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 1lot_1_A DATA FIRST_RESID 1 DATA SEQUENCE LERGRDYEKN KVcKEFSHLG KEDFTSLSLV LYSRKFPSGT FEQVSQLVKE DATA SEQUENCE VVSLTEAccA EGADPDcYDT RTSALSAKSC ESNSPFPVHP XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XHQPQEFPTY VEPTNDEIcE AFRKDPKEYA NQFMWEYSTN DATA SEQUENCE YGQAPLSLLV SYTKSYLSMV GSccTSASPT VcFLKERLQL KHLSLLTTLS DATA SEQUENCE NRVcSQYAAY GEKKSRLSNL IKLAQKVPTA DLEDVLPLAE DITNILSKcc DATA SEQUENCE ESASEDcMAK ELPEHTVKLc DNLSTKNSKF EDccQEKTAM DVFVcTYFMP DATA SEQUENCE AAQLPELPDV ELPTNKDVcD PGNTKVMDKY TFELSRRTHL PEVFLSKVLE DATA SEQUENCE PTLKSLGECc DVEDSTTCFN AKGPLLKKEL SSFIDKGQEL cADYSENTFT DATA SEQUENCE EYKKKLAERL KAKLPDATPT ELAKLVNKRS DFASNccSIN SPPLYcDSEI DATA SEQUENCE DAELKNI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.698 176.870 -0.287 0.000 1.165 1 L CA 0.000 54.752 54.840 -0.146 0.000 0.813 1 L CB 0.000 41.975 42.059 -0.141 0.000 0.961 2 E N 1.763 121.692 120.200 -0.453 0.000 2.476 2 E HA 0.053 4.403 4.350 -0.000 0.000 0.191 2 E C 1.136 177.457 176.600 -0.464 0.000 1.064 2 E CA -0.001 55.848 56.400 -0.919 0.000 0.866 2 E CB -0.071 29.041 29.700 -0.980 0.000 0.952 2 E HN 0.372 nan 8.360 nan 0.000 0.492 3 R N 0.929 121.290 120.500 -0.231 0.000 2.438 3 R HA -0.106 4.234 4.340 -0.000 0.000 0.227 3 R C 2.088 178.361 176.300 -0.045 0.000 1.153 3 R CA 0.624 56.661 56.100 -0.106 0.000 1.059 3 R CB -0.848 29.411 30.300 -0.069 0.000 0.831 3 R HN 0.274 nan 8.270 nan 0.000 0.487 4 G N 1.291 110.077 108.800 -0.023 0.000 2.606 4 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.221 4 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.221 4 G C 0.754 175.694 174.900 0.067 0.000 1.152 4 G CA 1.400 46.552 45.100 0.088 0.000 0.765 4 G HN 0.476 nan 8.290 nan 0.000 0.595 5 R N -1.919 118.618 120.500 0.063 0.000 3.749 5 R HA -0.176 4.164 4.340 -0.000 0.000 0.476 5 R C 0.444 176.773 176.300 0.049 0.000 0.814 5 R CA 1.582 57.710 56.100 0.047 0.000 1.494 5 R CB -1.358 28.960 30.300 0.030 0.000 2.164 5 R HN 0.465 nan 8.270 nan 0.000 0.473 6 D N -1.940 118.493 120.400 0.055 0.000 2.480 6 D HA 0.074 4.714 4.640 -0.000 0.000 0.276 6 D C 0.519 176.813 176.300 -0.011 0.000 1.294 6 D CA -0.149 53.852 54.000 0.003 0.000 0.829 6 D CB -0.044 40.747 40.800 -0.014 0.000 1.242 6 D HN 0.139 nan 8.370 nan 0.000 0.513 7 Y N 2.450 122.712 120.300 -0.063 0.000 2.030 7 Y HA -0.320 4.230 4.550 -0.000 0.000 0.272 7 Y C 1.929 177.776 175.900 -0.089 0.000 1.185 7 Y CA 2.173 60.238 58.100 -0.059 0.000 1.120 7 Y CB 0.165 38.607 38.460 -0.031 0.000 0.955 7 Y HN -0.123 nan 8.280 nan 0.000 0.495 8 E N 0.628 120.766 120.200 -0.104 0.000 2.048 8 E HA -0.308 4.042 4.350 -0.000 0.000 0.202 8 E C 2.245 178.580 176.600 -0.442 0.000 1.021 8 E CA 1.869 58.138 56.400 -0.219 0.000 0.825 8 E CB -0.657 29.024 29.700 -0.032 0.000 0.756 8 E HN 0.581 nan 8.360 nan 0.000 0.454 9 K N 0.659 120.660 120.400 -0.666 0.000 2.044 9 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 9 K C 1.682 178.008 176.600 -0.457 0.000 1.049 9 K CA 1.576 57.290 56.287 -0.955 0.000 0.927 9 K CB -0.055 31.968 32.500 -0.795 0.000 0.713 9 K HN 0.019 nan 8.250 nan 0.000 0.443 10 N N 0.934 119.448 118.700 -0.310 0.000 2.459 10 N HA -0.134 4.606 4.740 -0.000 0.000 0.181 10 N C 1.571 176.955 175.510 -0.210 0.000 1.046 10 N CA 0.794 53.722 53.050 -0.203 0.000 0.904 10 N CB 0.049 38.456 38.487 -0.134 0.000 0.964 10 N HN 0.365 nan 8.380 nan 0.000 0.444 11 K N 1.485 121.693 120.400 -0.320 0.000 1.991 11 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 11 K C 2.085 178.624 176.600 -0.102 0.000 1.045 11 K CA 1.211 57.320 56.287 -0.296 0.000 0.937 11 K CB -0.020 32.176 32.500 -0.507 0.000 0.720 11 K HN 0.005 nan 8.250 nan 0.000 0.438 12 V N -0.144 119.730 119.914 -0.066 0.000 2.343 12 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 12 V C 2.332 178.485 176.094 0.097 0.000 1.051 12 V CA 1.746 64.126 62.300 0.134 0.000 1.036 12 V CB -1.262 30.699 31.823 0.231 0.000 0.654 12 V HN 0.434 nan 8.190 nan 0.000 0.451 13 c N 0.041 118.621 118.600 -0.034 0.000 2.413 13 c HA -0.126 4.444 4.570 -0.000 0.000 0.276 13 c C 2.859 176.981 174.090 0.055 0.000 1.248 13 c CA 1.796 58.106 56.329 -0.032 0.000 1.742 13 c CB -1.129 41.328 42.510 -0.089 0.000 2.017 13 c HN 0.641 nan 8.230 nan 0.000 0.481 14 K N 0.816 121.235 120.400 0.031 0.000 2.063 14 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 14 K C 1.903 178.589 176.600 0.143 0.000 1.048 14 K CA 1.568 57.890 56.287 0.059 0.000 0.928 14 K CB -0.167 32.341 32.500 0.013 0.000 0.713 14 K HN 0.592 nan 8.250 nan 0.000 0.442 15 E N -0.643 119.667 120.200 0.183 0.000 2.077 15 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 15 E C 1.871 178.646 176.600 0.292 0.000 0.989 15 E CA 1.157 57.718 56.400 0.269 0.000 0.800 15 E CB -0.249 29.657 29.700 0.343 0.000 0.746 15 E HN 0.240 nan 8.360 nan 0.000 0.452 16 F N 1.918 121.910 119.950 0.071 0.000 2.091 16 F HA -0.268 4.259 4.527 -0.000 0.000 0.299 16 F C 2.345 178.136 175.800 -0.015 0.000 1.103 16 F CA 1.718 59.639 58.000 -0.132 0.000 1.228 16 F CB -0.060 38.685 39.000 -0.426 0.000 0.984 16 F HN -0.122 nan 8.300 nan 0.000 0.477 17 S N -1.468 114.354 115.700 0.203 0.000 2.368 17 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 17 S C 2.010 176.679 174.600 0.116 0.000 1.029 17 S CA 1.243 59.529 58.200 0.142 0.000 0.988 17 S CB -0.797 62.486 63.200 0.138 0.000 0.838 17 S HN 0.642 nan 8.310 nan 0.000 0.462 18 H N 0.976 120.062 119.070 0.027 0.000 2.357 18 H HA 0.077 4.633 4.556 -0.000 0.000 0.301 18 H C 1.817 177.145 175.328 -0.001 0.000 1.082 18 H CA 1.176 57.234 56.048 0.016 0.000 1.342 18 H CB -0.026 29.754 29.762 0.030 0.000 1.389 18 H HN 0.278 nan 8.280 nan 0.000 0.511 19 L N -0.196 120.962 121.223 -0.110 0.000 2.249 19 L HA 0.201 4.541 4.340 -0.000 0.000 0.207 19 L C 1.121 177.898 176.870 -0.154 0.000 1.090 19 L CA 0.447 55.170 54.840 -0.195 0.000 0.802 19 L CB 0.008 42.003 42.059 -0.106 0.000 0.947 19 L HN 0.537 nan 8.230 nan 0.000 0.453 20 G N 0.407 109.077 108.800 -0.217 0.000 2.662 20 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.686 20 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.686 20 G C 0.135 174.774 174.900 -0.435 0.000 1.271 20 G CA 0.035 44.965 45.100 -0.283 0.000 0.816 20 G HN 0.081 nan 8.290 nan 0.000 0.608 21 K N -0.055 120.055 120.400 -0.485 0.000 2.009 21 K HA -0.127 4.193 4.320 -0.000 0.000 0.210 21 K C 2.227 178.780 176.600 -0.078 0.000 1.049 21 K CA 2.096 58.147 56.287 -0.392 0.000 0.929 21 K CB -0.226 32.197 32.500 -0.129 0.000 0.714 21 K HN 0.630 nan 8.250 nan 0.000 0.440 22 E N 0.369 120.543 120.200 -0.044 0.000 2.049 22 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 22 E C 1.479 178.094 176.600 0.024 0.000 1.007 22 E CA 1.932 58.340 56.400 0.013 0.000 0.809 22 E CB -0.002 29.704 29.700 0.009 0.000 0.749 22 E HN 0.381 nan 8.360 nan 0.000 0.450 23 D N -0.244 120.151 120.400 -0.008 0.000 2.178 23 D HA -0.152 4.488 4.640 -0.000 0.000 0.202 23 D C 1.750 178.054 176.300 0.007 0.000 0.974 23 D CA 0.654 54.648 54.000 -0.010 0.000 0.841 23 D CB -0.339 40.433 40.800 -0.047 0.000 0.953 23 D HN 0.236 nan 8.370 nan 0.000 0.478 24 F N 2.063 121.948 119.950 -0.109 0.000 2.186 24 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 24 F C 2.230 178.053 175.800 0.039 0.000 1.090 24 F CA 1.245 59.216 58.000 -0.048 0.000 1.307 24 F CB -0.224 38.710 39.000 -0.111 0.000 1.019 24 F HN -0.169 nan 8.300 nan 0.000 0.489 25 T N -0.769 113.879 114.554 0.157 0.000 2.701 25 T HA -0.176 4.174 4.350 -0.000 0.000 0.263 25 T C 2.173 176.886 174.700 0.021 0.000 1.040 25 T CA 1.692 63.864 62.100 0.121 0.000 1.147 25 T CB -0.655 68.299 68.868 0.144 0.000 0.865 25 T HN 0.219 nan 8.240 nan 0.000 0.426 26 S N 1.402 117.116 115.700 0.024 0.000 2.383 26 S HA -0.057 4.413 4.470 -0.000 0.000 0.229 26 S C 1.946 176.531 174.600 -0.024 0.000 1.030 26 S CA 0.761 58.978 58.200 0.027 0.000 1.002 26 S CB -0.499 62.724 63.200 0.039 0.000 0.829 26 S HN 0.282 nan 8.310 nan 0.000 0.467 27 L N 1.553 122.712 121.223 -0.106 0.000 2.093 27 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 27 L C 2.118 178.873 176.870 -0.191 0.000 1.085 27 L CA 1.630 56.371 54.840 -0.165 0.000 0.755 27 L CB -0.762 41.148 42.059 -0.249 0.000 0.904 27 L HN 0.121 nan 8.230 nan 0.000 0.435 28 S N -0.522 115.039 115.700 -0.233 0.000 2.383 28 S HA -0.115 4.355 4.470 -0.000 0.000 0.227 28 S C 1.783 176.468 174.600 0.142 0.000 1.026 28 S CA 1.286 59.447 58.200 -0.065 0.000 0.981 28 S CB -0.485 62.699 63.200 -0.027 0.000 0.818 28 S HN 0.430 nan 8.310 nan 0.000 0.472 29 L N 1.993 123.278 121.223 0.103 0.000 2.017 29 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 29 L C 2.183 179.143 176.870 0.150 0.000 1.073 29 L CA 1.609 56.549 54.840 0.166 0.000 0.745 29 L CB -0.715 41.438 42.059 0.156 0.000 0.894 29 L HN 0.121 nan 8.230 nan 0.000 0.432 30 V N -0.555 119.394 119.914 0.060 0.000 2.295 30 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 30 V C 2.469 178.540 176.094 -0.039 0.000 1.049 30 V CA 1.653 63.962 62.300 0.015 0.000 1.024 30 V CB -0.737 31.077 31.823 -0.015 0.000 0.648 30 V HN 0.523 nan 8.190 nan 0.000 0.447 31 L N -0.443 120.712 121.223 -0.114 0.000 2.012 31 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 31 L C 2.259 178.917 176.870 -0.352 0.000 1.073 31 L CA 2.203 56.876 54.840 -0.279 0.000 0.748 31 L CB -0.836 40.968 42.059 -0.425 0.000 0.891 31 L HN 0.365 nan 8.230 nan 0.000 0.431 32 Y N -0.894 119.410 120.300 0.007 0.000 2.457 32 Y HA -0.020 4.530 4.550 -0.000 0.000 0.292 32 Y C 2.695 178.691 175.900 0.160 0.000 1.125 32 Y CA 1.135 59.291 58.100 0.092 0.000 1.254 32 Y CB -0.512 38.036 38.460 0.147 0.000 1.012 32 Y HN 0.189 nan 8.280 nan 0.000 0.555 33 S N 0.060 115.900 115.700 0.232 0.000 2.387 33 S HA -0.134 4.336 4.470 -0.000 0.000 0.226 33 S C 2.065 176.694 174.600 0.047 0.000 1.026 33 S CA 1.093 59.426 58.200 0.223 0.000 0.972 33 S CB -0.173 63.143 63.200 0.193 0.000 0.814 33 S HN 0.557 nan 8.310 nan 0.000 0.477 34 R N 1.516 121.977 120.500 -0.066 0.000 2.189 34 R HA 0.133 4.473 4.340 -0.000 0.000 0.218 34 R C 1.949 178.041 176.300 -0.347 0.000 1.074 34 R CA 1.154 57.162 56.100 -0.154 0.000 0.991 34 R CB -0.199 30.002 30.300 -0.165 0.000 0.883 34 R HN 0.219 nan 8.270 nan 0.000 0.457 35 K N 0.385 120.559 120.400 -0.377 0.000 2.116 35 K HA 0.015 4.335 4.320 -0.000 0.000 0.203 35 K C -0.388 175.786 176.600 -0.710 0.000 1.052 35 K CA 0.764 56.638 56.287 -0.688 0.000 0.952 35 K CB 0.255 32.329 32.500 -0.710 0.000 0.729 35 K HN 0.105 nan 8.250 nan 0.000 0.446 36 F N 0.642 120.642 119.950 0.083 0.000 2.449 36 F HA 0.328 4.855 4.527 -0.000 0.000 0.329 36 F C -2.132 173.773 175.800 0.175 0.000 1.245 36 F CA -2.604 55.506 58.000 0.184 0.000 1.193 36 F CB 1.475 40.600 39.000 0.208 0.000 1.425 36 F HN -0.035 nan 8.300 nan 0.000 0.544 37 P HA -0.187 nan 4.420 nan 0.000 0.217 37 P C 1.408 178.796 177.300 0.146 0.000 1.148 37 P CA 1.597 64.779 63.100 0.136 0.000 0.828 37 P CB 0.196 31.965 31.700 0.114 0.000 0.783 38 S N -2.275 113.556 115.700 0.219 0.000 2.556 38 S HA 0.232 4.702 4.470 -0.000 0.000 0.216 38 S C 1.160 175.923 174.600 0.272 0.000 0.970 38 S CA -0.263 58.057 58.200 0.200 0.000 0.912 38 S CB -0.833 62.460 63.200 0.155 0.000 0.790 38 S HN 0.103 nan 8.310 nan 0.000 0.504 39 G N 1.421 110.439 108.800 0.362 0.000 2.406 39 G HA2 0.420 4.380 3.960 -0.000 0.000 0.251 39 G HA3 0.420 4.380 3.960 -0.000 0.000 0.251 39 G C -0.158 175.031 174.900 0.482 0.000 1.271 39 G CA -0.279 45.039 45.100 0.363 0.000 0.859 39 G HN 0.276 nan 8.290 nan 0.000 0.540 40 T N 1.760 116.474 114.554 0.267 0.000 2.860 40 T HA 0.045 4.395 4.350 -0.000 0.000 0.299 40 T C 1.056 175.642 174.700 -0.190 0.000 1.045 40 T CA -0.138 62.058 62.100 0.160 0.000 1.071 40 T CB 0.884 69.773 68.868 0.035 0.000 0.985 40 T HN 0.402 nan 8.240 nan 0.000 0.537 41 F N 0.843 120.190 119.950 -1.004 0.000 2.333 41 F HA -0.014 4.513 4.527 -0.000 0.000 0.300 41 F C 2.132 177.564 175.800 -0.613 0.000 1.083 41 F CA 1.227 58.318 58.000 -1.515 0.000 1.395 41 F CB -0.090 37.937 39.000 -1.622 0.000 1.056 41 F HN 0.745 nan 8.300 nan 0.000 0.529 42 E N -0.485 119.457 120.200 -0.431 0.000 2.086 42 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 42 E C 2.039 178.484 176.600 -0.258 0.000 0.975 42 E CA 0.695 56.888 56.400 -0.345 0.000 0.813 42 E CB -0.058 29.537 29.700 -0.174 0.000 0.768 42 E HN 0.567 nan 8.360 nan 0.000 0.457 43 Q N 0.168 119.867 119.800 -0.169 0.000 2.079 43 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 43 Q C 2.353 178.313 176.000 -0.068 0.000 0.974 43 Q CA 1.515 57.266 55.803 -0.087 0.000 0.840 43 Q CB 0.045 28.759 28.738 -0.040 0.000 0.898 43 Q HN 0.190 nan 8.270 nan 0.000 0.430 44 V N 0.807 120.670 119.914 -0.086 0.000 2.358 44 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 44 V C 2.201 178.235 176.094 -0.101 0.000 1.047 44 V CA 1.886 64.181 62.300 -0.008 0.000 1.035 44 V CB -0.460 31.466 31.823 0.172 0.000 0.658 44 V HN 0.286 nan 8.190 nan 0.000 0.452 45 S N -0.853 114.680 115.700 -0.278 0.000 2.399 45 S HA -0.208 4.262 4.470 -0.000 0.000 0.231 45 S C 2.026 176.530 174.600 -0.159 0.000 1.022 45 S CA 1.068 59.092 58.200 -0.293 0.000 0.983 45 S CB -0.269 62.587 63.200 -0.573 0.000 0.803 45 S HN 0.526 nan 8.310 nan 0.000 0.480 46 Q N 0.668 120.400 119.800 -0.112 0.000 2.046 46 Q HA 0.013 4.353 4.340 -0.000 0.000 0.200 46 Q C 2.301 178.346 176.000 0.075 0.000 0.975 46 Q CA 0.882 56.692 55.803 0.011 0.000 0.836 46 Q CB -0.816 27.950 28.738 0.047 0.000 0.896 46 Q HN 0.442 nan 8.270 nan 0.000 0.428 47 L N 0.270 121.495 121.223 0.003 0.000 2.046 47 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 47 L C 2.164 178.803 176.870 -0.385 0.000 1.077 47 L CA 1.371 55.995 54.840 -0.359 0.000 0.747 47 L CB -0.621 41.152 42.059 -0.476 0.000 0.896 47 L HN -0.044 nan 8.230 nan 0.000 0.432 48 V N -0.382 119.394 119.914 -0.229 0.000 2.307 48 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 48 V C 2.664 178.735 176.094 -0.039 0.000 1.045 48 V CA 1.559 63.782 62.300 -0.128 0.000 1.024 48 V CB -0.730 31.092 31.823 -0.001 0.000 0.651 48 V HN 0.375 nan 8.190 nan 0.000 0.449 49 K N 0.006 120.388 120.400 -0.029 0.000 2.147 49 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 49 K C 2.067 178.672 176.600 0.009 0.000 1.049 49 K CA 1.348 57.643 56.287 0.012 0.000 0.936 49 K CB -0.254 32.246 32.500 0.000 0.000 0.722 49 K HN 0.493 nan 8.250 nan 0.000 0.446 50 E N 0.629 120.811 120.200 -0.029 0.000 2.028 50 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 50 E C 1.953 178.508 176.600 -0.076 0.000 0.988 50 E CA 0.967 57.341 56.400 -0.044 0.000 0.799 50 E CB -0.090 29.563 29.700 -0.079 0.000 0.755 50 E HN -0.054 nan 8.360 nan 0.000 0.447 51 V N 0.709 120.547 119.914 -0.127 0.000 2.332 51 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 51 V C 2.495 178.664 176.094 0.124 0.000 1.055 51 V CA 1.831 64.102 62.300 -0.048 0.000 1.038 51 V CB -0.826 30.945 31.823 -0.085 0.000 0.651 51 V HN 0.449 nan 8.190 nan 0.000 0.450 52 V N -2.167 117.866 119.914 0.198 0.000 2.809 52 V HA -0.118 4.002 4.120 -0.000 0.000 0.256 52 V C 2.374 178.535 176.094 0.110 0.000 1.080 52 V CA 2.011 64.493 62.300 0.303 0.000 1.102 52 V CB -0.397 31.659 31.823 0.389 0.000 0.705 52 V HN 0.491 nan 8.190 nan 0.000 0.475 53 S N 2.401 118.128 115.700 0.046 0.000 2.344 53 S HA -0.176 4.294 4.470 -0.000 0.000 0.217 53 S C 1.972 176.532 174.600 -0.066 0.000 1.033 53 S CA 2.086 60.283 58.200 -0.004 0.000 1.017 53 S CB -0.636 62.559 63.200 -0.008 0.000 0.941 53 S HN 0.853 nan 8.310 nan 0.000 0.430 54 L N 0.706 121.879 121.223 -0.083 0.000 2.191 54 L HA 0.122 4.462 4.340 -0.000 0.000 0.212 54 L C 2.216 178.987 176.870 -0.165 0.000 1.103 54 L CA 2.013 56.776 54.840 -0.128 0.000 0.769 54 L CB -1.772 40.188 42.059 -0.165 0.000 0.908 54 L HN 0.182 nan 8.230 nan 0.000 0.438 55 T N -0.333 114.114 114.554 -0.179 0.000 2.770 55 T HA -0.165 4.185 4.350 -0.000 0.000 0.263 55 T C 1.736 176.008 174.700 -0.713 0.000 1.039 55 T CA 1.613 63.522 62.100 -0.318 0.000 1.142 55 T CB -0.166 68.507 68.868 -0.325 0.000 0.868 55 T HN 0.613 nan 8.240 nan 0.000 0.435 56 E N 1.008 120.738 120.200 -0.785 0.000 2.051 56 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 56 E C 2.357 178.681 176.600 -0.460 0.000 0.991 56 E CA 1.045 56.880 56.400 -0.941 0.000 0.799 56 E CB -0.207 29.305 29.700 -0.313 0.000 0.748 56 E HN 0.446 nan 8.360 nan 0.000 0.449 57 A N 0.224 122.884 122.820 -0.266 0.000 1.898 57 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 57 A C 2.232 179.731 177.584 -0.142 0.000 1.181 57 A CA 1.307 53.250 52.037 -0.157 0.000 0.620 57 A CB -0.491 18.446 19.000 -0.104 0.000 0.819 57 A HN 0.522 nan 8.150 nan 0.000 0.442 58 c N -1.778 116.733 118.600 -0.147 0.000 2.673 58 c HA 0.190 4.760 4.570 -0.000 0.000 0.274 58 c C 1.885 175.927 174.090 -0.080 0.000 1.276 58 c CA -0.219 56.065 56.329 -0.075 0.000 1.701 58 c CB -1.853 40.651 42.510 -0.011 0.000 1.836 58 c HN 0.699 nan 8.230 nan 0.000 0.596 59 c N 0.675 119.165 118.600 -0.184 0.000 3.070 59 c HA 0.431 5.001 4.570 -0.000 0.000 0.280 59 c C 1.669 175.681 174.090 -0.130 0.000 1.264 59 c CA -0.539 55.682 56.329 -0.179 0.000 1.690 59 c CB -1.515 40.804 42.510 -0.317 0.000 2.049 59 c HN 0.648 nan 8.230 nan 0.000 0.636 60 A N 1.312 124.058 122.820 -0.123 0.000 2.440 60 A HA 0.412 4.732 4.320 -0.000 0.000 0.251 60 A C -0.262 177.297 177.584 -0.042 0.000 1.089 60 A CA 0.226 52.221 52.037 -0.069 0.000 0.779 60 A CB 0.150 19.112 19.000 -0.064 0.000 1.022 60 A HN 0.534 nan 8.150 nan 0.000 0.492 61 E N 1.010 121.196 120.200 -0.024 0.000 2.351 61 E HA 0.411 4.761 4.350 -0.000 0.000 0.266 61 E C 1.135 177.726 176.600 -0.015 0.000 1.031 61 E CA 1.507 57.898 56.400 -0.016 0.000 0.911 61 E CB 0.411 30.107 29.700 -0.007 0.000 0.986 61 E HN 1.128 nan 8.360 nan 0.000 0.446 62 G N 2.152 110.943 108.800 -0.015 0.000 2.481 62 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.200 62 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.200 62 G C 0.484 175.375 174.900 -0.015 0.000 1.012 62 G CA -0.331 44.761 45.100 -0.013 0.000 0.676 62 G HN 0.827 nan 8.290 nan 0.000 0.488 63 A N 1.808 124.614 122.820 -0.022 0.000 2.540 63 A HA 0.453 4.773 4.320 -0.000 0.000 0.239 63 A C 0.642 178.217 177.584 -0.014 0.000 1.061 63 A CA 0.863 52.886 52.037 -0.023 0.000 0.758 63 A CB -0.028 18.950 19.000 -0.036 0.000 0.991 63 A HN 1.027 nan 8.150 nan 0.000 0.502 64 D N 2.827 123.221 120.400 -0.010 0.000 2.389 64 D HA 0.170 4.810 4.640 -0.000 0.000 0.247 64 D C -2.122 174.180 176.300 0.004 0.000 1.128 64 D CA -1.705 52.293 54.000 -0.003 0.000 0.884 64 D CB 0.365 41.163 40.800 -0.002 0.000 1.194 64 D HN 0.165 nan 8.370 nan 0.000 0.441 65 P HA -0.175 nan 4.420 nan 0.000 0.217 65 P C 0.998 178.316 177.300 0.030 0.000 1.148 65 P CA 1.064 64.173 63.100 0.014 0.000 0.828 65 P CB 0.165 31.871 31.700 0.009 0.000 0.783 66 D N -1.046 119.367 120.400 0.022 0.000 2.149 66 D HA -0.217 4.423 4.640 -0.000 0.000 0.194 66 D C 1.899 178.218 176.300 0.032 0.000 1.001 66 D CA 1.108 55.123 54.000 0.024 0.000 0.849 66 D CB -0.991 39.816 40.800 0.012 0.000 0.939 66 D HN 0.111 nan 8.370 nan 0.000 0.449 67 c N -0.517 118.099 118.600 0.027 0.000 2.437 67 c HA -0.249 4.321 4.570 -0.000 0.000 0.284 67 c C 2.540 176.647 174.090 0.029 0.000 1.208 67 c CA 1.565 57.903 56.329 0.016 0.000 1.764 67 c CB -1.803 40.705 42.510 -0.003 0.000 2.039 67 c HN 0.519 nan 8.230 nan 0.000 0.444 68 Y N 2.020 122.298 120.300 -0.036 0.000 2.073 68 Y HA -0.297 4.253 4.550 -0.000 0.000 0.270 68 Y C 2.294 178.185 175.900 -0.014 0.000 1.226 68 Y CA 2.756 60.837 58.100 -0.032 0.000 1.117 68 Y CB -0.707 37.732 38.460 -0.034 0.000 0.939 68 Y HN 0.501 nan 8.280 nan 0.000 0.504 69 D N -1.269 119.248 120.400 0.196 0.000 2.264 69 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 69 D C 1.932 178.238 176.300 0.010 0.000 0.966 69 D CA 1.572 55.644 54.000 0.120 0.000 0.864 69 D CB -0.089 40.784 40.800 0.122 0.000 0.933 69 D HN 0.458 nan 8.370 nan 0.000 0.499 70 T N 0.773 115.320 114.554 -0.013 0.000 2.643 70 T HA -0.046 4.304 4.350 -0.000 0.000 0.256 70 T C 1.944 176.604 174.700 -0.067 0.000 1.061 70 T CA 0.615 62.697 62.100 -0.030 0.000 1.163 70 T CB -0.050 68.805 68.868 -0.021 0.000 0.865 70 T HN 0.070 nan 8.240 nan 0.000 0.407 71 R N 0.724 121.161 120.500 -0.105 0.000 2.285 71 R HA 0.020 4.360 4.340 -0.000 0.000 0.213 71 R C 2.377 178.573 176.300 -0.174 0.000 1.068 71 R CA 0.946 56.971 56.100 -0.125 0.000 1.004 71 R CB -0.304 29.915 30.300 -0.134 0.000 0.873 71 R HN 0.303 nan 8.270 nan 0.000 0.467 72 T N -0.096 114.319 114.554 -0.231 0.000 2.851 72 T HA -0.088 4.262 4.350 -0.000 0.000 0.262 72 T C 1.972 176.608 174.700 -0.107 0.000 1.043 72 T CA 1.581 63.537 62.100 -0.241 0.000 1.140 72 T CB 0.018 68.699 68.868 -0.311 0.000 0.872 72 T HN 0.382 nan 8.240 nan 0.000 0.446 73 S N 1.593 117.256 115.700 -0.063 0.000 2.436 73 S HA 0.199 4.669 4.470 -0.000 0.000 0.228 73 S C 2.335 176.924 174.600 -0.018 0.000 1.014 73 S CA 0.623 58.810 58.200 -0.021 0.000 0.950 73 S CB -0.353 62.845 63.200 -0.003 0.000 0.784 73 S HN 0.440 nan 8.310 nan 0.000 0.504 74 A N 1.776 124.577 122.820 -0.031 0.000 1.930 74 A HA 0.228 4.548 4.320 -0.000 0.000 0.215 74 A C 2.128 179.712 177.584 0.001 0.000 1.176 74 A CA 1.119 53.148 52.037 -0.014 0.000 0.632 74 A CB -0.719 18.267 19.000 -0.023 0.000 0.819 74 A HN 0.481 nan 8.150 nan 0.000 0.445 75 L N 1.009 122.209 121.223 -0.038 0.000 2.046 75 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 75 L C 2.575 179.435 176.870 -0.018 0.000 1.077 75 L CA 2.894 57.702 54.840 -0.054 0.000 0.747 75 L CB -0.706 41.252 42.059 -0.168 0.000 0.896 75 L HN 0.448 nan 8.230 nan 0.000 0.432 76 S N -0.839 114.847 115.700 -0.022 0.000 2.481 76 S HA 0.029 4.498 4.470 -0.000 0.000 0.231 76 S C 2.024 176.657 174.600 0.055 0.000 0.996 76 S CA 0.525 58.733 58.200 0.013 0.000 0.942 76 S CB -0.756 62.452 63.200 0.012 0.000 0.768 76 S HN 0.528 nan 8.310 nan 0.000 0.520 77 A N 2.558 125.409 122.820 0.051 0.000 1.855 77 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 77 A C 2.171 179.798 177.584 0.072 0.000 1.191 77 A CA 1.752 53.819 52.037 0.050 0.000 0.613 77 A CB -0.834 18.185 19.000 0.032 0.000 0.829 77 A HN 0.465 nan 8.150 nan 0.000 0.442 78 K N 0.687 121.156 120.400 0.117 0.000 2.281 78 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 78 K C 1.863 178.534 176.600 0.117 0.000 1.046 78 K CA 1.418 57.767 56.287 0.104 0.000 0.938 78 K CB -0.380 32.228 32.500 0.179 0.000 0.737 78 K HN 0.417 nan 8.250 nan 0.000 0.458 79 S N -0.828 115.002 115.700 0.216 0.000 2.474 79 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 79 S C 1.571 176.223 174.600 0.088 0.000 0.997 79 S CA 1.039 59.359 58.200 0.199 0.000 0.949 79 S CB -0.254 63.040 63.200 0.158 0.000 0.766 79 S HN 0.448 nan 8.310 nan 0.000 0.517 80 C N 0.875 120.209 119.300 0.058 0.000 2.735 80 C HA 0.251 4.711 4.460 -0.000 0.000 0.271 80 C C 1.079 176.074 174.990 0.009 0.000 1.281 80 C CA -0.853 58.186 59.018 0.035 0.000 1.719 80 C CB -0.937 26.823 27.740 0.034 0.000 2.024 80 C HN 0.536 nan 8.230 nan 0.000 0.566 81 E N 2.191 122.385 120.200 -0.010 0.000 2.414 81 E HA 0.124 4.474 4.350 -0.000 0.000 0.263 81 E C 0.062 176.635 176.600 -0.045 0.000 1.000 81 E CA 0.435 56.814 56.400 -0.035 0.000 0.914 81 E CB 0.500 30.162 29.700 -0.064 0.000 0.948 81 E HN 0.319 nan 8.360 nan 0.000 0.444 82 S N 3.558 119.235 115.700 -0.038 0.000 2.566 82 S HA 0.001 4.471 4.470 -0.000 0.000 0.280 82 S C 0.098 174.662 174.600 -0.060 0.000 1.343 82 S CA 0.422 58.600 58.200 -0.037 0.000 1.036 82 S CB -0.180 63.003 63.200 -0.028 0.000 0.866 82 S HN 0.861 nan 8.310 nan 0.000 0.526 83 N N -0.148 118.519 118.700 -0.055 0.000 2.696 83 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 83 N C -0.158 175.280 175.510 -0.121 0.000 1.090 83 N CA 0.947 53.953 53.050 -0.072 0.000 0.716 83 N CB -1.941 36.507 38.487 -0.065 0.000 1.020 83 N HN 0.410 nan 8.380 nan 0.000 0.548 84 S N -0.419 115.200 115.700 -0.135 0.000 2.561 84 S HA 0.116 4.586 4.470 -0.000 0.000 0.294 84 S C -0.870 173.532 174.600 -0.330 0.000 1.294 84 S CA -0.633 57.421 58.200 -0.244 0.000 1.055 84 S CB 0.556 63.651 63.200 -0.176 0.000 0.819 84 S HN 0.308 nan 8.310 nan 0.000 0.503 85 P HA 0.055 nan 4.420 nan 0.000 0.228 85 P C -0.457 176.621 177.300 -0.370 0.000 1.151 85 P CA 0.781 63.573 63.100 -0.513 0.000 0.770 85 P CB 0.020 31.320 31.700 -0.667 0.000 0.786 86 F N -0.684 119.177 119.950 -0.148 0.000 2.408 86 F HA 0.445 4.972 4.527 -0.000 0.000 0.325 86 F C -1.939 173.711 175.800 -0.249 0.000 1.082 86 F CA -3.798 54.075 58.000 -0.213 0.000 1.032 86 F CB -1.193 37.668 39.000 -0.230 0.000 1.259 86 F HN -0.385 nan 8.300 nan 0.000 0.503 87 P HA 0.089 nan 4.420 nan 0.000 0.265 87 P C -0.575 176.557 177.300 -0.279 0.000 1.193 87 P CA -0.153 62.755 63.100 -0.319 0.000 0.765 87 P CB 0.370 31.639 31.700 -0.718 0.000 0.823 88 V N 1.653 121.537 119.914 -0.051 0.000 3.083 88 V HA 0.521 4.641 4.120 -0.000 0.000 0.306 88 V C -0.290 175.939 176.094 0.225 0.000 1.077 88 V CA -0.124 62.211 62.300 0.059 0.000 1.073 88 V CB 0.906 32.764 31.823 0.059 0.000 1.081 88 V HN 0.600 nan 8.190 nan 0.000 0.474 89 H N 1.200 120.346 119.070 0.126 0.000 3.123 89 H HA 0.663 5.219 4.556 -0.000 0.000 0.346 89 H C -2.320 173.083 175.328 0.126 0.000 1.138 89 H CA -0.766 55.398 56.048 0.192 0.000 1.273 89 H CB 1.439 31.387 29.762 0.311 0.000 1.926 89 H HN 1.030 nan 8.280 nan 0.000 0.524 113 Q N 4.697 124.343 119.800 -0.256 0.000 2.227 113 Q HA 0.459 4.799 4.340 -0.000 0.000 0.245 113 Q C -2.306 173.463 176.000 -0.386 0.000 0.926 113 Q CA -1.960 53.673 55.803 -0.283 0.000 0.895 113 Q CB 1.301 29.964 28.738 -0.125 0.000 1.230 113 Q HN 0.449 nan 8.270 nan 0.000 0.450 114 P HA 0.034 nan 4.420 nan 0.000 0.275 114 P C -1.453 175.757 177.300 -0.149 0.000 1.227 114 P CA -0.173 62.791 63.100 -0.226 0.000 0.781 114 P CB 0.620 32.217 31.700 -0.171 0.000 0.906 115 Q N 1.927 121.639 119.800 -0.146 0.000 2.377 115 Q HA 0.083 4.423 4.340 -0.000 0.000 0.249 115 Q C 0.294 176.203 176.000 -0.152 0.000 1.005 115 Q CA 0.572 56.300 55.803 -0.125 0.000 0.912 115 Q CB 0.212 28.844 28.738 -0.176 0.000 1.223 115 Q HN 0.376 nan 8.270 nan 0.000 0.459 116 E N 2.961 123.091 120.200 -0.116 0.000 2.478 116 E HA 0.067 4.417 4.350 -0.000 0.000 0.194 116 E C -0.700 175.525 176.600 -0.626 0.000 1.045 116 E CA 0.188 56.391 56.400 -0.328 0.000 0.868 116 E CB 0.375 29.877 29.700 -0.331 0.000 0.885 116 E HN 0.491 nan 8.360 nan 0.000 0.505 117 F N 0.999 120.857 119.950 -0.153 0.000 2.710 117 F HA 0.289 4.816 4.527 -0.000 0.000 0.345 117 F C -2.430 173.268 175.800 -0.169 0.000 1.362 117 F CA -2.636 55.271 58.000 -0.156 0.000 1.175 117 F CB 0.898 39.799 39.000 -0.166 0.000 1.561 117 F HN -0.209 nan 8.300 nan 0.000 0.593 118 P HA 0.074 nan 4.420 nan 0.000 0.265 118 P C 0.835 178.089 177.300 -0.076 0.000 1.193 118 P CA 0.201 63.166 63.100 -0.225 0.000 0.765 118 P CB 0.781 32.217 31.700 -0.440 0.000 0.823 119 T N -1.442 113.071 114.554 -0.068 0.000 3.044 119 T HA 0.084 4.434 4.350 -0.000 0.000 0.260 119 T C 0.303 175.019 174.700 0.025 0.000 1.019 119 T CA -0.205 61.889 62.100 -0.010 0.000 0.921 119 T CB -0.700 68.162 68.868 -0.009 0.000 1.053 119 T HN 0.265 nan 8.240 nan 0.000 0.533 120 Y N 2.276 122.530 120.300 -0.076 0.000 2.442 120 Y HA 0.478 5.028 4.550 -0.000 0.000 0.330 120 Y C -0.852 175.101 175.900 0.089 0.000 1.129 120 Y CA -0.963 57.143 58.100 0.010 0.000 1.365 120 Y CB 0.667 39.151 38.460 0.040 0.000 1.233 120 Y HN 0.009 nan 8.280 nan 0.000 0.529 121 V N 7.474 126.965 119.914 -0.705 0.000 2.445 121 V HA 0.112 4.232 4.120 -0.000 0.000 0.283 121 V C -0.424 175.274 176.094 -0.660 0.000 1.014 121 V CA -1.202 60.789 62.300 -0.516 0.000 0.852 121 V CB 1.238 32.943 31.823 -0.196 0.000 1.021 121 V HN 0.815 nan 8.190 nan 0.000 0.435 122 E N 6.347 126.164 120.200 -0.637 0.000 2.493 122 E HA 0.108 4.458 4.350 -0.000 0.000 0.255 122 E C -2.089 174.467 176.600 -0.074 0.000 0.999 122 E CA -0.928 55.340 56.400 -0.219 0.000 0.934 122 E CB 0.850 30.596 29.700 0.077 0.000 0.940 122 E HN 0.420 nan 8.360 nan 0.000 0.473 123 P HA -0.002 nan 4.420 nan 0.000 0.272 123 P C -0.609 176.690 177.300 -0.002 0.000 1.254 123 P CA -0.300 62.817 63.100 0.028 0.000 0.795 123 P CB 0.357 32.118 31.700 0.102 0.000 1.022 124 T N -1.863 112.680 114.554 -0.018 0.000 2.813 124 T HA 0.097 4.447 4.350 -0.000 0.000 0.297 124 T C 1.187 175.829 174.700 -0.097 0.000 1.036 124 T CA -0.452 61.613 62.100 -0.058 0.000 1.044 124 T CB 0.101 68.946 68.868 -0.038 0.000 0.993 124 T HN 0.165 nan 8.240 nan 0.000 0.535 125 N N 1.108 119.695 118.700 -0.188 0.000 2.205 125 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 125 N C 1.356 176.832 175.510 -0.057 0.000 1.015 125 N CA 1.236 54.121 53.050 -0.275 0.000 0.862 125 N CB -0.403 37.852 38.487 -0.386 0.000 0.986 125 N HN 0.639 nan 8.380 nan 0.000 0.429 126 D N 0.769 121.153 120.400 -0.026 0.000 2.162 126 D HA -0.065 4.575 4.640 -0.000 0.000 0.203 126 D C 1.561 177.868 176.300 0.011 0.000 0.967 126 D CA 0.676 54.681 54.000 0.009 0.000 0.840 126 D CB -0.003 40.802 40.800 0.009 0.000 0.972 126 D HN 0.456 nan 8.370 nan 0.000 0.482 127 E N 0.511 120.716 120.200 0.008 0.000 2.106 127 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 127 E C 2.357 178.976 176.600 0.032 0.000 0.984 127 E CA 0.306 56.724 56.400 0.029 0.000 0.806 127 E CB 0.114 29.839 29.700 0.042 0.000 0.750 127 E HN 0.285 nan 8.360 nan 0.000 0.458 128 I N 0.740 121.320 120.570 0.017 0.000 2.179 128 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 128 I C 2.355 178.389 176.117 -0.138 0.000 1.088 128 I CA 0.838 62.122 61.300 -0.027 0.000 1.357 128 I CB -0.234 37.765 38.000 -0.000 0.000 1.051 128 I HN 0.240 nan 8.210 nan 0.000 0.409 129 c N 0.143 118.722 118.600 -0.035 0.000 2.450 129 c HA -0.111 4.459 4.570 -0.000 0.000 0.279 129 c C 2.697 176.798 174.090 0.018 0.000 1.335 129 c CA 0.491 56.820 56.329 -0.001 0.000 1.749 129 c CB -0.934 41.601 42.510 0.042 0.000 1.963 129 c HN 0.508 nan 8.230 nan 0.000 0.501 130 E N 1.251 121.456 120.200 0.008 0.000 2.031 130 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 130 E C 2.260 178.864 176.600 0.008 0.000 0.994 130 E CA 1.444 57.854 56.400 0.017 0.000 0.800 130 E CB -0.187 29.527 29.700 0.023 0.000 0.752 130 E HN 0.574 nan 8.360 nan 0.000 0.447 131 A N 0.168 122.983 122.820 -0.008 0.000 1.972 131 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 131 A C 1.937 179.474 177.584 -0.078 0.000 1.169 131 A CA 1.051 53.091 52.037 0.005 0.000 0.635 131 A CB -0.707 18.358 19.000 0.109 0.000 0.810 131 A HN 0.490 nan 8.150 nan 0.000 0.446 132 F N 0.198 119.917 119.950 -0.385 0.000 2.259 132 F HA -0.014 4.513 4.527 -0.000 0.000 0.298 132 F C 2.351 178.074 175.800 -0.128 0.000 1.088 132 F CA 1.245 59.031 58.000 -0.358 0.000 1.358 132 F CB -0.060 38.667 39.000 -0.454 0.000 1.040 132 F HN 0.092 nan 8.300 nan 0.000 0.505 133 R N 0.051 120.554 120.500 0.005 0.000 2.062 133 R HA -0.149 4.191 4.340 -0.000 0.000 0.229 133 R C 2.205 178.455 176.300 -0.084 0.000 1.128 133 R CA 1.453 57.536 56.100 -0.029 0.000 0.960 133 R CB -0.404 29.910 30.300 0.024 0.000 0.855 133 R HN 0.050 nan 8.270 nan 0.000 0.432 134 K N 0.921 121.291 120.400 -0.049 0.000 2.020 134 K HA -0.165 4.155 4.320 -0.000 0.000 0.212 134 K C -0.184 176.386 176.600 -0.051 0.000 1.050 134 K CA 1.807 58.076 56.287 -0.031 0.000 0.929 134 K CB 0.024 32.526 32.500 0.004 0.000 0.714 134 K HN -0.011 nan 8.250 nan 0.000 0.443 135 D N -2.174 118.182 120.400 -0.073 0.000 2.318 135 D HA 0.210 4.850 4.640 -0.000 0.000 0.233 135 D C -2.406 173.830 176.300 -0.107 0.000 1.348 135 D CA -1.559 52.400 54.000 -0.069 0.000 0.983 135 D CB 1.493 42.300 40.800 0.012 0.000 1.416 135 D HN -0.170 nan 8.370 nan 0.000 0.558 136 P HA -0.148 nan 4.420 nan 0.000 0.213 136 P C 1.458 178.744 177.300 -0.023 0.000 1.170 136 P CA 1.009 63.846 63.100 -0.439 0.000 0.898 136 P CB 0.464 31.807 31.700 -0.596 0.000 0.787 137 K N -0.255 120.149 120.400 0.008 0.000 2.009 137 K HA -0.200 4.120 4.320 -0.000 0.000 0.210 137 K C 2.111 178.801 176.600 0.150 0.000 1.049 137 K CA 1.547 57.888 56.287 0.091 0.000 0.929 137 K CB -0.942 31.598 32.500 0.067 0.000 0.714 137 K HN 0.065 nan 8.250 nan 0.000 0.440 138 E N 0.180 120.464 120.200 0.139 0.000 2.097 138 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 138 E C 1.984 178.702 176.600 0.197 0.000 1.000 138 E CA 1.302 57.809 56.400 0.178 0.000 0.804 138 E CB -0.409 29.376 29.700 0.142 0.000 0.740 138 E HN 0.325 nan 8.360 nan 0.000 0.454 139 Y N 0.219 120.586 120.300 0.111 0.000 2.145 139 Y HA -0.147 4.403 4.550 -0.000 0.000 0.286 139 Y C 2.118 178.183 175.900 0.274 0.000 1.145 139 Y CA 1.998 60.204 58.100 0.177 0.000 1.148 139 Y CB -0.863 37.712 38.460 0.192 0.000 0.981 139 Y HN 0.101 nan 8.280 nan 0.000 0.507 140 A N 0.675 123.635 122.820 0.232 0.000 1.908 140 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 140 A C 2.082 179.797 177.584 0.218 0.000 1.181 140 A CA 2.045 54.225 52.037 0.239 0.000 0.627 140 A CB -0.810 18.357 19.000 0.279 0.000 0.818 140 A HN 0.633 nan 8.150 nan 0.000 0.445 141 N N -0.381 118.456 118.700 0.228 0.000 2.188 141 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 141 N C 1.902 177.616 175.510 0.339 0.000 1.018 141 N CA 1.464 54.710 53.050 0.326 0.000 0.858 141 N CB -0.423 38.319 38.487 0.425 0.000 0.989 141 N HN 0.673 nan 8.380 nan 0.000 0.426 142 Q N -0.301 119.528 119.800 0.049 0.000 2.119 142 Q HA -0.082 4.258 4.340 -0.000 0.000 0.201 142 Q C 1.754 177.800 176.000 0.078 0.000 0.972 142 Q CA 0.960 56.628 55.803 -0.226 0.000 0.847 142 Q CB -0.172 28.370 28.738 -0.327 0.000 0.903 142 Q HN 0.323 nan 8.270 nan 0.000 0.433 143 F N 0.602 120.485 119.950 -0.113 0.000 2.146 143 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 143 F C 1.861 177.661 175.800 -0.000 0.000 1.096 143 F CA 1.360 59.301 58.000 -0.099 0.000 1.275 143 F CB -0.067 38.794 39.000 -0.232 0.000 1.008 143 F HN -0.012 nan 8.300 nan 0.000 0.480 144 M N -1.475 117.986 119.600 -0.233 0.000 2.175 144 M HA -0.150 4.330 4.480 -0.000 0.000 0.264 144 M C 2.057 178.314 176.300 -0.071 0.000 1.063 144 M CA 1.865 57.011 55.300 -0.257 0.000 1.119 144 M CB -0.792 31.820 32.600 0.020 0.000 1.377 144 M HN 0.497 nan 8.290 nan 0.000 0.415 145 W N 1.571 122.857 121.300 -0.023 0.000 2.408 145 W HA -0.162 4.498 4.660 -0.000 0.000 0.311 145 W C 2.227 178.748 176.519 0.003 0.000 1.190 145 W CA 1.823 59.219 57.345 0.086 0.000 1.321 145 W CB -0.363 29.306 29.460 0.349 0.000 1.143 145 W HN 0.234 nan 8.180 nan 0.000 0.501 146 E N -1.302 118.680 120.200 -0.363 0.000 2.110 146 E HA -0.316 4.034 4.350 -0.000 0.000 0.193 146 E C 2.169 178.420 176.600 -0.580 0.000 0.988 146 E CA 1.607 57.569 56.400 -0.731 0.000 0.804 146 E CB -0.728 28.878 29.700 -0.157 0.000 0.745 146 E HN 0.452 nan 8.360 nan 0.000 0.458 147 Y N 0.774 120.650 120.300 -0.707 0.000 2.153 147 Y HA -0.152 4.398 4.550 -0.000 0.000 0.289 147 Y C 2.530 178.194 175.900 -0.394 0.000 1.127 147 Y CA 1.967 59.624 58.100 -0.740 0.000 1.131 147 Y CB -0.386 37.436 38.460 -1.064 0.000 0.995 147 Y HN 0.010 nan 8.280 nan 0.000 0.505 148 S N -0.516 115.035 115.700 -0.249 0.000 2.359 148 S HA -0.252 4.218 4.470 -0.000 0.000 0.224 148 S C 2.017 176.460 174.600 -0.261 0.000 1.035 148 S CA 2.123 60.219 58.200 -0.173 0.000 1.018 148 S CB -0.988 62.162 63.200 -0.082 0.000 0.876 148 S HN 0.773 nan 8.310 nan 0.000 0.448 149 T N 0.812 115.140 114.554 -0.377 0.000 2.881 149 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 149 T C 1.423 175.910 174.700 -0.356 0.000 1.068 149 T CA 1.150 63.039 62.100 -0.353 0.000 1.131 149 T CB -0.295 68.233 68.868 -0.567 0.000 0.871 149 T HN 0.293 nan 8.240 nan 0.000 0.479 150 N N 0.113 118.514 118.700 -0.498 0.000 2.409 150 N HA 0.070 4.810 4.740 -0.000 0.000 0.174 150 N C -0.151 174.817 175.510 -0.904 0.000 1.037 150 N CA 0.649 53.305 53.050 -0.657 0.000 0.898 150 N CB 0.278 38.327 38.487 -0.730 0.000 1.010 150 N HN 0.528 nan 8.380 nan 0.000 0.445 151 Y N -0.609 119.404 120.300 -0.478 0.000 2.672 151 Y HA 0.347 4.897 4.550 -0.000 0.000 0.272 151 Y C 1.638 177.379 175.900 -0.265 0.000 1.055 151 Y CA -0.621 57.229 58.100 -0.417 0.000 1.151 151 Y CB 0.657 38.712 38.460 -0.675 0.000 1.190 151 Y HN -0.085 nan 8.280 nan 0.000 0.574 152 G N -0.314 108.417 108.800 -0.116 0.000 2.559 152 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 152 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 152 G C 1.415 176.326 174.900 0.018 0.000 1.126 152 G CA 0.497 45.570 45.100 -0.045 0.000 0.778 152 G HN 0.264 nan 8.290 nan 0.000 0.543 153 Q N 0.311 120.124 119.800 0.022 0.000 2.435 153 Q HA 0.364 4.704 4.340 -0.000 0.000 0.207 153 Q C 1.406 177.412 176.000 0.009 0.000 0.956 153 Q CA 0.320 56.148 55.803 0.043 0.000 0.917 153 Q CB -0.195 28.542 28.738 -0.003 0.000 0.997 153 Q HN 0.427 nan 8.270 nan 0.000 0.497 154 A N 0.955 123.769 122.820 -0.011 0.000 2.332 154 A HA 0.483 4.803 4.320 -0.000 0.000 0.258 154 A C -2.295 175.269 177.584 -0.032 0.000 1.087 154 A CA -1.376 50.640 52.037 -0.034 0.000 0.802 154 A CB -0.189 18.784 19.000 -0.044 0.000 1.042 154 A HN 0.103 nan 8.150 nan 0.000 0.489 155 P HA 0.005 nan 4.420 nan 0.000 0.264 155 P C 0.965 178.244 177.300 -0.035 0.000 1.183 155 P CA -0.193 62.882 63.100 -0.041 0.000 0.763 155 P CB 0.395 32.065 31.700 -0.049 0.000 0.807 156 L N 4.518 125.715 121.223 -0.043 0.000 2.013 156 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 156 L C 2.121 178.975 176.870 -0.028 0.000 1.073 156 L CA 2.708 57.520 54.840 -0.048 0.000 0.753 156 L CB -1.500 40.516 42.059 -0.072 0.000 0.890 156 L HN 0.438 nan 8.230 nan 0.000 0.432 157 S N -1.130 114.556 115.700 -0.023 0.000 2.400 157 S HA -0.197 4.273 4.470 -0.000 0.000 0.232 157 S C 2.024 176.627 174.600 0.005 0.000 1.025 157 S CA 1.580 59.775 58.200 -0.009 0.000 0.993 157 S CB -0.965 62.231 63.200 -0.006 0.000 0.808 157 S HN 0.547 nan 8.310 nan 0.000 0.478 158 L N 0.492 121.715 121.223 -0.000 0.000 2.044 158 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 158 L C 2.700 179.607 176.870 0.062 0.000 1.075 158 L CA 0.967 55.815 54.840 0.014 0.000 0.747 158 L CB -0.613 41.429 42.059 -0.028 0.000 0.903 158 L HN 0.302 nan 8.230 nan 0.000 0.435 159 L N -0.725 120.533 121.223 0.058 0.000 1.990 159 L HA -0.248 4.092 4.340 -0.000 0.000 0.213 159 L C 2.581 179.507 176.870 0.093 0.000 1.072 159 L CA 1.208 56.116 54.840 0.114 0.000 0.755 159 L CB -0.716 41.389 42.059 0.076 0.000 0.889 159 L HN 0.070 nan 8.230 nan 0.000 0.432 160 V N -0.904 119.034 119.914 0.040 0.000 2.332 160 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 160 V C 2.716 178.831 176.094 0.035 0.000 1.055 160 V CA 2.112 64.425 62.300 0.021 0.000 1.038 160 V CB -0.454 31.366 31.823 -0.006 0.000 0.651 160 V HN 0.474 nan 8.190 nan 0.000 0.450 161 S N -1.309 114.421 115.700 0.050 0.000 2.345 161 S HA -0.235 4.234 4.470 -0.000 0.000 0.220 161 S C 2.014 176.658 174.600 0.074 0.000 1.031 161 S CA 1.886 60.119 58.200 0.055 0.000 0.996 161 S CB -0.449 62.786 63.200 0.058 0.000 0.882 161 S HN 0.662 nan 8.310 nan 0.000 0.445 162 Y N 2.026 122.318 120.300 -0.013 0.000 2.070 162 Y HA -0.122 4.428 4.550 -0.000 0.000 0.280 162 Y C 2.629 178.541 175.900 0.021 0.000 1.148 162 Y CA 2.449 60.533 58.100 -0.027 0.000 1.125 162 Y CB -1.271 37.127 38.460 -0.103 0.000 0.975 162 Y HN 0.234 nan 8.280 nan 0.000 0.492 163 T N 0.775 115.244 114.554 -0.141 0.000 2.624 163 T HA -0.327 4.023 4.350 -0.000 0.000 0.268 163 T C 1.950 176.675 174.700 0.043 0.000 1.041 163 T CA 2.322 64.389 62.100 -0.054 0.000 1.159 163 T CB -0.426 68.442 68.868 -0.000 0.000 0.863 163 T HN 0.411 nan 8.240 nan 0.000 0.434 164 K N 0.202 120.612 120.400 0.017 0.000 2.097 164 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 164 K C 2.448 179.038 176.600 -0.016 0.000 1.049 164 K CA 1.535 57.836 56.287 0.024 0.000 0.933 164 K CB -0.142 32.368 32.500 0.016 0.000 0.717 164 K HN 0.196 nan 8.250 nan 0.000 0.442 165 S N -0.173 115.495 115.700 -0.054 0.000 2.428 165 S HA -0.114 4.356 4.470 -0.000 0.000 0.230 165 S C 1.453 175.981 174.600 -0.121 0.000 1.014 165 S CA 0.738 58.897 58.200 -0.068 0.000 0.957 165 S CB -0.327 62.854 63.200 -0.031 0.000 0.784 165 S HN 0.427 nan 8.310 nan 0.000 0.499 166 Y N 2.249 122.335 120.300 -0.357 0.000 2.184 166 Y HA 0.030 4.580 4.550 -0.000 0.000 0.290 166 Y C 1.800 177.518 175.900 -0.303 0.000 1.129 166 Y CA 1.158 59.002 58.100 -0.426 0.000 1.144 166 Y CB -0.366 37.652 38.460 -0.736 0.000 0.995 166 Y HN 0.116 nan 8.280 nan 0.000 0.513 167 L N -0.951 120.182 121.223 -0.150 0.000 2.083 167 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 167 L C 2.794 179.563 176.870 -0.170 0.000 1.083 167 L CA 1.533 56.303 54.840 -0.118 0.000 0.752 167 L CB -0.817 41.309 42.059 0.111 0.000 0.899 167 L HN 0.227 nan 8.230 nan 0.000 0.433 168 S N 0.019 115.640 115.700 -0.131 0.000 2.359 168 S HA -0.280 4.190 4.470 -0.000 0.000 0.224 168 S C 2.085 176.554 174.600 -0.218 0.000 1.035 168 S CA 1.786 59.911 58.200 -0.127 0.000 1.018 168 S CB -0.196 62.953 63.200 -0.084 0.000 0.876 168 S HN 0.402 nan 8.310 nan 0.000 0.448 169 M N 0.843 120.281 119.600 -0.269 0.000 2.065 169 M HA -0.091 4.389 4.480 -0.000 0.000 0.259 169 M C 1.908 177.948 176.300 -0.435 0.000 1.069 169 M CA 1.966 57.079 55.300 -0.311 0.000 1.110 169 M CB -0.438 31.997 32.600 -0.275 0.000 1.328 169 M HN 0.260 nan 8.290 nan 0.000 0.405 170 V N 0.852 120.449 119.914 -0.528 0.000 2.490 170 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 170 V C 2.615 178.208 176.094 -0.835 0.000 1.061 170 V CA 2.031 63.965 62.300 -0.610 0.000 1.064 170 V CB -1.545 29.890 31.823 -0.647 0.000 0.670 170 V HN 0.785 nan 8.190 nan 0.000 0.461 171 G N -0.172 108.220 108.800 -0.680 0.000 2.421 171 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 171 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 171 G C 1.768 176.467 174.900 -0.334 0.000 1.143 171 G CA 1.177 45.957 45.100 -0.534 0.000 0.784 171 G HN 0.654 nan 8.290 nan 0.000 0.541 172 S N -1.007 114.498 115.700 -0.325 0.000 2.470 172 S HA -0.007 4.463 4.470 -0.000 0.000 0.222 172 S C 2.135 176.526 174.600 -0.349 0.000 1.024 172 S CA 0.742 58.785 58.200 -0.263 0.000 0.931 172 S CB -0.330 62.746 63.200 -0.206 0.000 0.791 172 S HN 0.268 nan 8.310 nan 0.000 0.513 173 c N 1.074 119.347 118.600 -0.545 0.000 2.467 173 c HA 0.201 4.771 4.570 -0.000 0.000 0.279 173 c C 2.549 176.264 174.090 -0.625 0.000 1.347 173 c CA -0.107 55.756 56.329 -0.776 0.000 1.748 173 c CB -1.408 40.130 42.510 -1.619 0.000 1.977 173 c HN 0.676 nan 8.230 nan 0.000 0.501 174 c N 1.392 119.694 118.600 -0.497 0.000 2.576 174 c HA 0.054 4.624 4.570 -0.000 0.000 0.267 174 c C 2.143 176.147 174.090 -0.143 0.000 1.364 174 c CA 1.362 57.533 56.329 -0.264 0.000 1.723 174 c CB -2.008 40.347 42.510 -0.259 0.000 1.778 174 c HN 0.836 nan 8.230 nan 0.000 0.572 175 T N -4.156 110.301 114.554 -0.161 0.000 3.144 175 T HA 0.130 4.480 4.350 -0.000 0.000 0.290 175 T C 0.366 175.008 174.700 -0.096 0.000 0.966 175 T CA 0.047 62.097 62.100 -0.084 0.000 0.907 175 T CB -0.006 68.834 68.868 -0.047 0.000 1.152 175 T HN 0.223 nan 8.240 nan 0.000 0.532 176 S N 0.492 116.106 115.700 -0.143 0.000 2.603 176 S HA 0.641 5.111 4.470 -0.000 0.000 0.268 176 S C 1.745 176.293 174.600 -0.086 0.000 1.317 176 S CA 0.018 58.142 58.200 -0.127 0.000 1.012 176 S CB 0.824 63.916 63.200 -0.180 0.000 0.926 176 S HN 0.503 nan 8.310 nan 0.000 0.539 177 A N 2.997 125.777 122.820 -0.066 0.000 1.968 177 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 177 A C 1.216 178.775 177.584 -0.042 0.000 1.169 177 A CA 0.909 52.919 52.037 -0.045 0.000 0.638 177 A CB -0.269 18.709 19.000 -0.036 0.000 0.812 177 A HN 0.671 nan 8.150 nan 0.000 0.446 178 S N 0.166 115.833 115.700 -0.054 0.000 2.080 178 S HA 0.370 4.840 4.470 -0.000 0.000 0.162 178 S C -2.144 172.418 174.600 -0.063 0.000 1.618 178 S CA -0.945 57.229 58.200 -0.043 0.000 1.200 178 S CB 0.947 64.126 63.200 -0.035 0.000 1.135 178 S HN 0.181 nan 8.310 nan 0.000 0.455 179 P HA -0.157 nan 4.420 nan 0.000 0.216 179 P C 1.512 178.819 177.300 0.013 0.000 1.157 179 P CA 1.530 64.572 63.100 -0.096 0.000 0.880 179 P CB -0.048 31.648 31.700 -0.007 0.000 0.791 180 T N -0.209 114.397 114.554 0.088 0.000 2.643 180 T HA -0.164 4.186 4.350 -0.000 0.000 0.264 180 T C 1.829 176.588 174.700 0.098 0.000 1.045 180 T CA 1.890 64.072 62.100 0.138 0.000 1.155 180 T CB -1.370 67.546 68.868 0.081 0.000 0.863 180 T HN 0.070 nan 8.240 nan 0.000 0.420 181 V N 0.692 120.627 119.914 0.034 0.000 2.490 181 V HA -0.171 3.949 4.120 -0.000 0.000 0.250 181 V C 2.570 178.663 176.094 -0.002 0.000 1.061 181 V CA 1.879 64.190 62.300 0.018 0.000 1.064 181 V CB -1.412 30.410 31.823 -0.001 0.000 0.670 181 V HN 0.712 nan 8.190 nan 0.000 0.461 182 c N -0.034 118.530 118.600 -0.060 0.000 2.432 182 c HA -0.121 4.449 4.570 -0.000 0.000 0.277 182 c C 2.373 176.399 174.090 -0.107 0.000 1.249 182 c CA 1.654 57.899 56.329 -0.140 0.000 1.725 182 c CB -1.534 40.807 42.510 -0.282 0.000 2.028 182 c HN 0.657 nan 8.230 nan 0.000 0.477 183 F N 0.365 120.274 119.950 -0.068 0.000 2.069 183 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 183 F C 2.262 178.039 175.800 -0.039 0.000 1.113 183 F CA 1.607 59.565 58.000 -0.069 0.000 1.214 183 F CB -0.591 38.370 39.000 -0.065 0.000 0.978 183 F HN 0.238 nan 8.300 nan 0.000 0.474 184 L N 0.949 122.278 121.223 0.177 0.000 1.990 184 L HA -0.272 4.068 4.340 -0.000 0.000 0.213 184 L C 2.339 179.251 176.870 0.071 0.000 1.072 184 L CA 1.975 56.875 54.840 0.100 0.000 0.755 184 L CB -0.930 41.169 42.059 0.066 0.000 0.889 184 L HN 0.057 nan 8.230 nan 0.000 0.432 185 K N -0.973 119.453 120.400 0.043 0.000 2.009 185 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 185 K C 1.998 178.611 176.600 0.021 0.000 1.049 185 K CA 1.791 58.090 56.287 0.019 0.000 0.929 185 K CB -0.130 32.365 32.500 -0.008 0.000 0.714 185 K HN 0.372 nan 8.250 nan 0.000 0.440 186 E N 0.667 120.875 120.200 0.014 0.000 2.031 186 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 186 E C 2.177 178.811 176.600 0.057 0.000 0.994 186 E CA 1.193 57.599 56.400 0.009 0.000 0.800 186 E CB -0.218 29.460 29.700 -0.036 0.000 0.752 186 E HN 0.335 nan 8.360 nan 0.000 0.447 187 R N 0.157 120.718 120.500 0.100 0.000 2.117 187 R HA -0.137 4.203 4.340 -0.000 0.000 0.243 187 R C 2.281 178.639 176.300 0.098 0.000 1.143 187 R CA 0.807 56.976 56.100 0.116 0.000 0.968 187 R CB -0.248 30.125 30.300 0.121 0.000 0.863 187 R HN 0.083 nan 8.270 nan 0.000 0.444 188 L N 1.089 122.358 121.223 0.077 0.000 2.093 188 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 188 L C 2.091 179.003 176.870 0.069 0.000 1.085 188 L CA 1.716 56.597 54.840 0.068 0.000 0.755 188 L CB -0.679 41.411 42.059 0.051 0.000 0.904 188 L HN 0.206 nan 8.230 nan 0.000 0.435 189 Q N -1.387 118.448 119.800 0.059 0.000 2.311 189 Q HA -0.087 4.253 4.340 -0.000 0.000 0.203 189 Q C 2.184 178.234 176.000 0.084 0.000 0.954 189 Q CA 0.555 56.391 55.803 0.056 0.000 0.885 189 Q CB 0.185 28.942 28.738 0.031 0.000 0.963 189 Q HN 0.444 nan 8.270 nan 0.000 0.471 190 L N 0.566 121.849 121.223 0.100 0.000 2.270 190 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 190 L C 2.272 179.237 176.870 0.159 0.000 1.104 190 L CA 0.521 55.444 54.840 0.138 0.000 0.804 190 L CB -0.056 42.098 42.059 0.158 0.000 0.937 190 L HN 0.145 nan 8.230 nan 0.000 0.450 191 K N -0.108 120.373 120.400 0.135 0.000 2.044 191 K HA -0.399 3.921 4.320 -0.000 0.000 0.224 191 K C 2.041 178.707 176.600 0.110 0.000 1.056 191 K CA 2.583 58.940 56.287 0.118 0.000 0.962 191 K CB -0.381 32.183 32.500 0.107 0.000 0.730 191 K HN 0.347 nan 8.250 nan 0.000 0.453 192 H N -0.242 118.854 119.070 0.043 0.000 2.265 192 H HA -0.189 4.367 4.556 -0.000 0.000 0.293 192 H C 1.869 177.203 175.328 0.011 0.000 1.089 192 H CA 2.339 58.401 56.048 0.022 0.000 1.244 192 H CB -0.457 29.317 29.762 0.020 0.000 1.355 192 H HN 0.277 nan 8.280 nan 0.000 0.485 193 L N -0.301 120.919 121.223 -0.006 0.000 2.141 193 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 193 L C 2.620 179.448 176.870 -0.068 0.000 1.094 193 L CA 1.958 56.771 54.840 -0.046 0.000 0.763 193 L CB -1.088 41.052 42.059 0.135 0.000 0.908 193 L HN 0.391 nan 8.230 nan 0.000 0.437 194 S N -1.107 114.592 115.700 -0.002 0.000 2.368 194 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 194 S C 1.936 176.382 174.600 -0.256 0.000 1.029 194 S CA 1.125 59.229 58.200 -0.160 0.000 0.988 194 S CB -0.221 63.011 63.200 0.054 0.000 0.838 194 S HN 0.352 nan 8.310 nan 0.000 0.462 195 L N 1.275 122.397 121.223 -0.169 0.000 2.027 195 L HA 0.093 4.433 4.340 -0.000 0.000 0.206 195 L C 2.387 179.102 176.870 -0.260 0.000 1.074 195 L CA 1.316 56.051 54.840 -0.176 0.000 0.745 195 L CB -1.655 40.340 42.059 -0.107 0.000 0.898 195 L HN 0.385 nan 8.230 nan 0.000 0.433 196 L N -0.695 120.333 121.223 -0.324 0.000 2.129 196 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 196 L C 2.271 178.971 176.870 -0.282 0.000 1.087 196 L CA 1.938 56.566 54.840 -0.352 0.000 0.757 196 L CB -0.751 41.055 42.059 -0.422 0.000 0.896 196 L HN 0.268 nan 8.230 nan 0.000 0.434 197 T N -1.849 112.537 114.554 -0.279 0.000 2.770 197 T HA -0.112 4.238 4.350 -0.000 0.000 0.258 197 T C 1.744 176.284 174.700 -0.268 0.000 1.039 197 T CA 1.679 63.622 62.100 -0.262 0.000 1.143 197 T CB -0.521 68.130 68.868 -0.361 0.000 0.866 197 T HN 0.618 nan 8.240 nan 0.000 0.428 198 T N 1.429 115.780 114.554 -0.338 0.000 2.857 198 T HA 0.045 4.395 4.350 -0.000 0.000 0.266 198 T C 1.990 176.562 174.700 -0.213 0.000 1.048 198 T CA 0.389 62.300 62.100 -0.314 0.000 1.139 198 T CB -0.480 68.164 68.868 -0.374 0.000 0.874 198 T HN 0.012 nan 8.240 nan 0.000 0.455 199 L N 2.598 123.670 121.223 -0.250 0.000 1.994 199 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 199 L C 3.204 179.916 176.870 -0.262 0.000 1.071 199 L CA 2.408 57.071 54.840 -0.294 0.000 0.745 199 L CB -1.786 40.092 42.059 -0.302 0.000 0.892 199 L HN 0.602 nan 8.230 nan 0.000 0.431 200 S N -0.179 115.370 115.700 -0.252 0.000 2.383 200 S HA -0.264 4.206 4.470 -0.000 0.000 0.229 200 S C 1.776 176.299 174.600 -0.127 0.000 1.030 200 S CA 1.563 59.643 58.200 -0.200 0.000 1.002 200 S CB -0.913 62.172 63.200 -0.193 0.000 0.829 200 S HN 0.514 nan 8.310 nan 0.000 0.467 201 N N 1.799 120.436 118.700 -0.104 0.000 2.120 201 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 201 N C 1.916 177.400 175.510 -0.044 0.000 1.024 201 N CA 1.464 54.489 53.050 -0.043 0.000 0.852 201 N CB -0.310 38.198 38.487 0.035 0.000 1.003 201 N HN 0.418 nan 8.380 nan 0.000 0.424 202 R N 0.344 120.801 120.500 -0.072 0.000 2.070 202 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 202 R C 2.173 178.442 176.300 -0.051 0.000 1.138 202 R CA 1.961 58.016 56.100 -0.076 0.000 0.936 202 R CB -0.932 29.277 30.300 -0.152 0.000 0.839 202 R HN 0.299 nan 8.270 nan 0.000 0.429 203 V N -1.921 117.946 119.914 -0.079 0.000 2.626 203 V HA -0.191 3.929 4.120 -0.000 0.000 0.252 203 V C 2.223 178.351 176.094 0.056 0.000 1.067 203 V CA 1.731 64.043 62.300 0.021 0.000 1.081 203 V CB -1.075 30.767 31.823 0.031 0.000 0.686 203 V HN 0.401 nan 8.190 nan 0.000 0.468 204 c N 0.544 119.152 118.600 0.012 0.000 2.450 204 c HA -0.009 4.561 4.570 -0.000 0.000 0.279 204 c C 3.194 177.333 174.090 0.081 0.000 1.335 204 c CA 1.363 57.728 56.329 0.060 0.000 1.749 204 c CB -1.124 41.393 42.510 0.012 0.000 1.963 204 c HN 0.676 nan 8.230 nan 0.000 0.501 205 S N 0.431 116.139 115.700 0.014 0.000 2.383 205 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 205 S C 1.858 176.435 174.600 -0.039 0.000 1.026 205 S CA 1.283 59.462 58.200 -0.034 0.000 0.981 205 S CB -0.267 62.889 63.200 -0.074 0.000 0.818 205 S HN 0.699 nan 8.310 nan 0.000 0.472 206 Q N -0.613 119.193 119.800 0.009 0.000 2.079 206 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 206 Q C 1.890 177.939 176.000 0.082 0.000 0.974 206 Q CA 1.423 57.226 55.803 0.000 0.000 0.840 206 Q CB -0.289 28.515 28.738 0.110 0.000 0.898 206 Q HN 0.647 nan 8.270 nan 0.000 0.430 207 Y N 0.836 121.164 120.300 0.048 0.000 2.224 207 Y HA -0.185 4.365 4.550 -0.000 0.000 0.289 207 Y C 2.118 178.046 175.900 0.047 0.000 1.146 207 Y CA 1.255 59.402 58.100 0.079 0.000 1.182 207 Y CB -0.291 38.195 38.460 0.043 0.000 0.983 207 Y HN 0.077 nan 8.280 nan 0.000 0.524 208 A N 0.105 122.913 122.820 -0.020 0.000 1.929 208 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 208 A C 2.369 179.867 177.584 -0.143 0.000 1.176 208 A CA 1.449 53.422 52.037 -0.106 0.000 0.628 208 A CB -1.286 17.687 19.000 -0.044 0.000 0.816 208 A HN 0.543 nan 8.150 nan 0.000 0.444 209 A N -1.738 120.989 122.820 -0.155 0.000 1.968 209 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 209 A C 2.007 179.496 177.584 -0.159 0.000 1.169 209 A CA 1.419 53.334 52.037 -0.203 0.000 0.638 209 A CB -0.513 18.296 19.000 -0.319 0.000 0.812 209 A HN 0.539 nan 8.150 nan 0.000 0.446 210 Y N -0.924 119.306 120.300 -0.118 0.000 2.396 210 Y HA 0.391 4.941 4.550 -0.000 0.000 0.292 210 Y C 1.556 177.347 175.900 -0.181 0.000 1.128 210 Y CA 0.140 58.170 58.100 -0.117 0.000 1.194 210 Y CB -0.466 37.950 38.460 -0.073 0.000 1.124 210 Y HN 0.489 nan 8.280 nan 0.000 0.543 211 G N 0.546 109.240 108.800 -0.177 0.000 2.719 211 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.686 211 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.686 211 G C 0.504 175.218 174.900 -0.311 0.000 1.201 211 G CA 0.020 44.928 45.100 -0.320 0.000 0.768 211 G HN 0.280 nan 8.290 nan 0.000 0.629 212 E N 0.631 120.633 120.200 -0.330 0.000 2.172 212 E HA -0.364 3.986 4.350 -0.000 0.000 0.213 212 E C 2.312 178.945 176.600 0.055 0.000 1.051 212 E CA 2.412 58.844 56.400 0.054 0.000 0.860 212 E CB -0.070 29.728 29.700 0.163 0.000 0.755 212 E HN 0.505 nan 8.360 nan 0.000 0.462 213 K N 0.813 121.212 120.400 -0.002 0.000 1.991 213 K HA -0.145 4.175 4.320 -0.000 0.000 0.212 213 K C 2.018 178.595 176.600 -0.039 0.000 1.049 213 K CA 1.971 58.254 56.287 -0.007 0.000 0.932 213 K CB -0.071 32.419 32.500 -0.015 0.000 0.717 213 K HN 0.025 nan 8.250 nan 0.000 0.441 214 K N 0.059 120.410 120.400 -0.081 0.000 2.097 214 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 214 K C 2.342 178.773 176.600 -0.283 0.000 1.050 214 K CA 1.228 57.388 56.287 -0.212 0.000 0.938 214 K CB -0.327 32.013 32.500 -0.267 0.000 0.718 214 K HN 0.208 nan 8.250 nan 0.000 0.442 215 S N 1.397 117.042 115.700 -0.092 0.000 2.365 215 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 215 S C 2.110 176.742 174.600 0.054 0.000 1.039 215 S CA 1.498 59.740 58.200 0.071 0.000 1.033 215 S CB -0.101 63.282 63.200 0.306 0.000 0.887 215 S HN 0.296 nan 8.310 nan 0.000 0.447 216 R N -0.044 120.488 120.500 0.053 0.000 2.081 216 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 216 R C 2.420 178.723 176.300 0.006 0.000 1.131 216 R CA 1.625 57.752 56.100 0.045 0.000 0.960 216 R CB -0.521 29.807 30.300 0.047 0.000 0.856 216 R HN 0.499 nan 8.270 nan 0.000 0.436 217 L N 0.410 121.608 121.223 -0.041 0.000 1.994 217 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 217 L C 2.339 179.171 176.870 -0.064 0.000 1.071 217 L CA 2.397 57.205 54.840 -0.054 0.000 0.745 217 L CB -0.916 41.085 42.059 -0.098 0.000 0.892 217 L HN 0.184 nan 8.230 nan 0.000 0.431 218 S N -0.265 115.352 115.700 -0.140 0.000 2.359 218 S HA -0.224 4.246 4.470 -0.000 0.000 0.224 218 S C 1.915 176.527 174.600 0.020 0.000 1.035 218 S CA 1.721 59.861 58.200 -0.100 0.000 1.018 218 S CB -0.543 62.543 63.200 -0.191 0.000 0.876 218 S HN 0.677 nan 8.310 nan 0.000 0.448 219 N N 1.113 119.842 118.700 0.048 0.000 2.223 219 N HA -0.066 4.674 4.740 -0.000 0.000 0.185 219 N C 1.640 177.196 175.510 0.077 0.000 1.016 219 N CA 1.045 54.145 53.050 0.083 0.000 0.863 219 N CB -0.568 37.976 38.487 0.094 0.000 0.983 219 N HN 0.389 nan 8.380 nan 0.000 0.429 220 L N 1.209 122.468 121.223 0.060 0.000 2.072 220 L HA 0.074 4.414 4.340 -0.000 0.000 0.205 220 L C 2.003 178.931 176.870 0.098 0.000 1.079 220 L CA 1.060 55.946 54.840 0.077 0.000 0.752 220 L CB -0.440 41.659 42.059 0.066 0.000 0.906 220 L HN 0.016 nan 8.230 nan 0.000 0.436 221 I N -0.402 120.205 120.570 0.062 0.000 2.127 221 I HA -0.347 3.823 4.170 -0.000 0.000 0.241 221 I C 2.451 178.604 176.117 0.061 0.000 1.075 221 I CA 1.570 62.900 61.300 0.049 0.000 1.334 221 I CB -0.423 37.591 38.000 0.023 0.000 1.040 221 I HN 0.247 nan 8.210 nan 0.000 0.405 222 K N 0.656 121.095 120.400 0.065 0.000 2.032 222 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 222 K C 2.143 178.798 176.600 0.092 0.000 1.048 222 K CA 1.370 57.697 56.287 0.067 0.000 0.927 222 K CB -0.348 32.189 32.500 0.062 0.000 0.712 222 K HN 0.286 nan 8.250 nan 0.000 0.441 223 L N 0.583 121.872 121.223 0.109 0.000 2.079 223 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 223 L C 2.562 179.517 176.870 0.142 0.000 1.081 223 L CA 1.053 55.970 54.840 0.127 0.000 0.752 223 L CB -0.487 41.632 42.059 0.100 0.000 0.896 223 L HN 0.248 nan 8.230 nan 0.000 0.433 224 A N -0.737 122.175 122.820 0.155 0.000 1.898 224 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 224 A C 2.174 179.791 177.584 0.055 0.000 1.181 224 A CA 1.292 53.418 52.037 0.148 0.000 0.620 224 A CB -0.369 18.684 19.000 0.088 0.000 0.819 224 A HN 0.468 nan 8.150 nan 0.000 0.442 225 Q N -0.560 119.271 119.800 0.052 0.000 2.230 225 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 225 Q C 1.800 177.847 176.000 0.078 0.000 0.963 225 Q CA 1.273 57.102 55.803 0.043 0.000 0.866 225 Q CB -0.086 28.674 28.738 0.038 0.000 0.931 225 Q HN 0.643 nan 8.270 nan 0.000 0.452 226 K N 0.082 120.559 120.400 0.128 0.000 2.186 226 K HA 0.025 4.345 4.320 -0.000 0.000 0.202 226 K C 0.420 177.187 176.600 0.278 0.000 1.052 226 K CA 0.616 57.029 56.287 0.210 0.000 0.965 226 K CB 0.788 33.474 32.500 0.311 0.000 0.746 226 K HN -0.063 nan 8.250 nan 0.000 0.457 227 V N 1.643 121.672 119.914 0.191 0.000 2.320 227 V HA 0.159 4.279 4.120 -0.000 0.000 0.257 227 V C -2.387 173.763 176.094 0.093 0.000 0.996 227 V CA -1.293 61.080 62.300 0.122 0.000 0.928 227 V CB 0.854 32.658 31.823 -0.032 0.000 1.169 227 V HN -0.042 nan 8.190 nan 0.000 0.475 228 P HA -0.143 nan 4.420 nan 0.000 0.216 228 P C 1.772 179.081 177.300 0.015 0.000 1.150 228 P CA 1.819 64.917 63.100 -0.004 0.000 0.837 228 P CB 0.104 31.795 31.700 -0.015 0.000 0.786 229 T N -4.054 110.527 114.554 0.045 0.000 3.148 229 T HA 0.363 4.713 4.350 -0.000 0.000 0.253 229 T C 0.815 175.566 174.700 0.084 0.000 1.134 229 T CA -0.113 62.018 62.100 0.052 0.000 1.051 229 T CB -0.671 68.220 68.868 0.037 0.000 0.959 229 T HN 0.006 nan 8.240 nan 0.000 0.525 230 A N 1.179 124.072 122.820 0.121 0.000 2.287 230 A HA 0.555 4.875 4.320 -0.000 0.000 0.273 230 A C -0.055 177.643 177.584 0.191 0.000 1.091 230 A CA -0.725 51.375 52.037 0.105 0.000 0.817 230 A CB 0.269 19.291 19.000 0.036 0.000 1.069 230 A HN 0.392 nan 8.150 nan 0.000 0.492 231 D N 0.250 120.667 120.400 0.029 0.000 2.329 231 D HA 0.124 4.764 4.640 -0.000 0.000 0.246 231 D C 1.398 177.473 176.300 -0.375 0.000 1.111 231 D CA -0.566 53.396 54.000 -0.063 0.000 0.941 231 D CB 0.964 41.721 40.800 -0.071 0.000 1.169 231 D HN 0.338 nan 8.370 nan 0.000 0.441 232 L N 1.205 122.039 121.223 -0.648 0.000 2.046 232 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 232 L C 1.249 177.849 176.870 -0.451 0.000 1.077 232 L CA 1.888 56.157 54.840 -0.953 0.000 0.747 232 L CB -0.249 41.394 42.059 -0.693 0.000 0.896 232 L HN 0.290 nan 8.230 nan 0.000 0.432 233 E N 0.207 120.247 120.200 -0.267 0.000 2.409 233 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 233 E C 1.617 178.130 176.600 -0.145 0.000 1.024 233 E CA 0.654 56.955 56.400 -0.164 0.000 0.861 233 E CB -0.134 29.501 29.700 -0.109 0.000 0.788 233 E HN 0.503 nan 8.360 nan 0.000 0.521 234 D N -1.167 119.129 120.400 -0.172 0.000 2.162 234 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 234 D C 1.873 178.088 176.300 -0.140 0.000 0.964 234 D CA 1.324 55.241 54.000 -0.138 0.000 0.847 234 D CB 0.264 40.989 40.800 -0.124 0.000 0.988 234 D HN 0.259 nan 8.370 nan 0.000 0.480 235 V N -1.284 118.529 119.914 -0.169 0.000 3.263 235 V HA 0.115 4.235 4.120 -0.000 0.000 0.248 235 V C 2.157 178.200 176.094 -0.086 0.000 1.145 235 V CA 0.055 62.285 62.300 -0.116 0.000 1.107 235 V CB -0.368 31.415 31.823 -0.068 0.000 0.797 235 V HN -0.000 nan 8.190 nan 0.000 0.467 236 L N 1.792 122.933 121.223 -0.138 0.000 2.042 236 L HA 0.045 4.385 4.340 -0.000 0.000 0.210 236 L C -0.047 176.800 176.870 -0.038 0.000 1.076 236 L CA 2.612 57.399 54.840 -0.088 0.000 0.749 236 L CB -1.766 40.220 42.059 -0.121 0.000 0.893 236 L HN 0.262 nan 8.230 nan 0.000 0.432 237 P HA -0.163 nan 4.420 nan 0.000 0.215 237 P C 2.090 179.409 177.300 0.032 0.000 1.153 237 P CA 1.547 64.641 63.100 -0.010 0.000 0.853 237 P CB -0.050 31.636 31.700 -0.023 0.000 0.788 238 L N -1.109 120.137 121.223 0.038 0.000 2.046 238 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 238 L C 2.496 179.460 176.870 0.157 0.000 1.077 238 L CA 1.677 56.593 54.840 0.128 0.000 0.747 238 L CB -1.391 40.711 42.059 0.072 0.000 0.896 238 L HN -0.050 nan 8.230 nan 0.000 0.432 239 A N -0.162 122.708 122.820 0.083 0.000 1.933 239 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 239 A C 2.220 179.836 177.584 0.052 0.000 1.175 239 A CA 1.431 53.511 52.037 0.072 0.000 0.628 239 A CB -0.325 18.706 19.000 0.051 0.000 0.814 239 A HN 0.451 nan 8.150 nan 0.000 0.444 240 E N -0.499 119.725 120.200 0.040 0.000 2.072 240 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 240 E C 1.673 178.284 176.600 0.018 0.000 0.982 240 E CA 1.133 57.549 56.400 0.027 0.000 0.803 240 E CB -0.209 29.502 29.700 0.018 0.000 0.755 240 E HN 0.677 nan 8.360 nan 0.000 0.453 241 D N 1.189 121.614 120.400 0.041 0.000 2.088 241 D HA -0.185 4.455 4.640 -0.000 0.000 0.191 241 D C 1.945 178.198 176.300 -0.078 0.000 0.992 241 D CA 0.834 54.853 54.000 0.032 0.000 0.831 241 D CB -0.147 40.743 40.800 0.149 0.000 0.973 241 D HN 0.036 nan 8.370 nan 0.000 0.447 242 I N 0.212 120.679 120.570 -0.171 0.000 2.315 242 I HA -0.253 3.917 4.170 -0.000 0.000 0.251 242 I C 1.966 177.979 176.117 -0.173 0.000 1.125 242 I CA 1.639 62.736 61.300 -0.338 0.000 1.392 242 I CB -0.579 37.245 38.000 -0.293 0.000 1.065 242 I HN 0.049 nan 8.210 nan 0.000 0.424 243 T N 0.360 114.866 114.554 -0.079 0.000 2.777 243 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 243 T C 1.729 176.352 174.700 -0.128 0.000 1.040 243 T CA 1.887 63.955 62.100 -0.055 0.000 1.141 243 T CB -0.583 68.311 68.868 0.045 0.000 0.868 243 T HN 0.516 nan 8.240 nan 0.000 0.444 244 N N 0.810 119.459 118.700 -0.085 0.000 2.069 244 N HA -0.054 4.686 4.740 -0.000 0.000 0.191 244 N C 1.855 177.282 175.510 -0.139 0.000 1.031 244 N CA 1.127 54.127 53.050 -0.083 0.000 0.852 244 N CB -0.307 38.154 38.487 -0.043 0.000 1.018 244 N HN 0.307 nan 8.380 nan 0.000 0.423 245 I N 1.195 121.670 120.570 -0.160 0.000 2.208 245 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 245 I C 2.064 178.032 176.117 -0.248 0.000 1.097 245 I CA 1.046 62.239 61.300 -0.178 0.000 1.363 245 I CB -0.272 37.612 38.000 -0.192 0.000 1.051 245 I HN 0.171 nan 8.210 nan 0.000 0.413 246 L N -0.393 120.615 121.223 -0.358 0.000 2.027 246 L HA -0.210 4.130 4.340 -0.000 0.000 0.206 246 L C 2.768 179.196 176.870 -0.737 0.000 1.074 246 L CA 1.399 55.900 54.840 -0.565 0.000 0.745 246 L CB -0.702 40.903 42.059 -0.757 0.000 0.898 246 L HN 0.218 nan 8.230 nan 0.000 0.433 247 S N -0.221 115.026 115.700 -0.755 0.000 2.374 247 S HA -0.272 4.198 4.470 -0.000 0.000 0.227 247 S C 2.098 176.609 174.600 -0.149 0.000 1.037 247 S CA 1.890 59.871 58.200 -0.366 0.000 1.024 247 S CB -0.088 63.064 63.200 -0.080 0.000 0.861 247 S HN 0.317 nan 8.310 nan 0.000 0.456 248 K N -0.682 119.630 120.400 -0.147 0.000 2.098 248 K HA 0.009 4.329 4.320 -0.000 0.000 0.203 248 K C 2.168 178.717 176.600 -0.085 0.000 1.051 248 K CA 1.373 57.609 56.287 -0.085 0.000 0.957 248 K CB -0.292 32.165 32.500 -0.072 0.000 0.738 248 K HN 0.480 nan 8.250 nan 0.000 0.447 249 c N 0.186 118.714 118.600 -0.121 0.000 2.507 249 c HA 0.054 4.624 4.570 -0.000 0.000 0.280 249 c C 2.777 176.813 174.090 -0.091 0.000 1.345 249 c CA -0.325 55.942 56.329 -0.102 0.000 1.736 249 c CB -0.767 41.672 42.510 -0.118 0.000 2.060 249 c HN 0.636 nan 8.230 nan 0.000 0.498 250 c N 0.832 119.364 118.600 -0.113 0.000 2.349 250 c HA -0.149 4.421 4.570 -0.000 0.000 0.274 250 c C 1.648 175.727 174.090 -0.019 0.000 1.178 250 c CA 1.355 57.647 56.329 -0.062 0.000 1.769 250 c CB -1.051 41.441 42.510 -0.030 0.000 2.047 250 c HN 0.581 nan 8.230 nan 0.000 0.448 251 E N 0.785 120.986 120.200 0.002 0.000 2.830 251 E HA 0.212 4.562 4.350 -0.000 0.000 0.225 251 E C -0.224 176.373 176.600 -0.005 0.000 1.109 251 E CA 0.114 56.518 56.400 0.008 0.000 1.392 251 E CB 0.620 30.341 29.700 0.036 0.000 1.349 251 E HN 0.451 nan 8.360 nan 0.000 0.433 252 S N -0.374 115.315 115.700 -0.019 0.000 2.565 252 S HA 0.536 5.006 4.470 -0.000 0.000 0.290 252 S C 1.050 175.641 174.600 -0.015 0.000 1.150 252 S CA -0.023 58.166 58.200 -0.017 0.000 1.058 252 S CB 1.554 64.738 63.200 -0.027 0.000 1.032 252 S HN 0.272 nan 8.310 nan 0.000 0.510 253 A N 3.243 126.060 122.820 -0.005 0.000 2.016 253 A HA 0.236 4.556 4.320 -0.000 0.000 0.217 253 A C 1.098 178.682 177.584 0.001 0.000 1.162 253 A CA 0.346 52.384 52.037 0.001 0.000 0.662 253 A CB -0.747 18.265 19.000 0.020 0.000 0.812 253 A HN 0.745 nan 8.150 nan 0.000 0.450 254 S N 1.139 116.839 115.700 -0.001 0.000 2.626 254 S HA -0.000 4.470 4.470 -0.000 0.000 0.303 254 S C 0.710 175.307 174.600 -0.005 0.000 1.256 254 S CA 0.116 58.316 58.200 -0.002 0.000 1.069 254 S CB 0.456 63.651 63.200 -0.007 0.000 0.807 254 S HN 0.564 nan 8.310 nan 0.000 0.500 255 E N 1.264 121.465 120.200 0.002 0.000 2.427 255 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 255 E C 0.379 176.978 176.600 -0.001 0.000 1.028 255 E CA 0.697 57.099 56.400 0.002 0.000 0.864 255 E CB 0.048 29.756 29.700 0.013 0.000 0.813 255 E HN 0.714 nan 8.360 nan 0.000 0.514 256 D N -1.130 119.267 120.400 -0.003 0.000 2.563 256 D HA 0.007 4.647 4.640 -0.000 0.000 0.237 256 D C 1.130 177.420 176.300 -0.016 0.000 1.282 256 D CA -0.386 53.611 54.000 -0.005 0.000 0.816 256 D CB -0.886 39.916 40.800 0.004 0.000 1.066 256 D HN -0.021 nan 8.370 nan 0.000 0.501 257 c N 0.166 118.750 118.600 -0.026 0.000 2.491 257 c HA -0.037 4.533 4.570 -0.000 0.000 0.283 257 c C 2.421 176.478 174.090 -0.054 0.000 1.238 257 c CA 1.275 57.582 56.329 -0.038 0.000 1.735 257 c CB -0.848 41.636 42.510 -0.044 0.000 2.080 257 c HN 0.413 nan 8.230 nan 0.000 0.463 258 M N 1.606 121.163 119.600 -0.072 0.000 2.086 258 M HA 0.015 4.495 4.480 -0.000 0.000 0.261 258 M C 2.206 178.448 176.300 -0.096 0.000 1.067 258 M CA 2.348 57.586 55.300 -0.104 0.000 1.116 258 M CB -0.865 31.661 32.600 -0.123 0.000 1.348 258 M HN 0.456 nan 8.290 nan 0.000 0.407 259 A N -0.849 121.933 122.820 -0.064 0.000 1.948 259 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 259 A C 2.154 179.738 177.584 0.001 0.000 1.177 259 A CA 2.190 54.209 52.037 -0.030 0.000 0.636 259 A CB -0.575 18.429 19.000 0.006 0.000 0.815 259 A HN 0.462 nan 8.150 nan 0.000 0.449 260 K N -0.706 119.689 120.400 -0.009 0.000 2.168 260 K HA 0.071 4.391 4.320 -0.000 0.000 0.201 260 K C 2.041 178.638 176.600 -0.005 0.000 1.049 260 K CA 0.960 57.248 56.287 0.002 0.000 0.974 260 K CB -0.049 32.451 32.500 0.001 0.000 0.792 260 K HN 0.431 nan 8.250 nan 0.000 0.463 261 E N 0.518 120.702 120.200 -0.027 0.000 2.028 261 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 261 E C 1.924 178.512 176.600 -0.019 0.000 0.988 261 E CA 0.782 57.166 56.400 -0.026 0.000 0.799 261 E CB -0.389 29.277 29.700 -0.056 0.000 0.755 261 E HN 0.069 nan 8.360 nan 0.000 0.447 262 L N 1.787 122.959 121.223 -0.086 0.000 1.990 262 L HA -0.150 4.190 4.340 -0.000 0.000 0.213 262 L C -0.759 176.091 176.870 -0.033 0.000 1.072 262 L CA 2.218 56.970 54.840 -0.146 0.000 0.755 262 L CB -1.512 40.342 42.059 -0.342 0.000 0.889 262 L HN 0.091 nan 8.230 nan 0.000 0.432 263 P HA -0.162 nan 4.420 nan 0.000 0.221 263 P C 1.279 178.627 177.300 0.080 0.000 1.150 263 P CA 1.069 64.203 63.100 0.057 0.000 0.800 263 P CB 0.166 31.917 31.700 0.086 0.000 0.787 264 E N -0.407 119.836 120.200 0.071 0.000 2.204 264 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 264 E C 2.057 178.720 176.600 0.105 0.000 0.989 264 E CA 0.938 57.380 56.400 0.070 0.000 0.824 264 E CB -0.991 28.740 29.700 0.053 0.000 0.756 264 E HN 0.296 nan 8.360 nan 0.000 0.477 265 H N -0.849 118.249 119.070 0.046 0.000 2.423 265 H HA -0.048 4.508 4.556 -0.000 0.000 0.297 265 H C 1.941 177.346 175.328 0.129 0.000 1.075 265 H CA 2.231 58.329 56.048 0.083 0.000 1.342 265 H CB -0.269 29.555 29.762 0.104 0.000 1.395 265 H HN 0.256 nan 8.280 nan 0.000 0.530 266 T N -2.461 112.127 114.554 0.056 0.000 2.904 266 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 266 T C 2.110 176.800 174.700 -0.016 0.000 1.059 266 T CA 1.053 63.167 62.100 0.023 0.000 1.137 266 T CB -0.864 68.109 68.868 0.174 0.000 0.879 266 T HN 0.133 nan 8.240 nan 0.000 0.467 267 V N 1.990 121.908 119.914 0.006 0.000 2.295 267 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 267 V C 2.819 178.897 176.094 -0.027 0.000 1.049 267 V CA 2.078 64.380 62.300 0.003 0.000 1.024 267 V CB -0.607 31.225 31.823 0.015 0.000 0.648 267 V HN 0.528 nan 8.190 nan 0.000 0.447 268 K N -0.206 120.165 120.400 -0.048 0.000 2.032 268 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 268 K C 2.208 178.747 176.600 -0.101 0.000 1.048 268 K CA 1.609 57.860 56.287 -0.060 0.000 0.927 268 K CB -0.460 32.015 32.500 -0.042 0.000 0.712 268 K HN 0.313 nan 8.250 nan 0.000 0.441 269 L N 0.873 121.985 121.223 -0.186 0.000 2.013 269 L HA -0.308 4.032 4.340 -0.000 0.000 0.212 269 L C 2.323 179.144 176.870 -0.083 0.000 1.073 269 L CA 1.472 56.206 54.840 -0.176 0.000 0.753 269 L CB -0.225 41.695 42.059 -0.232 0.000 0.890 269 L HN 0.350 nan 8.230 nan 0.000 0.432 270 c N -0.529 118.053 118.600 -0.030 0.000 2.450 270 c HA -0.098 4.471 4.570 -0.000 0.000 0.279 270 c C 2.279 176.360 174.090 -0.015 0.000 1.335 270 c CA 0.307 56.642 56.329 0.010 0.000 1.749 270 c CB -0.880 41.651 42.510 0.036 0.000 1.963 270 c HN 0.582 nan 8.230 nan 0.000 0.501 271 D N 1.202 121.586 120.400 -0.027 0.000 2.123 271 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 271 D C 1.840 178.114 176.300 -0.043 0.000 0.992 271 D CA 1.338 55.322 54.000 -0.027 0.000 0.833 271 D CB -0.416 40.369 40.800 -0.025 0.000 0.954 271 D HN 0.459 nan 8.370 nan 0.000 0.455 272 N N -0.133 118.527 118.700 -0.068 0.000 2.197 272 N HA 0.035 4.775 4.740 -0.000 0.000 0.184 272 N C 1.778 177.216 175.510 -0.120 0.000 1.030 272 N CA 0.510 53.506 53.050 -0.090 0.000 0.851 272 N CB -0.160 38.263 38.487 -0.107 0.000 1.003 272 N HN 0.200 nan 8.380 nan 0.000 0.430 273 L N 0.123 121.243 121.223 -0.172 0.000 2.585 273 L HA 0.219 4.559 4.340 -0.000 0.000 0.226 273 L C 2.040 178.852 176.870 -0.098 0.000 1.113 273 L CA 0.040 54.726 54.840 -0.256 0.000 0.876 273 L CB -0.185 41.469 42.059 -0.675 0.000 1.072 273 L HN 0.085 nan 8.230 nan 0.000 0.468 274 S N 0.947 116.638 115.700 -0.015 0.000 2.400 274 S HA -0.244 4.226 4.470 -0.000 0.000 0.234 274 S C 1.873 176.503 174.600 0.050 0.000 1.049 274 S CA 2.478 60.707 58.200 0.049 0.000 1.039 274 S CB -0.247 62.972 63.200 0.031 0.000 0.856 274 S HN 0.614 nan 8.310 nan 0.000 0.465 275 T N -2.507 112.058 114.554 0.017 0.000 3.092 275 T HA 0.377 4.727 4.350 -0.000 0.000 0.258 275 T C 1.273 175.984 174.700 0.017 0.000 1.031 275 T CA -0.496 61.617 62.100 0.021 0.000 0.925 275 T CB 0.178 69.051 68.868 0.009 0.000 1.036 275 T HN 0.145 nan 8.240 nan 0.000 0.544 276 K N 2.240 122.642 120.400 0.004 0.000 2.217 276 K HA 0.137 4.457 4.320 -0.000 0.000 0.202 276 K C 0.530 177.156 176.600 0.044 0.000 1.051 276 K CA 0.688 56.974 56.287 -0.002 0.000 0.952 276 K CB -0.245 32.214 32.500 -0.069 0.000 0.736 276 K HN 0.786 nan 8.250 nan 0.000 0.453 277 N N -2.759 115.996 118.700 0.093 0.000 2.961 277 N HA -0.015 4.725 4.740 -0.000 0.000 0.245 277 N C 0.285 175.865 175.510 0.117 0.000 1.404 277 N CA 0.015 53.130 53.050 0.108 0.000 0.880 277 N CB 0.664 39.233 38.487 0.136 0.000 1.461 277 N HN -0.198 nan 8.380 nan 0.000 0.510 278 S N -0.055 115.692 115.700 0.078 0.000 2.402 278 S HA -0.129 4.341 4.470 -0.000 0.000 0.229 278 S C 1.126 175.755 174.600 0.048 0.000 1.021 278 S CA 0.781 59.015 58.200 0.056 0.000 0.974 278 S CB -0.421 62.799 63.200 0.033 0.000 0.800 278 S HN 0.600 nan 8.310 nan 0.000 0.484 279 K N 0.184 120.609 120.400 0.041 0.000 2.057 279 K HA 0.063 4.383 4.320 -0.000 0.000 0.206 279 K C 1.698 178.244 176.600 -0.090 0.000 1.050 279 K CA 1.315 57.578 56.287 -0.042 0.000 0.935 279 K CB -0.366 32.079 32.500 -0.092 0.000 0.715 279 K HN 0.400 nan 8.250 nan 0.000 0.439 280 F N 1.662 121.612 119.950 0.001 0.000 2.325 280 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 280 F C 2.541 178.341 175.800 -0.001 0.000 1.090 280 F CA 1.071 59.069 58.000 -0.003 0.000 1.392 280 F CB 0.042 39.038 39.000 -0.006 0.000 1.053 280 F HN 0.144 nan 8.300 nan 0.000 0.521 281 E N 0.405 120.704 120.200 0.165 0.000 2.072 281 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 281 E C 1.601 178.236 176.600 0.058 0.000 0.985 281 E CA 1.663 58.122 56.400 0.099 0.000 0.801 281 E CB -0.040 29.703 29.700 0.073 0.000 0.750 281 E HN 0.237 nan 8.360 nan 0.000 0.452 282 D N 0.251 120.670 120.400 0.033 0.000 2.097 282 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 282 D C 2.053 178.358 176.300 0.007 0.000 0.989 282 D CA 1.164 55.171 54.000 0.012 0.000 0.827 282 D CB -0.714 40.083 40.800 -0.005 0.000 0.966 282 D HN 0.276 nan 8.370 nan 0.000 0.456 283 c N 0.224 118.813 118.600 -0.019 0.000 2.413 283 c HA -0.150 4.420 4.570 -0.000 0.000 0.276 283 c C 2.808 176.914 174.090 0.027 0.000 1.248 283 c CA 0.319 56.633 56.329 -0.025 0.000 1.742 283 c CB -0.824 41.615 42.510 -0.119 0.000 2.017 283 c HN 0.434 nan 8.230 nan 0.000 0.481 284 c N 0.293 118.928 118.600 0.059 0.000 2.539 284 c HA -0.023 4.547 4.570 -0.000 0.000 0.271 284 c C 2.300 176.420 174.090 0.050 0.000 1.412 284 c CA 0.596 56.967 56.329 0.069 0.000 1.729 284 c CB -1.819 40.746 42.510 0.091 0.000 1.739 284 c HN 0.654 nan 8.230 nan 0.000 0.570 285 Q N 0.243 120.067 119.800 0.040 0.000 2.356 285 Q HA 0.062 4.402 4.340 -0.000 0.000 0.205 285 Q C 0.516 176.535 176.000 0.033 0.000 0.901 285 Q CA 0.169 55.992 55.803 0.033 0.000 0.938 285 Q CB 0.287 29.041 28.738 0.027 0.000 1.081 285 Q HN 0.637 nan 8.270 nan 0.000 0.517 286 E N 1.527 121.749 120.200 0.037 0.000 2.438 286 E HA -0.097 4.253 4.350 -0.000 0.000 0.261 286 E C 0.908 177.534 176.600 0.042 0.000 1.103 286 E CA 0.346 56.770 56.400 0.041 0.000 0.959 286 E CB 0.644 30.374 29.700 0.049 0.000 0.958 286 E HN 0.278 nan 8.360 nan 0.000 0.447 287 K N 0.245 120.670 120.400 0.042 0.000 2.002 287 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 287 K C 1.234 177.859 176.600 0.042 0.000 1.048 287 K CA 1.338 57.648 56.287 0.037 0.000 0.930 287 K CB -0.352 32.169 32.500 0.034 0.000 0.714 287 K HN 0.527 nan 8.250 nan 0.000 0.438 288 T N -3.802 110.786 114.554 0.057 0.000 2.949 288 T HA 0.616 4.966 4.350 -0.000 0.000 0.287 288 T C 1.169 175.924 174.700 0.090 0.000 1.034 288 T CA -0.477 61.662 62.100 0.066 0.000 1.018 288 T CB 1.835 70.748 68.868 0.074 0.000 1.135 288 T HN 0.142 nan 8.240 nan 0.000 0.532 289 A N 1.246 124.126 122.820 0.100 0.000 1.908 289 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 289 A C 2.274 179.952 177.584 0.156 0.000 1.181 289 A CA 1.555 53.666 52.037 0.122 0.000 0.627 289 A CB -0.895 18.175 19.000 0.117 0.000 0.818 289 A HN 0.757 nan 8.150 nan 0.000 0.445 290 M N -0.104 119.591 119.600 0.158 0.000 2.419 290 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 290 M C 1.150 177.534 176.300 0.140 0.000 1.082 290 M CA 0.741 56.117 55.300 0.127 0.000 1.119 290 M CB -1.273 31.358 32.600 0.051 0.000 1.398 290 M HN 0.383 nan 8.290 nan 0.000 0.453 291 D N 0.133 120.608 120.400 0.125 0.000 2.144 291 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 291 D C 2.145 178.507 176.300 0.103 0.000 0.978 291 D CA 1.128 55.191 54.000 0.105 0.000 0.833 291 D CB 0.245 41.097 40.800 0.086 0.000 0.961 291 D HN 0.185 nan 8.370 nan 0.000 0.470 292 V N 0.722 120.704 119.914 0.113 0.000 2.453 292 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 292 V C 2.085 178.240 176.094 0.102 0.000 1.048 292 V CA 0.920 63.277 62.300 0.095 0.000 1.049 292 V CB -0.465 31.418 31.823 0.100 0.000 0.672 292 V HN 0.056 nan 8.190 nan 0.000 0.457 293 F N 1.321 121.285 119.950 0.023 0.000 2.163 293 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 293 F C 2.266 178.052 175.800 -0.023 0.000 1.094 293 F CA 1.818 59.830 58.000 0.019 0.000 1.290 293 F CB -0.091 38.913 39.000 0.007 0.000 1.017 293 F HN 0.099 nan 8.300 nan 0.000 0.483 294 V N -2.135 117.854 119.914 0.124 0.000 2.515 294 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 294 V C 2.436 178.489 176.094 -0.069 0.000 1.058 294 V CA 1.667 63.932 62.300 -0.058 0.000 1.064 294 V CB -1.766 30.077 31.823 0.033 0.000 0.675 294 V HN 0.577 nan 8.190 nan 0.000 0.461 295 c N 2.416 121.021 118.600 0.008 0.000 2.453 295 c HA -0.130 4.440 4.570 -0.000 0.000 0.277 295 c C 3.249 177.273 174.090 -0.111 0.000 1.262 295 c CA 2.161 58.493 56.329 0.005 0.000 1.718 295 c CB -1.247 41.257 42.510 -0.010 0.000 2.031 295 c HN 0.813 nan 8.230 nan 0.000 0.480 296 T N -2.279 112.156 114.554 -0.198 0.000 2.951 296 T HA -0.160 4.189 4.350 -0.000 0.000 0.268 296 T C 1.664 176.199 174.700 -0.275 0.000 1.073 296 T CA 1.519 63.439 62.100 -0.299 0.000 1.134 296 T CB -0.759 67.984 68.868 -0.209 0.000 0.884 296 T HN 0.686 nan 8.240 nan 0.000 0.479 297 Y N 1.150 121.181 120.300 -0.448 0.000 2.263 297 Y HA 0.134 4.684 4.550 -0.000 0.000 0.292 297 Y C 1.512 177.268 175.900 -0.241 0.000 1.130 297 Y CA 0.541 58.373 58.100 -0.447 0.000 1.179 297 Y CB -0.363 37.733 38.460 -0.607 0.000 0.998 297 Y HN 0.183 nan 8.280 nan 0.000 0.532 298 F N -0.080 119.757 119.950 -0.188 0.000 2.615 298 F HA 0.080 4.607 4.527 -0.000 0.000 0.297 298 F C 1.274 176.947 175.800 -0.212 0.000 1.124 298 F CA -0.087 57.788 58.000 -0.207 0.000 1.451 298 F CB -0.854 38.118 39.000 -0.046 0.000 1.103 298 F HN -0.048 nan 8.300 nan 0.000 0.569 299 M N 2.686 122.250 119.600 -0.060 0.000 2.290 299 M HA 0.033 4.513 4.480 -0.000 0.000 0.356 299 M C -2.236 174.009 176.300 -0.092 0.000 1.448 299 M CA -1.247 53.980 55.300 -0.120 0.000 0.993 299 M CB 0.393 32.829 32.600 -0.273 0.000 1.934 299 M HN -0.210 nan 8.290 nan 0.000 0.461 300 P HA 0.200 nan 4.420 nan 0.000 0.274 300 P C -1.379 175.914 177.300 -0.012 0.000 1.246 300 P CA -0.440 62.641 63.100 -0.031 0.000 0.795 300 P CB 0.500 32.187 31.700 -0.020 0.000 1.006 301 A N 1.247 124.074 122.820 0.011 0.000 2.477 301 A HA 0.467 4.787 4.320 -0.000 0.000 0.246 301 A C 0.674 178.284 177.584 0.043 0.000 1.078 301 A CA 0.103 52.162 52.037 0.035 0.000 0.770 301 A CB -0.694 18.334 19.000 0.048 0.000 1.011 301 A HN 0.604 nan 8.150 nan 0.000 0.494 302 A N 1.657 124.505 122.820 0.047 0.000 2.292 302 A HA 0.472 4.792 4.320 -0.000 0.000 0.265 302 A C 0.591 178.193 177.584 0.030 0.000 1.133 302 A CA -0.154 51.905 52.037 0.038 0.000 0.807 302 A CB -0.037 18.993 19.000 0.051 0.000 1.102 302 A HN 0.900 nan 8.150 nan 0.000 0.502 303 Q N 0.344 120.149 119.800 0.009 0.000 2.348 303 Q HA 0.414 4.754 4.340 -0.000 0.000 0.251 303 Q C -0.802 175.189 176.000 -0.015 0.000 1.113 303 Q CA 0.474 56.265 55.803 -0.019 0.000 0.902 303 Q CB -0.542 28.179 28.738 -0.028 0.000 1.333 303 Q HN 0.477 nan 8.270 nan 0.000 0.457 304 L N 5.742 126.958 121.223 -0.012 0.000 2.452 304 L HA 0.374 4.714 4.340 -0.000 0.000 0.267 304 L C -1.692 175.159 176.870 -0.032 0.000 1.188 304 L CA -2.011 52.820 54.840 -0.015 0.000 0.821 304 L CB 0.123 42.184 42.059 0.004 0.000 1.102 304 L HN 0.571 nan 8.230 nan 0.000 0.470 305 P HA 0.134 nan 4.420 nan 0.000 0.274 305 P C -1.145 176.134 177.300 -0.034 0.000 1.231 305 P CA -0.433 62.647 63.100 -0.034 0.000 0.790 305 P CB 0.501 32.179 31.700 -0.036 0.000 0.951 306 E N 1.605 121.788 120.200 -0.029 0.000 2.167 306 E HA 0.429 4.779 4.350 -0.000 0.000 0.284 306 E C -0.477 176.111 176.600 -0.019 0.000 1.016 306 E CA -0.244 56.142 56.400 -0.023 0.000 0.817 306 E CB 0.404 30.091 29.700 -0.021 0.000 1.080 306 E HN 0.312 nan 8.360 nan 0.000 0.397 307 L N 3.201 124.414 121.223 -0.018 0.000 2.409 307 L HA 0.492 4.832 4.340 -0.000 0.000 0.255 307 L C -2.353 174.514 176.870 -0.006 0.000 1.027 307 L CA -2.400 52.432 54.840 -0.015 0.000 0.834 307 L CB 1.655 43.699 42.059 -0.026 0.000 1.426 307 L HN 0.361 nan 8.230 nan 0.000 0.411 308 P HA 0.136 nan 4.420 nan 0.000 0.271 308 P C -1.187 176.121 177.300 0.014 0.000 1.216 308 P CA -0.392 62.714 63.100 0.009 0.000 0.776 308 P CB 0.293 32.000 31.700 0.011 0.000 0.881 309 D N 0.575 120.988 120.400 0.022 0.000 2.515 309 D HA -0.008 4.632 4.640 -0.000 0.000 0.232 309 D C -0.161 176.167 176.300 0.047 0.000 1.157 309 D CA 0.443 54.464 54.000 0.034 0.000 0.871 309 D CB 0.296 41.123 40.800 0.044 0.000 1.200 309 D HN -0.061 nan 8.370 nan 0.000 0.466 310 V N 2.182 122.136 119.914 0.066 0.000 2.407 310 V HA 0.120 4.240 4.120 -0.000 0.000 0.278 310 V C 0.473 176.672 176.094 0.176 0.000 1.037 310 V CA -0.664 61.702 62.300 0.109 0.000 0.900 310 V CB 1.506 33.388 31.823 0.098 0.000 0.983 310 V HN 0.398 nan 8.190 nan 0.000 0.459 311 E N 3.306 123.586 120.200 0.134 0.000 2.366 311 E HA 0.294 4.644 4.350 -0.000 0.000 0.266 311 E C -0.394 176.247 176.600 0.068 0.000 1.051 311 E CA -0.434 56.024 56.400 0.096 0.000 0.884 311 E CB 0.925 30.649 29.700 0.040 0.000 1.006 311 E HN 0.450 nan 8.360 nan 0.000 0.417 312 L N 5.457 126.669 121.223 -0.019 0.000 2.506 312 L HA 0.172 4.512 4.340 -0.000 0.000 0.281 312 L C -2.002 174.699 176.870 -0.281 0.000 1.228 312 L CA -1.012 53.680 54.840 -0.246 0.000 0.850 312 L CB -0.247 41.736 42.059 -0.127 0.000 1.110 312 L HN 0.618 nan 8.230 nan 0.000 0.496 313 P HA 0.078 nan 4.420 nan 0.000 0.266 313 P C -0.724 176.451 177.300 -0.209 0.000 1.195 313 P CA -0.179 62.754 63.100 -0.279 0.000 0.768 313 P CB 0.170 31.692 31.700 -0.297 0.000 0.838 314 T N -0.673 113.774 114.554 -0.178 0.000 2.802 314 T HA 0.049 4.399 4.350 -0.000 0.000 0.305 314 T C 1.167 175.664 174.700 -0.337 0.000 1.053 314 T CA -0.095 61.877 62.100 -0.213 0.000 1.058 314 T CB 0.093 68.870 68.868 -0.152 0.000 0.988 314 T HN 0.316 nan 8.240 nan 0.000 0.539 315 N N 0.343 118.744 118.700 -0.499 0.000 2.166 315 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 315 N C 1.821 177.080 175.510 -0.419 0.000 1.019 315 N CA 0.897 53.450 53.050 -0.829 0.000 0.856 315 N CB -0.174 37.788 38.487 -0.875 0.000 0.993 315 N HN 0.526 nan 8.380 nan 0.000 0.426 316 K N 1.578 121.830 120.400 -0.247 0.000 2.026 316 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 316 K C 1.276 177.812 176.600 -0.107 0.000 1.048 316 K CA 1.380 57.585 56.287 -0.137 0.000 0.929 316 K CB -0.142 32.300 32.500 -0.097 0.000 0.713 316 K HN 0.090 nan 8.250 nan 0.000 0.439 317 D N -0.256 120.074 120.400 -0.117 0.000 2.104 317 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 317 D C 1.926 178.187 176.300 -0.065 0.000 0.994 317 D CA 1.462 55.414 54.000 -0.079 0.000 0.830 317 D CB -0.255 40.495 40.800 -0.083 0.000 0.959 317 D HN 0.049 nan 8.370 nan 0.000 0.452 318 V N 0.793 120.649 119.914 -0.097 0.000 2.343 318 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 318 V C 2.636 178.751 176.094 0.036 0.000 1.051 318 V CA 1.422 63.710 62.300 -0.020 0.000 1.036 318 V CB -0.535 31.299 31.823 0.019 0.000 0.654 318 V HN 0.277 nan 8.190 nan 0.000 0.451 319 c N -1.507 117.105 118.600 0.019 0.000 2.512 319 c HA 0.150 4.720 4.570 -0.000 0.000 0.276 319 c C 1.147 175.249 174.090 0.021 0.000 1.368 319 c CA -0.934 55.426 56.329 0.052 0.000 1.755 319 c CB -0.721 41.833 42.510 0.074 0.000 2.008 319 c HN 0.477 nan 8.230 nan 0.000 0.511 320 D N 1.622 122.020 120.400 -0.003 0.000 2.548 320 D HA 0.105 4.745 4.640 -0.000 0.000 0.231 320 D C -2.327 173.975 176.300 0.004 0.000 1.142 320 D CA 0.009 54.006 54.000 -0.004 0.000 0.866 320 D CB 0.448 41.239 40.800 -0.015 0.000 1.190 320 D HN 0.222 nan 8.370 nan 0.000 0.469 321 P HA 0.238 nan 4.420 nan 0.000 0.277 321 P C -0.272 177.030 177.300 0.004 0.000 1.240 321 P CA -0.244 62.859 63.100 0.006 0.000 0.798 321 P CB 1.010 32.713 31.700 0.005 0.000 0.979 322 G N 2.422 111.225 108.800 0.006 0.000 2.370 322 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.293 322 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.293 322 G C 0.374 175.277 174.900 0.005 0.000 0.992 322 G CA 0.184 45.287 45.100 0.005 0.000 1.247 322 G HN 0.744 nan 8.290 nan 0.000 0.505 323 N N -1.024 117.680 118.700 0.008 0.000 2.200 323 N HA 0.049 4.789 4.740 -0.000 0.000 0.224 323 N C 1.384 176.903 175.510 0.015 0.000 1.179 323 N CA 0.686 53.741 53.050 0.008 0.000 0.877 323 N CB -0.129 38.361 38.487 0.004 0.000 1.072 323 N HN 0.216 nan 8.380 nan 0.000 0.519 324 T N 0.830 115.393 114.554 0.016 0.000 2.652 324 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 324 T C 1.582 176.297 174.700 0.026 0.000 1.039 324 T CA 1.119 63.232 62.100 0.022 0.000 1.153 324 T CB -0.009 68.868 68.868 0.017 0.000 0.863 324 T HN 0.124 nan 8.240 nan 0.000 0.428 325 K N 0.852 121.262 120.400 0.016 0.000 2.113 325 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 325 K C 2.262 178.881 176.600 0.032 0.000 1.047 325 K CA 0.972 57.268 56.287 0.014 0.000 0.928 325 K CB -0.841 31.660 32.500 0.003 0.000 0.716 325 K HN 0.241 nan 8.250 nan 0.000 0.446 326 V N 1.140 121.074 119.914 0.032 0.000 2.343 326 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 326 V C 2.441 178.585 176.094 0.082 0.000 1.051 326 V CA 1.448 63.774 62.300 0.044 0.000 1.036 326 V CB -0.300 31.533 31.823 0.018 0.000 0.654 326 V HN 0.295 nan 8.190 nan 0.000 0.451 327 M N -0.845 118.801 119.600 0.077 0.000 2.254 327 M HA -0.076 4.403 4.480 -0.000 0.000 0.265 327 M C 1.881 178.276 176.300 0.159 0.000 1.066 327 M CA 1.312 56.685 55.300 0.122 0.000 1.123 327 M CB -1.234 31.416 32.600 0.083 0.000 1.388 327 M HN 0.342 nan 8.290 nan 0.000 0.425 328 D N 0.312 120.774 120.400 0.103 0.000 2.117 328 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 328 D C 1.977 178.354 176.300 0.128 0.000 0.982 328 D CA 1.089 55.143 54.000 0.090 0.000 0.828 328 D CB -0.126 40.697 40.800 0.038 0.000 0.967 328 D HN 0.351 nan 8.370 nan 0.000 0.464 329 K N -0.333 120.145 120.400 0.130 0.000 2.148 329 K HA -0.190 4.130 4.320 -0.000 0.000 0.204 329 K C 2.176 178.920 176.600 0.241 0.000 1.050 329 K CA 0.684 57.078 56.287 0.178 0.000 0.942 329 K CB -0.104 32.474 32.500 0.130 0.000 0.724 329 K HN 0.068 nan 8.250 nan 0.000 0.446 330 Y N 1.519 121.876 120.300 0.096 0.000 2.133 330 Y HA -0.195 4.355 4.550 -0.000 0.000 0.287 330 Y C 2.061 178.009 175.900 0.081 0.000 1.134 330 Y CA 2.217 60.361 58.100 0.074 0.000 1.133 330 Y CB -0.756 37.731 38.460 0.046 0.000 0.987 330 Y HN 0.010 nan 8.280 nan 0.000 0.502 331 T N 1.305 115.811 114.554 -0.080 0.000 2.699 331 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 331 T C 1.568 176.228 174.700 -0.067 0.000 1.036 331 T CA 1.854 63.867 62.100 -0.145 0.000 1.147 331 T CB -0.902 67.980 68.868 0.023 0.000 0.862 331 T HN 0.470 nan 8.240 nan 0.000 0.446 332 F N 2.123 122.018 119.950 -0.093 0.000 2.060 332 F HA -0.037 4.490 4.527 -0.000 0.000 0.295 332 F C 2.430 178.184 175.800 -0.076 0.000 1.120 332 F CA 1.496 59.459 58.000 -0.062 0.000 1.205 332 F CB -0.520 38.463 39.000 -0.028 0.000 0.986 332 F HN -0.040 nan 8.300 nan 0.000 0.470 333 E N 0.527 120.656 120.200 -0.119 0.000 2.097 333 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 333 E C 2.020 178.456 176.600 -0.273 0.000 1.000 333 E CA 1.587 57.844 56.400 -0.238 0.000 0.804 333 E CB -0.773 28.930 29.700 0.005 0.000 0.740 333 E HN 0.469 nan 8.360 nan 0.000 0.454 334 L N -0.143 120.901 121.223 -0.299 0.000 1.988 334 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 334 L C 2.168 178.908 176.870 -0.217 0.000 1.071 334 L CA 1.943 56.611 54.840 -0.286 0.000 0.744 334 L CB -0.936 40.836 42.059 -0.479 0.000 0.893 334 L HN -0.005 nan 8.230 nan 0.000 0.433 335 S N 0.357 115.927 115.700 -0.217 0.000 2.387 335 S HA -0.248 4.222 4.470 -0.000 0.000 0.230 335 S C 1.754 176.261 174.600 -0.155 0.000 1.035 335 S CA 1.766 59.880 58.200 -0.143 0.000 1.014 335 S CB -0.601 62.542 63.200 -0.095 0.000 0.836 335 S HN 0.628 nan 8.310 nan 0.000 0.466 336 R N 1.681 122.015 120.500 -0.277 0.000 2.323 336 R HA 0.095 4.435 4.340 -0.000 0.000 0.198 336 R C 1.670 177.872 176.300 -0.163 0.000 0.988 336 R CA 0.734 56.678 56.100 -0.259 0.000 1.041 336 R CB -0.310 29.700 30.300 -0.482 0.000 0.926 336 R HN 0.410 nan 8.270 nan 0.000 0.476 337 R N -0.236 120.184 120.500 -0.133 0.000 2.531 337 R HA 0.175 4.515 4.340 -0.000 0.000 0.316 337 R C -0.814 175.468 176.300 -0.031 0.000 0.955 337 R CA -0.190 55.865 56.100 -0.076 0.000 1.120 337 R CB 0.611 30.863 30.300 -0.080 0.000 1.361 337 R HN -0.087 nan 8.270 nan 0.000 0.534 338 T N 1.632 116.171 114.554 -0.025 0.000 2.758 338 T HA 0.138 4.488 4.350 -0.000 0.000 0.285 338 T C -1.189 173.540 174.700 0.049 0.000 0.981 338 T CA -0.377 61.729 62.100 0.011 0.000 0.965 338 T CB 1.346 70.211 68.868 -0.005 0.000 0.927 338 T HN 0.178 nan 8.240 nan 0.000 0.448 339 H N 3.628 122.676 119.070 -0.036 0.000 2.982 339 H HA 0.593 5.149 4.556 -0.000 0.000 0.261 339 H C -0.894 174.398 175.328 -0.060 0.000 1.603 339 H CA -0.723 55.301 56.048 -0.040 0.000 1.398 339 H CB -0.614 29.127 29.762 -0.036 0.000 1.693 339 H HN 0.322 nan 8.280 nan 0.000 0.535 340 L N 5.366 126.437 121.223 -0.253 0.000 2.505 340 L HA 0.484 4.824 4.340 -0.000 0.000 0.259 340 L C -2.735 174.048 176.870 -0.144 0.000 0.952 340 L CA -2.011 52.663 54.840 -0.276 0.000 0.840 340 L CB 2.167 44.144 42.059 -0.137 0.000 1.358 340 L HN 0.312 nan 8.230 nan 0.000 0.409 341 P HA 0.116 nan 4.420 nan 0.000 0.269 341 P C 0.105 177.502 177.300 0.161 0.000 1.209 341 P CA -0.058 63.071 63.100 0.047 0.000 0.776 341 P CB 0.582 32.363 31.700 0.135 0.000 0.876 342 E N 2.390 122.661 120.200 0.118 0.000 2.118 342 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 342 E C 1.457 178.164 176.600 0.178 0.000 0.992 342 E CA 1.934 58.408 56.400 0.125 0.000 0.804 342 E CB -0.424 29.333 29.700 0.095 0.000 0.741 342 E HN 0.265 nan 8.360 nan 0.000 0.458 343 V N -1.120 118.911 119.914 0.196 0.000 2.469 343 V HA -0.212 3.908 4.120 -0.000 0.000 0.251 343 V C 2.313 178.498 176.094 0.151 0.000 1.064 343 V CA 1.708 64.112 62.300 0.174 0.000 1.066 343 V CB -1.191 30.679 31.823 0.080 0.000 0.667 343 V HN 0.018 nan 8.190 nan 0.000 0.461 344 F N 0.321 120.363 119.950 0.152 0.000 2.074 344 F HA 0.094 4.621 4.527 -0.000 0.000 0.293 344 F C 2.311 178.297 175.800 0.309 0.000 1.116 344 F CA 1.832 59.993 58.000 0.268 0.000 1.212 344 F CB -0.552 38.544 39.000 0.161 0.000 0.998 344 F HN 0.010 nan 8.300 nan 0.000 0.471 345 L N -1.010 120.440 121.223 0.379 0.000 2.079 345 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 345 L C 2.475 179.401 176.870 0.095 0.000 1.081 345 L CA 1.304 56.270 54.840 0.212 0.000 0.752 345 L CB -0.717 41.414 42.059 0.120 0.000 0.896 345 L HN 0.108 nan 8.230 nan 0.000 0.433 346 S N -0.194 115.552 115.700 0.076 0.000 2.383 346 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 346 S C 1.825 176.412 174.600 -0.023 0.000 1.026 346 S CA 1.574 59.762 58.200 -0.020 0.000 0.981 346 S CB -0.073 63.080 63.200 -0.078 0.000 0.818 346 S HN 0.488 nan 8.310 nan 0.000 0.472 347 K N 0.577 120.992 120.400 0.024 0.000 2.366 347 K HA 0.169 4.489 4.320 -0.000 0.000 0.198 347 K C 1.692 178.190 176.600 -0.169 0.000 1.044 347 K CA 0.654 56.925 56.287 -0.026 0.000 0.973 347 K CB -0.029 32.481 32.500 0.017 0.000 0.767 347 K HN 0.208 nan 8.250 nan 0.000 0.475 348 V N 0.925 120.689 119.914 -0.250 0.000 2.672 348 V HA 0.036 4.156 4.120 -0.000 0.000 0.242 348 V C 1.892 177.877 176.094 -0.182 0.000 1.059 348 V CA 0.452 62.492 62.300 -0.434 0.000 1.081 348 V CB -0.061 31.286 31.823 -0.793 0.000 0.752 348 V HN 0.326 nan 8.190 nan 0.000 0.472 349 L N 0.501 121.678 121.223 -0.076 0.000 2.083 349 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 349 L C 2.622 179.492 176.870 0.001 0.000 1.083 349 L CA 2.197 57.041 54.840 0.007 0.000 0.752 349 L CB -0.671 41.404 42.059 0.027 0.000 0.899 349 L HN 0.517 nan 8.230 nan 0.000 0.433 350 E N 0.996 121.174 120.200 -0.036 0.000 2.023 350 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 350 E C -0.451 176.130 176.600 -0.031 0.000 1.003 350 E CA 1.641 58.020 56.400 -0.034 0.000 0.809 350 E CB -0.807 28.862 29.700 -0.050 0.000 0.755 350 E HN 0.307 nan 8.360 nan 0.000 0.449 351 P HA -0.025 nan 4.420 nan 0.000 0.216 351 P C 1.397 178.674 177.300 -0.039 0.000 1.153 351 P CA 1.674 64.744 63.100 -0.050 0.000 0.844 351 P CB -0.156 31.499 31.700 -0.075 0.000 0.787 352 T N 0.244 114.773 114.554 -0.041 0.000 2.653 352 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 352 T C 1.708 176.411 174.700 0.004 0.000 1.035 352 T CA 1.366 63.457 62.100 -0.015 0.000 1.154 352 T CB -1.040 67.834 68.868 0.010 0.000 0.862 352 T HN 0.056 nan 8.240 nan 0.000 0.441 353 L N 0.871 122.105 121.223 0.018 0.000 2.056 353 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 353 L C 2.612 179.489 176.870 0.012 0.000 1.078 353 L CA 1.388 56.241 54.840 0.022 0.000 0.749 353 L CB -0.579 41.505 42.059 0.042 0.000 0.901 353 L HN 0.331 nan 8.230 nan 0.000 0.433 354 K N -0.230 120.170 120.400 -0.001 0.000 2.147 354 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 354 K C 2.076 178.663 176.600 -0.022 0.000 1.049 354 K CA 1.834 58.116 56.287 -0.009 0.000 0.936 354 K CB -0.745 31.745 32.500 -0.016 0.000 0.722 354 K HN 0.064 nan 8.250 nan 0.000 0.446 355 S N 0.473 116.157 115.700 -0.027 0.000 2.338 355 S HA 0.000 4.470 4.470 -0.000 0.000 0.218 355 S C 1.846 176.408 174.600 -0.064 0.000 1.032 355 S CA 1.015 59.188 58.200 -0.046 0.000 0.999 355 S CB -0.475 62.702 63.200 -0.040 0.000 0.905 355 S HN 0.400 nan 8.310 nan 0.000 0.439 356 L N 1.020 122.230 121.223 -0.022 0.000 2.189 356 L HA -0.114 4.226 4.340 -0.000 0.000 0.214 356 L C 2.597 179.468 176.870 0.001 0.000 1.097 356 L CA 1.201 56.054 54.840 0.021 0.000 0.764 356 L CB -0.880 41.263 42.059 0.139 0.000 0.900 356 L HN 0.548 nan 8.230 nan 0.000 0.436 357 G N -0.760 108.045 108.800 0.007 0.000 2.443 357 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 357 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 357 G C 1.355 176.226 174.900 -0.048 0.000 1.131 357 G CA 0.364 45.474 45.100 0.017 0.000 0.775 357 G HN 0.441 nan 8.290 nan 0.000 0.547 358 E N -0.281 119.857 120.200 -0.105 0.000 2.110 358 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 358 E C 2.486 178.968 176.600 -0.197 0.000 0.988 358 E CA 0.979 57.304 56.400 -0.124 0.000 0.804 358 E CB -0.274 29.355 29.700 -0.119 0.000 0.745 358 E HN 0.435 nan 8.360 nan 0.000 0.458 359 C N 0.422 119.481 119.300 -0.401 0.000 2.410 359 C HA -0.151 4.309 4.460 -0.000 0.000 0.281 359 C C 2.751 177.570 174.990 -0.285 0.000 1.318 359 C CA 0.168 58.810 59.018 -0.627 0.000 1.776 359 C CB -1.024 25.613 27.740 -1.837 0.000 1.942 359 C HN 0.605 nan 8.230 nan 0.000 0.508 360 c N 0.535 119.092 118.600 -0.072 0.000 2.467 360 c HA -0.042 4.528 4.570 -0.000 0.000 0.279 360 c C 2.104 176.212 174.090 0.029 0.000 1.347 360 c CA 0.842 57.229 56.329 0.097 0.000 1.748 360 c CB -1.293 41.299 42.510 0.136 0.000 1.977 360 c HN 0.601 nan 8.230 nan 0.000 0.501 361 D N 0.862 121.253 120.400 -0.015 0.000 2.087 361 D HA -0.041 4.599 4.640 -0.000 0.000 0.203 361 D C 0.837 177.126 176.300 -0.019 0.000 0.976 361 D CA 0.679 54.670 54.000 -0.015 0.000 0.865 361 D CB -0.757 40.027 40.800 -0.026 0.000 1.005 361 D HN 0.091 nan 8.370 nan 0.000 0.449 362 V N 2.143 122.033 119.914 -0.039 0.000 2.681 362 V HA -0.093 4.026 4.120 -0.000 0.000 0.306 362 V C 0.463 176.545 176.094 -0.020 0.000 1.077 362 V CA 0.249 62.528 62.300 -0.035 0.000 1.224 362 V CB 0.091 31.882 31.823 -0.053 0.000 0.879 362 V HN 0.160 nan 8.190 nan 0.000 0.494 363 E N 3.400 123.594 120.200 -0.010 0.000 2.508 363 E HA 0.099 4.449 4.350 -0.000 0.000 0.266 363 E C 0.310 176.913 176.600 0.005 0.000 1.010 363 E CA 0.689 57.090 56.400 0.001 0.000 0.955 363 E CB -0.070 29.630 29.700 0.001 0.000 0.946 363 E HN 0.770 nan 8.360 nan 0.000 0.454 364 D N 0.764 121.175 120.400 0.019 0.000 4.520 364 D HA -0.159 4.481 4.640 -0.000 0.000 0.245 364 D C 0.329 176.659 176.300 0.050 0.000 1.068 364 D CA 0.843 54.861 54.000 0.029 0.000 1.211 364 D CB -0.858 39.952 40.800 0.017 0.000 0.818 364 D HN 0.280 nan 8.370 nan 0.000 0.392 365 S N 1.736 117.492 115.700 0.092 0.000 2.326 365 S HA -0.059 4.411 4.470 -0.000 0.000 0.211 365 S C 0.884 175.632 174.600 0.247 0.000 1.031 365 S CA 1.589 59.910 58.200 0.201 0.000 0.985 365 S CB 0.042 63.374 63.200 0.220 0.000 0.961 365 S HN 0.542 nan 8.310 nan 0.000 0.436 366 T N 2.159 116.811 114.554 0.163 0.000 3.058 366 T HA 0.310 4.660 4.350 -0.000 0.000 0.249 366 T C 0.544 175.301 174.700 0.095 0.000 0.949 366 T CA 0.735 62.911 62.100 0.127 0.000 1.204 366 T CB -0.722 68.180 68.868 0.057 0.000 0.963 366 T HN 0.810 nan 8.240 nan 0.000 0.634 367 T N -1.997 112.622 114.554 0.109 0.000 4.022 367 T HA -0.093 4.257 4.350 -0.000 0.000 0.322 367 T C 1.713 176.437 174.700 0.040 0.000 0.840 367 T CA 0.179 62.314 62.100 0.057 0.000 1.260 367 T CB -0.814 68.073 68.868 0.032 0.000 0.936 367 T HN 0.468 nan 8.240 nan 0.000 0.474 368 C N 1.183 120.486 119.300 0.005 0.000 2.440 368 C HA 0.267 4.727 4.460 -0.000 0.000 0.278 368 C C 2.094 177.035 174.990 -0.082 0.000 1.295 368 C CA 0.692 59.661 59.018 -0.082 0.000 1.738 368 C CB -1.954 25.677 27.740 -0.182 0.000 1.987 368 C HN 0.539 nan 8.230 nan 0.000 0.492 369 F N 1.837 121.779 119.950 -0.014 0.000 2.641 369 F HA 0.002 4.528 4.527 -0.000 0.000 0.298 369 F C 1.799 177.590 175.800 -0.014 0.000 1.146 369 F CA 1.358 59.347 58.000 -0.017 0.000 1.464 369 F CB -0.559 38.429 39.000 -0.020 0.000 1.101 369 F HN 0.384 nan 8.300 nan 0.000 0.585 370 N N -0.860 117.928 118.700 0.147 0.000 2.409 370 N HA 0.086 4.826 4.740 -0.000 0.000 0.174 370 N C 1.823 177.364 175.510 0.052 0.000 1.037 370 N CA 0.853 53.955 53.050 0.088 0.000 0.898 370 N CB -0.130 38.395 38.487 0.063 0.000 1.010 370 N HN 0.159 nan 8.380 nan 0.000 0.445 371 A N 0.741 123.580 122.820 0.031 0.000 1.887 371 A HA 0.065 4.385 4.320 -0.000 0.000 0.210 371 A C 1.940 179.526 177.584 0.003 0.000 1.221 371 A CA 0.772 52.815 52.037 0.010 0.000 0.635 371 A CB -0.244 18.751 19.000 -0.008 0.000 0.881 371 A HN 0.100 nan 8.150 nan 0.000 0.456 372 K N -0.241 120.148 120.400 -0.018 0.000 2.167 372 K HA -0.028 4.292 4.320 -0.000 0.000 0.203 372 K C 1.944 178.553 176.600 0.015 0.000 1.052 372 K CA 1.076 57.346 56.287 -0.028 0.000 0.956 372 K CB -0.412 32.030 32.500 -0.096 0.000 0.735 372 K HN 0.363 nan 8.250 nan 0.000 0.451 373 G N 1.933 110.773 108.800 0.067 0.000 2.545 373 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.217 373 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.217 373 G C -1.008 173.930 174.900 0.063 0.000 1.218 373 G CA 0.677 45.843 45.100 0.110 0.000 0.787 373 G HN 0.342 nan 8.290 nan 0.000 0.571 374 P HA -0.009 nan 4.420 nan 0.000 0.218 374 P C 2.007 179.328 177.300 0.034 0.000 1.149 374 P CA 0.443 63.566 63.100 0.038 0.000 0.817 374 P CB -0.070 31.650 31.700 0.033 0.000 0.785 375 L N -1.218 120.022 121.223 0.028 0.000 2.017 375 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 375 L C 1.905 178.791 176.870 0.027 0.000 1.073 375 L CA 1.928 56.781 54.840 0.023 0.000 0.745 375 L CB -1.201 40.865 42.059 0.011 0.000 0.894 375 L HN -0.157 nan 8.230 nan 0.000 0.432 376 L N 0.002 121.240 121.223 0.026 0.000 2.093 376 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 376 L C 2.532 179.428 176.870 0.042 0.000 1.085 376 L CA 1.786 56.642 54.840 0.027 0.000 0.755 376 L CB -1.117 40.955 42.059 0.023 0.000 0.904 376 L HN 0.386 nan 8.230 nan 0.000 0.435 377 K N 0.568 120.996 120.400 0.046 0.000 1.978 377 K HA -0.281 4.039 4.320 -0.000 0.000 0.214 377 K C 2.159 178.797 176.600 0.064 0.000 1.049 377 K CA 2.047 58.368 56.287 0.057 0.000 0.939 377 K CB -0.012 32.518 32.500 0.050 0.000 0.721 377 K HN 0.294 nan 8.250 nan 0.000 0.441 378 K N 0.922 121.355 120.400 0.055 0.000 2.032 378 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 378 K C 1.847 178.492 176.600 0.075 0.000 1.048 378 K CA 2.144 58.466 56.287 0.059 0.000 0.927 378 K CB -0.557 31.971 32.500 0.047 0.000 0.712 378 K HN 0.297 nan 8.250 nan 0.000 0.441 379 E N 0.052 120.292 120.200 0.067 0.000 2.130 379 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 379 E C 1.873 178.542 176.600 0.115 0.000 0.998 379 E CA 1.353 57.801 56.400 0.080 0.000 0.806 379 E CB -0.172 29.557 29.700 0.048 0.000 0.738 379 E HN 0.345 nan 8.360 nan 0.000 0.459 380 L N -0.087 121.196 121.223 0.100 0.000 2.095 380 L HA -0.031 4.309 4.340 -0.000 0.000 0.204 380 L C 2.266 179.247 176.870 0.186 0.000 1.080 380 L CA 1.585 56.501 54.840 0.127 0.000 0.759 380 L CB -0.507 41.612 42.059 0.100 0.000 0.914 380 L HN -0.102 nan 8.230 nan 0.000 0.439 381 S N -1.190 114.591 115.700 0.136 0.000 2.356 381 S HA -0.228 4.242 4.470 -0.000 0.000 0.223 381 S C 2.242 176.917 174.600 0.125 0.000 1.032 381 S CA 1.660 59.931 58.200 0.118 0.000 1.005 381 S CB -0.594 62.657 63.200 0.085 0.000 0.867 381 S HN 0.705 nan 8.310 nan 0.000 0.449 382 S N 0.210 115.986 115.700 0.127 0.000 2.351 382 S HA -0.181 4.289 4.470 -0.000 0.000 0.220 382 S C 1.655 176.343 174.600 0.146 0.000 1.035 382 S CA 1.801 60.069 58.200 0.114 0.000 1.031 382 S CB -0.946 62.320 63.200 0.109 0.000 0.928 382 S HN 0.619 nan 8.310 nan 0.000 0.433 383 F N 1.735 121.721 119.950 0.060 0.000 2.147 383 F HA -0.157 4.370 4.527 -0.000 0.000 0.301 383 F C 1.859 177.715 175.800 0.094 0.000 1.084 383 F CA 1.899 59.951 58.000 0.086 0.000 1.268 383 F CB -0.291 38.766 39.000 0.094 0.000 1.009 383 F HN 0.284 nan 8.300 nan 0.000 0.486 384 I N -0.160 120.537 120.570 0.211 0.000 2.233 384 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 384 I C 2.026 178.114 176.117 -0.048 0.000 1.093 384 I CA 1.341 62.690 61.300 0.081 0.000 1.380 384 I CB -0.629 37.452 38.000 0.135 0.000 1.067 384 I HN 0.065 nan 8.210 nan 0.000 0.413 385 D N 1.336 121.732 120.400 -0.007 0.000 2.123 385 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 385 D C 2.126 178.386 176.300 -0.068 0.000 0.992 385 D CA 1.293 55.278 54.000 -0.025 0.000 0.833 385 D CB -0.162 40.641 40.800 0.006 0.000 0.954 385 D HN 0.366 nan 8.370 nan 0.000 0.455 386 K N 0.375 120.722 120.400 -0.088 0.000 2.057 386 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 386 K C 2.243 178.735 176.600 -0.180 0.000 1.050 386 K CA 1.071 57.293 56.287 -0.109 0.000 0.935 386 K CB -0.262 32.177 32.500 -0.101 0.000 0.715 386 K HN 0.084 nan 8.250 nan 0.000 0.439 387 G N 1.654 110.263 108.800 -0.317 0.000 2.421 387 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 387 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 387 G C 1.319 175.929 174.900 -0.483 0.000 1.171 387 G CA 0.462 45.232 45.100 -0.550 0.000 0.775 387 G HN 0.317 nan 8.290 nan 0.000 0.543 388 Q N -0.180 119.434 119.800 -0.310 0.000 2.291 388 Q HA -0.095 4.245 4.340 -0.000 0.000 0.206 388 Q C 2.270 178.207 176.000 -0.105 0.000 0.976 388 Q CA 1.291 56.974 55.803 -0.199 0.000 0.875 388 Q CB -0.005 28.675 28.738 -0.095 0.000 0.927 388 Q HN 0.576 nan 8.270 nan 0.000 0.450 389 E N 1.095 121.241 120.200 -0.090 0.000 2.060 389 E HA -0.072 4.278 4.350 -0.000 0.000 0.189 389 E C 1.736 178.338 176.600 0.005 0.000 0.974 389 E CA 0.614 56.998 56.400 -0.026 0.000 0.808 389 E CB -0.168 29.517 29.700 -0.026 0.000 0.768 389 E HN 0.266 nan 8.360 nan 0.000 0.453 390 L N -0.171 121.040 121.223 -0.019 0.000 2.079 390 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 390 L C 1.552 178.512 176.870 0.150 0.000 1.081 390 L CA 0.917 55.812 54.840 0.093 0.000 0.752 390 L CB -0.154 42.007 42.059 0.170 0.000 0.896 390 L HN 0.291 nan 8.230 nan 0.000 0.433 391 c N -0.346 118.244 118.600 -0.016 0.000 2.435 391 c HA 0.414 4.984 4.570 -0.000 0.000 0.326 391 c C 2.204 176.338 174.090 0.074 0.000 1.328 391 c CA -0.518 55.789 56.329 -0.037 0.000 1.741 391 c CB -1.763 40.601 42.510 -0.243 0.000 1.998 391 c HN 0.568 nan 8.230 nan 0.000 0.585 392 A N 2.564 125.478 122.820 0.157 0.000 2.557 392 A HA -0.345 3.975 4.320 -0.000 0.000 0.260 392 A C 1.471 179.192 177.584 0.228 0.000 2.292 392 A CA 2.726 54.888 52.037 0.208 0.000 1.035 392 A CB -0.829 18.349 19.000 0.297 0.000 0.477 392 A HN 0.627 nan 8.150 nan 0.000 0.426 393 D N -3.242 117.376 120.400 0.363 0.000 2.431 393 D HA 0.181 4.821 4.640 -0.000 0.000 0.213 393 D C 1.110 177.530 176.300 0.200 0.000 1.130 393 D CA 0.372 54.542 54.000 0.283 0.000 0.834 393 D CB -0.034 40.937 40.800 0.285 0.000 0.985 393 D HN 0.570 nan 8.370 nan 0.000 0.504 394 Y N 2.614 122.811 120.300 -0.171 0.000 2.062 394 Y HA -0.372 4.178 4.550 -0.000 0.000 0.276 394 Y C 2.383 178.178 175.900 -0.174 0.000 1.189 394 Y CA 2.034 59.819 58.100 -0.525 0.000 1.130 394 Y CB -0.086 38.023 38.460 -0.586 0.000 0.959 394 Y HN -0.118 nan 8.280 nan 0.000 0.499 395 S N -0.252 115.491 115.700 0.071 0.000 2.383 395 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 395 S C 1.544 176.139 174.600 -0.009 0.000 1.026 395 S CA 1.396 59.629 58.200 0.054 0.000 0.981 395 S CB -0.271 63.050 63.200 0.203 0.000 0.818 395 S HN 0.487 nan 8.310 nan 0.000 0.472 396 E N 1.508 121.721 120.200 0.022 0.000 2.338 396 E HA 0.055 4.405 4.350 -0.000 0.000 0.197 396 E C 0.138 176.730 176.600 -0.013 0.000 1.007 396 E CA 0.579 56.981 56.400 0.003 0.000 0.849 396 E CB -0.082 29.631 29.700 0.021 0.000 0.774 396 E HN 0.579 nan 8.360 nan 0.000 0.506 397 N N -1.593 117.087 118.700 -0.032 0.000 2.831 397 N HA 0.305 5.045 4.740 -0.000 0.000 0.276 397 N C -1.115 174.363 175.510 -0.053 0.000 1.416 397 N CA -0.661 52.377 53.050 -0.020 0.000 0.799 397 N CB 0.964 39.471 38.487 0.034 0.000 1.554 397 N HN -0.092 nan 8.380 nan 0.000 0.541 398 T N -2.107 112.441 114.554 -0.010 0.000 2.860 398 T HA 0.137 4.487 4.350 -0.000 0.000 0.299 398 T C 0.659 175.412 174.700 0.088 0.000 1.045 398 T CA -0.420 61.687 62.100 0.013 0.000 1.071 398 T CB 0.206 69.088 68.868 0.024 0.000 0.985 398 T HN 0.356 nan 8.240 nan 0.000 0.537 399 F N 1.917 121.831 119.950 -0.060 0.000 2.126 399 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 399 F C 2.599 178.464 175.800 0.108 0.000 1.096 399 F CA 2.016 60.038 58.000 0.036 0.000 1.255 399 F CB -1.271 37.752 39.000 0.038 0.000 0.997 399 F HN 0.745 nan 8.300 nan 0.000 0.479 400 T N -0.461 114.130 114.554 0.062 0.000 2.635 400 T HA -0.258 4.092 4.350 -0.000 0.000 0.267 400 T C 1.765 176.416 174.700 -0.081 0.000 1.040 400 T CA 1.872 63.945 62.100 -0.045 0.000 1.156 400 T CB -0.333 68.542 68.868 0.012 0.000 0.863 400 T HN 0.165 nan 8.240 nan 0.000 0.430 401 E N -0.026 120.160 120.200 -0.024 0.000 2.152 401 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 401 E C 1.755 178.337 176.600 -0.031 0.000 0.983 401 E CA 0.623 57.007 56.400 -0.027 0.000 0.818 401 E CB -0.372 29.328 29.700 0.000 0.000 0.758 401 E HN 0.648 nan 8.360 nan 0.000 0.467 402 Y N 1.236 121.463 120.300 -0.122 0.000 2.181 402 Y HA -0.161 4.389 4.550 -0.000 0.000 0.288 402 Y C 1.713 177.523 175.900 -0.150 0.000 1.146 402 Y CA 1.839 59.872 58.100 -0.111 0.000 1.164 402 Y CB -0.083 38.321 38.460 -0.093 0.000 0.982 402 Y HN -0.094 nan 8.280 nan 0.000 0.515 403 K N 0.229 120.294 120.400 -0.559 0.000 2.147 403 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 403 K C 2.127 178.511 176.600 -0.361 0.000 1.049 403 K CA 1.493 57.427 56.287 -0.588 0.000 0.936 403 K CB -0.072 32.140 32.500 -0.479 0.000 0.722 403 K HN 0.359 nan 8.250 nan 0.000 0.446 404 K N 0.918 121.173 120.400 -0.242 0.000 2.001 404 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 404 K C 2.067 178.578 176.600 -0.150 0.000 1.048 404 K CA 1.330 57.524 56.287 -0.155 0.000 0.932 404 K CB -0.034 32.405 32.500 -0.101 0.000 0.715 404 K HN 0.054 nan 8.250 nan 0.000 0.437 405 K N 0.840 121.152 120.400 -0.146 0.000 2.032 405 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 405 K C 2.178 178.695 176.600 -0.138 0.000 1.048 405 K CA 1.240 57.464 56.287 -0.106 0.000 0.927 405 K CB -0.322 32.147 32.500 -0.053 0.000 0.712 405 K HN 0.025 nan 8.250 nan 0.000 0.441 406 L N 1.167 122.234 121.223 -0.259 0.000 2.042 406 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 406 L C 2.199 178.972 176.870 -0.160 0.000 1.076 406 L CA 2.008 56.699 54.840 -0.249 0.000 0.749 406 L CB -0.685 41.088 42.059 -0.478 0.000 0.893 406 L HN 0.148 nan 8.230 nan 0.000 0.432 407 A N -1.063 121.655 122.820 -0.169 0.000 1.933 407 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 407 A C 2.325 179.863 177.584 -0.077 0.000 1.175 407 A CA 1.793 53.763 52.037 -0.111 0.000 0.628 407 A CB -0.663 18.272 19.000 -0.109 0.000 0.814 407 A HN 0.646 nan 8.150 nan 0.000 0.444 408 E N -0.035 120.119 120.200 -0.076 0.000 2.028 408 E HA -0.220 4.130 4.350 -0.000 0.000 0.190 408 E C 2.265 178.841 176.600 -0.040 0.000 0.984 408 E CA 1.223 57.592 56.400 -0.052 0.000 0.800 408 E CB -0.132 29.540 29.700 -0.048 0.000 0.758 408 E HN 0.743 nan 8.360 nan 0.000 0.448 409 R N -0.026 120.450 120.500 -0.041 0.000 2.189 409 R HA -0.092 4.248 4.340 -0.000 0.000 0.223 409 R C 1.980 178.266 176.300 -0.023 0.000 1.092 409 R CA 0.876 56.961 56.100 -0.025 0.000 0.989 409 R CB -0.255 30.036 30.300 -0.015 0.000 0.876 409 R HN 0.139 nan 8.270 nan 0.000 0.457 410 L N 1.829 123.032 121.223 -0.033 0.000 2.270 410 L HA 0.010 4.350 4.340 -0.000 0.000 0.210 410 L C 2.224 179.079 176.870 -0.025 0.000 1.104 410 L CA 1.612 56.436 54.840 -0.028 0.000 0.804 410 L CB -0.213 41.825 42.059 -0.035 0.000 0.937 410 L HN 0.330 nan 8.230 nan 0.000 0.450 411 K N -1.151 119.232 120.400 -0.028 0.000 2.366 411 K HA 0.080 4.400 4.320 -0.000 0.000 0.198 411 K C 1.623 178.212 176.600 -0.018 0.000 1.044 411 K CA 1.123 57.395 56.287 -0.024 0.000 0.973 411 K CB -0.145 32.339 32.500 -0.027 0.000 0.767 411 K HN 0.113 nan 8.250 nan 0.000 0.475 412 A N 1.296 124.105 122.820 -0.018 0.000 2.147 412 A HA 0.069 4.389 4.320 -0.000 0.000 0.211 412 A C 1.895 179.473 177.584 -0.011 0.000 1.160 412 A CA 0.409 52.438 52.037 -0.013 0.000 0.781 412 A CB -0.086 18.907 19.000 -0.013 0.000 0.842 412 A HN 0.317 nan 8.150 nan 0.000 0.475 413 K N -0.598 119.795 120.400 -0.011 0.000 2.354 413 K HA 0.309 4.629 4.320 -0.000 0.000 0.194 413 K C -0.402 176.192 176.600 -0.009 0.000 1.045 413 K CA 0.290 56.572 56.287 -0.009 0.000 1.026 413 K CB 0.156 32.651 32.500 -0.008 0.000 0.866 413 K HN 0.403 nan 8.250 nan 0.000 0.530 414 L N 2.210 123.426 121.223 -0.011 0.000 2.551 414 L HA 0.303 4.643 4.340 -0.000 0.000 0.248 414 L C -1.991 174.873 176.870 -0.011 0.000 1.509 414 L CA -1.182 53.652 54.840 -0.010 0.000 0.842 414 L CB 1.433 43.486 42.059 -0.011 0.000 1.087 414 L HN -0.062 nan 8.230 nan 0.000 0.512 415 P HA -0.156 nan 4.420 nan 0.000 0.218 415 P C 0.343 177.637 177.300 -0.009 0.000 1.148 415 P CA 1.210 64.304 63.100 -0.010 0.000 0.822 415 P CB 0.423 32.118 31.700 -0.008 0.000 0.784 416 D N -0.150 120.245 120.400 -0.008 0.000 2.336 416 D HA 0.168 4.808 4.640 -0.000 0.000 0.229 416 D C 0.876 177.171 176.300 -0.007 0.000 1.061 416 D CA 0.186 54.182 54.000 -0.007 0.000 0.875 416 D CB -0.298 40.498 40.800 -0.006 0.000 0.904 416 D HN 0.191 nan 8.370 nan 0.000 0.525 417 A N 0.730 123.545 122.820 -0.009 0.000 2.354 417 A HA 0.463 4.783 4.320 -0.000 0.000 0.269 417 A C 0.843 178.421 177.584 -0.009 0.000 1.109 417 A CA -0.535 51.497 52.037 -0.009 0.000 0.800 417 A CB 0.304 19.298 19.000 -0.010 0.000 1.045 417 A HN 0.155 nan 8.150 nan 0.000 0.489 418 T N 0.410 114.959 114.554 -0.008 0.000 2.899 418 T HA 0.371 4.721 4.350 -0.000 0.000 0.295 418 T C -1.907 172.788 174.700 -0.009 0.000 1.033 418 T CA -1.273 60.822 62.100 -0.008 0.000 1.084 418 T CB 0.739 69.603 68.868 -0.006 0.000 0.979 418 T HN 0.319 nan 8.240 nan 0.000 0.532 419 P HA -0.093 nan 4.420 nan 0.000 0.217 419 P C 1.498 178.792 177.300 -0.010 0.000 1.148 419 P CA 1.159 64.253 63.100 -0.011 0.000 0.828 419 P CB -0.111 31.583 31.700 -0.010 0.000 0.783 420 T N -1.045 113.505 114.554 -0.007 0.000 2.809 420 T HA -0.091 4.259 4.350 -0.000 0.000 0.260 420 T C 1.622 176.320 174.700 -0.004 0.000 1.039 420 T CA 1.116 63.213 62.100 -0.004 0.000 1.141 420 T CB -0.597 68.270 68.868 -0.002 0.000 0.869 420 T HN 0.279 nan 8.240 nan 0.000 0.437 421 E N 0.658 120.855 120.200 -0.005 0.000 2.058 421 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 421 E C 2.113 178.709 176.600 -0.006 0.000 0.997 421 E CA 0.829 57.226 56.400 -0.004 0.000 0.801 421 E CB -0.245 29.451 29.700 -0.006 0.000 0.746 421 E HN 0.150 nan 8.360 nan 0.000 0.450 422 L N 0.794 122.011 121.223 -0.010 0.000 2.046 422 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 422 L C 2.167 179.027 176.870 -0.016 0.000 1.077 422 L CA 1.969 56.800 54.840 -0.015 0.000 0.747 422 L CB -0.618 41.430 42.059 -0.019 0.000 0.896 422 L HN 0.058 nan 8.230 nan 0.000 0.432 423 A N -1.212 121.600 122.820 -0.013 0.000 1.930 423 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 423 A C 2.242 179.825 177.584 -0.002 0.000 1.175 423 A CA 1.599 53.629 52.037 -0.012 0.000 0.627 423 A CB -0.428 18.567 19.000 -0.009 0.000 0.815 423 A HN 0.331 nan 8.150 nan 0.000 0.443 424 K N -0.550 119.852 120.400 0.003 0.000 2.147 424 K HA 0.005 4.325 4.320 -0.000 0.000 0.205 424 K C 1.602 178.212 176.600 0.017 0.000 1.049 424 K CA 0.860 57.154 56.287 0.012 0.000 0.936 424 K CB -0.460 32.046 32.500 0.009 0.000 0.722 424 K HN 0.365 nan 8.250 nan 0.000 0.446 425 L N -0.419 120.808 121.223 0.008 0.000 2.072 425 L HA -0.102 4.238 4.340 -0.000 0.000 0.205 425 L C 2.014 178.894 176.870 0.017 0.000 1.079 425 L CA 1.086 55.932 54.840 0.010 0.000 0.752 425 L CB -0.540 41.518 42.059 -0.002 0.000 0.906 425 L HN -0.090 nan 8.230 nan 0.000 0.436 426 V N 0.136 120.049 119.914 -0.003 0.000 2.287 426 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 426 V C 2.326 178.436 176.094 0.026 0.000 1.053 426 V CA 1.851 64.138 62.300 -0.022 0.000 1.027 426 V CB -0.738 31.047 31.823 -0.062 0.000 0.646 426 V HN 0.500 nan 8.190 nan 0.000 0.447 427 N N 0.377 119.104 118.700 0.044 0.000 2.058 427 N HA -0.208 4.532 4.740 -0.000 0.000 0.191 427 N C 1.868 177.463 175.510 0.141 0.000 1.037 427 N CA 1.788 54.894 53.050 0.094 0.000 0.848 427 N CB -0.455 38.077 38.487 0.076 0.000 1.021 427 N HN 0.508 nan 8.380 nan 0.000 0.422 428 K N 0.819 121.286 120.400 0.112 0.000 2.044 428 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 428 K C 2.159 178.877 176.600 0.197 0.000 1.049 428 K CA 1.357 57.722 56.287 0.130 0.000 0.927 428 K CB 0.043 32.587 32.500 0.074 0.000 0.713 428 K HN -0.054 nan 8.250 nan 0.000 0.443 429 R N 0.324 120.932 120.500 0.180 0.000 2.090 429 R HA 0.037 4.377 4.340 -0.000 0.000 0.228 429 R C 1.984 178.526 176.300 0.403 0.000 1.110 429 R CA 1.916 58.173 56.100 0.263 0.000 0.973 429 R CB -0.442 29.963 30.300 0.175 0.000 0.869 429 R HN 0.080 nan 8.270 nan 0.000 0.440 430 S N 0.482 116.396 115.700 0.356 0.000 2.355 430 S HA -0.144 4.326 4.470 -0.000 0.000 0.222 430 S C 1.425 176.368 174.600 0.571 0.000 1.031 430 S CA 1.536 60.063 58.200 0.546 0.000 0.993 430 S CB -0.518 62.889 63.200 0.345 0.000 0.859 430 S HN 0.549 nan 8.310 nan 0.000 0.453 431 D N 0.637 121.280 120.400 0.405 0.000 2.104 431 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 431 D C 1.734 178.195 176.300 0.269 0.000 0.994 431 D CA 1.127 55.309 54.000 0.303 0.000 0.830 431 D CB -0.282 40.658 40.800 0.235 0.000 0.959 431 D HN 0.314 nan 8.370 nan 0.000 0.452 432 F N 0.973 121.031 119.950 0.179 0.000 2.095 432 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 432 F C 2.086 177.942 175.800 0.094 0.000 1.104 432 F CA 1.950 60.042 58.000 0.153 0.000 1.232 432 F CB -0.709 38.369 39.000 0.130 0.000 0.987 432 F HN 0.036 nan 8.300 nan 0.000 0.475 433 A N -0.041 122.738 122.820 -0.068 0.000 1.930 433 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 433 A C 2.341 179.495 177.584 -0.717 0.000 1.175 433 A CA 1.909 53.687 52.037 -0.433 0.000 0.627 433 A CB -1.449 17.472 19.000 -0.132 0.000 0.815 433 A HN 0.547 nan 8.150 nan 0.000 0.443 434 S N -0.143 115.419 115.700 -0.231 0.000 2.469 434 S HA -0.112 4.358 4.470 -0.000 0.000 0.238 434 S C 1.491 175.961 174.600 -0.218 0.000 0.998 434 S CA 1.309 59.401 58.200 -0.181 0.000 0.957 434 S CB -0.395 62.717 63.200 -0.146 0.000 0.764 434 S HN 0.593 nan 8.310 nan 0.000 0.514 435 N N 0.129 118.695 118.700 -0.222 0.000 2.482 435 N HA 0.182 4.922 4.740 -0.000 0.000 0.179 435 N C 0.619 176.012 175.510 -0.195 0.000 1.039 435 N CA 0.904 53.874 53.050 -0.132 0.000 0.884 435 N CB 0.141 38.652 38.487 0.039 0.000 1.113 435 N HN 0.441 nan 8.380 nan 0.000 0.440 436 c N -0.158 118.194 118.600 -0.414 0.000 3.243 436 c HA 0.375 4.945 4.570 -0.000 0.000 0.286 436 c C 1.224 175.163 174.090 -0.252 0.000 1.373 436 c CA -0.691 55.429 56.329 -0.348 0.000 1.749 436 c CB -0.996 41.206 42.510 -0.513 0.000 2.313 436 c HN 0.403 nan 8.230 nan 0.000 0.644 437 c N 1.656 119.990 118.600 -0.443 0.000 2.647 437 c HA 0.346 4.916 4.570 -0.000 0.000 0.296 437 c C 0.852 174.792 174.090 -0.251 0.000 1.403 437 c CA 0.091 56.187 56.329 -0.389 0.000 1.781 437 c CB -2.089 40.025 42.510 -0.661 0.000 2.464 437 c HN 0.608 nan 8.230 nan 0.000 0.559 438 S N -0.125 115.486 115.700 -0.148 0.000 2.599 438 S HA 0.424 4.894 4.470 -0.000 0.000 0.294 438 S C 0.765 175.350 174.600 -0.024 0.000 1.094 438 S CA -0.574 57.598 58.200 -0.047 0.000 0.931 438 S CB 1.535 64.718 63.200 -0.029 0.000 1.093 438 S HN 0.371 nan 8.310 nan 0.000 0.488 439 I N 1.352 121.912 120.570 -0.017 0.000 2.423 439 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 439 I C 0.346 176.446 176.117 -0.029 0.000 1.151 439 I CA 1.303 62.593 61.300 -0.017 0.000 1.421 439 I CB 0.095 38.075 38.000 -0.035 0.000 1.079 439 I HN 0.442 nan 8.210 nan 0.000 0.431 440 N N 0.711 119.379 118.700 -0.052 0.000 2.328 440 N HA 0.164 4.904 4.740 -0.000 0.000 0.247 440 N C -0.345 175.152 175.510 -0.021 0.000 1.165 440 N CA -0.025 52.999 53.050 -0.042 0.000 0.873 440 N CB 0.535 38.959 38.487 -0.105 0.000 1.125 440 N HN 0.082 nan 8.380 nan 0.000 0.513 441 S N 2.625 118.309 115.700 -0.027 0.000 2.560 441 S HA 0.115 4.585 4.470 -0.000 0.000 0.284 441 S C -2.140 172.431 174.600 -0.049 0.000 1.327 441 S CA -0.542 57.627 58.200 -0.051 0.000 1.055 441 S CB 0.450 63.623 63.200 -0.046 0.000 0.868 441 S HN 0.246 nan 8.310 nan 0.000 0.506 442 P HA 0.153 nan 4.420 nan 0.000 0.265 442 P C -2.328 174.939 177.300 -0.055 0.000 1.222 442 P CA -1.364 61.659 63.100 -0.128 0.000 0.767 442 P CB 0.488 32.014 31.700 -0.289 0.000 0.801 443 P HA -0.199 nan 4.420 nan 0.000 0.211 443 P C 1.818 179.033 177.300 -0.141 0.000 1.181 443 P CA 1.466 64.411 63.100 -0.258 0.000 0.929 443 P CB -0.123 31.148 31.700 -0.714 0.000 0.789 444 L N -2.643 118.505 121.223 -0.125 0.000 1.956 444 L HA -0.257 4.083 4.340 -0.000 0.000 0.216 444 L C 2.666 179.562 176.870 0.044 0.000 1.073 444 L CA 1.961 56.776 54.840 -0.041 0.000 0.762 444 L CB -1.374 40.671 42.059 -0.023 0.000 0.889 444 L HN -0.032 nan 8.230 nan 0.000 0.433 445 Y N 0.306 120.620 120.300 0.022 0.000 2.114 445 Y HA -0.346 4.204 4.550 -0.000 0.000 0.282 445 Y C 2.669 178.607 175.900 0.064 0.000 1.165 445 Y CA 1.880 60.038 58.100 0.097 0.000 1.148 445 Y CB -0.522 38.105 38.460 0.278 0.000 0.972 445 Y HN 0.209 nan 8.280 nan 0.000 0.504 446 c N 0.041 118.699 118.600 0.096 0.000 2.448 446 c HA -0.074 4.496 4.570 -0.000 0.000 0.280 446 c C 2.400 176.439 174.090 -0.085 0.000 1.398 446 c CA 0.958 57.281 56.329 -0.009 0.000 1.774 446 c CB -1.350 41.166 42.510 0.011 0.000 1.888 446 c HN 0.719 nan 8.230 nan 0.000 0.519 447 D N 1.702 122.060 120.400 -0.070 0.000 2.084 447 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 447 D C 2.191 178.447 176.300 -0.074 0.000 0.990 447 D CA 1.999 55.962 54.000 -0.061 0.000 0.826 447 D CB 0.065 40.847 40.800 -0.030 0.000 0.971 447 D HN 0.513 nan 8.370 nan 0.000 0.453 448 S N -1.014 114.627 115.700 -0.099 0.000 2.453 448 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 448 S C 1.858 176.377 174.600 -0.135 0.000 1.005 448 S CA 0.598 58.735 58.200 -0.105 0.000 0.949 448 S CB -0.046 63.088 63.200 -0.110 0.000 0.774 448 S HN 0.167 nan 8.310 nan 0.000 0.510 449 E N 1.583 121.675 120.200 -0.179 0.000 2.170 449 E HA 0.239 4.589 4.350 -0.000 0.000 0.191 449 E C 1.677 178.260 176.600 -0.028 0.000 0.981 449 E CA 0.605 56.922 56.400 -0.138 0.000 0.830 449 E CB -0.387 29.185 29.700 -0.214 0.000 0.775 449 E HN 0.617 nan 8.360 nan 0.000 0.470 450 I N 0.818 121.381 120.570 -0.011 0.000 2.546 450 I HA -0.194 3.976 4.170 -0.000 0.000 0.255 450 I C 1.391 177.469 176.117 -0.066 0.000 1.163 450 I CA 0.848 62.116 61.300 -0.054 0.000 1.457 450 I CB -0.089 37.739 38.000 -0.286 0.000 1.092 450 I HN 0.088 nan 8.210 nan 0.000 0.434 451 D N 1.174 121.544 120.400 -0.049 0.000 2.103 451 D HA -0.067 4.573 4.640 -0.000 0.000 0.199 451 D C 2.257 178.524 176.300 -0.055 0.000 0.978 451 D CA 1.456 55.443 54.000 -0.022 0.000 0.829 451 D CB -0.034 40.757 40.800 -0.016 0.000 0.981 451 D HN 0.267 nan 8.370 nan 0.000 0.464 452 A N 0.778 123.547 122.820 -0.084 0.000 2.125 452 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 452 A C 1.915 179.418 177.584 -0.135 0.000 1.156 452 A CA 1.193 53.174 52.037 -0.094 0.000 0.671 452 A CB -0.094 18.849 19.000 -0.095 0.000 0.794 452 A HN 0.054 nan 8.150 nan 0.000 0.459 453 E N -1.338 118.740 120.200 -0.203 0.000 2.389 453 E HA 0.080 4.430 4.350 -0.000 0.000 0.199 453 E C 1.496 177.976 176.600 -0.201 0.000 0.978 453 E CA 0.094 56.310 56.400 -0.307 0.000 0.912 453 E CB 0.113 29.380 29.700 -0.723 0.000 0.907 453 E HN 0.480 nan 8.360 nan 0.000 0.494 454 L N 1.576 122.729 121.223 -0.116 0.000 2.179 454 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 454 L C 1.873 178.723 176.870 -0.033 0.000 1.096 454 L CA 1.467 56.276 54.840 -0.052 0.000 0.779 454 L CB -0.117 41.947 42.059 0.010 0.000 0.922 454 L HN -0.049 nan 8.230 nan 0.000 0.443 455 K N -1.738 118.642 120.400 -0.034 0.000 2.555 455 K HA -0.000 4.320 4.320 -0.000 0.000 0.193 455 K C 0.557 177.138 176.600 -0.032 0.000 1.032 455 K CA 0.647 56.921 56.287 -0.021 0.000 1.004 455 K CB -0.694 31.794 32.500 -0.019 0.000 0.804 455 K HN 0.089 nan 8.250 nan 0.000 0.496 456 N N 1.202 119.871 118.700 -0.051 0.000 2.994 456 N HA 0.206 4.946 4.740 -0.000 0.000 0.306 456 N C -0.851 174.636 175.510 -0.039 0.000 1.348 456 N CA -0.024 52.996 53.050 -0.049 0.000 1.109 456 N CB 0.090 38.535 38.487 -0.071 0.000 1.415 456 N HN 0.432 nan 8.380 nan 0.000 0.529 457 I N 0.000 120.555 120.570 -0.026 0.000 2.984 457 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 457 I CA 0.000 61.289 61.300 -0.018 0.000 1.566 457 I CB 0.000 37.990 38.000 -0.016 0.000 1.214 457 I HN 0.000 nan 8.210 nan 0.000 0.494