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 2ggg_1_A DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TICGALCLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.503 176.300 0.339 0.000 0.893 6 R CA 0.000 56.233 56.100 0.222 0.000 0.921 6 R CB 0.000 30.379 30.300 0.131 0.000 0.687 7 M N 0.937 120.671 119.600 0.224 0.000 2.131 7 M HA 0.312 4.793 4.480 0.001 0.000 0.283 7 M C -0.280 176.213 176.300 0.322 0.000 1.225 7 M CA 0.352 55.767 55.300 0.193 0.000 1.153 7 M CB -0.102 32.500 32.600 0.003 0.000 1.380 7 M HN 0.531 nan 8.290 nan 0.000 0.458 8 F N -1.229 118.795 119.950 0.124 0.000 2.581 8 F HA 0.587 5.115 4.527 0.001 0.000 0.311 8 F C -0.922 174.966 175.800 0.146 0.000 1.113 8 F CA -1.214 56.875 58.000 0.149 0.000 0.935 8 F CB 1.046 40.170 39.000 0.207 0.000 1.232 8 F HN 0.301 nan 8.300 nan 0.000 0.445 9 K N 4.861 125.407 120.400 0.243 0.000 2.234 9 K HA 0.468 4.788 4.320 0.001 0.000 0.277 9 K C -0.837 175.925 176.600 0.271 0.000 1.038 9 K CA -0.525 55.848 56.287 0.145 0.000 0.888 9 K CB 1.169 33.720 32.500 0.085 0.000 1.091 9 K HN 0.877 nan 8.250 nan 0.000 0.467 10 I N 4.741 125.492 120.570 0.302 0.000 2.347 10 I HA 0.002 4.173 4.170 0.001 0.000 0.294 10 I C 1.206 177.444 176.117 0.202 0.000 1.090 10 I CA 0.159 61.636 61.300 0.294 0.000 1.314 10 I CB 0.742 38.934 38.000 0.320 0.000 1.423 10 I HN 0.650 nan 8.210 nan 0.000 0.503 11 E N 4.476 124.788 120.200 0.187 0.000 2.140 11 E HA 0.207 4.557 4.350 0.001 0.000 0.191 11 E C 0.444 177.127 176.600 0.139 0.000 0.973 11 E CA 0.352 56.836 56.400 0.140 0.000 0.829 11 E CB 0.381 30.154 29.700 0.123 0.000 0.781 11 E HN 0.755 nan 8.360 nan 0.000 0.466 12 A N 0.067 122.999 122.820 0.187 0.000 2.609 12 A HA 0.809 5.130 4.320 0.001 0.000 0.291 12 A C -1.684 176.064 177.584 0.275 0.000 1.096 12 A CA -0.262 51.892 52.037 0.195 0.000 0.684 12 A CB 1.786 20.853 19.000 0.112 0.000 1.282 12 A HN 0.071 nan 8.150 nan 0.000 0.412 13 A N 0.636 123.612 122.820 0.261 0.000 2.459 13 A HA 0.721 5.042 4.320 0.001 0.000 0.296 13 A C -1.045 176.691 177.584 0.253 0.000 1.039 13 A CA -0.379 51.803 52.037 0.242 0.000 0.698 13 A CB 1.068 20.171 19.000 0.171 0.000 1.261 13 A HN 0.727 nan 8.150 nan 0.000 0.405 14 E N 1.633 121.962 120.200 0.214 0.000 2.183 14 E HA 0.567 4.917 4.350 0.001 0.000 0.271 14 E C -1.045 175.632 176.600 0.128 0.000 0.919 14 E CA -0.491 56.010 56.400 0.168 0.000 0.781 14 E CB 2.294 32.091 29.700 0.161 0.000 1.140 14 E HN 0.594 nan 8.360 nan 0.000 0.402 15 I N 2.720 123.364 120.570 0.124 0.000 2.354 15 I HA 0.302 4.473 4.170 0.001 0.000 0.292 15 I C -0.668 175.479 176.117 0.049 0.000 0.989 15 I CA -0.969 60.382 61.300 0.085 0.000 1.188 15 I CB 1.345 39.406 38.000 0.101 0.000 1.342 15 I HN 0.171 nan 8.210 nan 0.000 0.457 16 V N 7.141 127.072 119.914 0.028 0.000 2.487 16 V HA 0.372 4.492 4.120 0.001 0.000 0.298 16 V C -0.101 175.989 176.094 -0.006 0.000 1.028 16 V CA -0.707 61.596 62.300 0.005 0.000 0.860 16 V CB 2.236 34.057 31.823 -0.004 0.000 0.991 16 V HN 0.396 nan 8.190 nan 0.000 0.427 17 V N 4.210 124.116 119.914 -0.013 0.000 2.370 17 V HA 0.807 4.928 4.120 0.001 0.000 0.283 17 V C 0.420 176.494 176.094 -0.035 0.000 1.023 17 V CA -0.333 61.956 62.300 -0.018 0.000 0.857 17 V CB 1.424 33.241 31.823 -0.010 0.000 0.985 17 V HN 0.998 nan 8.190 nan 0.000 0.443 18 A N 5.027 127.821 122.820 -0.043 0.000 2.337 18 A HA 0.852 5.172 4.320 0.001 0.000 0.331 18 A C -0.150 177.415 177.584 -0.033 0.000 1.137 18 A CA -0.861 51.136 52.037 -0.066 0.000 0.807 18 A CB 1.161 20.095 19.000 -0.110 0.000 1.250 18 A HN 0.784 nan 8.150 nan 0.000 0.468 19 R N 1.804 122.292 120.500 -0.019 0.000 2.312 19 R HA 0.463 4.804 4.340 0.001 0.000 0.310 19 R C -1.747 174.648 176.300 0.158 0.000 1.064 19 R CA -0.468 55.672 56.100 0.068 0.000 0.983 19 R CB 0.417 30.732 30.300 0.025 0.000 1.139 19 R HN 0.594 nan 8.270 nan 0.000 0.536 20 L N 6.468 127.768 121.223 0.127 0.000 2.272 20 L HA 0.524 4.864 4.340 0.001 0.000 0.289 20 L C -2.387 174.609 176.870 0.210 0.000 1.032 20 L CA -2.322 52.561 54.840 0.070 0.000 0.810 20 L CB 1.428 43.340 42.059 -0.246 0.000 1.205 20 L HN 0.457 nan 8.230 nan 0.000 0.422 21 P HA 0.173 nan 4.420 nan 0.000 0.271 21 P C -0.732 176.681 177.300 0.188 0.000 1.226 21 P CA -0.085 62.896 63.100 -0.198 0.000 0.765 21 P CB 0.497 32.065 31.700 -0.220 0.000 0.835 22 L N 2.352 123.634 121.223 0.098 0.000 2.472 22 L HA 0.283 4.624 4.340 0.001 0.000 0.260 22 L C 1.304 178.191 176.870 0.027 0.000 1.209 22 L CA -0.399 54.482 54.840 0.068 0.000 0.817 22 L CB 0.018 42.055 42.059 -0.036 0.000 1.106 22 L HN 0.292 nan 8.230 nan 0.000 0.479 35 H N 2.031 121.154 119.070 0.088 0.000 2.960 35 H HA 0.671 5.227 4.556 0.001 0.000 0.302 35 H C -0.478 174.943 175.328 0.155 0.000 1.515 35 H CA -1.139 54.988 56.048 0.131 0.000 1.431 35 H CB 1.819 31.640 29.762 0.098 0.000 1.890 35 H HN 0.208 nan 8.280 nan 0.000 0.762 36 K N 1.501 122.102 120.400 0.335 0.000 2.535 36 K HA 0.224 4.545 4.320 0.001 0.000 0.250 36 K C -1.407 175.312 176.600 0.198 0.000 0.948 36 K CA -0.533 55.919 56.287 0.275 0.000 0.796 36 K CB 2.361 35.108 32.500 0.413 0.000 1.216 36 K HN 0.268 nan 8.250 nan 0.000 0.432 37 V N 4.042 124.032 119.914 0.127 0.000 2.470 37 V HA 0.177 4.297 4.120 0.001 0.000 0.276 37 V C -0.032 176.093 176.094 0.052 0.000 1.040 37 V CA -0.515 61.827 62.300 0.070 0.000 1.008 37 V CB 1.218 33.068 31.823 0.044 0.000 0.990 37 V HN 0.377 nan 8.190 nan 0.000 0.477 38 V N 8.323 128.245 119.914 0.014 0.000 2.304 38 V HA 0.352 4.473 4.120 0.001 0.000 0.278 38 V C -2.282 173.802 176.094 -0.016 0.000 1.018 38 V CA -1.685 60.609 62.300 -0.009 0.000 0.814 38 V CB 1.718 33.499 31.823 -0.070 0.000 1.021 38 V HN 0.746 nan 8.190 nan 0.000 0.440 39 P HA 0.480 nan 4.420 nan 0.000 0.286 39 P C -0.988 176.310 177.300 -0.003 0.000 1.269 39 P CA -0.228 62.870 63.100 -0.002 0.000 0.787 39 P CB 1.386 33.088 31.700 0.004 0.000 0.920 40 L N 3.192 124.415 121.223 -0.000 0.000 2.354 40 L HA 0.587 4.927 4.340 0.001 0.000 0.269 40 L C -0.212 176.669 176.870 0.018 0.000 1.005 40 L CA -1.180 53.663 54.840 0.005 0.000 0.819 40 L CB 2.084 44.142 42.059 -0.001 0.000 1.311 40 L HN 0.221 nan 8.230 nan 0.000 0.423 41 L N 3.447 124.681 121.223 0.019 0.000 2.333 41 L HA 0.641 4.982 4.340 0.001 0.000 0.280 41 L C -1.017 175.860 176.870 0.012 0.000 1.004 41 L CA 0.037 54.893 54.840 0.027 0.000 0.820 41 L CB 1.480 43.554 42.059 0.026 0.000 1.247 41 L HN 0.386 nan 8.230 nan 0.000 0.416 42 I N 5.991 126.564 120.570 0.006 0.000 2.406 42 I HA 0.393 4.563 4.170 0.001 0.000 0.290 42 I C -0.822 175.217 176.117 -0.129 0.000 0.999 42 I CA -0.471 60.779 61.300 -0.084 0.000 1.124 42 I CB 1.583 39.518 38.000 -0.109 0.000 1.289 42 I HN 0.427 nan 8.210 nan 0.000 0.441 43 L N 5.979 127.100 121.223 -0.170 0.000 2.296 43 L HA 0.501 4.842 4.340 0.001 0.000 0.286 43 L C -0.459 176.295 176.870 -0.194 0.000 1.023 43 L CA -0.651 54.140 54.840 -0.083 0.000 0.812 43 L CB 0.986 43.048 42.059 0.004 0.000 1.223 43 L HN 0.529 nan 8.230 nan 0.000 0.421 44 H N 2.253 121.373 119.070 0.083 0.000 2.466 44 H HA 0.721 5.277 4.556 0.000 0.000 0.338 44 H C -0.097 175.292 175.328 0.101 0.000 1.091 44 H CA -0.500 55.593 56.048 0.075 0.000 1.207 44 H CB 2.321 32.121 29.762 0.064 0.000 1.466 44 H HN 0.784 nan 8.280 nan 0.000 0.493 45 G N 1.108 110.028 108.800 0.200 0.000 2.579 45 G HA2 0.173 4.134 3.960 0.001 0.000 0.292 45 G HA3 0.173 4.134 3.960 0.001 0.000 0.292 45 G C -0.731 174.258 174.900 0.147 0.000 1.484 45 G CA -0.870 44.345 45.100 0.193 0.000 0.813 45 G HN 0.444 nan 8.290 nan 0.000 0.515 46 E N -0.861 119.426 120.200 0.144 0.000 2.494 46 E HA -0.283 4.067 4.350 0.001 0.000 0.249 46 E C 1.505 178.151 176.600 0.077 0.000 1.184 46 E CA 2.112 58.579 56.400 0.113 0.000 0.727 46 E CB -1.593 28.186 29.700 0.132 0.000 1.281 46 E HN 2.550 nan 8.360 nan 0.000 0.405 47 G N -1.952 106.896 108.800 0.080 0.000 2.179 47 G HA2 -0.335 3.625 3.960 0.001 0.000 0.260 47 G HA3 -0.335 3.625 3.960 0.001 0.000 0.260 47 G C 0.459 175.395 174.900 0.061 0.000 0.977 47 G CA 1.078 46.216 45.100 0.063 0.000 0.641 47 G HN 1.072 nan 8.290 nan 0.000 0.533 48 V N -2.835 117.116 119.914 0.061 0.000 3.164 48 V HA 0.986 5.106 4.120 0.001 0.000 0.313 48 V C -0.423 175.693 176.094 0.037 0.000 1.188 48 V CA -0.253 62.067 62.300 0.035 0.000 1.058 48 V CB 1.815 33.632 31.823 -0.010 0.000 1.110 48 V HN 1.012 nan 8.190 nan 0.000 0.453 49 Q N 0.570 120.358 119.800 -0.021 0.000 2.389 49 Q HA 0.820 5.161 4.340 0.001 0.000 0.277 49 Q C -0.513 175.425 176.000 -0.104 0.000 1.082 49 Q CA -0.658 55.072 55.803 -0.122 0.000 0.810 49 Q CB 2.310 30.909 28.738 -0.231 0.000 1.374 49 Q HN 1.247 nan 8.270 nan 0.000 0.422 50 G N 0.663 109.396 108.800 -0.112 0.000 2.452 50 G HA2 0.609 4.570 3.960 0.001 0.000 0.324 50 G HA3 0.609 4.570 3.960 0.001 0.000 0.324 50 G C -1.167 173.715 174.900 -0.030 0.000 1.214 50 G CA -0.702 44.373 45.100 -0.043 0.000 0.947 50 G HN 0.405 nan 8.290 nan 0.000 0.478 51 V N 0.453 120.391 119.914 0.040 0.000 2.709 51 V HA 0.876 4.996 4.120 0.001 0.000 0.308 51 V C 0.113 176.318 176.094 0.185 0.000 1.062 51 V CA -0.599 61.736 62.300 0.059 0.000 0.901 51 V CB 1.321 33.161 31.823 0.028 0.000 1.003 51 V HN 1.277 nan 8.190 nan 0.000 0.425 52 A N 3.137 126.019 122.820 0.104 0.000 2.556 52 A HA 0.878 5.199 4.320 0.001 0.000 0.294 52 A C -1.088 176.504 177.584 0.013 0.000 1.091 52 A CA -0.628 51.442 52.037 0.054 0.000 0.704 52 A CB 2.026 20.984 19.000 -0.070 0.000 1.300 52 A HN 0.831 nan 8.150 nan 0.000 0.406 53 E N 0.854 121.043 120.200 -0.018 0.000 2.176 53 E HA 0.534 4.885 4.350 0.001 0.000 0.267 53 E C 0.089 176.675 176.600 -0.024 0.000 0.893 53 E CA -0.637 55.760 56.400 -0.004 0.000 0.761 53 E CB 1.585 31.297 29.700 0.021 0.000 1.133 53 E HN 0.946 nan 8.360 nan 0.000 0.409 54 G N 1.694 110.487 108.800 -0.011 0.000 2.380 54 G HA2 0.181 4.141 3.960 0.001 0.000 0.262 54 G HA3 0.181 4.141 3.960 0.001 0.000 0.262 54 G C 0.590 175.487 174.900 -0.004 0.000 1.243 54 G CA -0.109 44.986 45.100 -0.008 0.000 0.865 54 G HN 0.587 nan 8.290 nan 0.000 0.513 55 T N 0.752 115.301 114.554 -0.008 0.000 3.134 55 T HA 0.214 4.565 4.350 0.001 0.000 0.260 55 T C 1.099 175.802 174.700 0.005 0.000 1.027 55 T CA -0.509 61.585 62.100 -0.011 0.000 0.913 55 T CB -0.116 68.728 68.868 -0.040 0.000 1.046 55 T HN 0.515 nan 8.240 nan 0.000 0.553 56 M N 1.023 120.634 119.600 0.019 0.000 2.226 56 M HA 0.542 5.023 4.480 0.001 0.000 0.324 56 M C -0.445 175.869 176.300 0.023 0.000 1.112 56 M CA -0.080 55.239 55.300 0.030 0.000 1.176 56 M CB 0.132 32.746 32.600 0.023 0.000 1.430 56 M HN 0.053 nan 8.290 nan 0.000 0.462 57 E N 1.040 121.255 120.200 0.025 0.000 2.267 57 E HA 0.600 4.950 4.350 0.001 0.000 0.258 57 E C 1.026 177.632 176.600 0.012 0.000 1.074 57 E CA -0.370 56.042 56.400 0.020 0.000 0.915 57 E CB 0.947 30.661 29.700 0.024 0.000 1.186 57 E HN 0.770 nan 8.360 nan 0.000 0.439 58 A N 1.094 123.922 122.820 0.013 0.000 1.902 58 A HA -0.109 4.212 4.320 0.001 0.000 0.217 58 A C 0.815 178.398 177.584 -0.001 0.000 1.181 58 A CA 1.370 53.411 52.037 0.007 0.000 0.623 58 A CB -0.113 18.893 19.000 0.010 0.000 0.818 58 A HN 0.412 nan 8.150 nan 0.000 0.443 59 R N -0.922 119.576 120.500 -0.003 0.000 2.803 59 R HA 0.402 4.742 4.340 0.001 0.000 0.276 59 R C -2.906 173.380 176.300 -0.023 0.000 0.978 59 R CA -2.270 53.822 56.100 -0.013 0.000 0.939 59 R CB 1.362 31.655 30.300 -0.011 0.000 1.179 59 R HN 0.020 nan 8.270 nan 0.000 0.472 60 P HA 0.085 nan 4.420 nan 0.000 0.252 60 P C -0.422 176.809 177.300 -0.114 0.000 1.727 60 P CA 0.348 63.400 63.100 -0.080 0.000 1.134 60 P CB 0.339 31.984 31.700 -0.092 0.000 1.876 61 M N 0.945 120.497 119.600 -0.079 0.000 2.858 61 M HA 0.041 4.522 4.480 0.001 0.000 0.255 61 M C 1.885 178.124 176.300 -0.102 0.000 1.336 61 M CA 0.770 56.023 55.300 -0.079 0.000 1.220 61 M CB -0.359 32.230 32.600 -0.019 0.000 1.252 61 M HN 0.067 nan 8.290 nan 0.000 0.538 62 Y N 1.113 121.320 120.300 -0.156 0.000 2.263 62 Y HA 0.154 4.705 4.550 0.001 0.000 0.292 62 Y C 1.299 177.024 175.900 -0.291 0.000 1.130 62 Y CA 1.167 59.169 58.100 -0.163 0.000 1.179 62 Y CB 0.369 38.775 38.460 -0.090 0.000 0.998 62 Y HN -0.012 nan 8.280 nan 0.000 0.532 63 R N -0.899 119.319 120.500 -0.469 0.000 3.142 63 R HA 0.099 4.439 4.340 0.001 0.000 0.260 63 R C 1.130 177.167 176.300 -0.438 0.000 1.129 63 R CA 0.134 55.821 56.100 -0.689 0.000 0.976 63 R CB 0.481 30.459 30.300 -0.537 0.000 1.396 63 R HN 0.108 nan 8.270 nan 0.000 0.434 64 E N 0.949 120.950 120.200 -0.330 0.000 2.299 64 E HA 0.001 4.352 4.350 0.001 0.000 0.193 64 E C -0.665 175.890 176.600 -0.075 0.000 0.998 64 E CA 0.947 57.246 56.400 -0.169 0.000 0.851 64 E CB 0.291 29.968 29.700 -0.039 0.000 0.795 64 E HN 0.432 nan 8.360 nan 0.000 0.492 65 E N 1.297 121.467 120.200 -0.050 0.000 2.283 65 E HA 0.306 4.657 4.350 0.001 0.000 0.271 65 E C -0.237 176.354 176.600 -0.014 0.000 1.031 65 E CA -0.216 56.175 56.400 -0.015 0.000 0.868 65 E CB 1.367 31.074 29.700 0.011 0.000 1.094 65 E HN 0.236 nan 8.360 nan 0.000 0.401 66 T N -1.798 112.748 114.554 -0.012 0.000 2.916 66 T HA 0.401 4.752 4.350 0.001 0.000 0.292 66 T C 1.085 175.780 174.700 -0.008 0.000 1.064 66 T CA -0.777 61.316 62.100 -0.010 0.000 1.011 66 T CB 0.787 69.646 68.868 -0.015 0.000 1.152 66 T HN 0.386 nan 8.240 nan 0.000 0.510 67 I N 0.416 120.984 120.570 -0.004 0.000 2.163 67 I HA -0.165 4.006 4.170 0.001 0.000 0.243 67 I C 2.977 179.085 176.117 -0.014 0.000 1.085 67 I CA 1.567 62.864 61.300 -0.005 0.000 1.347 67 I CB -0.399 37.602 38.000 0.001 0.000 1.044 67 I HN 0.923 nan 8.210 nan 0.000 0.408 68 C N 1.400 120.690 119.300 -0.016 0.000 2.413 68 C HA -0.131 4.329 4.460 0.001 0.000 0.276 68 C C 2.968 177.936 174.990 -0.036 0.000 1.236 68 C CA 1.296 60.300 59.018 -0.023 0.000 1.735 68 C CB -1.619 26.109 27.740 -0.019 0.000 2.031 68 C HN 0.613 nan 8.230 nan 0.000 0.474 69 G N -0.095 108.683 108.800 -0.037 0.000 2.408 69 G HA2 0.066 4.027 3.960 0.001 0.000 0.217 69 G HA3 0.066 4.027 3.960 0.001 0.000 0.217 69 G C 1.998 176.853 174.900 -0.076 0.000 1.150 69 G CA 1.102 46.170 45.100 -0.053 0.000 0.776 69 G HN 0.856 nan 8.290 nan 0.000 0.542 70 A N 0.595 123.383 122.820 -0.054 0.000 1.898 70 A HA 0.140 4.460 4.320 0.001 0.000 0.216 70 A C 2.410 179.943 177.584 -0.085 0.000 1.181 70 A CA 1.106 53.108 52.037 -0.059 0.000 0.620 70 A CB -0.346 18.646 19.000 -0.013 0.000 0.819 70 A HN 0.346 nan 8.150 nan 0.000 0.442 71 L N -0.998 120.188 121.223 -0.062 0.000 2.093 71 L HA -0.217 4.124 4.340 0.001 0.000 0.208 71 L C 2.719 179.531 176.870 -0.096 0.000 1.085 71 L CA 0.999 55.804 54.840 -0.058 0.000 0.755 71 L CB -0.847 41.196 42.059 -0.026 0.000 0.904 71 L HN 0.471 nan 8.230 nan 0.000 0.435 72 C N -0.250 118.987 119.300 -0.105 0.000 2.398 72 C HA -0.209 4.252 4.460 0.001 0.000 0.276 72 C C 2.755 177.610 174.990 -0.226 0.000 1.222 72 C CA 0.723 59.661 59.018 -0.133 0.000 1.746 72 C CB -0.703 26.968 27.740 -0.116 0.000 2.039 72 C HN 0.423 nan 8.230 nan 0.000 0.470 73 L N 0.146 121.185 121.223 -0.307 0.000 2.027 73 L HA -0.066 4.274 4.340 0.001 0.000 0.206 73 L C 2.333 178.826 176.870 -0.628 0.000 1.074 73 L CA 1.622 56.118 54.840 -0.574 0.000 0.745 73 L CB -0.898 40.746 42.059 -0.691 0.000 0.898 73 L HN 0.318 nan 8.230 nan 0.000 0.433 74 L N -0.405 120.597 121.223 -0.368 0.000 1.971 74 L HA -0.277 4.063 4.340 0.001 0.000 0.215 74 L C 2.736 179.478 176.870 -0.213 0.000 1.072 74 L CA 2.233 56.961 54.840 -0.187 0.000 0.758 74 L CB -0.537 41.476 42.059 -0.076 0.000 0.889 74 L HN 0.407 nan 8.230 nan 0.000 0.433 75 R N -0.555 119.812 120.500 -0.221 0.000 2.240 75 R HA 0.017 4.357 4.340 0.001 0.000 0.203 75 R C 1.898 178.072 176.300 -0.211 0.000 1.011 75 R CA 1.009 56.936 56.100 -0.288 0.000 1.007 75 R CB -0.447 29.758 30.300 -0.160 0.000 0.911 75 R HN 0.265 nan 8.270 nan 0.000 0.468 76 G N -0.347 108.333 108.800 -0.200 0.000 2.656 76 G HA2 -0.002 3.958 3.960 0.001 0.000 0.211 76 G HA3 -0.002 3.958 3.960 0.001 0.000 0.211 76 G C 0.828 175.620 174.900 -0.180 0.000 1.137 76 G CA 0.689 45.690 45.100 -0.165 0.000 0.802 76 G HN 0.328 nan 8.290 nan 0.000 0.527 77 T N -0.224 114.166 114.554 -0.272 0.000 3.358 77 T HA 0.192 4.542 4.350 0.001 0.000 0.263 77 T C 1.753 176.414 174.700 -0.065 0.000 0.998 77 T CA -0.184 61.753 62.100 -0.270 0.000 1.130 77 T CB -0.079 68.412 68.868 -0.628 0.000 1.165 77 T HN -0.018 nan 8.240 nan 0.000 0.426 78 F N 2.184 122.024 119.950 -0.185 0.000 2.113 78 F HA 0.232 4.759 4.527 0.001 0.000 0.297 78 F C 2.190 177.943 175.800 -0.078 0.000 1.103 78 F CA 0.224 58.152 58.000 -0.120 0.000 1.248 78 F CB -1.281 37.650 39.000 -0.115 0.000 0.999 78 F HN 0.067 nan 8.300 nan 0.000 0.475 79 L N -0.255 121.012 121.223 0.074 0.000 2.027 79 L HA -0.142 4.199 4.340 0.001 0.000 0.206 79 L C -0.297 176.586 176.870 0.022 0.000 1.074 79 L CA 1.335 56.177 54.840 0.003 0.000 0.745 79 L CB -2.100 39.870 42.059 -0.149 0.000 0.898 79 L HN 0.060 nan 8.230 nan 0.000 0.433 80 P HA -0.127 nan 4.420 nan 0.000 0.220 80 P C 1.297 178.640 177.300 0.072 0.000 1.148 80 P CA 1.422 64.540 63.100 0.031 0.000 0.803 80 P CB 0.007 31.713 31.700 0.011 0.000 0.782 81 A N -0.508 122.374 122.820 0.103 0.000 2.066 81 A HA -0.075 4.245 4.320 0.001 0.000 0.218 81 A C 1.934 179.620 177.584 0.169 0.000 1.157 81 A CA 1.359 53.478 52.037 0.137 0.000 0.670 81 A CB -1.191 17.917 19.000 0.181 0.000 0.804 81 A HN 0.380 nan 8.150 nan 0.000 0.453 82 I N -4.830 115.846 120.570 0.176 0.000 4.312 82 I HA 0.347 4.518 4.170 0.001 0.000 0.324 82 I C 0.129 176.402 176.117 0.259 0.000 1.298 82 I CA -0.351 61.128 61.300 0.298 0.000 1.231 82 I CB 0.058 38.156 38.000 0.162 0.000 1.152 82 I HN -0.097 nan 8.210 nan 0.000 0.421 83 L N 4.001 125.318 121.223 0.157 0.000 2.562 83 L HA 0.262 4.603 4.340 0.001 0.000 0.271 83 L C 1.330 178.260 176.870 0.100 0.000 1.167 83 L CA 1.211 56.131 54.840 0.133 0.000 0.917 83 L CB 0.320 42.444 42.059 0.108 0.000 1.187 83 L HN 0.660 nan 8.230 nan 0.000 0.482 84 G N 1.766 110.623 108.800 0.095 0.000 2.176 84 G HA2 -0.203 3.757 3.960 0.001 0.000 0.253 84 G HA3 -0.203 3.757 3.960 0.001 0.000 0.253 84 G C 0.307 175.187 174.900 -0.034 0.000 0.979 84 G CA -0.412 44.711 45.100 0.037 0.000 0.641 84 G HN 0.509 nan 8.290 nan 0.000 0.530 85 Q N 0.403 120.163 119.800 -0.066 0.000 2.256 85 Q HA 0.630 4.971 4.340 0.001 0.000 0.232 85 Q C -0.021 175.652 176.000 -0.545 0.000 0.965 85 Q CA 0.180 55.760 55.803 -0.371 0.000 0.908 85 Q CB 1.103 29.482 28.738 -0.598 0.000 1.209 85 Q HN 0.233 nan 8.270 nan 0.000 0.489 86 T N 1.388 115.480 114.554 -0.770 0.000 2.823 86 T HA 0.688 5.038 4.350 0.001 0.000 0.279 86 T C -0.814 173.303 174.700 -0.972 0.000 0.998 86 T CA -0.306 61.416 62.100 -0.631 0.000 0.994 86 T CB 0.329 69.002 68.868 -0.324 0.000 0.960 86 T HN 0.248 nan 8.240 nan 0.000 0.448 87 F N 0.267 119.838 119.950 -0.632 0.000 2.565 87 F HA 0.588 5.115 4.527 0.000 0.000 0.313 87 F C 0.996 176.327 175.800 -0.782 0.000 1.091 87 F CA -1.225 56.306 58.000 -0.782 0.000 0.915 87 F CB 1.617 39.968 39.000 -1.081 0.000 1.208 87 F HN 0.651 nan 8.300 nan 0.000 0.453 88 A N 2.272 124.900 122.820 -0.321 0.000 1.930 88 A HA 0.108 4.429 4.320 0.001 0.000 0.215 88 A C 0.393 177.645 177.584 -0.553 0.000 1.176 88 A CA 1.171 53.034 52.037 -0.291 0.000 0.632 88 A CB -0.486 18.402 19.000 -0.186 0.000 0.819 88 A HN 0.851 nan 8.150 nan 0.000 0.445 89 N N -3.293 115.051 118.700 -0.593 0.000 3.106 89 N HA 0.244 4.984 4.740 0.001 0.000 0.253 89 N C -3.008 172.120 175.510 -0.637 0.000 1.506 89 N CA -1.471 50.989 53.050 -0.983 0.000 0.876 89 N CB 0.812 38.790 38.487 -0.847 0.000 1.452 89 N HN -0.291 nan 8.380 nan 0.000 0.542 90 P HA -0.031 nan 4.420 nan 0.000 0.220 90 P C 0.646 177.657 177.300 -0.481 0.000 1.148 90 P CA 1.278 63.953 63.100 -0.709 0.000 0.803 90 P CB 0.196 31.052 31.700 -1.406 0.000 0.782 91 E N 0.008 119.972 120.200 -0.393 0.000 2.077 91 E HA -0.148 4.203 4.350 0.001 0.000 0.193 91 E C 2.165 178.660 176.600 -0.175 0.000 0.989 91 E CA 1.541 57.832 56.400 -0.182 0.000 0.800 91 E CB -1.126 28.517 29.700 -0.094 0.000 0.746 91 E HN 0.137 nan 8.360 nan 0.000 0.452 92 A N 0.452 123.151 122.820 -0.202 0.000 1.908 92 A HA -0.182 4.139 4.320 0.001 0.000 0.218 92 A C 2.462 179.962 177.584 -0.139 0.000 1.181 92 A CA 1.531 53.506 52.037 -0.103 0.000 0.627 92 A CB -0.770 18.204 19.000 -0.043 0.000 0.818 92 A HN 0.152 nan 8.150 nan 0.000 0.445 93 V N -0.233 119.421 119.914 -0.433 0.000 2.261 93 V HA -0.247 3.874 4.120 0.001 0.000 0.246 93 V C 2.780 178.649 176.094 -0.376 0.000 1.047 93 V CA 2.375 64.229 62.300 -0.744 0.000 1.015 93 V CB -1.028 30.309 31.823 -0.811 0.000 0.642 93 V HN 0.556 nan 8.190 nan 0.000 0.446 94 S N -0.174 115.366 115.700 -0.267 0.000 2.374 94 S HA -0.288 4.183 4.470 0.001 0.000 0.227 94 S C 1.859 176.376 174.600 -0.138 0.000 1.037 94 S CA 1.946 60.033 58.200 -0.188 0.000 1.024 94 S CB -0.509 62.623 63.200 -0.114 0.000 0.861 94 S HN 0.772 nan 8.310 nan 0.000 0.456 95 D N 1.532 121.873 120.400 -0.099 0.000 2.144 95 D HA -0.036 4.604 4.640 0.001 0.000 0.199 95 D C 1.740 178.027 176.300 -0.022 0.000 0.984 95 D CA 1.143 55.114 54.000 -0.049 0.000 0.834 95 D CB -0.330 40.451 40.800 -0.032 0.000 0.955 95 D HN 0.332 nan 8.370 nan 0.000 0.465 96 A N -0.553 122.266 122.820 -0.001 0.000 2.259 96 A HA 0.028 4.348 4.320 0.001 0.000 0.212 96 A C 1.407 179.022 177.584 0.052 0.000 1.178 96 A CA 0.742 52.819 52.037 0.067 0.000 0.734 96 A CB -0.505 18.612 19.000 0.195 0.000 0.774 96 A HN 0.431 nan 8.150 nan 0.000 0.481 97 L N -2.668 118.549 121.223 -0.011 0.000 3.333 97 L HA 0.276 4.617 4.340 0.001 0.000 0.299 97 L C 1.800 178.711 176.870 0.068 0.000 1.256 97 L CA 0.193 55.056 54.840 0.039 0.000 1.037 97 L CB 0.170 42.050 42.059 -0.298 0.000 1.423 97 L HN 0.224 nan 8.230 nan 0.000 0.605 98 G N 0.471 109.275 108.800 0.007 0.000 2.534 98 G HA2 -0.187 3.773 3.960 0.001 0.000 0.217 98 G HA3 -0.187 3.773 3.960 0.001 0.000 0.217 98 G C 1.483 176.363 174.900 -0.034 0.000 1.128 98 G CA 1.006 46.099 45.100 -0.012 0.000 0.784 98 G HN 0.465 nan 8.290 nan 0.000 0.542 99 S N -0.856 114.770 115.700 -0.125 0.000 2.607 99 S HA 0.217 4.688 4.470 0.001 0.000 0.224 99 S C 0.241 174.620 174.600 -0.368 0.000 0.969 99 S CA -0.363 57.669 58.200 -0.281 0.000 0.927 99 S CB -0.317 62.660 63.200 -0.370 0.000 0.772 99 S HN 0.320 nan 8.310 nan 0.000 0.533 100 Y N 1.858 122.207 120.300 0.083 0.000 2.361 100 Y HA 0.597 5.148 4.550 0.001 0.000 0.332 100 Y C 0.797 176.756 175.900 0.099 0.000 1.101 100 Y CA -1.320 56.854 58.100 0.123 0.000 1.137 100 Y CB 0.899 39.516 38.460 0.261 0.000 1.207 100 Y HN -0.092 nan 8.280 nan 0.000 0.463 101 R N 1.515 122.155 120.500 0.233 0.000 2.428 101 R HA 0.472 4.812 4.340 0.001 0.000 0.294 101 R C 0.737 177.125 176.300 0.147 0.000 1.000 101 R CA 0.016 56.202 56.100 0.142 0.000 0.960 101 R CB 0.950 31.307 30.300 0.096 0.000 1.076 101 R HN 0.951 nan 8.270 nan 0.000 0.475 102 G N 2.522 111.388 108.800 0.111 0.000 2.614 102 G HA2 -0.452 3.509 3.960 0.001 0.000 0.303 102 G HA3 -0.452 3.509 3.960 0.001 0.000 0.303 102 G C -0.260 174.717 174.900 0.128 0.000 1.270 102 G CA 0.656 45.818 45.100 0.103 0.000 0.988 102 G HN 0.824 nan 8.290 nan 0.000 0.551 103 N N -0.541 118.228 118.700 0.115 0.000 2.714 103 N HA -0.187 4.553 4.740 0.001 0.000 0.252 103 N C 1.350 176.938 175.510 0.130 0.000 1.014 103 N CA 1.186 54.311 53.050 0.125 0.000 0.735 103 N CB -0.285 38.300 38.487 0.163 0.000 0.924 103 N HN 0.650 nan 8.380 nan 0.000 0.540 104 R N -0.030 120.523 120.500 0.089 0.000 2.092 104 R HA -0.000 4.340 4.340 0.001 0.000 0.231 104 R C 1.748 178.076 176.300 0.048 0.000 1.119 104 R CA 1.434 57.571 56.100 0.061 0.000 0.970 104 R CB -0.138 30.190 30.300 0.047 0.000 0.864 104 R HN 0.521 nan 8.270 nan 0.000 0.440 105 M N 0.090 119.722 119.600 0.054 0.000 2.132 105 M HA -0.074 4.406 4.480 0.001 0.000 0.263 105 M C 2.579 178.909 176.300 0.050 0.000 1.065 105 M CA 1.658 56.980 55.300 0.038 0.000 1.122 105 M CB -0.432 32.194 32.600 0.043 0.000 1.365 105 M HN 0.148 nan 8.290 nan 0.000 0.411 106 A N 1.004 123.881 122.820 0.094 0.000 1.883 106 A HA -0.189 4.132 4.320 0.001 0.000 0.217 106 A C 2.191 179.895 177.584 0.200 0.000 1.186 106 A CA 1.754 53.883 52.037 0.152 0.000 0.624 106 A CB -0.711 18.405 19.000 0.193 0.000 0.822 106 A HN 0.451 nan 8.150 nan 0.000 0.444 107 R N -0.605 119.997 120.500 0.170 0.000 2.096 107 R HA -0.063 4.278 4.340 0.001 0.000 0.235 107 R C 2.407 178.665 176.300 -0.069 0.000 1.127 107 R CA 1.090 57.151 56.100 -0.064 0.000 0.968 107 R CB -0.498 29.717 30.300 -0.142 0.000 0.861 107 R HN 0.521 nan 8.270 nan 0.000 0.440 108 A N 1.232 124.033 122.820 -0.032 0.000 1.972 108 A HA -0.160 4.161 4.320 0.001 0.000 0.219 108 A C 2.159 179.699 177.584 -0.073 0.000 1.169 108 A CA 1.268 53.267 52.037 -0.063 0.000 0.635 108 A CB -0.398 18.556 19.000 -0.076 0.000 0.810 108 A HN 0.192 nan 8.150 nan 0.000 0.446 109 M N -0.906 118.672 119.600 -0.037 0.000 2.086 109 M HA -0.142 4.338 4.480 0.001 0.000 0.261 109 M C 2.131 178.417 176.300 -0.024 0.000 1.067 109 M CA 1.559 56.841 55.300 -0.030 0.000 1.116 109 M CB -0.580 32.026 32.600 0.011 0.000 1.348 109 M HN 0.257 nan 8.290 nan 0.000 0.407 110 V N 0.184 120.086 119.914 -0.020 0.000 2.307 110 V HA -0.229 3.892 4.120 0.001 0.000 0.245 110 V C 2.474 178.531 176.094 -0.062 0.000 1.045 110 V CA 1.843 64.115 62.300 -0.047 0.000 1.024 110 V CB -0.754 31.014 31.823 -0.092 0.000 0.651 110 V HN 0.482 nan 8.190 nan 0.000 0.449 111 E N 0.058 120.220 120.200 -0.064 0.000 2.051 111 E HA -0.221 4.129 4.350 0.001 0.000 0.192 111 E C 2.222 178.903 176.600 0.135 0.000 0.991 111 E CA 1.825 58.221 56.400 -0.007 0.000 0.799 111 E CB -0.159 29.552 29.700 0.019 0.000 0.748 111 E HN 0.570 nan 8.360 nan 0.000 0.449 112 M N -0.014 119.635 119.600 0.082 0.000 2.175 112 M HA -0.098 4.382 4.480 0.001 0.000 0.264 112 M C 2.467 178.884 176.300 0.195 0.000 1.063 112 M CA 1.405 56.776 55.300 0.119 0.000 1.119 112 M CB -0.273 32.123 32.600 -0.340 0.000 1.377 112 M HN 0.084 nan 8.290 nan 0.000 0.415 113 A N 0.674 123.543 122.820 0.082 0.000 1.940 113 A HA -0.067 4.254 4.320 0.001 0.000 0.219 113 A C 2.400 180.035 177.584 0.086 0.000 1.176 113 A CA 1.962 54.058 52.037 0.099 0.000 0.631 113 A CB -0.867 18.153 19.000 0.033 0.000 0.814 113 A HN 0.497 nan 8.150 nan 0.000 0.446 114 A N -1.481 121.369 122.820 0.049 0.000 1.898 114 A HA -0.122 4.198 4.320 0.001 0.000 0.216 114 A C 1.970 179.541 177.584 -0.022 0.000 1.181 114 A CA 1.272 53.292 52.037 -0.029 0.000 0.620 114 A CB -0.881 18.056 19.000 -0.104 0.000 0.819 114 A HN 0.730 nan 8.150 nan 0.000 0.442 115 W N 0.101 121.460 121.300 0.099 0.000 2.333 115 W HA -0.198 4.462 4.660 0.000 0.000 0.316 115 W C 2.112 178.681 176.519 0.083 0.000 1.215 115 W CA 1.507 58.943 57.345 0.152 0.000 1.278 115 W CB -0.278 29.298 29.460 0.193 0.000 1.154 115 W HN 0.447 nan 8.180 nan 0.000 0.486 116 D N 0.057 120.656 120.400 0.331 0.000 2.106 116 D HA -0.219 4.421 4.640 0.001 0.000 0.191 116 D C 2.022 178.334 176.300 0.019 0.000 0.997 116 D CA 1.600 55.678 54.000 0.129 0.000 0.834 116 D CB -0.581 40.304 40.800 0.141 0.000 0.956 116 D HN -0.006 nan 8.370 nan 0.000 0.448 117 L N 0.588 121.802 121.223 -0.016 0.000 1.970 117 L HA -0.115 4.225 4.340 0.001 0.000 0.212 117 L C 2.288 179.039 176.870 -0.198 0.000 1.071 117 L CA 2.042 56.807 54.840 -0.125 0.000 0.751 117 L CB -1.049 40.907 42.059 -0.171 0.000 0.889 117 L HN 0.409 nan 8.230 nan 0.000 0.432 118 W N 0.321 121.305 121.300 -0.526 0.000 2.317 118 W HA -0.344 4.317 4.660 0.002 0.000 0.318 118 W C 2.165 178.549 176.519 -0.225 0.000 1.227 118 W CA 1.898 58.911 57.345 -0.553 0.000 1.269 118 W CB -0.278 28.869 29.460 -0.520 0.000 1.155 118 W HN 0.375 nan 8.180 nan 0.000 0.484 119 A N 1.102 123.808 122.820 -0.189 0.000 1.940 119 A HA -0.230 4.090 4.320 0.001 0.000 0.219 119 A C 1.988 179.421 177.584 -0.252 0.000 1.176 119 A CA 1.969 53.846 52.037 -0.267 0.000 0.631 119 A CB -0.879 18.076 19.000 -0.076 0.000 0.814 119 A HN 0.461 nan 8.150 nan 0.000 0.446 120 R N -0.755 119.636 120.500 -0.181 0.000 2.115 120 R HA -0.066 4.275 4.340 0.001 0.000 0.226 120 R C 2.349 178.559 176.300 -0.150 0.000 1.100 120 R CA 1.594 57.606 56.100 -0.145 0.000 0.980 120 R CB -0.583 29.656 30.300 -0.103 0.000 0.875 120 R HN 0.739 nan 8.270 nan 0.000 0.445 121 T N -1.213 113.233 114.554 -0.181 0.000 3.007 121 T HA -0.002 4.349 4.350 0.001 0.000 0.270 121 T C 1.676 176.262 174.700 -0.190 0.000 1.107 121 T CA 0.809 62.828 62.100 -0.136 0.000 1.118 121 T CB -0.014 68.812 68.868 -0.070 0.000 0.889 121 T HN 0.139 nan 8.240 nan 0.000 0.506 122 L N -0.027 121.012 121.223 -0.307 0.000 2.513 122 L HA 0.385 4.725 4.340 0.001 0.000 0.222 122 L C 2.038 178.791 176.870 -0.195 0.000 1.096 122 L CA 0.391 55.043 54.840 -0.313 0.000 0.857 122 L CB -0.409 41.338 42.059 -0.522 0.000 1.026 122 L HN 0.544 nan 8.230 nan 0.000 0.469 123 G N 1.233 109.935 108.800 -0.162 0.000 2.176 123 G HA2 -0.232 3.728 3.960 0.001 0.000 0.252 123 G HA3 -0.232 3.728 3.960 0.001 0.000 0.252 123 G C -0.043 174.793 174.900 -0.107 0.000 1.024 123 G CA 0.226 45.259 45.100 -0.112 0.000 0.755 123 G HN 0.143 nan 8.290 nan 0.000 0.507 124 V N 0.389 120.220 119.914 -0.138 0.000 2.495 124 V HA 0.544 4.664 4.120 0.001 0.000 0.298 124 V C -1.801 174.241 176.094 -0.087 0.000 1.031 124 V CA -2.137 60.101 62.300 -0.104 0.000 0.871 124 V CB 2.067 33.819 31.823 -0.118 0.000 0.988 124 V HN 0.067 nan 8.190 nan 0.000 0.432 125 P HA 0.012 nan 4.420 nan 0.000 0.266 125 P C 0.654 177.933 177.300 -0.035 0.000 1.193 125 P CA -0.046 63.050 63.100 -0.007 0.000 0.770 125 P CB 0.666 32.417 31.700 0.086 0.000 0.836 126 L N 3.941 125.070 121.223 -0.157 0.000 2.046 126 L HA -0.037 4.304 4.340 0.001 0.000 0.208 126 L C 2.229 179.048 176.870 -0.086 0.000 1.077 126 L CA 2.574 57.303 54.840 -0.186 0.000 0.747 126 L CB -1.584 40.210 42.059 -0.441 0.000 0.896 126 L HN 0.502 nan 8.230 nan 0.000 0.432 127 G N -1.876 107.019 108.800 0.158 0.000 2.422 127 G HA2 -0.237 3.724 3.960 0.001 0.000 0.218 127 G HA3 -0.237 3.724 3.960 0.001 0.000 0.218 127 G C 1.429 176.311 174.900 -0.030 0.000 1.146 127 G CA 1.139 46.243 45.100 0.008 0.000 0.769 127 G HN 0.437 nan 8.290 nan 0.000 0.547 128 T N 1.337 115.901 114.554 0.015 0.000 2.684 128 T HA -0.061 4.289 4.350 0.001 0.000 0.267 128 T C 2.345 177.057 174.700 0.019 0.000 1.036 128 T CA 0.832 62.944 62.100 0.021 0.000 1.148 128 T CB -0.222 68.659 68.868 0.022 0.000 0.863 128 T HN 0.131 nan 8.240 nan 0.000 0.436 129 L N 0.360 121.590 121.223 0.013 0.000 2.131 129 L HA -0.006 4.334 4.340 0.001 0.000 0.210 129 L C 2.225 179.119 176.870 0.040 0.000 1.092 129 L CA 1.071 55.955 54.840 0.073 0.000 0.759 129 L CB -0.388 41.770 42.059 0.165 0.000 0.903 129 L HN 0.310 nan 8.230 nan 0.000 0.435 130 L N -1.034 120.120 121.223 -0.116 0.000 2.492 130 L HA 0.072 4.413 4.340 0.001 0.000 0.223 130 L C 1.433 178.257 176.870 -0.076 0.000 1.132 130 L CA 0.751 55.473 54.840 -0.198 0.000 0.850 130 L CB -0.259 41.586 42.059 -0.357 0.000 0.966 130 L HN 0.495 nan 8.230 nan 0.000 0.454 131 G N -0.322 108.466 108.800 -0.020 0.000 2.154 131 G HA2 -0.177 3.783 3.960 0.001 0.000 0.186 131 G HA3 -0.177 3.783 3.960 0.001 0.000 0.186 131 G C 0.467 175.393 174.900 0.043 0.000 1.000 131 G CA -0.327 44.796 45.100 0.038 0.000 0.664 131 G HN 0.472 nan 8.290 nan 0.000 0.513 132 G N -0.535 108.249 108.800 -0.027 0.000 2.539 132 G HA2 0.619 4.579 3.960 0.001 0.000 0.258 132 G HA3 0.619 4.579 3.960 0.001 0.000 0.258 132 G C 0.127 175.023 174.900 -0.006 0.000 1.202 132 G CA 0.202 45.251 45.100 -0.086 0.000 0.851 132 G HN 1.355 nan 8.290 nan 0.000 0.556 133 H N -2.110 116.951 119.070 -0.016 0.000 2.904 133 H HA 0.349 4.905 4.556 0.001 0.000 0.242 133 H C 0.120 175.435 175.328 -0.022 0.000 1.193 133 H CA -0.671 55.366 56.048 -0.018 0.000 0.946 133 H CB -0.184 29.576 29.762 -0.004 0.000 2.135 133 H HN 0.294 nan 8.280 nan 0.000 0.652 134 K N 1.045 121.375 120.400 -0.117 0.000 2.270 134 K HA 0.137 4.458 4.320 0.001 0.000 0.276 134 K C 0.041 176.604 176.600 -0.062 0.000 1.023 134 K CA -0.157 56.087 56.287 -0.071 0.000 0.955 134 K CB 1.330 33.774 32.500 -0.093 0.000 0.975 134 K HN 0.439 nan 8.250 nan 0.000 0.471 135 E N 1.137 121.312 120.200 -0.041 0.000 2.472 135 E HA -0.004 4.347 4.350 0.001 0.000 0.196 135 E C -0.220 176.339 176.600 -0.070 0.000 1.033 135 E CA 0.193 56.560 56.400 -0.055 0.000 0.886 135 E CB 0.689 30.372 29.700 -0.027 0.000 0.944 135 E HN 0.361 nan 8.360 nan 0.000 0.492 136 Q N 0.190 119.951 119.800 -0.063 0.000 2.472 136 Q HA 0.387 4.728 4.340 0.001 0.000 0.281 136 Q C -1.876 174.094 176.000 -0.050 0.000 0.997 136 Q CA -0.805 54.964 55.803 -0.056 0.000 0.828 136 Q CB 2.838 31.555 28.738 -0.035 0.000 1.443 136 Q HN 0.051 nan 8.270 nan 0.000 0.390 137 V N -1.109 118.779 119.914 -0.043 0.000 2.841 137 V HA 0.627 4.747 4.120 0.001 0.000 0.310 137 V C -0.786 175.312 176.094 0.008 0.000 1.090 137 V CA -0.790 61.496 62.300 -0.023 0.000 0.930 137 V CB 1.955 33.746 31.823 -0.054 0.000 1.014 137 V HN 0.783 nan 8.190 nan 0.000 0.425 138 E N 2.723 122.943 120.200 0.033 0.000 2.354 138 E HA 0.536 4.886 4.350 0.001 0.000 0.269 138 E C -0.293 176.353 176.600 0.076 0.000 1.036 138 E CA -0.371 56.056 56.400 0.045 0.000 0.876 138 E CB 2.042 31.773 29.700 0.051 0.000 1.009 138 E HN 1.000 nan 8.360 nan 0.000 0.416 139 V N -1.131 118.837 119.914 0.092 0.000 2.914 139 V HA 0.893 5.014 4.120 0.001 0.000 0.314 139 V C 0.071 176.289 176.094 0.207 0.000 1.084 139 V CA -0.690 61.702 62.300 0.153 0.000 0.963 139 V CB 1.793 33.729 31.823 0.188 0.000 1.025 139 V HN 0.709 nan 8.190 nan 0.000 0.432 140 G N 0.089 108.972 108.800 0.139 0.000 2.788 140 G HA2 0.738 4.698 3.960 0.001 0.000 0.293 140 G HA3 0.738 4.698 3.960 0.001 0.000 0.293 140 G C -1.311 173.475 174.900 -0.190 0.000 1.305 140 G CA -0.637 44.477 45.100 0.023 0.000 1.005 140 G HN 1.486 nan 8.290 nan 0.000 0.496 141 V N -0.603 119.072 119.914 -0.399 0.000 2.789 141 V HA 0.733 4.854 4.120 0.001 0.000 0.311 141 V C -0.503 175.377 176.094 -0.356 0.000 1.073 141 V CA -0.612 61.320 62.300 -0.613 0.000 0.921 141 V CB 2.214 33.274 31.823 -1.271 0.000 1.009 141 V HN 0.817 nan 8.190 nan 0.000 0.426 142 S N 6.728 122.276 115.700 -0.253 0.000 2.525 142 S HA 0.781 5.252 4.470 0.001 0.000 0.290 142 S C -1.026 173.503 174.600 -0.119 0.000 1.152 142 S CA -0.540 57.583 58.200 -0.128 0.000 1.072 142 S CB 1.401 64.584 63.200 -0.028 0.000 1.027 142 S HN 0.517 nan 8.310 nan 0.000 0.500 143 L N 2.556 123.745 121.223 -0.056 0.000 2.356 143 L HA 0.589 4.929 4.340 0.001 0.000 0.277 143 L C 0.917 177.808 176.870 0.034 0.000 0.996 143 L CA -0.161 54.675 54.840 -0.008 0.000 0.822 143 L CB 1.023 43.092 42.059 0.016 0.000 1.256 143 L HN 0.858 nan 8.230 nan 0.000 0.413 144 G N 3.121 111.945 108.800 0.041 0.000 2.611 144 G HA2 0.371 4.332 3.960 0.001 0.000 0.273 144 G HA3 0.371 4.332 3.960 0.001 0.000 0.273 144 G C 0.074 175.031 174.900 0.095 0.000 1.305 144 G CA -0.601 44.535 45.100 0.060 0.000 1.010 144 G HN 0.513 nan 8.290 nan 0.000 0.509 145 I N 0.991 121.622 120.570 0.102 0.000 2.556 145 I HA 0.081 4.251 4.170 0.001 0.000 0.284 145 I C 0.509 176.671 176.117 0.075 0.000 1.114 145 I CA 0.014 61.400 61.300 0.145 0.000 1.418 145 I CB 0.949 39.013 38.000 0.107 0.000 1.394 145 I HN 0.334 nan 8.210 nan 0.000 0.552 146 Q N 4.588 124.470 119.800 0.137 0.000 2.286 146 Q HA 0.454 4.795 4.340 0.001 0.000 0.250 146 Q C 0.776 176.710 176.000 -0.109 0.000 1.021 146 Q CA -0.553 55.280 55.803 0.049 0.000 0.930 146 Q CB 1.112 29.919 28.738 0.115 0.000 1.266 146 Q HN 0.741 nan 8.270 nan 0.000 0.491 147 A N 0.155 122.911 122.820 -0.106 0.000 1.968 147 A HA -0.059 4.261 4.320 0.001 0.000 0.217 147 A C 0.093 177.509 177.584 -0.280 0.000 1.169 147 A CA 2.023 53.937 52.037 -0.205 0.000 0.638 147 A CB -0.140 18.793 19.000 -0.112 0.000 0.812 147 A HN 0.798 nan 8.150 nan 0.000 0.446 148 D N -4.378 115.985 120.400 -0.062 0.000 2.779 148 D HA 0.262 4.903 4.640 0.001 0.000 0.331 148 D C 0.235 176.769 176.300 0.389 0.000 1.331 148 D CA -0.340 53.728 54.000 0.113 0.000 0.866 148 D CB -0.050 40.789 40.800 0.065 0.000 1.409 148 D HN -0.019 nan 8.370 nan 0.000 0.486 149 E N -0.788 119.662 120.200 0.417 0.000 2.038 149 E HA -0.279 4.072 4.350 0.001 0.000 0.195 149 E C 1.469 178.153 176.600 0.139 0.000 1.000 149 E CA 1.436 57.981 56.400 0.242 0.000 0.803 149 E CB -0.090 29.686 29.700 0.125 0.000 0.750 149 E HN 0.437 nan 8.360 nan 0.000 0.448 150 Q N 0.838 120.700 119.800 0.104 0.000 2.167 150 Q HA -0.061 4.280 4.340 0.001 0.000 0.202 150 Q C 1.878 177.919 176.000 0.069 0.000 0.970 150 Q CA 1.542 57.386 55.803 0.068 0.000 0.855 150 Q CB -0.276 28.489 28.738 0.045 0.000 0.911 150 Q HN 0.263 nan 8.270 nan 0.000 0.438 151 A N -0.860 122.005 122.820 0.076 0.000 1.972 151 A HA -0.159 4.162 4.320 0.001 0.000 0.219 151 A C 2.201 179.831 177.584 0.078 0.000 1.169 151 A CA 1.869 53.943 52.037 0.061 0.000 0.635 151 A CB -0.824 18.205 19.000 0.048 0.000 0.810 151 A HN 0.474 nan 8.150 nan 0.000 0.446 152 T N -0.433 114.193 114.554 0.120 0.000 2.737 152 T HA -0.093 4.258 4.350 0.001 0.000 0.265 152 T C 1.892 176.645 174.700 0.087 0.000 1.038 152 T CA 1.556 63.726 62.100 0.118 0.000 1.144 152 T CB -0.407 68.554 68.868 0.155 0.000 0.866 152 T HN 0.166 nan 8.240 nan 0.000 0.434 153 V N 1.804 121.774 119.914 0.094 0.000 2.358 153 V HA -0.181 3.940 4.120 0.001 0.000 0.246 153 V C 2.344 178.518 176.094 0.133 0.000 1.047 153 V CA 2.001 64.378 62.300 0.129 0.000 1.035 153 V CB -0.710 31.177 31.823 0.106 0.000 0.658 153 V HN 0.508 nan 8.190 nan 0.000 0.452 154 D N -0.290 120.157 120.400 0.079 0.000 2.123 154 D HA -0.220 4.420 4.640 0.001 0.000 0.196 154 D C 1.948 178.251 176.300 0.006 0.000 0.992 154 D CA 1.324 55.353 54.000 0.048 0.000 0.833 154 D CB -0.072 40.743 40.800 0.024 0.000 0.954 154 D HN 0.279 nan 8.370 nan 0.000 0.455 155 L N -0.290 120.930 121.223 -0.005 0.000 2.109 155 L HA -0.023 4.318 4.340 0.001 0.000 0.207 155 L C 2.232 179.050 176.870 -0.087 0.000 1.086 155 L CA 0.977 55.774 54.840 -0.072 0.000 0.760 155 L CB -0.339 41.713 42.059 -0.013 0.000 0.910 155 L HN 0.032 nan 8.230 nan 0.000 0.437 156 V N -0.286 119.624 119.914 -0.008 0.000 2.332 156 V HA -0.315 3.806 4.120 0.001 0.000 0.248 156 V C 2.749 178.733 176.094 -0.184 0.000 1.055 156 V CA 2.084 64.342 62.300 -0.070 0.000 1.038 156 V CB -0.684 31.088 31.823 -0.085 0.000 0.651 156 V HN 0.468 nan 8.190 nan 0.000 0.450 157 R N -0.133 120.355 120.500 -0.021 0.000 2.081 157 R HA -0.199 4.142 4.340 0.001 0.000 0.235 157 R C 2.583 178.876 176.300 -0.012 0.000 1.131 157 R CA 1.857 58.020 56.100 0.104 0.000 0.960 157 R CB -0.321 30.163 30.300 0.308 0.000 0.856 157 R HN 0.438 nan 8.270 nan 0.000 0.436 158 R N -0.439 120.008 120.500 -0.089 0.000 2.103 158 R HA -0.200 4.140 4.340 0.001 0.000 0.242 158 R C 1.642 177.862 176.300 -0.133 0.000 1.142 158 R CA 2.260 58.264 56.100 -0.161 0.000 0.960 158 R CB -0.303 29.806 30.300 -0.318 0.000 0.858 158 R HN 0.501 nan 8.270 nan 0.000 0.439 159 H N -0.998 118.065 119.070 -0.012 0.000 2.436 159 H HA 0.017 4.573 4.556 0.001 0.000 0.294 159 H C 2.091 177.448 175.328 0.048 0.000 1.048 159 H CA 0.889 56.972 56.048 0.059 0.000 1.353 159 H CB 0.353 30.097 29.762 -0.029 0.000 1.414 159 H HN -0.019 nan 8.280 nan 0.000 0.536 160 V N 0.933 120.840 119.914 -0.012 0.000 2.392 160 V HA -0.243 3.878 4.120 0.001 0.000 0.249 160 V C 2.251 178.342 176.094 -0.005 0.000 1.059 160 V CA 2.072 64.317 62.300 -0.093 0.000 1.051 160 V CB -0.234 31.368 31.823 -0.368 0.000 0.658 160 V HN 0.401 nan 8.190 nan 0.000 0.455 161 E N 0.075 120.285 120.200 0.017 0.000 2.216 161 E HA -0.166 4.185 4.350 0.001 0.000 0.192 161 E C 2.174 178.781 176.600 0.010 0.000 0.988 161 E CA 0.929 57.343 56.400 0.024 0.000 0.834 161 E CB -0.152 29.564 29.700 0.027 0.000 0.772 161 E HN 0.667 nan 8.360 nan 0.000 0.479 162 Q N -1.123 118.698 119.800 0.034 0.000 2.436 162 Q HA 0.093 4.434 4.340 0.001 0.000 0.209 162 Q C 1.016 176.930 176.000 -0.143 0.000 0.965 162 Q CA 0.674 56.468 55.803 -0.016 0.000 0.910 162 Q CB 0.408 29.201 28.738 0.091 0.000 0.980 162 Q HN 0.429 nan 8.270 nan 0.000 0.491 163 G N -0.273 108.470 108.800 -0.094 0.000 2.176 163 G HA2 -0.277 3.684 3.960 0.001 0.000 0.232 163 G HA3 -0.277 3.684 3.960 0.001 0.000 0.232 163 G C -0.243 174.560 174.900 -0.161 0.000 0.986 163 G CA -0.479 44.542 45.100 -0.131 0.000 0.643 163 G HN 0.311 nan 8.290 nan 0.000 0.522 164 Y N 0.263 120.548 120.300 -0.024 0.000 2.788 164 Y HA 0.272 4.823 4.550 0.001 0.000 0.341 164 Y C 1.966 177.831 175.900 -0.059 0.000 1.258 164 Y CA 0.898 58.971 58.100 -0.046 0.000 1.503 164 Y CB 0.410 38.828 38.460 -0.070 0.000 1.325 164 Y HN 0.117 nan 8.280 nan 0.000 0.614 165 R N 1.272 121.840 120.500 0.113 0.000 2.472 165 R HA 0.202 4.543 4.340 0.001 0.000 0.279 165 R C -0.058 176.237 176.300 -0.007 0.000 0.953 165 R CA -0.090 56.027 56.100 0.030 0.000 1.088 165 R CB 0.609 30.921 30.300 0.021 0.000 1.197 165 R HN 0.401 nan 8.270 nan 0.000 0.536 166 R N 1.056 121.544 120.500 -0.019 0.000 2.604 166 R HA 0.253 4.594 4.340 0.001 0.000 0.261 166 R C -1.908 174.314 176.300 -0.130 0.000 1.080 166 R CA -0.480 55.559 56.100 -0.102 0.000 0.917 166 R CB 1.386 31.594 30.300 -0.153 0.000 1.252 166 R HN -0.064 nan 8.270 nan 0.000 0.456 167 I N 3.444 123.915 120.570 -0.165 0.000 2.436 167 I HA 0.402 4.573 4.170 0.001 0.000 0.289 167 I C -0.069 175.939 176.117 -0.182 0.000 1.010 167 I CA -0.683 60.513 61.300 -0.172 0.000 1.098 167 I CB 1.660 39.566 38.000 -0.156 0.000 1.266 167 I HN 0.479 nan 8.210 nan 0.000 0.434 168 K N 7.468 127.770 120.400 -0.164 0.000 2.307 168 K HA 0.630 4.950 4.320 0.001 0.000 0.263 168 K C -1.518 175.042 176.600 -0.067 0.000 0.973 168 K CA -0.551 55.660 56.287 -0.127 0.000 0.846 168 K CB 1.445 33.885 32.500 -0.101 0.000 1.100 168 K HN 0.556 nan 8.250 nan 0.000 0.438 169 L N 4.152 125.347 121.223 -0.046 0.000 2.295 169 L HA 0.404 4.744 4.340 0.001 0.000 0.285 169 L C 0.122 177.020 176.870 0.045 0.000 1.035 169 L CA -0.841 53.997 54.840 -0.003 0.000 0.806 169 L CB 1.471 43.515 42.059 -0.026 0.000 1.214 169 L HN 0.561 nan 8.230 nan 0.000 0.426 170 K N 4.809 125.257 120.400 0.081 0.000 2.368 170 K HA 0.445 4.766 4.320 0.001 0.000 0.282 170 K C -0.531 176.161 176.600 0.154 0.000 1.035 170 K CA -0.232 56.129 56.287 0.123 0.000 0.973 170 K CB 0.645 33.218 32.500 0.123 0.000 0.957 170 K HN 0.609 nan 8.250 nan 0.000 0.474 171 I N 0.297 120.973 120.570 0.176 0.000 3.108 171 I HA 0.642 4.812 4.170 0.001 0.000 0.312 171 I C -1.444 174.830 176.117 0.260 0.000 1.095 171 I CA -1.106 60.319 61.300 0.208 0.000 1.000 171 I CB 2.190 40.287 38.000 0.161 0.000 1.229 171 I HN 0.696 nan 8.210 nan 0.000 0.454 172 K N 1.053 121.612 120.400 0.265 0.000 2.625 172 K HA 0.539 4.860 4.320 0.001 0.000 0.284 172 K C -3.310 173.330 176.600 0.068 0.000 0.984 172 K CA -1.548 54.793 56.287 0.091 0.000 0.865 172 K CB 1.564 34.107 32.500 0.071 0.000 1.468 172 K HN 0.280 nan 8.250 nan 0.000 0.407 173 P HA 0.028 nan 4.420 nan 0.000 0.265 173 P C 0.715 178.064 177.300 0.083 0.000 1.193 173 P CA 1.536 64.606 63.100 -0.050 0.000 0.765 173 P CB 0.635 32.214 31.700 -0.201 0.000 0.823 174 G N 1.317 110.205 108.800 0.147 0.000 2.234 174 G HA2 -0.229 3.731 3.960 0.001 0.000 0.260 174 G HA3 -0.229 3.731 3.960 0.001 0.000 0.260 174 G C -0.236 174.865 174.900 0.335 0.000 0.987 174 G CA -0.054 45.156 45.100 0.184 0.000 0.625 174 G HN 0.618 nan 8.290 nan 0.000 0.532 175 W N 1.684 123.016 121.300 0.052 0.000 2.162 175 W HA 0.457 5.117 4.660 0.001 0.000 0.292 175 W C 0.047 176.612 176.519 0.078 0.000 0.998 175 W CA 0.287 57.661 57.345 0.049 0.000 1.570 175 W CB 0.581 30.059 29.460 0.030 0.000 1.644 175 W HN 0.329 nan 8.180 nan 0.000 0.360 176 D N -0.780 119.527 120.400 -0.156 0.000 2.690 176 D HA -0.024 4.616 4.640 0.001 0.000 0.235 176 D C 1.453 177.607 176.300 -0.243 0.000 1.327 176 D CA 0.328 54.246 54.000 -0.137 0.000 1.264 176 D CB 0.093 40.947 40.800 0.090 0.000 1.574 176 D HN -0.050 nan 8.370 nan 0.000 0.421 177 V N 0.874 120.687 119.914 -0.167 0.000 2.427 177 V HA -0.197 3.924 4.120 0.001 0.000 0.248 177 V C 2.283 178.184 176.094 -0.322 0.000 1.051 177 V CA 2.053 64.258 62.300 -0.159 0.000 1.048 177 V CB -0.803 31.006 31.823 -0.023 0.000 0.666 177 V HN 0.115 nan 8.190 nan 0.000 0.456 178 Q N 0.524 120.071 119.800 -0.422 0.000 1.990 178 Q HA -0.101 4.240 4.340 0.001 0.000 0.200 178 Q C 0.058 175.693 176.000 -0.609 0.000 0.980 178 Q CA 2.049 57.553 55.803 -0.499 0.000 0.832 178 Q CB -1.796 26.630 28.738 -0.519 0.000 0.897 178 Q HN 0.518 nan 8.270 nan 0.000 0.427 179 P HA -0.128 nan 4.420 nan 0.000 0.216 179 P C 1.174 178.256 177.300 -0.364 0.000 1.150 179 P CA 1.184 63.943 63.100 -0.568 0.000 0.837 179 P CB 0.056 31.385 31.700 -0.618 0.000 0.786 180 V N 0.514 120.185 119.914 -0.405 0.000 2.379 180 V HA -0.142 3.979 4.120 0.001 0.000 0.245 180 V C 2.996 178.746 176.094 -0.572 0.000 1.044 180 V CA 1.608 63.684 62.300 -0.372 0.000 1.036 180 V CB -1.092 30.552 31.823 -0.300 0.000 0.664 180 V HN 0.047 nan 8.190 nan 0.000 0.453 181 R N 0.484 120.516 120.500 -0.780 0.000 2.083 181 R HA -0.200 4.141 4.340 0.001 0.000 0.237 181 R C 2.310 178.371 176.300 -0.399 0.000 1.137 181 R CA 1.878 57.444 56.100 -0.890 0.000 0.951 181 R CB -0.507 29.459 30.300 -0.557 0.000 0.851 181 R HN 0.470 nan 8.270 nan 0.000 0.434 182 A N -0.158 122.499 122.820 -0.272 0.000 1.908 182 A HA -0.152 4.168 4.320 0.001 0.000 0.218 182 A C 2.192 179.726 177.584 -0.082 0.000 1.181 182 A CA 2.110 54.064 52.037 -0.137 0.000 0.627 182 A CB -0.859 18.082 19.000 -0.098 0.000 0.818 182 A HN 0.490 nan 8.150 nan 0.000 0.445 183 T N -0.888 113.615 114.554 -0.085 0.000 2.732 183 T HA -0.096 4.255 4.350 0.001 0.000 0.261 183 T C 2.129 176.877 174.700 0.080 0.000 1.040 183 T CA 1.569 63.694 62.100 0.041 0.000 1.145 183 T CB -0.225 68.645 68.868 0.002 0.000 0.866 183 T HN 0.437 nan 8.240 nan 0.000 0.427 184 R N 1.477 121.962 120.500 -0.024 0.000 2.152 184 R HA -0.012 4.329 4.340 0.001 0.000 0.232 184 R C 2.110 178.432 176.300 0.037 0.000 1.117 184 R CA 1.542 57.663 56.100 0.034 0.000 0.981 184 R CB -0.476 29.851 30.300 0.045 0.000 0.870 184 R HN 0.526 nan 8.270 nan 0.000 0.451 185 E N -1.033 119.157 120.200 -0.017 0.000 2.046 185 E HA -0.071 4.279 4.350 0.001 0.000 0.190 185 E C 1.658 178.207 176.600 -0.085 0.000 0.982 185 E CA 1.105 57.487 56.400 -0.029 0.000 0.800 185 E CB -0.117 29.556 29.700 -0.046 0.000 0.756 185 E HN 0.424 nan 8.360 nan 0.000 0.449 186 A N -0.137 122.606 122.820 -0.128 0.000 1.968 186 A HA -0.016 4.305 4.320 0.001 0.000 0.217 186 A C 0.564 177.770 177.584 -0.631 0.000 1.169 186 A CA 0.733 52.553 52.037 -0.363 0.000 0.638 186 A CB 0.023 18.812 19.000 -0.351 0.000 0.812 186 A HN 0.252 nan 8.150 nan 0.000 0.446 187 F N -1.311 118.627 119.950 -0.019 0.000 2.660 187 F HA 0.342 4.869 4.527 0.001 0.000 0.352 187 F C -2.129 173.665 175.800 -0.010 0.000 1.257 187 F CA -1.642 56.350 58.000 -0.014 0.000 1.200 187 F CB 1.720 40.710 39.000 -0.017 0.000 1.473 187 F HN 0.017 nan 8.300 nan 0.000 0.561 188 P HA -0.097 nan 4.420 nan 0.000 0.220 188 P C 0.636 177.980 177.300 0.074 0.000 1.148 188 P CA 1.438 64.579 63.100 0.069 0.000 0.803 188 P CB 0.393 32.112 31.700 0.032 0.000 0.782 189 D N -1.182 119.273 120.400 0.091 0.000 2.454 189 D HA 0.096 4.737 4.640 0.001 0.000 0.219 189 D C 1.216 177.546 176.300 0.051 0.000 1.081 189 D CA -0.069 53.968 54.000 0.062 0.000 0.867 189 D CB 0.255 41.087 40.800 0.053 0.000 1.054 189 D HN 0.241 nan 8.370 nan 0.000 0.500 190 I N -0.152 120.459 120.570 0.069 0.000 2.948 190 I HA 0.044 4.214 4.170 0.001 0.000 0.290 190 I C 0.561 176.661 176.117 -0.027 0.000 1.226 190 I CA -0.375 60.930 61.300 0.009 0.000 1.413 190 I CB 0.746 38.719 38.000 -0.045 0.000 1.352 190 I HN -0.306 nan 8.210 nan 0.000 0.597 191 R N 4.655 125.121 120.500 -0.056 0.000 2.351 191 R HA 0.405 4.745 4.340 0.001 0.000 0.318 191 R C -1.291 174.926 176.300 -0.139 0.000 1.055 191 R CA -0.453 55.590 56.100 -0.094 0.000 0.968 191 R CB 0.485 30.728 30.300 -0.096 0.000 0.974 191 R HN 0.684 nan 8.270 nan 0.000 0.439 192 L N 4.336 125.462 121.223 -0.160 0.000 2.410 192 L HA 0.512 4.852 4.340 0.001 0.000 0.270 192 L C -0.912 175.796 176.870 -0.270 0.000 0.983 192 L CA -0.059 54.673 54.840 -0.179 0.000 0.822 192 L CB 2.315 44.310 42.059 -0.107 0.000 1.285 192 L HN 0.843 nan 8.230 nan 0.000 0.409 193 T N 1.711 116.073 114.554 -0.320 0.000 2.887 193 T HA 0.850 5.200 4.350 0.001 0.000 0.292 193 T C -0.618 173.957 174.700 -0.209 0.000 1.087 193 T CA -0.286 61.551 62.100 -0.438 0.000 1.009 193 T CB 1.585 69.942 68.868 -0.853 0.000 1.203 193 T HN 0.964 nan 8.240 nan 0.000 0.518 194 V N -1.373 118.475 119.914 -0.109 0.000 2.914 194 V HA 0.778 4.898 4.120 0.001 0.000 0.314 194 V C -1.435 174.730 176.094 0.119 0.000 1.084 194 V CA -0.907 61.397 62.300 0.006 0.000 0.963 194 V CB 1.948 33.775 31.823 0.007 0.000 1.025 194 V HN 0.995 nan 8.190 nan 0.000 0.432 195 D N 2.861 123.345 120.400 0.139 0.000 2.443 195 D HA 0.630 5.270 4.640 0.001 0.000 0.221 195 D C 0.751 177.174 176.300 0.206 0.000 1.097 195 D CA 0.145 54.262 54.000 0.195 0.000 0.865 195 D CB 1.614 42.526 40.800 0.186 0.000 1.034 195 D HN 0.928 nan 8.370 nan 0.000 0.511 196 A N 4.207 127.167 122.820 0.232 0.000 2.235 196 A HA -0.032 4.289 4.320 0.001 0.000 0.208 196 A C 1.210 178.984 177.584 0.316 0.000 1.172 196 A CA 0.066 52.295 52.037 0.321 0.000 0.786 196 A CB -0.809 18.358 19.000 0.279 0.000 0.804 196 A HN 0.847 nan 8.150 nan 0.000 0.479 197 N N 0.153 118.999 118.700 0.244 0.000 2.701 197 N HA -0.240 4.501 4.740 0.001 0.000 0.257 197 N C -0.057 175.573 175.510 0.201 0.000 0.969 197 N CA 0.610 53.784 53.050 0.207 0.000 0.786 197 N CB -0.870 37.717 38.487 0.166 0.000 0.917 197 N HN 0.357 nan 8.380 nan 0.000 0.541 198 S N -2.441 113.404 115.700 0.241 0.000 3.477 198 S HA -0.251 4.220 4.470 0.001 0.000 0.357 198 S C 0.951 175.652 174.600 0.168 0.000 1.083 198 S CA 0.812 59.149 58.200 0.228 0.000 1.042 198 S CB -1.243 62.094 63.200 0.229 0.000 0.911 198 S HN 0.818 nan 8.310 nan 0.000 0.490 199 A N -1.369 121.545 122.820 0.157 0.000 2.308 199 A HA 0.494 4.815 4.320 0.001 0.000 0.217 199 A C 0.285 177.747 177.584 -0.203 0.000 1.216 199 A CA 0.269 52.278 52.037 -0.047 0.000 0.864 199 A CB 0.191 19.101 19.000 -0.151 0.000 0.902 199 A HN 0.552 nan 8.150 nan 0.000 0.499 200 Y N -0.620 119.714 120.300 0.057 0.000 2.631 200 Y HA 0.573 5.124 4.550 0.001 0.000 0.328 200 Y C 0.895 176.800 175.900 0.008 0.000 1.118 200 Y CA -0.028 58.093 58.100 0.035 0.000 1.206 200 Y CB 1.627 40.109 38.460 0.037 0.000 1.337 200 Y HN 0.120 nan 8.280 nan 0.000 0.515 201 T N -2.708 111.953 114.554 0.179 0.000 2.887 201 T HA 0.377 4.728 4.350 0.001 0.000 0.292 201 T C 0.322 175.059 174.700 0.062 0.000 1.087 201 T CA -0.860 61.286 62.100 0.076 0.000 1.009 201 T CB 0.828 69.722 68.868 0.044 0.000 1.203 201 T HN 0.580 nan 8.240 nan 0.000 0.518 202 L N 0.835 122.065 121.223 0.012 0.000 2.265 202 L HA 0.029 4.370 4.340 0.001 0.000 0.215 202 L C 3.084 179.966 176.870 0.020 0.000 1.117 202 L CA 1.390 56.230 54.840 0.000 0.000 0.782 202 L CB -0.804 41.244 42.059 -0.019 0.000 0.914 202 L HN 0.963 nan 8.230 nan 0.000 0.441 203 A N -0.338 122.502 122.820 0.032 0.000 2.024 203 A HA -0.225 4.096 4.320 0.001 0.000 0.220 203 A C 1.746 179.363 177.584 0.056 0.000 1.164 203 A CA 1.877 53.936 52.037 0.037 0.000 0.643 203 A CB -0.355 18.667 19.000 0.037 0.000 0.806 203 A HN 0.373 nan 8.150 nan 0.000 0.451 204 D N -0.338 120.116 120.400 0.090 0.000 2.340 204 D HA 0.245 4.885 4.640 0.001 0.000 0.220 204 D C 1.913 178.253 176.300 0.066 0.000 1.039 204 D CA 0.781 54.861 54.000 0.133 0.000 0.866 204 D CB -0.068 40.924 40.800 0.320 0.000 0.913 204 D HN 0.436 nan 8.370 nan 0.000 0.523 205 A N 1.010 123.847 122.820 0.028 0.000 1.997 205 A HA -0.148 4.173 4.320 0.001 0.000 0.221 205 A C 2.333 179.914 177.584 -0.005 0.000 1.172 205 A CA 2.038 54.072 52.037 -0.005 0.000 0.645 205 A CB -0.944 18.052 19.000 -0.005 0.000 0.813 205 A HN 0.326 nan 8.150 nan 0.000 0.454 206 G N -1.316 107.491 108.800 0.013 0.000 2.408 206 G HA2 -0.196 3.765 3.960 0.001 0.000 0.217 206 G HA3 -0.196 3.765 3.960 0.001 0.000 0.217 206 G C 1.740 176.650 174.900 0.017 0.000 1.150 206 G CA 0.735 45.842 45.100 0.013 0.000 0.776 206 G HN 0.365 nan 8.290 nan 0.000 0.542 207 R N 0.236 120.757 120.500 0.036 0.000 2.081 207 R HA 0.101 4.442 4.340 0.001 0.000 0.235 207 R C 2.618 178.919 176.300 0.001 0.000 1.131 207 R CA 0.834 56.964 56.100 0.050 0.000 0.960 207 R CB -0.708 29.665 30.300 0.121 0.000 0.856 207 R HN 0.436 nan 8.270 nan 0.000 0.436 208 L N 0.112 121.298 121.223 -0.061 0.000 2.156 208 L HA -0.033 4.308 4.340 0.001 0.000 0.208 208 L C 2.687 179.524 176.870 -0.055 0.000 1.095 208 L CA 0.660 55.431 54.840 -0.115 0.000 0.770 208 L CB -0.514 41.418 42.059 -0.211 0.000 0.914 208 L HN 0.084 nan 8.230 nan 0.000 0.439 209 R N 0.978 121.457 120.500 -0.035 0.000 2.139 209 R HA -0.205 4.136 4.340 0.001 0.000 0.243 209 R C 1.973 178.257 176.300 -0.026 0.000 1.145 209 R CA 1.612 57.696 56.100 -0.027 0.000 0.976 209 R CB -0.221 30.067 30.300 -0.020 0.000 0.866 209 R HN 0.550 nan 8.270 nan 0.000 0.449 210 Q N -0.049 119.746 119.800 -0.008 0.000 2.364 210 Q HA -0.076 4.265 4.340 0.001 0.000 0.207 210 Q C 2.072 178.099 176.000 0.045 0.000 0.970 210 Q CA 0.798 56.607 55.803 0.010 0.000 0.888 210 Q CB 0.046 28.809 28.738 0.041 0.000 0.951 210 Q HN 0.399 nan 8.270 nan 0.000 0.469 211 L N 0.566 121.820 121.223 0.052 0.000 2.395 211 L HA -0.124 4.216 4.340 0.001 0.000 0.218 211 L C 1.383 178.282 176.870 0.048 0.000 1.130 211 L CA 0.358 55.271 54.840 0.122 0.000 0.826 211 L CB -0.227 41.861 42.059 0.049 0.000 0.941 211 L HN 0.088 nan 8.230 nan 0.000 0.451 212 D N 0.884 121.260 120.400 -0.040 0.000 2.178 212 D HA -0.211 4.429 4.640 0.001 0.000 0.201 212 D C 1.849 178.064 176.300 -0.142 0.000 0.980 212 D CA 1.383 55.341 54.000 -0.069 0.000 0.842 212 D CB -0.006 40.756 40.800 -0.063 0.000 0.948 212 D HN 0.596 nan 8.370 nan 0.000 0.472 213 E N -0.549 119.470 120.200 -0.302 0.000 2.482 213 E HA -0.131 4.220 4.350 0.001 0.000 0.196 213 E C 0.791 177.091 176.600 -0.500 0.000 1.047 213 E CA 0.560 56.704 56.400 -0.427 0.000 0.869 213 E CB -0.400 28.970 29.700 -0.549 0.000 0.836 213 E HN 0.406 nan 8.360 nan 0.000 0.520 214 Y N 1.202 121.479 120.300 -0.037 0.000 2.485 214 Y HA 0.131 4.681 4.550 0.001 0.000 0.260 214 Y C -0.182 175.691 175.900 -0.043 0.000 1.173 214 Y CA -0.488 57.588 58.100 -0.040 0.000 1.252 214 Y CB 0.356 38.786 38.460 -0.049 0.000 1.123 214 Y HN -0.088 nan 8.280 nan 0.000 0.524 215 D N 0.950 121.368 120.400 0.029 0.000 2.689 215 D HA -0.207 4.434 4.640 0.001 0.000 0.237 215 D C -0.385 175.910 176.300 -0.008 0.000 1.148 215 D CA 0.655 54.657 54.000 0.004 0.000 0.656 215 D CB -1.264 39.537 40.800 0.002 0.000 1.050 215 D HN 0.384 nan 8.370 nan 0.000 0.426 216 L N 0.117 121.332 121.223 -0.014 0.000 2.456 216 L HA 0.032 4.373 4.340 0.001 0.000 0.272 216 L C 2.223 179.026 176.870 -0.112 0.000 1.189 216 L CA -0.019 54.773 54.840 -0.080 0.000 0.846 216 L CB 0.361 42.373 42.059 -0.077 0.000 1.111 216 L HN -0.030 nan 8.230 nan 0.000 0.475 217 T N 0.796 115.215 114.554 -0.225 0.000 2.788 217 T HA -0.083 4.267 4.350 0.001 0.000 0.268 217 T C -0.323 174.324 174.700 -0.088 0.000 1.044 217 T CA 1.458 63.441 62.100 -0.194 0.000 1.139 217 T CB -0.182 68.503 68.868 -0.305 0.000 0.867 217 T HN 0.615 nan 8.240 nan 0.000 0.454 218 Y N -1.795 118.495 120.300 -0.017 0.000 2.702 218 Y HA 0.632 5.183 4.550 0.001 0.000 0.336 218 Y C -1.876 174.035 175.900 0.017 0.000 1.203 218 Y CA -2.453 55.655 58.100 0.013 0.000 1.072 218 Y CB 0.543 39.032 38.460 0.049 0.000 1.327 218 Y HN -0.126 nan 8.280 nan 0.000 0.456 219 I N 2.110 122.857 120.570 0.295 0.000 2.362 219 I HA 0.306 4.477 4.170 0.001 0.000 0.289 219 I C -0.350 175.937 176.117 0.283 0.000 0.994 219 I CA -0.669 60.766 61.300 0.225 0.000 1.158 219 I CB 1.711 39.765 38.000 0.090 0.000 1.315 219 I HN 0.663 nan 8.210 nan 0.000 0.451 220 E N 5.740 126.133 120.200 0.323 0.000 2.229 220 E HA 0.067 4.417 4.350 0.001 0.000 0.283 220 E C -0.129 176.594 176.600 0.204 0.000 1.030 220 E CA -0.572 55.982 56.400 0.257 0.000 0.836 220 E CB 0.685 30.587 29.700 0.337 0.000 1.068 220 E HN 0.471 nan 8.360 nan 0.000 0.401 221 Q N 3.970 123.853 119.800 0.137 0.000 2.413 221 Q HA -0.179 4.162 4.340 0.001 0.000 0.364 221 Q C -1.923 174.276 176.000 0.331 0.000 1.359 221 Q CA 0.533 56.441 55.803 0.175 0.000 1.097 221 Q CB -0.121 28.698 28.738 0.135 0.000 1.286 221 Q HN 0.484 nan 8.270 nan 0.000 0.358 222 P HA -0.155 nan 4.420 nan 0.000 0.217 222 P C 0.278 177.744 177.300 0.277 0.000 1.150 222 P CA 1.244 64.520 63.100 0.294 0.000 0.832 222 P CB 0.262 32.034 31.700 0.121 0.000 0.787 223 L N -1.359 119.960 121.223 0.160 0.000 2.693 223 L HA 0.597 4.937 4.340 0.001 0.000 0.253 223 L C 0.883 177.823 176.870 0.117 0.000 1.155 223 L CA -1.589 53.213 54.840 -0.064 0.000 1.026 223 L CB -0.452 41.287 42.059 -0.534 0.000 1.817 223 L HN -0.243 nan 8.230 nan 0.000 0.556 224 A N 0.364 123.207 122.820 0.039 0.000 2.531 224 A HA -0.042 4.278 4.320 0.001 0.000 0.236 224 A C 0.861 178.519 177.584 0.124 0.000 1.062 224 A CA -0.094 51.992 52.037 0.083 0.000 0.760 224 A CB -0.189 18.783 19.000 -0.047 0.000 0.995 224 A HN 0.883 nan 8.150 nan 0.000 0.501 225 W N 2.368 123.705 121.300 0.061 0.000 2.364 225 W HA -0.152 4.509 4.660 0.001 0.000 0.281 225 W C -0.019 176.494 176.519 -0.010 0.000 1.219 225 W CA 1.416 58.767 57.345 0.011 0.000 1.220 225 W CB -0.519 28.904 29.460 -0.062 0.000 1.127 225 W HN 0.753 nan 8.180 nan 0.000 0.556 226 D N -0.183 119.660 120.400 -0.929 0.000 2.368 226 D HA 0.005 4.645 4.640 0.001 0.000 0.218 226 D C -0.143 175.914 176.300 -0.406 0.000 1.112 226 D CA -0.153 53.300 54.000 -0.912 0.000 0.834 226 D CB -0.677 39.213 40.800 -1.515 0.000 0.953 226 D HN 0.094 nan 8.370 nan 0.000 0.505 227 D N 0.695 120.983 120.400 -0.188 0.000 2.175 227 D HA 0.186 4.827 4.640 0.001 0.000 0.248 227 D C 0.599 176.952 176.300 0.089 0.000 1.047 227 D CA -0.493 53.484 54.000 -0.038 0.000 0.883 227 D CB 1.958 42.755 40.800 -0.006 0.000 1.180 227 D HN 0.015 nan 8.370 nan 0.000 0.438 228 L N 2.834 124.073 121.223 0.026 0.000 2.624 228 L HA 0.039 4.380 4.340 0.001 0.000 0.222 228 L C 2.331 179.232 176.870 0.051 0.000 1.046 228 L CA -0.081 54.780 54.840 0.035 0.000 0.872 228 L CB 0.039 42.076 42.059 -0.038 0.000 1.190 228 L HN 0.296 nan 8.230 nan 0.000 0.487 229 V N 0.541 120.459 119.914 0.008 0.000 2.295 229 V HA -0.270 3.850 4.120 0.001 0.000 0.246 229 V C 1.989 178.080 176.094 -0.005 0.000 1.049 229 V CA 2.067 64.364 62.300 -0.005 0.000 1.024 229 V CB -0.323 31.486 31.823 -0.022 0.000 0.648 229 V HN 0.411 nan 8.190 nan 0.000 0.447 230 D N -1.570 118.813 120.400 -0.028 0.000 2.178 230 D HA -0.128 4.513 4.640 0.001 0.000 0.202 230 D C 2.083 178.329 176.300 -0.091 0.000 0.974 230 D CA 1.009 54.964 54.000 -0.076 0.000 0.841 230 D CB -0.311 40.413 40.800 -0.127 0.000 0.953 230 D HN 0.516 nan 8.370 nan 0.000 0.478 231 H N 0.734 119.789 119.070 -0.024 0.000 2.319 231 H HA -0.036 4.520 4.556 0.001 0.000 0.299 231 H C 2.084 177.399 175.328 -0.022 0.000 1.092 231 H CA 1.408 57.445 56.048 -0.019 0.000 1.302 231 H CB -0.096 29.651 29.762 -0.025 0.000 1.373 231 H HN 0.097 nan 8.280 nan 0.000 0.497 232 A N 1.182 124.057 122.820 0.092 0.000 1.940 232 A HA -0.237 4.084 4.320 0.001 0.000 0.219 232 A C 2.399 179.995 177.584 0.019 0.000 1.176 232 A CA 2.038 54.097 52.037 0.037 0.000 0.631 232 A CB -0.341 18.667 19.000 0.014 0.000 0.814 232 A HN 0.496 nan 8.150 nan 0.000 0.446 233 E N -0.143 120.062 120.200 0.007 0.000 2.047 233 E HA -0.155 4.195 4.350 0.001 0.000 0.191 233 E C 1.775 178.372 176.600 -0.005 0.000 0.987 233 E CA 1.397 57.794 56.400 -0.004 0.000 0.799 233 E CB -0.524 29.166 29.700 -0.016 0.000 0.752 233 E HN 0.391 nan 8.360 nan 0.000 0.449 234 L N 0.522 121.739 121.223 -0.010 0.000 2.083 234 L HA 0.041 4.382 4.340 0.001 0.000 0.209 234 L C 2.265 179.140 176.870 0.008 0.000 1.083 234 L CA 2.126 56.960 54.840 -0.010 0.000 0.752 234 L CB -0.886 41.155 42.059 -0.029 0.000 0.899 234 L HN 0.249 nan 8.230 nan 0.000 0.433 235 A N -0.388 122.447 122.820 0.025 0.000 2.019 235 A HA -0.184 4.137 4.320 0.001 0.000 0.219 235 A C 2.316 179.908 177.584 0.013 0.000 1.164 235 A CA 1.556 53.608 52.037 0.025 0.000 0.644 235 A CB -0.563 18.455 19.000 0.029 0.000 0.805 235 A HN 0.562 nan 8.150 nan 0.000 0.449 236 R N -0.940 119.564 120.500 0.008 0.000 2.275 236 R HA 0.088 4.428 4.340 0.001 0.000 0.199 236 R C 1.489 177.789 176.300 -0.000 0.000 0.989 236 R CA 0.591 56.693 56.100 0.004 0.000 1.016 236 R CB 0.009 30.310 30.300 0.003 0.000 0.918 236 R HN 0.429 nan 8.270 nan 0.000 0.473 237 R N 0.519 121.018 120.500 -0.002 0.000 2.365 237 R HA 0.251 4.592 4.340 0.001 0.000 0.223 237 R C 0.825 177.120 176.300 -0.009 0.000 0.899 237 R CA 0.259 56.355 56.100 -0.006 0.000 1.059 237 R CB 0.528 30.823 30.300 -0.008 0.000 1.086 237 R HN 0.198 nan 8.270 nan 0.000 0.522 238 I N -3.388 117.178 120.570 -0.007 0.000 3.074 238 I HA 0.389 4.559 4.170 0.001 0.000 0.310 238 I C 0.496 176.610 176.117 -0.005 0.000 1.153 238 I CA -1.155 60.139 61.300 -0.011 0.000 0.993 238 I CB 2.353 40.343 38.000 -0.018 0.000 1.237 238 I HN -0.253 nan 8.210 nan 0.000 0.443 239 R N 0.598 121.092 120.500 -0.009 0.000 2.206 239 R HA 0.163 4.504 4.340 0.001 0.000 0.198 239 R C 0.174 176.476 176.300 0.004 0.000 0.986 239 R CA 0.292 56.389 56.100 -0.005 0.000 1.029 239 R CB -0.187 30.104 30.300 -0.014 0.000 0.966 239 R HN 0.678 nan 8.270 nan 0.000 0.487 240 T N 4.705 119.261 114.554 0.004 0.000 2.871 240 T HA 0.074 4.425 4.350 0.001 0.000 0.296 240 T C -2.336 172.389 174.700 0.043 0.000 0.998 240 T CA -0.764 61.348 62.100 0.019 0.000 1.162 240 T CB 0.760 69.637 68.868 0.015 0.000 0.947 240 T HN -0.002 nan 8.240 nan 0.000 0.536 241 P HA 0.160 nan 4.420 nan 0.000 0.267 241 P C -0.348 177.024 177.300 0.120 0.000 1.200 241 P CA -0.204 62.947 63.100 0.085 0.000 0.772 241 P CB 0.426 32.191 31.700 0.108 0.000 0.855 242 L N 2.170 123.445 121.223 0.087 0.000 2.334 242 L HA 0.449 4.790 4.340 0.001 0.000 0.277 242 L C 0.391 177.283 176.870 0.037 0.000 1.075 242 L CA -0.635 54.257 54.840 0.086 0.000 0.804 242 L CB 1.345 43.446 42.059 0.071 0.000 1.174 242 L HN 0.436 nan 8.230 nan 0.000 0.438 243 C N 4.784 124.095 119.300 0.019 0.000 2.345 243 C HA 0.576 5.037 4.460 0.001 0.000 0.323 243 C C -0.224 174.692 174.990 -0.122 0.000 1.276 243 C CA -0.763 58.191 59.018 -0.106 0.000 1.543 243 C CB 0.416 27.979 27.740 -0.295 0.000 2.211 243 C HN 0.548 nan 8.230 nan 0.000 0.493 244 L N 5.635 126.748 121.223 -0.184 0.000 2.334 244 L HA 0.451 4.791 4.340 0.001 0.000 0.277 244 L C 0.592 177.362 176.870 -0.167 0.000 1.075 244 L CA 0.691 55.404 54.840 -0.212 0.000 0.804 244 L CB 1.206 43.123 42.059 -0.237 0.000 1.174 244 L HN 0.863 nan 8.230 nan 0.000 0.438 245 D N 0.936 121.277 120.400 -0.099 0.000 3.040 245 D HA -0.005 4.636 4.640 0.001 0.000 0.221 245 D C 1.218 177.525 176.300 0.012 0.000 1.515 245 D CA 0.346 54.322 54.000 -0.041 0.000 1.379 245 D CB 0.412 41.249 40.800 0.062 0.000 0.992 245 D HN 0.458 nan 8.370 nan 0.000 0.234 246 E N 0.117 120.354 120.200 0.062 0.000 2.265 246 E HA -0.049 4.301 4.350 0.001 0.000 0.196 246 E C 1.769 178.422 176.600 0.088 0.000 0.996 246 E CA 1.233 57.664 56.400 0.052 0.000 0.832 246 E CB -0.049 29.678 29.700 0.045 0.000 0.756 246 E HN 0.277 nan 8.360 nan 0.000 0.491 247 S N -0.636 115.071 115.700 0.012 0.000 2.593 247 S HA 0.081 4.552 4.470 0.001 0.000 0.217 247 S C 0.708 175.271 174.600 -0.063 0.000 0.966 247 S CA -0.277 57.894 58.200 -0.048 0.000 0.914 247 S CB 0.391 63.530 63.200 -0.102 0.000 0.776 247 S HN -0.051 nan 8.310 nan 0.000 0.523 248 V N 2.244 122.124 119.914 -0.057 0.000 2.257 248 V HA 0.638 4.758 4.120 0.001 0.000 0.269 248 V C 0.714 176.791 176.094 -0.028 0.000 1.040 248 V CA -0.116 62.147 62.300 -0.063 0.000 0.813 248 V CB 0.292 32.054 31.823 -0.102 0.000 1.065 248 V HN 0.466 nan 8.190 nan 0.000 0.457 249 A N 3.718 126.533 122.820 -0.009 0.000 2.387 249 A HA 0.631 4.952 4.320 0.001 0.000 0.234 249 A C 0.741 178.330 177.584 0.007 0.000 1.253 249 A CA 0.556 52.602 52.037 0.014 0.000 0.894 249 A CB 0.097 19.121 19.000 0.039 0.000 0.963 249 A HN 0.951 nan 8.150 nan 0.000 0.508 250 S N -3.721 111.975 115.700 -0.006 0.000 2.627 250 S HA 0.556 5.027 4.470 0.001 0.000 0.268 250 S C 0.764 175.361 174.600 -0.006 0.000 1.130 250 S CA 0.035 58.236 58.200 0.001 0.000 0.819 250 S CB 0.663 63.868 63.200 0.007 0.000 1.100 250 S HN 1.115 nan 8.310 nan 0.000 0.465 251 A N 1.818 124.644 122.820 0.010 0.000 1.917 251 A HA -0.058 4.263 4.320 0.001 0.000 0.219 251 A C 2.346 179.938 177.584 0.013 0.000 1.182 251 A CA 2.748 54.796 52.037 0.017 0.000 0.633 251 A CB -1.607 17.415 19.000 0.036 0.000 0.819 251 A HN 1.786 nan 8.150 nan 0.000 0.448 252 S N -0.459 115.247 115.700 0.011 0.000 2.436 252 S HA -0.118 4.352 4.470 0.001 0.000 0.228 252 S C 1.367 175.959 174.600 -0.015 0.000 1.014 252 S CA 1.188 59.394 58.200 0.009 0.000 0.950 252 S CB -0.397 62.810 63.200 0.012 0.000 0.784 252 S HN 0.470 nan 8.310 nan 0.000 0.504 253 D N 2.603 122.987 120.400 -0.027 0.000 2.117 253 D HA 0.057 4.698 4.640 0.001 0.000 0.197 253 D C 2.275 178.526 176.300 -0.080 0.000 0.987 253 D CA 1.512 55.482 54.000 -0.051 0.000 0.829 253 D CB -0.683 40.088 40.800 -0.048 0.000 0.961 253 D HN 0.541 nan 8.370 nan 0.000 0.460 254 A N 1.102 123.876 122.820 -0.077 0.000 1.858 254 A HA -0.187 4.134 4.320 0.001 0.000 0.216 254 A C 2.185 179.668 177.584 -0.168 0.000 1.190 254 A CA 1.489 53.454 52.037 -0.121 0.000 0.617 254 A CB -0.440 18.507 19.000 -0.088 0.000 0.827 254 A HN 0.043 nan 8.150 nan 0.000 0.443 255 R N 0.471 120.926 120.500 -0.074 0.000 2.096 255 R HA -0.169 4.171 4.340 0.001 0.000 0.240 255 R C 1.915 178.145 176.300 -0.117 0.000 1.139 255 R CA 2.255 58.338 56.100 -0.029 0.000 0.952 255 R CB -0.505 29.868 30.300 0.121 0.000 0.854 255 R HN 0.603 nan 8.270 nan 0.000 0.436 256 K N -0.144 120.209 120.400 -0.078 0.000 2.057 256 K HA -0.058 4.263 4.320 0.001 0.000 0.207 256 K C 2.194 178.717 176.600 -0.129 0.000 1.049 256 K CA 1.408 57.651 56.287 -0.073 0.000 0.931 256 K CB -0.201 32.269 32.500 -0.049 0.000 0.714 256 K HN 0.240 nan 8.250 nan 0.000 0.440 257 A N 1.492 124.212 122.820 -0.168 0.000 1.883 257 A HA -0.156 4.165 4.320 0.001 0.000 0.217 257 A C 2.131 179.565 177.584 -0.249 0.000 1.186 257 A CA 1.403 53.330 52.037 -0.183 0.000 0.624 257 A CB -0.696 18.192 19.000 -0.188 0.000 0.822 257 A HN 0.161 nan 8.150 nan 0.000 0.444 258 L N -1.084 119.877 121.223 -0.436 0.000 2.109 258 L HA -0.104 4.237 4.340 0.001 0.000 0.207 258 L C 3.007 179.575 176.870 -0.503 0.000 1.086 258 L CA 0.924 55.380 54.840 -0.641 0.000 0.760 258 L CB -0.497 40.777 42.059 -1.309 0.000 0.910 258 L HN 0.426 nan 8.230 nan 0.000 0.437 259 A N 0.021 122.610 122.820 -0.385 0.000 1.929 259 A HA -0.046 4.274 4.320 0.001 0.000 0.216 259 A C 2.165 179.742 177.584 -0.012 0.000 1.176 259 A CA 0.963 52.989 52.037 -0.019 0.000 0.628 259 A CB -0.514 18.560 19.000 0.123 0.000 0.816 259 A HN 0.351 nan 8.150 nan 0.000 0.444 260 L N -0.865 120.326 121.223 -0.054 0.000 2.465 260 L HA 0.088 4.429 4.340 0.001 0.000 0.224 260 L C 1.683 178.536 176.870 -0.028 0.000 1.145 260 L CA 0.588 55.410 54.840 -0.030 0.000 0.834 260 L CB -0.361 41.679 42.059 -0.032 0.000 0.944 260 L HN 0.580 nan 8.230 nan 0.000 0.451 261 G N -0.365 108.402 108.800 -0.054 0.000 2.176 261 G HA2 -0.344 3.617 3.960 0.001 0.000 0.252 261 G HA3 -0.344 3.617 3.960 0.001 0.000 0.252 261 G C 1.002 175.884 174.900 -0.031 0.000 1.024 261 G CA 0.432 45.509 45.100 -0.040 0.000 0.755 261 G HN 0.454 nan 8.290 nan 0.000 0.507 262 A N -1.053 121.738 122.820 -0.048 0.000 2.015 262 A HA 0.546 4.867 4.320 0.001 0.000 0.219 262 A C 1.706 179.267 177.584 -0.038 0.000 1.163 262 A CA 1.991 54.019 52.037 -0.015 0.000 0.646 262 A CB 0.079 19.058 19.000 -0.034 0.000 0.806 262 A HN 2.172 nan 8.150 nan 0.000 0.448 263 G N -4.201 104.551 108.800 -0.081 0.000 2.600 263 G HA2 0.458 4.419 3.960 0.001 0.000 0.293 263 G HA3 0.458 4.419 3.960 0.001 0.000 0.293 263 G C 0.214 175.068 174.900 -0.078 0.000 1.408 263 G CA 0.254 45.311 45.100 -0.073 0.000 0.782 263 G HN 0.647 nan 8.290 nan 0.000 0.482 264 G N -1.544 107.229 108.800 -0.045 0.000 3.104 264 G HA2 0.469 4.429 3.960 0.001 0.000 0.237 264 G HA3 0.469 4.429 3.960 0.001 0.000 0.237 264 G C -0.337 174.545 174.900 -0.030 0.000 1.035 264 G CA 0.407 45.489 45.100 -0.030 0.000 0.844 264 G HN 0.917 nan 8.290 nan 0.000 0.531 265 V N 1.069 120.952 119.914 -0.053 0.000 2.888 265 V HA 0.521 4.641 4.120 0.001 0.000 0.309 265 V C -1.036 174.972 176.094 -0.143 0.000 1.114 265 V CA -0.786 61.478 62.300 -0.059 0.000 0.940 265 V CB 2.407 34.207 31.823 -0.038 0.000 1.021 265 V HN 0.096 nan 8.190 nan 0.000 0.426 266 I N 3.145 123.603 120.570 -0.188 0.000 2.406 266 I HA 0.385 4.556 4.170 0.001 0.000 0.290 266 I C -0.250 175.546 176.117 -0.535 0.000 0.999 266 I CA -0.565 60.562 61.300 -0.290 0.000 1.124 266 I CB 1.886 39.736 38.000 -0.251 0.000 1.289 266 I HN 0.597 nan 8.210 nan 0.000 0.441 267 N N 7.077 125.386 118.700 -0.653 0.000 2.399 267 N HA 0.107 4.848 4.740 0.001 0.000 0.259 267 N C -1.199 173.924 175.510 -0.646 0.000 1.160 267 N CA -0.263 52.110 53.050 -1.127 0.000 0.946 267 N CB 0.744 38.707 38.487 -0.872 0.000 1.156 267 N HN 0.378 nan 8.380 nan 0.000 0.489 268 L N 4.085 124.970 121.223 -0.562 0.000 2.259 268 L HA 0.416 4.757 4.340 0.001 0.000 0.288 268 L C -0.425 176.367 176.870 -0.130 0.000 1.051 268 L CA -0.206 54.494 54.840 -0.235 0.000 0.824 268 L CB 0.230 42.219 42.059 -0.117 0.000 1.206 268 L HN 0.372 nan 8.230 nan 0.000 0.429 269 K N 4.069 124.407 120.400 -0.103 0.000 2.293 269 K HA 0.246 4.566 4.320 0.001 0.000 0.267 269 K C 0.693 177.269 176.600 -0.040 0.000 1.010 269 K CA -0.423 55.826 56.287 -0.063 0.000 0.875 269 K CB 2.312 34.777 32.500 -0.059 0.000 1.106 269 K HN 0.506 nan 8.250 nan 0.000 0.450 270 V N 3.234 123.116 119.914 -0.053 0.000 2.343 270 V HA -0.253 3.867 4.120 0.001 0.000 0.247 270 V C 1.798 177.820 176.094 -0.121 0.000 1.051 270 V CA 2.678 64.917 62.300 -0.102 0.000 1.036 270 V CB -0.134 31.574 31.823 -0.191 0.000 0.654 270 V HN 0.932 nan 8.190 nan 0.000 0.451 271 A N -0.189 122.569 122.820 -0.105 0.000 1.968 271 A HA -0.144 4.177 4.320 0.001 0.000 0.217 271 A C 2.391 179.965 177.584 -0.018 0.000 1.169 271 A CA 1.512 53.503 52.037 -0.077 0.000 0.638 271 A CB -0.644 18.317 19.000 -0.066 0.000 0.812 271 A HN 0.573 nan 8.150 nan 0.000 0.446 272 R N 0.232 120.738 120.500 0.011 0.000 2.120 272 R HA -0.114 4.227 4.340 0.001 0.000 0.234 272 R C 1.614 177.935 176.300 0.034 0.000 1.123 272 R CA 1.945 58.081 56.100 0.060 0.000 0.975 272 R CB -0.252 30.113 30.300 0.109 0.000 0.866 272 R HN 0.529 nan 8.270 nan 0.000 0.446 273 V N -3.411 116.507 119.914 0.007 0.000 3.647 273 V HA 0.416 4.537 4.120 0.001 0.000 0.279 273 V C 0.805 176.900 176.094 0.002 0.000 1.314 273 V CA 0.591 62.894 62.300 0.005 0.000 1.125 273 V CB 0.388 32.211 31.823 -0.001 0.000 0.907 273 V HN 0.427 nan 8.190 nan 0.000 0.434 274 G N -1.472 107.322 108.800 -0.010 0.000 2.163 274 G HA2 0.306 4.267 3.960 0.001 0.000 0.213 274 G HA3 0.306 4.267 3.960 0.001 0.000 0.213 274 G C 1.004 175.886 174.900 -0.030 0.000 0.991 274 G CA -0.019 45.072 45.100 -0.015 0.000 0.653 274 G HN 2.310 nan 8.290 nan 0.000 0.518 275 G N -1.768 106.991 108.800 -0.069 0.000 2.373 275 G HA2 0.206 4.166 3.960 0.001 0.000 0.634 275 G HA3 0.206 4.166 3.960 0.001 0.000 0.634 275 G C 0.282 175.117 174.900 -0.110 0.000 1.267 275 G CA 0.429 45.451 45.100 -0.130 0.000 1.008 275 G HN 0.602 nan 8.290 nan 0.000 0.497 276 H N -0.147 118.905 119.070 -0.029 0.000 2.352 276 H HA -0.042 4.515 4.556 0.001 0.000 0.299 276 H C 3.071 178.320 175.328 -0.132 0.000 1.097 276 H CA 2.655 58.575 56.048 -0.214 0.000 1.311 276 H CB -0.557 28.799 29.762 -0.677 0.000 1.377 276 H HN 0.768 nan 8.280 nan 0.000 0.504 277 A N 0.989 123.946 122.820 0.228 0.000 1.873 277 A HA -0.184 4.137 4.320 0.001 0.000 0.215 277 A C 2.413 180.083 177.584 0.143 0.000 1.186 277 A CA 1.795 53.987 52.037 0.258 0.000 0.616 277 A CB -0.368 18.890 19.000 0.430 0.000 0.823 277 A HN 0.360 nan 8.150 nan 0.000 0.442 278 E N 0.256 120.523 120.200 0.112 0.000 2.110 278 E HA -0.117 4.234 4.350 0.001 0.000 0.193 278 E C 2.171 178.808 176.600 0.061 0.000 0.988 278 E CA 1.571 58.014 56.400 0.071 0.000 0.804 278 E CB -0.273 29.454 29.700 0.046 0.000 0.745 278 E HN 0.494 nan 8.360 nan 0.000 0.458 279 S N -0.140 115.592 115.700 0.053 0.000 2.368 279 S HA -0.176 4.295 4.470 0.001 0.000 0.225 279 S C 1.901 176.560 174.600 0.098 0.000 1.030 279 S CA 1.294 59.534 58.200 0.066 0.000 0.999 279 S CB -0.322 62.920 63.200 0.069 0.000 0.844 279 S HN 0.287 nan 8.310 nan 0.000 0.459 280 R N 1.019 121.562 120.500 0.071 0.000 2.096 280 R HA -0.034 4.306 4.340 0.001 0.000 0.235 280 R C 2.392 178.770 176.300 0.130 0.000 1.127 280 R CA 1.169 57.304 56.100 0.059 0.000 0.968 280 R CB -0.068 30.232 30.300 -0.000 0.000 0.861 280 R HN 0.289 nan 8.270 nan 0.000 0.440 281 R N -0.437 120.126 120.500 0.104 0.000 2.073 281 R HA -0.098 4.242 4.340 0.001 0.000 0.234 281 R C 2.286 178.640 176.300 0.090 0.000 1.134 281 R CA 1.700 57.858 56.100 0.097 0.000 0.952 281 R CB -0.365 29.981 30.300 0.078 0.000 0.850 281 R HN 0.082 nan 8.270 nan 0.000 0.433 282 V N 0.289 120.245 119.914 0.070 0.000 2.295 282 V HA -0.296 3.824 4.120 0.001 0.000 0.246 282 V C 2.233 178.341 176.094 0.024 0.000 1.049 282 V CA 2.309 64.626 62.300 0.028 0.000 1.024 282 V CB -0.714 31.106 31.823 -0.005 0.000 0.648 282 V HN 0.463 nan 8.190 nan 0.000 0.447 283 H N 0.349 119.379 119.070 -0.067 0.000 2.352 283 H HA -0.196 4.360 4.556 0.001 0.000 0.299 283 H C 1.946 177.243 175.328 -0.051 0.000 1.097 283 H CA 2.209 58.185 56.048 -0.120 0.000 1.311 283 H CB -0.043 29.671 29.762 -0.080 0.000 1.377 283 H HN 0.399 nan 8.280 nan 0.000 0.504 284 D N -0.318 120.159 120.400 0.129 0.000 2.194 284 D HA -0.084 4.557 4.640 0.001 0.000 0.204 284 D C 2.407 178.726 176.300 0.032 0.000 0.964 284 D CA 0.900 54.947 54.000 0.077 0.000 0.846 284 D CB -0.126 40.764 40.800 0.151 0.000 0.962 284 D HN 0.303 nan 8.370 nan 0.000 0.490 285 V N 1.448 121.399 119.914 0.061 0.000 2.270 285 V HA -0.213 3.907 4.120 0.001 0.000 0.245 285 V C 2.537 178.741 176.094 0.184 0.000 1.043 285 V CA 1.759 64.133 62.300 0.124 0.000 1.014 285 V CB -0.782 31.115 31.823 0.124 0.000 0.645 285 V HN 0.166 nan 8.190 nan 0.000 0.447 286 A N -0.388 122.460 122.820 0.047 0.000 1.873 286 A HA -0.391 3.929 4.320 0.001 0.000 0.218 286 A C 2.222 179.819 177.584 0.021 0.000 1.193 286 A CA 2.654 54.690 52.037 -0.003 0.000 0.629 286 A CB -0.749 18.170 19.000 -0.136 0.000 0.826 286 A HN 0.620 nan 8.150 nan 0.000 0.447 287 Q N 0.362 120.104 119.800 -0.096 0.000 2.135 287 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 287 Q C 2.071 178.062 176.000 -0.016 0.000 0.981 287 Q CA 2.575 58.317 55.803 -0.103 0.000 0.856 287 Q CB -0.327 28.285 28.738 -0.210 0.000 0.902 287 Q HN 0.782 nan 8.270 nan 0.000 0.425 288 S N -1.275 114.431 115.700 0.010 0.000 2.474 288 S HA -0.081 4.390 4.470 0.001 0.000 0.235 288 S C 1.081 175.619 174.600 -0.103 0.000 0.997 288 S CA 0.568 58.738 58.200 -0.050 0.000 0.949 288 S CB -0.264 62.886 63.200 -0.083 0.000 0.766 288 S HN 0.452 nan 8.310 nan 0.000 0.517 289 F N 1.629 121.550 119.950 -0.048 0.000 2.664 289 F HA 0.425 4.953 4.527 0.001 0.000 0.303 289 F C 1.736 177.513 175.800 -0.038 0.000 1.092 289 F CA -0.064 57.914 58.000 -0.038 0.000 1.305 289 F CB 0.169 39.144 39.000 -0.041 0.000 1.054 289 F HN 0.333 nan 8.300 nan 0.000 0.565 290 G N 1.450 110.310 108.800 0.099 0.000 2.283 290 G HA2 -0.146 3.814 3.960 0.001 0.000 0.280 290 G HA3 -0.146 3.814 3.960 0.001 0.000 0.280 290 G C 0.126 175.055 174.900 0.048 0.000 1.029 290 G CA 0.213 45.343 45.100 0.049 0.000 0.840 290 G HN 0.642 nan 8.290 nan 0.000 0.505 291 A N 0.312 123.159 122.820 0.044 0.000 2.317 291 A HA 0.897 5.218 4.320 0.001 0.000 0.327 291 A C -1.746 175.810 177.584 -0.047 0.000 1.178 291 A CA -1.579 50.458 52.037 0.000 0.000 0.817 291 A CB 1.792 20.775 19.000 -0.028 0.000 1.189 291 A HN 0.186 nan 8.150 nan 0.000 0.489 292 P HA 0.407 nan 4.420 nan 0.000 0.281 292 P C -0.166 177.080 177.300 -0.089 0.000 1.249 292 P CA -0.181 62.892 63.100 -0.046 0.000 0.810 292 P CB 1.249 32.974 31.700 0.043 0.000 1.008 293 V N -0.885 118.908 119.914 -0.202 0.000 3.093 293 V HA 0.843 4.964 4.120 0.001 0.000 0.320 293 V C -0.764 175.298 176.094 -0.053 0.000 1.093 293 V CA -0.808 61.316 62.300 -0.292 0.000 1.016 293 V CB 1.959 33.418 31.823 -0.607 0.000 1.096 293 V HN 0.792 nan 8.190 nan 0.000 0.452 294 W N -0.296 120.939 121.300 -0.108 0.000 3.118 294 W HA 0.577 5.238 4.660 0.001 0.000 0.328 294 W C -1.260 175.432 176.519 0.289 0.000 1.239 294 W CA -1.428 56.021 57.345 0.174 0.000 1.176 294 W CB 1.034 30.576 29.460 0.135 0.000 1.433 294 W HN 0.847 nan 8.180 nan 0.000 0.562 295 C N 3.436 123.124 119.300 0.646 0.000 2.520 295 C HA 0.571 5.031 4.460 0.001 0.000 0.369 295 C C 1.303 176.421 174.990 0.214 0.000 1.244 295 C CA 0.704 59.934 59.018 0.354 0.000 1.677 295 C CB -1.316 26.550 27.740 0.210 0.000 2.324 295 C HN 0.765 nan 8.230 nan 0.000 0.557 296 G N 4.335 113.062 108.800 -0.121 0.000 2.634 296 G HA2 0.547 4.507 3.960 0.001 0.000 0.255 296 G HA3 0.547 4.507 3.960 0.001 0.000 0.255 296 G C 0.131 175.038 174.900 0.011 0.000 1.205 296 G CA 0.238 45.275 45.100 -0.106 0.000 0.884 296 G HN 1.165 nan 8.290 nan 0.000 0.549 297 G N -1.036 107.774 108.800 0.017 0.000 2.569 297 G HA2 0.522 4.482 3.960 0.001 0.000 0.300 297 G HA3 0.522 4.482 3.960 0.001 0.000 0.300 297 G C -0.274 174.557 174.900 -0.116 0.000 1.269 297 G CA -0.654 44.425 45.100 -0.036 0.000 0.959 297 G HN 0.412 nan 8.290 nan 0.000 0.478 298 M N 1.845 121.359 119.600 -0.142 0.000 3.637 298 M HA 0.284 4.764 4.480 0.001 0.000 0.452 298 M C 0.403 176.619 176.300 -0.140 0.000 1.718 298 M CA -0.188 55.007 55.300 -0.175 0.000 0.690 298 M CB 0.076 32.565 32.600 -0.185 0.000 1.448 298 M HN 0.614 nan 8.290 nan 0.000 0.524 299 L N 1.267 122.358 121.223 -0.220 0.000 3.678 299 L HA -0.261 4.080 4.340 0.001 0.000 0.425 299 L C -0.229 176.629 176.870 -0.021 0.000 1.240 299 L CA 0.525 55.192 54.840 -0.288 0.000 0.876 299 L CB -0.735 41.222 42.059 -0.170 0.000 1.766 299 L HN 0.420 nan 8.230 nan 0.000 0.917 300 E N -0.087 120.103 120.200 -0.017 0.000 2.390 300 E HA 0.295 4.646 4.350 0.001 0.000 0.261 300 E C 0.725 177.521 176.600 0.327 0.000 1.076 300 E CA 0.559 57.033 56.400 0.123 0.000 0.905 300 E CB 0.729 30.461 29.700 0.053 0.000 0.984 300 E HN 0.411 nan 8.360 nan 0.000 0.427 301 S N 0.725 116.535 115.700 0.184 0.000 2.625 301 S HA 0.220 4.690 4.470 0.001 0.000 0.258 301 S C 1.447 176.077 174.600 0.049 0.000 1.256 301 S CA -0.261 57.913 58.200 -0.043 0.000 0.983 301 S CB 0.733 63.752 63.200 -0.301 0.000 1.032 301 S HN 0.578 nan 8.310 nan 0.000 0.572 302 G N -0.058 108.733 108.800 -0.015 0.000 2.443 302 G HA2 -0.044 3.917 3.960 0.001 0.000 0.219 302 G HA3 -0.044 3.917 3.960 0.001 0.000 0.219 302 G C 1.251 176.175 174.900 0.040 0.000 1.131 302 G CA 0.607 45.732 45.100 0.041 0.000 0.775 302 G HN 0.542 nan 8.290 nan 0.000 0.547 303 I N 2.006 122.594 120.570 0.030 0.000 2.058 303 I HA -0.132 4.038 4.170 0.001 0.000 0.235 303 I C 3.090 179.310 176.117 0.173 0.000 1.053 303 I CA 1.617 62.962 61.300 0.074 0.000 1.313 303 I CB -1.610 36.435 38.000 0.076 0.000 1.039 303 I HN 0.219 nan 8.210 nan 0.000 0.396 304 G N 0.230 109.121 108.800 0.153 0.000 2.476 304 G HA2 -0.324 3.637 3.960 0.001 0.000 0.218 304 G HA3 -0.324 3.637 3.960 0.001 0.000 0.218 304 G C 1.934 176.917 174.900 0.140 0.000 1.164 304 G CA 1.099 46.291 45.100 0.153 0.000 0.768 304 G HN 0.333 nan 8.290 nan 0.000 0.560 305 R N 0.487 121.051 120.500 0.106 0.000 2.091 305 R HA -0.015 4.326 4.340 0.001 0.000 0.238 305 R C 2.882 179.238 176.300 0.094 0.000 1.136 305 R CA 1.570 57.725 56.100 0.092 0.000 0.959 305 R CB -0.371 29.992 30.300 0.105 0.000 0.856 305 R HN 0.317 nan 8.270 nan 0.000 0.437 306 A N 0.098 122.968 122.820 0.084 0.000 1.930 306 A HA -0.166 4.154 4.320 0.001 0.000 0.217 306 A C 1.851 179.493 177.584 0.097 0.000 1.175 306 A CA 1.339 53.418 52.037 0.070 0.000 0.627 306 A CB -0.730 18.265 19.000 -0.008 0.000 0.815 306 A HN 0.429 nan 8.150 nan 0.000 0.443 307 H N 0.134 119.269 119.070 0.107 0.000 2.353 307 H HA -0.095 4.462 4.556 0.001 0.000 0.300 307 H C 1.870 177.301 175.328 0.173 0.000 1.090 307 H CA 1.704 57.849 56.048 0.163 0.000 1.327 307 H CB -0.109 29.756 29.762 0.170 0.000 1.383 307 H HN 0.442 nan 8.280 nan 0.000 0.508 308 N N 0.850 119.672 118.700 0.204 0.000 2.084 308 N HA -0.100 4.640 4.740 0.001 0.000 0.190 308 N C 2.249 177.752 175.510 -0.011 0.000 1.030 308 N CA 0.728 53.824 53.050 0.077 0.000 0.849 308 N CB -0.472 38.043 38.487 0.047 0.000 1.012 308 N HN 0.334 nan 8.380 nan 0.000 0.423 309 I N 0.706 121.281 120.570 0.007 0.000 2.208 309 I HA -0.285 3.886 4.170 0.001 0.000 0.245 309 I C 2.186 178.203 176.117 -0.167 0.000 1.097 309 I CA 1.165 62.417 61.300 -0.080 0.000 1.363 309 I CB -0.384 37.578 38.000 -0.063 0.000 1.051 309 I HN 0.284 nan 8.210 nan 0.000 0.413 310 H N 0.079 119.073 119.070 -0.127 0.000 2.353 310 H HA -0.159 4.397 4.556 0.001 0.000 0.300 310 H C 2.201 177.386 175.328 -0.237 0.000 1.090 310 H CA 1.695 57.638 56.048 -0.175 0.000 1.327 310 H CB -0.040 29.606 29.762 -0.193 0.000 1.383 310 H HN 0.239 nan 8.280 nan 0.000 0.508 311 L N 0.814 121.974 121.223 -0.104 0.000 2.093 311 L HA -0.096 4.245 4.340 0.001 0.000 0.208 311 L C 2.197 178.706 176.870 -0.602 0.000 1.085 311 L CA 1.331 56.040 54.840 -0.218 0.000 0.755 311 L CB -0.494 41.555 42.059 -0.016 0.000 0.904 311 L HN -0.050 nan 8.230 nan 0.000 0.435 312 S N -0.978 114.280 115.700 -0.737 0.000 2.500 312 S HA -0.151 4.320 4.470 0.001 0.000 0.239 312 S C 1.713 175.978 174.600 -0.560 0.000 0.989 312 S CA 1.257 58.821 58.200 -1.061 0.000 0.951 312 S CB -0.842 62.049 63.200 -0.515 0.000 0.759 312 S HN 0.802 nan 8.310 nan 0.000 0.523 313 T N -0.529 113.808 114.554 -0.361 0.000 3.118 313 T HA 0.179 4.529 4.350 0.001 0.000 0.260 313 T C 0.465 175.076 174.700 -0.149 0.000 1.139 313 T CA -0.051 61.921 62.100 -0.214 0.000 1.085 313 T CB -0.348 68.397 68.868 -0.205 0.000 0.934 313 T HN -0.016 nan 8.240 nan 0.000 0.518 314 L N 2.975 124.134 121.223 -0.107 0.000 2.452 314 L HA 0.295 4.636 4.340 0.001 0.000 0.267 314 L C 1.790 178.828 176.870 0.280 0.000 1.188 314 L CA 0.269 55.120 54.840 0.019 0.000 0.821 314 L CB 0.989 42.949 42.059 -0.166 0.000 1.102 314 L HN 0.344 nan 8.230 nan 0.000 0.470 315 S N 0.124 115.980 115.700 0.260 0.000 2.522 315 S HA -0.069 4.402 4.470 0.001 0.000 0.227 315 S C 1.174 175.919 174.600 0.241 0.000 0.986 315 S CA 0.690 59.009 58.200 0.197 0.000 0.929 315 S CB -0.469 62.788 63.200 0.095 0.000 0.769 315 S HN 0.753 nan 8.310 nan 0.000 0.529 316 N N -0.110 118.813 118.700 0.372 0.000 2.322 316 N HA 0.134 4.874 4.740 0.001 0.000 0.194 316 N C -0.989 174.506 175.510 -0.025 0.000 1.126 316 N CA -0.209 52.814 53.050 -0.045 0.000 0.845 316 N CB 0.042 38.157 38.487 -0.620 0.000 0.976 316 N HN 0.325 nan 8.380 nan 0.000 0.475 317 F N 1.605 121.667 119.950 0.187 0.000 2.652 317 F HA 0.223 4.751 4.527 0.002 0.000 0.352 317 F C 1.197 177.071 175.800 0.124 0.000 1.259 317 F CA -0.129 57.967 58.000 0.160 0.000 1.249 317 F CB 0.305 39.390 39.000 0.141 0.000 1.628 317 F HN -0.099 nan 8.300 nan 0.000 0.654 318 R N 1.647 122.263 120.500 0.193 0.000 2.393 318 R HA 0.322 4.663 4.340 0.001 0.000 0.244 318 R C -0.309 176.079 176.300 0.147 0.000 0.920 318 R CA 0.046 56.233 56.100 0.146 0.000 1.076 318 R CB 0.391 30.743 30.300 0.088 0.000 1.119 318 R HN 0.406 nan 8.270 nan 0.000 0.524 319 L N 1.164 122.511 121.223 0.208 0.000 2.370 319 L HA 0.496 4.837 4.340 0.001 0.000 0.266 319 L C -2.473 174.508 176.870 0.184 0.000 1.002 319 L CA -2.691 52.243 54.840 0.156 0.000 0.818 319 L CB 2.273 44.416 42.059 0.140 0.000 1.325 319 L HN -0.265 nan 8.230 nan 0.000 0.418 320 P HA 0.097 nan 4.420 nan 0.000 0.268 320 P C -0.374 177.026 177.300 0.166 0.000 1.208 320 P CA -0.085 63.075 63.100 0.099 0.000 0.777 320 P CB 0.595 32.314 31.700 0.032 0.000 0.875 321 G N 0.306 109.245 108.800 0.231 0.000 2.537 321 G HA2 0.292 4.253 3.960 0.001 0.000 0.323 321 G HA3 0.292 4.253 3.960 0.001 0.000 0.323 321 G C -0.641 174.413 174.900 0.256 0.000 1.207 321 G CA -0.456 44.859 45.100 0.360 0.000 0.976 321 G HN 0.282 nan 8.290 nan 0.000 0.487 322 D N 0.935 121.523 120.400 0.313 0.000 3.038 322 D HA 0.143 4.783 4.640 0.001 0.000 0.243 322 D C 1.080 177.466 176.300 0.143 0.000 1.245 322 D CA 0.169 54.292 54.000 0.204 0.000 0.871 322 D CB 0.133 41.073 40.800 0.233 0.000 1.089 322 D HN 0.379 nan 8.370 nan 0.000 0.464 323 T N -2.168 112.470 114.554 0.140 0.000 3.278 323 T HA 0.288 4.638 4.350 0.001 0.000 0.246 323 T C 0.684 175.474 174.700 0.150 0.000 1.281 323 T CA -0.773 61.395 62.100 0.113 0.000 1.281 323 T CB -0.053 68.860 68.868 0.075 0.000 1.064 323 T HN -0.005 nan 8.240 nan 0.000 0.628 324 S N 1.298 117.121 115.700 0.205 0.000 2.641 324 S HA 0.459 4.930 4.470 0.001 0.000 0.261 324 S C 0.412 175.176 174.600 0.275 0.000 1.257 324 S CA -0.719 57.641 58.200 0.266 0.000 0.983 324 S CB 0.227 63.581 63.200 0.256 0.000 0.990 324 S HN 0.502 nan 8.310 nan 0.000 0.572 325 S N 0.873 116.715 115.700 0.238 0.000 2.563 325 S HA 0.299 4.769 4.470 0.001 0.000 0.294 325 S C 1.557 176.316 174.600 0.265 0.000 1.279 325 S CA -0.161 58.154 58.200 0.191 0.000 1.069 325 S CB 0.417 63.691 63.200 0.123 0.000 0.828 325 S HN 0.962 nan 8.310 nan 0.000 0.497 326 A N 3.527 126.509 122.820 0.270 0.000 1.940 326 A HA -0.131 4.190 4.320 0.001 0.000 0.219 326 A C 2.308 180.080 177.584 0.313 0.000 1.176 326 A CA 1.793 54.062 52.037 0.387 0.000 0.631 326 A CB -1.062 18.152 19.000 0.356 0.000 0.814 326 A HN 0.940 nan 8.150 nan 0.000 0.446 327 S N -0.066 115.737 115.700 0.170 0.000 2.469 327 S HA -0.174 4.296 4.470 0.001 0.000 0.238 327 S C 1.776 176.357 174.600 -0.031 0.000 0.998 327 S CA 1.097 59.349 58.200 0.086 0.000 0.957 327 S CB -0.483 62.750 63.200 0.055 0.000 0.764 327 S HN 0.657 nan 8.310 nan 0.000 0.514 328 R N -0.357 120.060 120.500 -0.138 0.000 2.148 328 R HA 0.004 4.345 4.340 0.001 0.000 0.227 328 R C 1.250 177.176 176.300 -0.623 0.000 1.103 328 R CA 1.604 57.443 56.100 -0.435 0.000 0.983 328 R CB -0.290 29.592 30.300 -0.696 0.000 0.874 328 R HN 0.619 nan 8.270 nan 0.000 0.451 329 Y N -2.563 117.568 120.300 -0.283 0.000 2.581 329 Y HA 0.157 4.708 4.550 0.001 0.000 0.271 329 Y C 0.254 175.738 175.900 -0.693 0.000 1.100 329 Y CA -0.569 57.142 58.100 -0.648 0.000 1.281 329 Y CB 0.460 38.274 38.460 -1.077 0.000 1.237 329 Y HN -0.059 nan 8.280 nan 0.000 0.514 330 W N 1.367 122.761 121.300 0.156 0.000 2.702 330 W HA 0.382 5.043 4.660 0.002 0.000 0.331 330 W C 0.694 177.239 176.519 0.042 0.000 1.049 330 W CA -1.043 56.359 57.345 0.094 0.000 1.230 330 W CB 1.289 30.814 29.460 0.107 0.000 1.408 330 W HN -0.104 nan 8.180 nan 0.000 0.492 331 E N 1.151 121.504 120.200 0.255 0.000 2.086 331 E HA -0.203 4.148 4.350 0.001 0.000 0.200 331 E C 0.462 177.125 176.600 0.105 0.000 1.012 331 E CA 1.348 57.831 56.400 0.139 0.000 0.812 331 E CB 0.010 29.777 29.700 0.113 0.000 0.743 331 E HN 0.384 nan 8.360 nan 0.000 0.453 332 R N -0.059 120.518 120.500 0.128 0.000 2.535 332 R HA 0.212 4.552 4.340 0.001 0.000 0.274 332 R C -1.800 174.497 176.300 -0.005 0.000 1.090 332 R CA -0.594 55.469 56.100 -0.061 0.000 0.930 332 R CB 1.491 31.551 30.300 -0.399 0.000 1.223 332 R HN 0.001 nan 8.270 nan 0.000 0.441 333 D N 2.740 123.112 120.400 -0.047 0.000 2.340 333 D HA 0.207 4.847 4.640 0.001 0.000 0.251 333 D C 1.127 177.438 176.300 0.019 0.000 1.080 333 D CA -0.453 53.496 54.000 -0.085 0.000 0.971 333 D CB 1.466 42.251 40.800 -0.025 0.000 1.137 333 D HN 0.563 nan 8.370 nan 0.000 0.475 334 L N 1.393 122.599 121.223 -0.028 0.000 2.622 334 L HA 0.068 4.408 4.340 0.001 0.000 0.233 334 L C 0.837 177.744 176.870 0.062 0.000 1.156 334 L CA 0.430 55.312 54.840 0.070 0.000 0.866 334 L CB -0.628 41.389 42.059 -0.070 0.000 0.980 334 L HN 0.334 nan 8.230 nan 0.000 0.448 335 I N -5.329 115.254 120.570 0.022 0.000 2.910 335 I HA 0.241 4.412 4.170 0.001 0.000 0.310 335 I C 0.759 176.883 176.117 0.011 0.000 1.043 335 I CA -0.796 60.514 61.300 0.016 0.000 1.053 335 I CB 1.291 39.293 38.000 0.004 0.000 1.242 335 I HN -0.177 nan 8.210 nan 0.000 0.452 336 Q N 0.538 120.344 119.800 0.009 0.000 2.245 336 Q HA 0.043 4.383 4.340 0.001 0.000 0.201 336 Q C -0.350 175.649 176.000 -0.002 0.000 0.955 336 Q CA 0.961 56.765 55.803 0.001 0.000 0.870 336 Q CB 0.072 28.812 28.738 0.004 0.000 0.945 336 Q HN 0.621 nan 8.270 nan 0.000 0.461 337 E N 1.924 122.127 120.200 0.004 0.000 2.259 337 E HA 0.146 4.497 4.350 0.001 0.000 0.281 337 E C -2.365 174.246 176.600 0.019 0.000 1.027 337 E CA -2.109 54.296 56.400 0.009 0.000 0.838 337 E CB 0.699 30.405 29.700 0.011 0.000 1.066 337 E HN 0.022 nan 8.360 nan 0.000 0.401 338 P HA 0.138 nan 4.420 nan 0.000 0.281 338 P C -0.823 176.503 177.300 0.044 0.000 1.252 338 P CA -0.230 62.891 63.100 0.035 0.000 0.778 338 P CB 0.692 32.407 31.700 0.025 0.000 0.895 339 L N 3.611 124.875 121.223 0.069 0.000 2.371 339 L HA 0.325 4.665 4.340 0.001 0.000 0.262 339 L C 0.409 177.329 176.870 0.082 0.000 1.054 339 L CA -0.206 54.676 54.840 0.071 0.000 0.924 339 L CB 0.518 42.631 42.059 0.090 0.000 1.295 339 L HN 0.196 nan 8.230 nan 0.000 0.441 340 E N 2.566 122.798 120.200 0.055 0.000 2.165 340 E HA 0.496 4.846 4.350 0.001 0.000 0.266 340 E C -0.385 176.231 176.600 0.026 0.000 0.889 340 E CA -0.459 55.971 56.400 0.049 0.000 0.756 340 E CB 2.451 32.171 29.700 0.033 0.000 1.131 340 E HN 0.462 nan 8.360 nan 0.000 0.411 341 A N 2.571 125.409 122.820 0.031 0.000 2.388 341 A HA 0.450 4.770 4.320 0.001 0.000 0.257 341 A C -0.138 177.405 177.584 -0.068 0.000 1.095 341 A CA -0.376 51.653 52.037 -0.014 0.000 0.791 341 A CB 0.595 19.596 19.000 0.001 0.000 1.029 341 A HN 0.341 nan 8.150 nan 0.000 0.489 342 V N 2.681 122.541 119.914 -0.089 0.000 2.482 342 V HA 0.361 4.481 4.120 0.001 0.000 0.295 342 V C -0.057 175.959 176.094 -0.130 0.000 1.026 342 V CA 0.346 62.585 62.300 -0.101 0.000 0.856 342 V CB 1.130 32.918 31.823 -0.059 0.000 1.001 342 V HN 1.171 nan 8.190 nan 0.000 0.424 343 D N 4.342 124.635 120.400 -0.178 0.000 2.800 343 D HA -0.161 4.480 4.640 0.001 0.000 0.232 343 D C 1.164 177.351 176.300 -0.187 0.000 1.137 343 D CA 2.088 55.988 54.000 -0.167 0.000 0.718 343 D CB -1.049 39.694 40.800 -0.094 0.000 1.084 343 D HN 1.603 nan 8.370 nan 0.000 0.432 344 G N -1.403 107.215 108.800 -0.303 0.000 2.148 344 G HA2 -0.267 3.694 3.960 0.001 0.000 0.254 344 G HA3 -0.267 3.694 3.960 0.001 0.000 0.254 344 G C 0.189 175.036 174.900 -0.089 0.000 0.981 344 G CA 0.389 45.350 45.100 -0.232 0.000 0.670 344 G HN 0.604 nan 8.290 nan 0.000 0.528 345 L N -0.423 120.749 121.223 -0.085 0.000 2.356 345 L HA 0.766 5.106 4.340 0.001 0.000 0.277 345 L C 0.005 176.855 176.870 -0.033 0.000 0.996 345 L CA -1.113 53.702 54.840 -0.041 0.000 0.822 345 L CB 1.943 43.978 42.059 -0.039 0.000 1.256 345 L HN 0.149 nan 8.230 nan 0.000 0.413 346 M N 6.887 126.477 119.600 -0.016 0.000 2.101 346 M HA 0.502 4.982 4.480 0.001 0.000 0.340 346 M C -2.527 173.752 176.300 -0.034 0.000 1.057 346 M CA -2.174 53.119 55.300 -0.012 0.000 0.984 346 M CB 1.268 33.874 32.600 0.011 0.000 1.560 346 M HN 0.086 nan 8.290 nan 0.000 0.435 347 P HA 0.091 nan 4.420 nan 0.000 0.271 347 P C -0.851 176.403 177.300 -0.077 0.000 1.218 347 P CA -0.283 62.788 63.100 -0.050 0.000 0.780 347 P CB 0.473 32.152 31.700 -0.035 0.000 0.901 348 V N 5.395 125.237 119.914 -0.120 0.000 2.470 348 V HA 0.104 4.225 4.120 0.001 0.000 0.276 348 V C -1.580 174.440 176.094 -0.124 0.000 1.040 348 V CA -1.177 60.996 62.300 -0.211 0.000 1.008 348 V CB -0.062 31.565 31.823 -0.326 0.000 0.990 348 V HN 0.595 nan 8.190 nan 0.000 0.477 349 P HA 0.108 nan 4.420 nan 0.000 0.267 349 P C -0.502 176.829 177.300 0.052 0.000 1.209 349 P CA -0.225 62.888 63.100 0.021 0.000 0.763 349 P CB 0.400 32.141 31.700 0.067 0.000 0.816 350 Q N 1.958 121.770 119.800 0.021 0.000 2.354 350 Q HA 0.566 4.906 4.340 0.001 0.000 0.244 350 Q C 0.251 176.265 176.000 0.024 0.000 0.969 350 Q CA -0.372 55.443 55.803 0.020 0.000 0.885 350 Q CB 0.623 29.362 28.738 0.002 0.000 1.241 350 Q HN 0.761 nan 8.270 nan 0.000 0.461 351 G N 0.983 109.793 108.800 0.017 0.000 2.357 351 G HA2 0.041 4.002 3.960 0.001 0.000 0.643 351 G HA3 0.041 4.002 3.960 0.001 0.000 0.643 351 G C -3.044 171.844 174.900 -0.021 0.000 1.358 351 G CA -0.668 44.428 45.100 -0.007 0.000 0.986 351 G HN 0.685 nan 8.290 nan 0.000 0.620 352 P HA 0.444 nan 4.420 nan 0.000 0.272 352 P C 1.328 178.551 177.300 -0.128 0.000 1.223 352 P CA 1.630 64.681 63.100 -0.082 0.000 0.784 352 P CB 0.806 32.457 31.700 -0.082 0.000 0.923 353 G N 2.336 111.036 108.800 -0.166 0.000 2.611 353 G HA2 -0.364 3.597 3.960 0.001 0.000 0.301 353 G HA3 -0.364 3.597 3.960 0.001 0.000 0.301 353 G C 1.123 175.733 174.900 -0.483 0.000 1.233 353 G CA 1.248 46.203 45.100 -0.240 0.000 0.993 353 G HN 0.700 nan 8.290 nan 0.000 0.553 354 T N -0.988 113.265 114.554 -0.502 0.000 2.962 354 T HA 0.331 4.681 4.350 0.001 0.000 0.270 354 T C 2.692 177.196 174.700 -0.325 0.000 1.088 354 T CA 1.893 63.587 62.100 -0.676 0.000 1.127 354 T CB -0.370 68.185 68.868 -0.520 0.000 0.883 354 T HN 2.797 nan 8.240 nan 0.000 0.493 355 G N 0.698 109.393 108.800 -0.175 0.000 2.143 355 G HA2 -0.166 3.795 3.960 0.001 0.000 0.248 355 G HA3 -0.166 3.795 3.960 0.001 0.000 0.248 355 G C 0.155 175.044 174.900 -0.019 0.000 0.991 355 G CA 0.461 45.543 45.100 -0.030 0.000 0.689 355 G HN 1.623 nan 8.290 nan 0.000 0.522 356 V N -3.701 116.181 119.914 -0.054 0.000 3.074 356 V HA 1.018 5.138 4.120 0.001 0.000 0.314 356 V C -0.163 175.909 176.094 -0.036 0.000 1.117 356 V CA -0.198 62.082 62.300 -0.032 0.000 1.014 356 V CB 2.233 34.041 31.823 -0.024 0.000 1.057 356 V HN 0.719 nan 8.190 nan 0.000 0.438 357 T N 2.625 117.168 114.554 -0.017 0.000 2.928 357 T HA 0.545 4.896 4.350 0.001 0.000 0.296 357 T C -0.454 174.248 174.700 0.003 0.000 1.000 357 T CA -0.429 61.665 62.100 -0.009 0.000 0.989 357 T CB 1.255 70.121 68.868 -0.004 0.000 1.005 357 T HN 0.794 nan 8.240 nan 0.000 0.442 358 L N 2.700 123.927 121.223 0.006 0.000 2.525 358 L HA 0.112 4.453 4.340 0.001 0.000 0.278 358 L C 0.619 177.510 176.870 0.034 0.000 1.218 358 L CA -0.085 54.766 54.840 0.018 0.000 0.878 358 L CB 0.290 42.358 42.059 0.015 0.000 1.127 358 L HN 0.675 nan 8.230 nan 0.000 0.492 359 D N 3.566 124.002 120.400 0.059 0.000 2.453 359 D HA 0.053 4.694 4.640 0.001 0.000 0.223 359 D C 1.110 177.463 176.300 0.088 0.000 1.183 359 D CA -0.286 53.765 54.000 0.085 0.000 0.933 359 D CB 0.613 41.490 40.800 0.128 0.000 1.038 359 D HN 0.265 nan 8.370 nan 0.000 0.513 360 R N 2.455 122.988 120.500 0.055 0.000 2.120 360 R HA -0.132 4.208 4.340 0.001 0.000 0.234 360 R C 1.473 177.794 176.300 0.035 0.000 1.123 360 R CA 0.782 56.904 56.100 0.036 0.000 0.975 360 R CB -0.281 30.038 30.300 0.032 0.000 0.866 360 R HN 0.420 nan 8.270 nan 0.000 0.446 361 E N 0.300 120.537 120.200 0.061 0.000 2.072 361 E HA -0.114 4.236 4.350 0.001 0.000 0.190 361 E C 1.612 178.269 176.600 0.095 0.000 0.982 361 E CA 0.760 57.198 56.400 0.064 0.000 0.803 361 E CB -0.354 29.386 29.700 0.066 0.000 0.755 361 E HN 0.203 nan 8.360 nan 0.000 0.453 362 F N 0.531 120.476 119.950 -0.007 0.000 2.146 362 F HA -0.074 4.453 4.527 0.000 0.000 0.298 362 F C 1.961 177.751 175.800 -0.016 0.000 1.096 362 F CA 1.211 59.205 58.000 -0.010 0.000 1.275 362 F CB -0.610 38.380 39.000 -0.016 0.000 1.008 362 F HN 0.194 nan 8.300 nan 0.000 0.480 363 L N 1.194 122.302 121.223 -0.193 0.000 2.042 363 L HA -0.077 4.263 4.340 0.001 0.000 0.210 363 L C 2.435 179.161 176.870 -0.241 0.000 1.076 363 L CA 2.150 56.822 54.840 -0.279 0.000 0.749 363 L CB -1.483 40.511 42.059 -0.107 0.000 0.893 363 L HN 0.163 nan 8.230 nan 0.000 0.432 364 A N -1.006 121.732 122.820 -0.136 0.000 1.917 364 A HA -0.305 4.016 4.320 0.001 0.000 0.219 364 A C 2.419 179.929 177.584 -0.125 0.000 1.182 364 A CA 2.595 54.574 52.037 -0.097 0.000 0.633 364 A CB -1.538 17.435 19.000 -0.045 0.000 0.819 364 A HN 0.663 nan 8.150 nan 0.000 0.448 365 T N -2.096 112.355 114.554 -0.172 0.000 3.007 365 T HA 0.034 4.385 4.350 0.001 0.000 0.270 365 T C 1.043 175.626 174.700 -0.194 0.000 1.107 365 T CA 1.667 63.678 62.100 -0.148 0.000 1.118 365 T CB -0.427 68.391 68.868 -0.083 0.000 0.889 365 T HN 0.960 nan 8.240 nan 0.000 0.506 366 V N -2.353 117.384 119.914 -0.295 0.000 3.252 366 V HA 0.427 4.548 4.120 0.001 0.000 0.320 366 V C 0.323 176.322 176.094 -0.159 0.000 1.459 366 V CA -0.619 61.542 62.300 -0.232 0.000 1.095 366 V CB -0.400 31.213 31.823 -0.350 0.000 0.997 366 V HN 0.195 nan 8.190 nan 0.000 0.469 367 T N 2.683 117.154 114.554 -0.138 0.000 2.779 367 T HA 0.247 4.598 4.350 0.001 0.000 0.296 367 T C 0.956 175.617 174.700 -0.065 0.000 0.938 367 T CA 0.208 62.253 62.100 -0.092 0.000 1.119 367 T CB 1.076 69.898 68.868 -0.076 0.000 0.891 367 T HN 0.453 nan 8.240 nan 0.000 0.526 368 E N 1.636 121.805 120.200 -0.052 0.000 2.276 368 E HA 0.291 4.641 4.350 0.001 0.000 0.193 368 E C 0.609 177.190 176.600 -0.032 0.000 0.983 368 E CA 0.197 56.572 56.400 -0.042 0.000 0.861 368 E CB 0.403 30.081 29.700 -0.038 0.000 0.817 368 E HN 0.704 nan 8.360 nan 0.000 0.485 369 A N 0.957 123.759 122.820 -0.029 0.000 2.577 369 A HA 0.540 4.861 4.320 0.001 0.000 0.297 369 A C -1.349 176.225 177.584 -0.016 0.000 1.060 369 A CA -0.760 51.264 52.037 -0.021 0.000 0.697 369 A CB 1.421 20.413 19.000 -0.014 0.000 1.281 369 A HN 0.046 nan 8.150 nan 0.000 0.402 370 Q N 0.699 120.490 119.800 -0.016 0.000 2.482 370 Q HA 0.793 5.134 4.340 0.001 0.000 0.286 370 Q C -1.147 174.841 176.000 -0.021 0.000 1.007 370 Q CA -0.622 55.175 55.803 -0.009 0.000 0.801 370 Q CB 1.908 30.640 28.738 -0.010 0.000 1.455 370 Q HN 0.929 nan 8.270 nan 0.000 0.398 371 E N 0.288 120.476 120.200 -0.021 0.000 2.390 371 E HA 0.456 4.806 4.350 0.001 0.000 0.280 371 E C -1.512 175.025 176.600 -0.105 0.000 0.992 371 E CA -0.970 55.377 56.400 -0.089 0.000 0.790 371 E CB 2.157 31.787 29.700 -0.116 0.000 1.248 371 E HN 0.675 nan 8.360 nan 0.000 0.447 372 E N 1.555 121.635 120.200 -0.201 0.000 2.234 372 E HA 0.279 4.630 4.350 0.001 0.000 0.266 372 E C -1.258 175.179 176.600 -0.272 0.000 0.877 372 E CA -0.721 55.602 56.400 -0.128 0.000 0.758 372 E CB 1.237 30.902 29.700 -0.058 0.000 1.170 372 E HN 0.484 nan 8.360 nan 0.000 0.415 373 H N 3.622 122.717 119.070 0.041 0.000 2.469 373 H HA 0.497 5.054 4.556 0.001 0.000 0.342 373 H C -0.198 175.158 175.328 0.047 0.000 1.115 373 H CA -0.744 55.327 56.048 0.038 0.000 1.204 373 H CB 1.485 31.272 29.762 0.041 0.000 1.492 373 H HN 0.334 nan 8.280 nan 0.000 0.499 374 R N 0.922 121.503 120.500 0.134 0.000 2.854 374 R HA 0.578 4.918 4.340 0.001 0.000 0.271 374 R C 0.036 176.388 176.300 0.088 0.000 0.996 374 R CA -0.760 55.396 56.100 0.093 0.000 0.961 374 R CB 2.447 32.775 30.300 0.047 0.000 1.182 374 R HN 0.811 nan 8.270 nan 0.000 0.479 375 A N 0.000 122.866 122.820 0.077 0.000 2.254 375 A HA 0.000 4.321 4.320 0.001 0.000 0.244 375 A CA 0.000 52.074 52.037 0.061 0.000 0.836 375 A CB 0.000 19.025 19.000 0.041 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486