -0.041 0.000 1.874 312 V CA 0.124 62.420 62.300 -0.007 0.000 0.968 312 V CB 4.334 36.163 31.823 0.010 0.000 1.351 312 V HN 0.212 8.375 8.190 -0.044 0.000 0.459 313 N N 1.394 120.076 118.700 -0.030 0.000 2.352 313 N HA 0.540 nan 4.740 nan 0.000 0.291 313 N C -2.954 172.537 175.510 -0.032 0.000 1.040 313 N CA -2.146 50.880 53.050 -0.041 0.000 0.864 313 N CB 2.684 41.156 38.487 -0.024 0.000 1.440 313 N HN 0.038 8.412 8.380 -0.010 0.000 0.483 314 P HA -0.120 nan 4.420 nan 0.000 0.238 314 P C -1.181 176.117 177.300 -0.003 0.000 1.434 314 P CA 0.842 63.926 63.100 -0.025 0.000 1.292 314 P CB -0.633 31.053 31.700 -0.024 0.000 1.804 315 R N -1.856 118.645 120.500 0.003 0.000 2.207 315 R HA -0.066 nan 4.340 nan 0.000 0.122 315 R C -1.519 174.789 176.300 0.013 0.000 0.634 315 R CA -0.033 56.073 56.100 0.010 0.000 0.692 315 R CB -0.312 29.994 30.300 0.008 0.000 1.218 315 R HN 0.208 8.453 8.270 0.001 0.025 0.451 316 T N -0.175 114.390 114.554 0.018 0.000 2.925 316 T HA 0.463 nan 4.350 nan 0.000 0.285 316 T C -0.975 173.747 174.700 0.036 0.000 1.021 316 T CA -0.537 61.580 62.100 0.029 0.000 1.042 316 T CB 1.402 70.294 68.868 0.039 0.000 1.037 316 T HN -0.518 7.731 8.240 0.016 0.000 0.481 317 T N 3.648 118.225 114.554 0.039 0.000 2.926 317 T HA 0.415 nan 4.350 nan 0.000 0.289 317 T C -1.820 172.904 174.700 0.041 0.000 1.054 317 T CA -1.609 60.513 62.100 0.037 0.000 1.015 317 T CB 2.002 70.885 68.868 0.025 0.000 1.167 317 T HN 0.274 8.538 8.240 0.040 0.000 0.526 318 L N -0.627 120.618 121.223 0.037 0.000 2.269 318 L HA 0.382 nan 4.340 nan 0.000 0.200 318 L C 0.684 177.558 176.870 0.008 0.000 1.069 318 L CA 1.824 56.683 54.840 0.031 0.000 0.804 318 L CB 1.209 43.297 42.059 0.048 0.000 0.987 318 L HN 0.229 8.481 8.230 0.037 0.000 0.468 319 E N 0.061 120.267 120.200 0.011 0.000 2.351 319 E HA -0.034 nan 4.350 nan 0.000 0.236 319 E C -1.528 175.068 176.600 -0.006 0.000 1.341 319 E CA -1.088 55.312 56.400 0.000 0.000 1.579 319 E CB -1.170 28.534 29.700 0.007 0.000 1.393 319 E HN -0.426 7.945 8.360 0.018 0.000 0.438 320 A N -1.198 121.615 122.820 -0.011 0.000 1.819 320 A HA -0.077 nan 4.320 nan 0.000 0.235 320 A C -1.867 175.715 177.584 -0.004 0.000 2.731 320 A CA 0.128 52.158 52.037 -0.012 0.000 2.132 320 A CB 0.485 19.485 19.000 -0.001 0.000 0.337 320 A HN -0.343 7.638 8.150 -0.013 0.161 0.964 321 D N 1.206 121.593 120.400 -0.022 0.000 2.427 321 D HA 0.092 nan 4.640 nan 0.000 0.226 321 D C -0.372 175.914 176.300 -0.024 0.000 1.076 321 D CA -0.276 53.719 54.000 -0.008 0.000 0.849 321 D CB 1.565 42.350 40.800 -0.024 0.000 1.052 321 D HN -0.383 7.959 8.370 -0.048 0.000 0.515 322 G N 1.681 110.499 108.800 0.031 0.000 2.476 322 G HA2 -0.087 nan 3.960 nan 0.000 0.269 322 G HA3 -0.087 nan 3.960 nan 0.000 0.269 322 G C -1.194 173.770 174.900 0.106 0.000 1.195 322 G CA -0.411 44.719 45.100 0.052 0.000 0.843 322 G HN 0.110 8.435 8.290 0.058 0.000 0.545 323 C N 0.065 119.460 119.300 0.158 0.000 0.168 323 C HA -0.193 nan 4.460 nan 0.000 0.017 323 C C -2.238 172.809 174.990 0.095 0.000 0.171 323 C CA -1.130 58.028 59.018 0.232 0.000 0.499 323 C CB -0.016 27.904 27.740 0.300 0.000 3.212 323 C HN 0.214 8.519 8.230 0.125 0.000 1.118 324 P HA 0.466 nan 4.420 nan 0.000 0.296 324 P C -2.189 174.896 177.300 -0.357 0.000 1.310 324 P CA -0.547 62.182 63.100 -0.618 0.000 0.900 324 P CB 1.014 32.233 31.700 -0.802 0.000 1.111 325 Y N -4.115 116.026 120.300 -0.265 0.000 2.982 325 Y HA 0.379 nan 4.550 nan 0.000 0.312 325 Y C -2.567 173.260 175.900 -0.123 0.000 1.601 325 Y CA -2.647 55.352 58.100 -0.167 0.000 1.092 325 Y CB 1.202 39.576 38.460 -0.143 0.000 1.918 325 Y HN -0.118 7.863 8.280 -0.497 0.000 0.425 326 L N 2.429 123.784 121.223 0.219 0.000 2.264 326 L HA 0.329 nan 4.340 nan 0.000 0.287 326 L C -1.812 175.121 176.870 0.104 0.000 1.039 326 L CA -1.108 53.746 54.840 0.022 0.000 0.829 326 L CB 1.157 43.085 42.059 -0.219 0.000 1.211 326 L HN -0.244 8.051 8.230 0.109 0.000 0.427 327 Y N 1.850 122.132 120.300 -0.030 0.000 2.488 327 Y HA 0.170 nan 4.550 nan 0.000 0.330 327 Y C -2.013 173.785 175.900 -0.171 0.000 1.013 327 Y CA -3.308 54.772 58.100 -0.033 0.000 1.304 327 Y CB -0.351 38.291 38.460 0.303 0.000 1.098 327 Y HN -0.562 7.939 8.280 0.368 0.000 0.498 328 A N 4.944 127.588 122.820 -0.293 0.000 2.346 328 A HA 0.096 nan 4.320 nan 0.000 0.252 328 A C -2.353 174.928 177.584 -0.506 0.000 1.089 328 A CA -0.376 51.401 52.037 -0.434 0.000 0.797 328 A CB 1.500 20.241 19.000 -0.432 0.000 1.047 328 A HN -0.460 7.579 8.150 -0.185 0.000 0.494 329 I N -1.968 118.298 120.570 -0.508 0.000 2.569 329 I HA 0.359 nan 4.170 nan 0.000 0.290 329 I C -0.496 175.468 176.117 -0.255 0.000 1.088 329 I CA -1.981 59.050 61.300 -0.450 0.000 1.047 329 I CB 3.335 41.004 38.000 -0.552 0.000 1.237 329 I HN -0.202 7.724 8.210 -0.473 0.000 0.421 330 I N 4.491 124.933 120.570 -0.214 0.000 2.090 330 I HA -0.226 nan 4.170 nan 0.000 0.160 330 I C -0.679 175.474 176.117 0.061 0.000 1.436 330 I CA 1.318 62.521 61.300 -0.161 0.000 0.540 330 I CB 0.376 38.249 38.000 -0.212 0.000 1.912 330 I HN -0.235 7.834 8.210 -0.234 0.000 1.138 331 H N -3.028 115.948 119.070 -0.156 0.000 3.582 331 H HA 0.060 nan 4.556 nan 0.000 0.110 331 H C -0.876 174.396 175.328 -0.093 0.000 1.280 331 H CA 0.539 56.525 56.048 -0.103 0.000 1.036 331 H CB 2.016 31.725 29.762 -0.088 0.000 0.848 331 H HN 0.076 8.341 8.280 -0.025 0.000 0.182 332 D N 1.386 121.811 120.400 0.042 0.000 2.368 332 D HA 0.124 nan 4.640 nan 0.000 0.240 332 D C -0.269 175.982 176.300 -0.081 0.000 1.169 332 D CA 0.385 54.368 54.000 -0.028 0.000 0.906 332 D CB 0.665 41.444 40.800 -0.034 0.000 1.187 332 D HN -0.192 8.236 8.370 0.097 0.000 0.435 333 S N 1.385 117.042 115.700 -0.073 0.000 2.700 333 S HA -0.024 nan 4.470 nan 0.000 0.321 333 S C 0.059 174.600 174.600 -0.098 0.000 1.161 333 S CA 0.048 58.202 58.200 -0.078 0.000 1.078 333 S CB 0.001 63.169 63.200 -0.052 0.000 1.302 333 S HN 0.119 8.396 8.310 -0.055 0.000 0.540 334 T N 7.086 121.559 114.554 -0.135 0.000 2.902 334 T HA -0.291 nan 4.350 nan 0.000 0.317 334 T C -0.373 174.259 174.700 -0.114 0.000 1.064 334 T CA 1.290 63.285 62.100 -0.176 0.000 1.130 334 T CB -0.040 68.731 68.868 -0.162 0.000 1.073 334 T HN 0.044 8.200 8.240 -0.139 0.000 0.524 335 T N 0.789 115.268 114.554 -0.125 0.000 2.647 335 T HA 0.362 nan 4.350 nan 0.000 0.295 335 T C -1.227 173.489 174.700 0.027 0.000 1.126 335 T CA -0.810 61.269 62.100 -0.035 0.000 1.040 335 T CB 2.772 71.631 68.868 -0.015 0.000 1.472 335 T HN 0.077 8.183 8.240 -0.223 0.000 0.500 336 G N -1.428 107.415 108.800 0.072 0.000 4.242 336 G HA2 -0.036 nan 3.960 nan 0.000 0.159 336 G HA3 -0.036 nan 3.960 nan 0.000 0.159 336 G C -0.901 174.083 174.900 0.141 0.000 0.921 336 G CA 0.885 46.056 45.100 0.119 0.000 0.910 336 G HN -0.067 8.261 8.290 0.064 0.000 0.419 337 T N 0.137 114.752 114.554 0.102 0.000 5.221 337 T HA -0.240 nan 4.350 nan 0.000 0.299 337 T C -0.769 173.975 174.700 0.072 0.000 1.489 337 T CA 1.662 63.822 62.100 0.100 0.000 2.593 337 T CB -1.056 67.903 68.868 0.153 0.000 1.859 337 T HN 0.162 8.447 8.240 0.076 0.000 0.982 338 I N -2.459 118.137 120.570 0.044 0.000 2.164 338 I HA 0.198 nan 4.170 nan 0.000 0.197 338 I C -1.204 174.918 176.117 0.009 0.000 0.374 338 I CA -0.014 61.289 61.300 0.004 0.000 3.258 338 I CB 2.593 40.556 38.000 -0.062 0.000 1.510 338 I HN -0.130 8.078 8.210 0.050 0.032 0.537 339 S N 1.405 117.106 115.700 0.001 0.000 2.317 339 S HA 0.280 nan 4.470 nan 0.000 0.144 339 S C -1.235 173.381 174.600 0.027 0.000 1.660 339 S CA -0.297 57.911 58.200 0.012 0.000 1.273 339 S CB 0.613 63.812 63.200 -0.001 0.000 1.330 339 S HN 0.185 8.487 8.310 -0.013 0.000 0.395 340 G N -0.265 108.568 108.800 0.055 0.000 3.209 340 G HA2 0.295 nan 3.960 nan 0.000 0.236 340 G HA3 0.295 nan 3.960 nan 0.000 0.236 340 G C -2.939 172.036 174.900 0.126 0.000 1.329 340 G CA -0.990 44.165 45.100 0.091 0.000 1.015 340 G HN -0.733 7.787 8.290 0.055 -0.196 0.571 341 D N -2.198 118.316 120.400 0.190 0.000 2.625 341 D HA -0.026 nan 4.640 nan 0.000 0.203 341 D C -1.981 174.535 176.300 0.360 0.000 1.230 341 D CA -0.303 53.841 54.000 0.240 0.000 0.784 341 D CB 1.862 42.761 40.800 0.166 0.000 1.936 341 D HN -0.264 8.237 8.370 0.218 0.000 0.522 342 F N 0.820 120.920 119.950 0.249 0.000 2.331 342 F HA 0.104 nan 4.527 nan 0.000 0.293 342 F C -0.774 175.131 175.800 0.174 0.000 1.277 342 F CA 0.127 58.322 58.000 0.325 0.000 1.204 342 F CB 2.038 41.341 39.000 0.506 0.000 1.374 342 F HN 0.264 8.866 8.300 0.576 0.044 0.520 343 N N -1.934 116.674 118.700 -0.154 0.000 3.179 343 N HA 0.132 nan 4.740 nan 0.000 0.250 343 N C -1.995 173.334 175.510 -0.303 0.000 1.507 343 N CA -0.296 52.478 53.050 -0.459 0.000 0.883 343 N CB 3.451 41.744 38.487 -0.322 0.000 1.435 343 N HN -0.345 7.691 8.380 -0.573 0.000 0.532 344 L N -0.970 120.093 121.223 -0.268 0.000 2.847 344 L HA 0.146 nan 4.340 nan 0.000 0.261 344 L C -1.470 175.362 176.870 -0.063 0.000 0.926 344 L CA 0.573 55.408 54.840 -0.010 0.000 1.010 344 L CB 3.373 45.509 42.059 0.128 0.000 1.538 344 L HN 0.081 8.197 8.230 -0.328 -0.083 0.465 345 G N 4.368 113.167 108.800 -0.002 0.000 2.651 345 G HA2 0.214 nan 3.960 nan 0.000 0.260 345 G HA3 0.214 nan 3.960 nan 0.000 0.260 345 G C -2.030 172.802 174.900 -0.113 0.000 1.216 345 G CA -0.414 44.626 45.100 -0.100 0.000 0.913 345 G HN -0.053 8.289 8.290 0.087 0.000 0.535 346 V N -2.904 116.859 119.914 -0.251 0.000 2.882 346 V HA 0.152 nan 4.120 nan 0.000 0.295 346 V C -1.982 173.989 176.094 -0.205 0.000 1.273 346 V CA -0.621 61.545 62.300 -0.223 0.000 0.949 346 V CB 3.568 35.135 31.823 -0.428 0.000 1.071 346 V HN 0.078 8.041 8.190 -0.378 0.000 0.432 347 K N 4.637 125.126 120.400 0.149 0.000 2.597 347 K HA 0.647 nan 4.320 nan 0.000 0.282 347 K C -1.965 174.660 176.600 0.041 0.000 0.975 347 K CA -0.761 55.569 56.287 0.072 0.000 0.867 347 K CB 3.785 36.278 32.500 -0.012 0.000 1.465 347 K HN -0.028 8.532 8.250 0.424 -0.055 0.417 348 L N 4.501 125.664 121.223 -0.099 0.000 2.495 348 L HA 0.374 nan 4.340 nan 0.000 0.248 348 L C -0.771 175.944 176.870 -0.260 0.000 1.229 348 L CA -1.374 53.298 54.840 -0.280 0.000 0.942 348 L CB -0.086 41.827 42.059 -0.244 0.000 1.242 348 L HN 0.750 8.861 8.230 -0.062 0.082 0.484 349 V N 3.288 123.035 119.914 -0.278 0.000 2.239 349 V HA -0.190 nan 4.120 nan 0.000 0.236 349 V C -0.520 175.254 176.094 -0.533 0.000 1.040 349 V CA 3.410 65.574 62.300 -0.225 0.000 0.996 349 V CB 0.444 32.240 31.823 -0.045 0.000 0.640 349 V HN -0.144 7.867 8.190 -0.297 0.000 0.456 350 G N -4.675 103.535 108.800 -0.983 0.000 2.683 350 G HA2 0.217 nan 3.960 nan 0.000 0.299 350 G HA3 0.217 nan 3.960 nan 0.000 0.299 350 G C -1.764 172.592 174.900 -0.907 0.000 1.432 350 G CA -1.694 42.334 45.100 -1.786 0.000 0.978 350 G HN -0.341 7.498 8.290 -0.753 0.000 0.513 351 I N 0.380 120.674 120.570 -0.460 0.000 2.916 351 I HA -0.109 nan 4.170 nan 0.000 0.190 351 I C -0.625 175.545 176.117 0.088 0.000 1.359 351 I CA 0.339 61.601 61.300 -0.063 0.000 0.727 351 I CB 1.132 39.238 38.000 0.175 0.000 1.767 351 I HN 0.098 8.096 8.210 -0.444 -0.055 1.029 352 K N 2.174 122.664 120.400 0.149 0.000 2.646 352 K HA 0.157 nan 4.320 nan 0.000 0.210 352 K C -2.035 174.646 176.600 0.134 0.000 1.020 352 K CA -1.098 55.279 56.287 0.150 0.000 1.040 352 K CB 0.054 32.631 32.500 0.128 0.000 1.253 352 K HN -0.282 8.005 8.250 0.167 0.063 0.532 353 D N 1.825 122.293 120.400 0.113 0.000 4.028 353 D HA -0.444 nan 4.640 nan 0.000 0.233 353 D C -1.206 175.139 176.300 0.076 0.000 1.080 353 D CA 1.614 55.636 54.000 0.036 0.000 1.181 353 D CB -1.283 39.531 40.800 0.025 0.000 0.815 353 D HN 0.236 8.771 8.370 0.133 -0.085 0.401 354 F N -1.872 118.076 119.950 -0.004 0.000 2.411 354 F HA 0.414 nan 4.527 nan 0.000 0.355 354 F C -0.504 175.182 175.800 -0.189 0.000 1.117 354 F CA -3.282 54.685 58.000 -0.056 0.000 1.139 354 F CB 0.934 39.949 39.000 0.024 0.000 1.120 354 F HN 0.288 8.510 8.300 -0.052 0.047 0.493 355 C N 7.601 126.891 119.300 -0.016 0.000 2.252 355 C HA 0.327 nan 4.460 nan 0.000 0.342 355 C C -0.690 174.033 174.990 -0.445 0.000 1.110 355 C CA -0.975 57.923 59.018 -0.199 0.000 1.581 355 C CB -1.820 25.794 27.740 -0.210 0.000 2.087 355 C HN 0.468 8.599 8.230 -0.019 0.087 0.500 356 G N 7.140 115.590 108.800 -0.584 0.000 2.432 356 G HA2 0.763 nan 3.960 nan 0.000 0.331 356 G HA3 0.763 nan 3.960 nan 0.000 0.331 356 G C -2.544 172.112 174.900 -0.408 0.000 1.170 356 G CA -1.284 43.056 45.100 -1.267 0.000 0.943 356 G HN -0.356 7.714 8.290 -0.355 0.007 0.483 357 I N -3.840 116.644 120.570 -0.145 0.000 2.959 357 I HA 0.254 nan 4.170 nan 0.000 0.309 357 I C -0.717 175.522 176.117 0.203 0.000 1.604 357 I CA -1.163 60.191 61.300 0.089 0.000 0.932 357 I CB 2.442 40.452 38.000 0.016 0.000 1.334 357 I HN 0.061 8.116 8.210 -0.258 0.000 0.590 358 G N -1.318 107.581 108.800 0.165 0.000 2.752 358 G HA2 -0.354 nan 3.960 nan 0.000 0.234 358 G HA3 -0.354 nan 3.960 nan 0.000 0.234 358 G C -1.878 173.119 174.900 0.163 0.000 1.367 358 G CA 0.309 45.500 45.100 0.153 0.000 0.879 358 G HN -0.130 8.240 8.290 0.132 0.000 0.563 359 S N -0.512 115.237 115.700 0.083 0.000 2.656 359 S HA 0.315 nan 4.470 nan 0.000 0.273 359 S C -2.173 172.412 174.600 -0.025 0.000 1.168 359 S CA -0.892 57.335 58.200 0.045 0.000 0.817 359 S CB 2.034 65.254 63.200 0.035 0.000 1.146 359 S HN -0.040 8.298 8.310 0.046 0.000 0.475 360 N N 0.997 119.668 118.700 -0.047 0.000 2.576 360 N HA 0.433 nan 4.740 nan 0.000 0.269 360 N C -1.127 174.351 175.510 -0.052 0.000 1.058 360 N CA -1.769 51.239 53.050 -0.070 0.000 0.860 360 N CB 0.955 39.384 38.487 -0.097 0.000 1.249 360 N HN -0.009 8.342 8.380 -0.047 0.000 0.525 361 P HA -0.102 nan 4.420 nan 0.000 0.222 361 P C -0.902 176.379 177.300 -0.032 0.000 1.142 361 P CA 0.387 63.471 63.100 -0.027 0.000 0.788 361 P CB 0.313 32.002 31.700 -0.019 0.000 0.767 362 G N -4.028 104.747 108.800 -0.042 0.000 2.453 362 G HA2 -0.186 nan 3.960 nan 0.000 0.665 362 G HA3 -0.186 nan 3.960 nan 0.000 0.665 362 G C -1.812 173.063 174.900 -0.042 0.000 1.411 362 G CA -0.442 44.633 45.100 -0.042 0.000 0.889 362 G HN -0.693 7.712 8.290 -0.049 -0.144 0.651 363 I N 0.606 121.146 120.570 -0.051 0.000 3.200 363 I HA 0.471 nan 4.170 nan 0.000 0.245 363 I C -1.256 174.813 176.117 -0.080 0.000 0.642 363 I CA -0.206 61.060 61.300 -0.056 0.000 2.646 363 I CB 1.886 39.849 38.000 -0.062 0.000 1.288 363 I HN -0.125 8.051 8.210 -0.056 0.000 0.463 364 D N -0.388 119.934 120.400 -0.129 0.000 5.610 364 D HA -0.084 nan 4.640 nan 0.000 0.363 364 D C -1.438 174.677 176.300 -0.308 0.000 1.881 364 D CA 0.498 54.362 54.000 -0.226 0.000 1.105 364 D CB 0.463 41.121 40.800 -0.237 0.000 1.467 364 D HN 0.261 8.556 8.370 -0.125 0.000 0.695 365 G N 1.379 109.870 108.800 -0.515 0.000 2.353 365 G HA2 -0.313 nan 3.960 nan 0.000 0.294 365 G HA3 -0.313 nan 3.960 nan 0.000 0.294 365 G C 0.240 174.853 174.900 -0.479 0.000 1.077 365 G CA 0.268 45.090 45.100 -0.464 0.000 1.098 365 G HN 0.036 7.971 8.290 -0.593 0.000 0.511 366 S N 1.943 117.124 115.700 -0.867 0.000 3.007 366 S HA -0.402 nan 4.470 nan 0.000 0.312 366 S C 0.386 174.908 174.600 -0.130 0.000 1.068 366 S CA 0.951 58.898 58.200 -0.421 0.000 1.597 366 S CB -0.608 62.402 63.200 -0.318 0.000 1.495 366 S HN -0.182 7.311 8.310 -1.743 -0.229 0.612 367 R N 4.935 125.383 120.500 -0.086 0.000 2.543 367 R HA -0.322 nan 4.340 nan 0.000 0.280 367 R C -0.349 175.966 176.300 0.026 0.000 0.885 367 R CA 0.526 56.614 56.100 -0.020 0.000 1.130 367 R CB 0.490 30.784 30.300 -0.011 0.000 0.871 367 R HN -0.460 7.715 8.270 -0.118 0.024 0.424 368 L N 7.063 128.308 121.223 0.037 0.000 2.843 368 L HA -0.163 nan 4.340 nan 0.000 0.296 368 L C -0.950 175.945 176.870 0.041 0.000 1.228 368 L CA 0.831 55.705 54.840 0.058 0.000 1.188 368 L CB -1.107 40.980 42.059 0.047 0.000 1.475 368 L HN 0.272 8.519 8.230 0.028 0.000 0.433 369 L N 0.000 121.264 121.223 0.068 0.000 2.949 369 L HA 0.000 nan 4.340 nan 0.000 0.249 369 L CA 0.000 54.874 54.840 0.056 0.000 0.813 369 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 369 L HN 0.000 8.290 8.230 0.101 0.000 0.502