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 1j78_1_A DATA FIRST_RESID 13 DATA SEQUENCE cKEFSHLGKE DFTSLSLVLY SRKFPSGTFE QVSQLVKEVV SLTEACcXXX DATA SEQUENCE XXXXXYDTRT SALSAKScES NSPFPVHPGT AEccTKXXXX RKLcMAALKH DATA SEQUENCE QPQEFPTYVE PTNDEIcEAF RKDPKEYANQ FMWEYSTNYG QAPLSLLVSY DATA SEQUENCE TKSYLSMVGS ccTSASPTVc FLKERLQLKH LSLLTTLSNR VcSQYAAYGE DATA SEQUENCE KKSRLSNLIK LAQKVPTADL EDVLPLAEDI TNILSKccES ASEDcMAKEL DATA SEQUENCE PEHTVKLcDN LSTKNSKFED ccQEKTAMDV FVcTYFMPAA QLPELPDVEL DATA SEQUENCE PTNKDVcDPG NTKVMDKYTF ELSRRTHLPE VFLSKVLEPT LKSLGEccDV DATA SEQUENCE EDSTTcFNAK GPLLKKELSS FIDKGQELcA DYSENTFTEY KKKLAERLKA DATA SEQUENCE KLPDATPTEL AKLVNKRSDF ASNccSINSP PLYcDSEIDA ELKNI 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 13 c HA 0.000 nan 4.570 nan 0.000 0.325 13 c C 0.000 174.130 174.090 0.066 0.000 1.270 13 c CA 0.000 56.320 56.329 -0.015 0.000 1.963 13 c CB 0.000 42.463 42.510 -0.079 0.000 2.134 14 K N 1.269 121.709 120.400 0.066 0.000 2.097 14 K HA 0.005 4.325 4.320 -0.000 0.000 0.206 14 K C 1.703 178.386 176.600 0.139 0.000 1.049 14 K CA 2.768 59.101 56.287 0.077 0.000 0.933 14 K CB -1.218 31.320 32.500 0.063 0.000 0.717 14 K HN 0.793 nan 8.250 nan 0.000 0.442 15 E N -0.086 120.233 120.200 0.198 0.000 2.107 15 E HA 0.002 4.352 4.350 -0.000 0.000 0.191 15 E C 1.835 178.610 176.600 0.291 0.000 0.982 15 E CA 1.153 57.719 56.400 0.278 0.000 0.809 15 E CB -0.752 nan 29.700 nan 0.000 0.756 15 E HN 0.685 nan 8.360 nan 0.000 0.459 16 F N 1.911 121.849 119.950 -0.019 0.000 2.154 16 F HA -0.177 4.350 4.527 0.000 0.000 0.301 16 F C 2.488 178.211 175.800 -0.129 0.000 1.087 16 F CA 2.156 59.919 58.000 -0.396 0.000 1.274 16 F CB -0.185 38.383 39.000 -0.720 0.000 1.009 16 F HN 0.181 nan 8.300 nan 0.000 0.485 17 S N -1.540 114.110 115.700 -0.084 0.000 2.362 17 S HA -0.172 4.298 4.470 -0.000 0.000 0.221 17 S C 1.937 176.518 174.600 -0.032 0.000 1.032 17 S CA 1.071 59.197 58.200 -0.123 0.000 0.973 17 S CB -0.713 62.482 63.200 -0.008 0.000 0.849 17 S HN 0.604 nan 8.310 nan 0.000 0.465 18 H N 0.360 119.402 119.070 -0.047 0.000 2.457 18 H HA 0.153 4.709 4.556 0.000 0.000 0.294 18 H C 1.657 176.974 175.328 -0.019 0.000 1.064 18 H CA 0.722 56.758 56.048 -0.020 0.000 1.330 18 H CB 0.085 29.856 29.762 0.015 0.000 1.395 18 H HN 0.236 nan 8.280 nan 0.000 0.541 19 L N -0.976 120.297 121.223 0.084 0.000 2.298 19 L HA 0.218 4.558 4.340 -0.000 0.000 0.209 19 L C 1.212 178.070 176.870 -0.020 0.000 1.084 19 L CA 0.391 55.257 54.840 0.043 0.000 0.816 19 L CB 0.361 42.515 42.059 0.159 0.000 0.967 19 L HN 0.469 nan 8.230 nan 0.000 0.460 20 G N -0.521 108.182 108.800 -0.161 0.000 2.526 20 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.250 20 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.250 20 G C 0.204 174.892 174.900 -0.353 0.000 1.289 20 G CA -0.005 44.943 45.100 -0.252 0.000 0.947 20 G HN 0.099 nan 8.290 nan 0.000 0.517 21 K N -0.627 119.643 120.400 -0.217 0.000 2.054 21 K HA 0.387 4.707 4.320 -0.000 0.000 0.207 21 K C 2.236 178.923 176.600 0.144 0.000 1.031 21 K CA 1.948 58.212 56.287 -0.039 0.000 0.952 21 K CB -1.087 31.433 32.500 0.034 0.000 0.775 21 K HN 0.908 nan 8.250 nan 0.000 0.447 22 E N 0.804 121.063 120.200 0.100 0.000 2.085 22 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 22 E C 1.548 178.227 176.600 0.131 0.000 0.994 22 E CA 1.630 58.101 56.400 0.119 0.000 0.801 22 E CB -0.033 29.718 29.700 0.085 0.000 0.743 22 E HN 0.575 nan 8.360 nan 0.000 0.453 23 D N -0.173 120.293 120.400 0.110 0.000 2.149 23 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 23 D C 1.734 178.120 176.300 0.143 0.000 0.972 23 D CA 0.694 54.756 54.000 0.103 0.000 0.835 23 D CB -0.366 40.474 40.800 0.067 0.000 0.966 23 D HN 0.240 nan 8.370 nan 0.000 0.476 24 F N 1.976 121.956 119.950 0.049 0.000 2.216 24 F HA -0.161 4.366 4.527 0.000 0.000 0.300 24 F C 2.174 178.065 175.800 0.152 0.000 1.085 24 F CA 1.196 59.261 58.000 0.108 0.000 1.326 24 F CB -0.207 38.885 39.000 0.153 0.000 1.027 24 F HN -0.188 nan 8.300 nan 0.000 0.497 25 T N -0.733 113.991 114.554 0.283 0.000 2.904 25 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 25 T C 2.171 176.923 174.700 0.087 0.000 1.059 25 T CA 1.414 63.630 62.100 0.192 0.000 1.137 25 T CB -0.277 68.729 68.868 0.231 0.000 0.879 25 T HN 0.237 nan 8.240 nan 0.000 0.467 26 S N 1.475 117.227 115.700 0.086 0.000 2.355 26 S HA -0.015 4.455 4.470 -0.000 0.000 0.222 26 S C 1.927 176.549 174.600 0.037 0.000 1.031 26 S CA 0.615 58.864 58.200 0.080 0.000 0.993 26 S CB -0.492 62.759 63.200 0.085 0.000 0.859 26 S HN 0.243 nan 8.310 nan 0.000 0.453 27 L N 1.967 123.176 121.223 -0.024 0.000 2.042 27 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 27 L C 2.201 179.022 176.870 -0.081 0.000 1.076 27 L CA 1.734 56.533 54.840 -0.069 0.000 0.749 27 L CB -0.978 41.002 42.059 -0.131 0.000 0.893 27 L HN 0.162 nan 8.230 nan 0.000 0.432 28 S N -0.651 114.970 115.700 -0.132 0.000 2.368 28 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 28 S C 1.811 176.528 174.600 0.196 0.000 1.030 28 S CA 1.376 59.583 58.200 0.011 0.000 0.999 28 S CB -0.576 62.608 63.200 -0.025 0.000 0.844 28 S HN 0.438 nan 8.310 nan 0.000 0.459 29 L N 2.067 123.379 121.223 0.149 0.000 2.042 29 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 29 L C 2.181 179.169 176.870 0.197 0.000 1.076 29 L CA 1.625 56.588 54.840 0.204 0.000 0.749 29 L CB -0.750 41.426 42.059 0.195 0.000 0.893 29 L HN 0.138 nan 8.230 nan 0.000 0.432 30 V N -0.771 119.211 119.914 0.114 0.000 2.295 30 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 30 V C 2.480 178.594 176.094 0.034 0.000 1.049 30 V CA 1.635 63.973 62.300 0.063 0.000 1.024 30 V CB -0.700 31.139 31.823 0.027 0.000 0.648 30 V HN 0.473 nan 8.190 nan 0.000 0.447 31 L N -0.599 120.626 121.223 0.004 0.000 2.012 31 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 31 L C 2.250 179.027 176.870 -0.155 0.000 1.073 31 L CA 2.201 56.975 54.840 -0.110 0.000 0.748 31 L CB -0.712 41.237 42.059 -0.183 0.000 0.891 31 L HN 0.371 nan 8.230 nan 0.000 0.431 32 Y N -1.464 118.880 120.300 0.073 0.000 2.516 32 Y HA -0.032 4.518 4.550 -0.000 0.000 0.291 32 Y C 2.616 178.653 175.900 0.228 0.000 1.131 32 Y CA 1.043 59.247 58.100 0.172 0.000 1.281 32 Y CB -0.269 38.299 38.460 0.181 0.000 1.013 32 Y HN 0.154 nan 8.280 nan 0.000 0.554 33 S N -0.324 115.536 115.700 0.267 0.000 2.406 33 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 33 S C 1.967 176.594 174.600 0.044 0.000 1.020 33 S CA 0.836 59.161 58.200 0.208 0.000 0.965 33 S CB -0.085 63.193 63.200 0.130 0.000 0.798 33 S HN 0.441 nan 8.310 nan 0.000 0.488 34 R N 1.351 121.829 120.500 -0.036 0.000 2.092 34 R HA 0.043 4.383 4.340 -0.000 0.000 0.231 34 R C 2.243 178.355 176.300 -0.314 0.000 1.119 34 R CA 1.010 57.023 56.100 -0.145 0.000 0.970 34 R CB -0.165 30.051 30.300 -0.141 0.000 0.864 34 R HN 0.310 nan 8.270 nan 0.000 0.440 35 K N -0.026 120.194 120.400 -0.299 0.000 2.097 35 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 35 K C 0.076 176.366 176.600 -0.516 0.000 1.050 35 K CA 0.956 56.921 56.287 -0.537 0.000 0.938 35 K CB 0.118 32.378 32.500 -0.400 0.000 0.718 35 K HN 0.053 nan 8.250 nan 0.000 0.442 36 F N 0.679 120.608 119.950 -0.035 0.000 2.334 36 F HA 0.258 4.785 4.527 -0.000 0.000 0.343 36 F C -2.008 173.811 175.800 0.032 0.000 1.136 36 F CA -2.492 55.511 58.000 0.005 0.000 1.237 36 F CB 1.287 40.284 39.000 -0.005 0.000 1.525 36 F HN -0.118 nan 8.300 nan 0.000 0.528 37 P HA -0.123 nan 4.420 nan 0.000 0.218 37 P C 1.260 178.607 177.300 0.078 0.000 1.148 37 P CA 1.311 64.434 63.100 0.038 0.000 0.822 37 P CB 0.307 32.030 31.700 0.039 0.000 0.784 38 S N -1.401 114.396 115.700 0.161 0.000 2.548 38 S HA 0.181 4.651 4.470 -0.000 0.000 0.215 38 S C 1.281 176.021 174.600 0.233 0.000 0.976 38 S CA 0.054 58.357 58.200 0.171 0.000 0.908 38 S CB -0.517 62.780 63.200 0.162 0.000 0.781 38 S HN 0.196 nan 8.310 nan 0.000 0.519 39 G N 2.439 111.421 108.800 0.303 0.000 2.544 39 G HA2 0.350 4.310 3.960 -0.000 0.000 0.242 39 G HA3 0.350 4.310 3.960 -0.000 0.000 0.242 39 G C 0.248 175.422 174.900 0.456 0.000 1.247 39 G CA -0.215 45.070 45.100 0.308 0.000 0.840 39 G HN 0.337 nan 8.290 nan 0.000 0.578 40 T N -0.874 113.836 114.554 0.259 0.000 2.874 40 T HA 0.288 4.638 4.350 -0.000 0.000 0.281 40 T C 1.183 175.752 174.700 -0.217 0.000 0.994 40 T CA -0.577 61.618 62.100 0.158 0.000 1.015 40 T CB 1.036 69.912 68.868 0.014 0.000 1.028 40 T HN 0.304 nan 8.240 nan 0.000 0.523 41 F N 1.365 120.637 119.950 -1.130 0.000 2.095 41 F HA -0.043 4.484 4.527 0.001 0.000 0.298 41 F C 2.293 177.703 175.800 -0.650 0.000 1.104 41 F CA 2.093 59.163 58.000 -1.550 0.000 1.232 41 F CB -0.871 37.295 39.000 -1.390 0.000 0.987 41 F HN 0.832 nan 8.300 nan 0.000 0.475 42 E N 0.371 120.278 120.200 -0.488 0.000 2.038 42 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 42 E C 2.196 178.608 176.600 -0.314 0.000 1.000 42 E CA 2.121 58.267 56.400 -0.424 0.000 0.803 42 E CB -0.550 28.992 29.700 -0.263 0.000 0.750 42 E HN 0.627 nan 8.360 nan 0.000 0.448 43 Q N -0.367 119.301 119.800 -0.219 0.000 2.002 43 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 43 Q C 2.369 178.286 176.000 -0.139 0.000 0.988 43 Q CA 2.030 57.737 55.803 -0.159 0.000 0.843 43 Q CB -0.270 28.399 28.738 -0.115 0.000 0.908 43 Q HN 0.230 nan 8.270 nan 0.000 0.420 44 V N 0.696 120.543 119.914 -0.111 0.000 2.332 44 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 44 V C 2.232 178.285 176.094 -0.069 0.000 1.055 44 V CA 1.976 64.257 62.300 -0.033 0.000 1.038 44 V CB -0.655 31.302 31.823 0.224 0.000 0.651 44 V HN 0.289 nan 8.190 nan 0.000 0.450 45 S N -0.667 114.925 115.700 -0.180 0.000 2.382 45 S HA -0.283 4.187 4.470 -0.000 0.000 0.228 45 S C 2.020 176.534 174.600 -0.143 0.000 1.027 45 S CA 1.790 59.864 58.200 -0.210 0.000 0.991 45 S CB -0.319 62.589 63.200 -0.487 0.000 0.823 45 S HN 0.611 nan 8.310 nan 0.000 0.469 46 Q N 1.108 120.823 119.800 -0.140 0.000 2.046 46 Q HA -0.020 4.320 4.340 -0.000 0.000 0.200 46 Q C 2.060 178.121 176.000 0.101 0.000 0.975 46 Q CA 1.143 56.909 55.803 -0.063 0.000 0.836 46 Q CB -0.573 28.083 28.738 -0.137 0.000 0.896 46 Q HN 0.451 nan 8.270 nan 0.000 0.428 47 L N -0.601 120.689 121.223 0.112 0.000 2.046 47 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 47 L C 2.004 178.724 176.870 -0.250 0.000 1.077 47 L CA 1.623 56.431 54.840 -0.055 0.000 0.747 47 L CB -0.722 41.152 42.059 -0.308 0.000 0.896 47 L HN 0.148 nan 8.230 nan 0.000 0.432 48 V N -0.021 119.765 119.914 -0.213 0.000 2.427 48 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 48 V C 2.642 178.708 176.094 -0.047 0.000 1.051 48 V CA 1.823 64.023 62.300 -0.168 0.000 1.048 48 V CB -0.840 30.962 31.823 -0.036 0.000 0.666 48 V HN 0.537 nan 8.190 nan 0.000 0.456 49 K N 1.260 121.648 120.400 -0.020 0.000 2.059 49 K HA -0.245 4.075 4.320 -0.000 0.000 0.212 49 K C 1.904 178.520 176.600 0.027 0.000 1.050 49 K CA 2.210 58.505 56.287 0.014 0.000 0.927 49 K CB -0.338 32.161 32.500 -0.001 0.000 0.714 49 K HN 0.590 nan 8.250 nan 0.000 0.447 50 E N -0.577 119.638 120.200 0.025 0.000 2.385 50 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 50 E C 1.763 178.346 176.600 -0.028 0.000 1.013 50 E CA 0.511 56.924 56.400 0.021 0.000 0.866 50 E CB 0.327 30.083 29.700 0.093 0.000 0.832 50 E HN 0.076 nan 8.360 nan 0.000 0.500 51 V N 0.837 120.707 119.914 -0.075 0.000 2.548 51 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 51 V C 2.144 178.292 176.094 0.090 0.000 1.055 51 V CA 1.063 63.337 62.300 -0.044 0.000 1.065 51 V CB -0.007 31.723 31.823 -0.154 0.000 0.681 51 V HN 0.127 nan 8.190 nan 0.000 0.462 52 V N -0.714 119.275 119.914 0.126 0.000 2.407 52 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 52 V C 2.602 178.688 176.094 -0.015 0.000 1.041 52 V CA 1.995 64.402 62.300 0.177 0.000 1.040 52 V CB -0.463 31.529 31.823 0.281 0.000 0.671 52 V HN 0.605 nan 8.190 nan 0.000 0.455 53 S N 0.094 115.798 115.700 0.006 0.000 2.402 53 S HA -0.228 4.242 4.470 -0.000 0.000 0.233 53 S C 1.913 176.478 174.600 -0.057 0.000 1.030 53 S CA 2.182 60.367 58.200 -0.024 0.000 1.003 53 S CB -0.341 62.861 63.200 0.003 0.000 0.813 53 S HN 0.452 nan 8.310 nan 0.000 0.477 54 L N 1.474 122.677 121.223 -0.034 0.000 1.973 54 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 54 L C 2.417 179.248 176.870 -0.066 0.000 1.073 54 L CA 2.696 57.532 54.840 -0.007 0.000 0.746 54 L CB -1.645 40.442 42.059 0.048 0.000 0.891 54 L HN 0.241 nan 8.230 nan 0.000 0.433 55 T N -0.273 114.201 114.554 -0.134 0.000 2.653 55 T HA -0.306 4.044 4.350 -0.000 0.000 0.268 55 T C 1.697 176.021 174.700 -0.625 0.000 1.035 55 T CA 1.950 63.838 62.100 -0.353 0.000 1.154 55 T CB -0.396 68.170 68.868 -0.504 0.000 0.862 55 T HN 0.561 nan 8.240 nan 0.000 0.441 56 E N 1.173 120.921 120.200 -0.754 0.000 2.021 56 E HA -0.128 4.222 4.350 -0.000 0.000 0.200 56 E C 1.772 178.191 176.600 -0.301 0.000 1.015 56 E CA 1.174 57.161 56.400 -0.688 0.000 0.824 56 E CB -0.234 29.237 29.700 -0.382 0.000 0.762 56 E HN 0.464 nan 8.360 nan 0.000 0.454 57 A N -0.474 122.242 122.820 -0.174 0.000 2.324 57 A HA 0.131 4.451 4.320 -0.000 0.000 0.240 57 A C 0.520 178.070 177.584 -0.057 0.000 1.347 57 A CA 0.110 52.097 52.037 -0.083 0.000 1.036 57 A CB -0.496 18.479 19.000 -0.043 0.000 0.917 57 A HN 0.396 nan 8.150 nan 0.000 0.519 58 C N -1.598 117.641 119.300 -0.102 0.000 3.823 58 C HA 0.316 4.776 4.460 -0.000 0.000 0.312 58 C C 0.244 175.142 174.990 -0.153 0.000 2.628 58 C CA -0.707 58.267 59.018 -0.074 0.000 1.581 58 C CB -1.537 26.216 27.740 0.022 0.000 3.295 58 C HN 0.669 nan 8.230 nan 0.000 0.382 69 D N 1.232 121.463 120.400 -0.282 0.000 2.379 69 D HA -0.030 4.610 4.640 -0.000 0.000 0.243 69 D C 1.013 177.203 176.300 -0.182 0.000 1.088 69 D CA 1.260 55.062 54.000 -0.330 0.000 0.925 69 D CB 0.255 40.945 40.800 -0.184 0.000 0.888 69 D HN 0.547 nan 8.370 nan 0.000 0.529 70 T N 0.010 114.495 114.554 -0.116 0.000 2.904 70 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 70 T C 2.300 176.959 174.700 -0.068 0.000 1.059 70 T CA 1.553 63.617 62.100 -0.060 0.000 1.137 70 T CB 0.209 69.066 68.868 -0.019 0.000 0.879 70 T HN 0.365 nan 8.240 nan 0.000 0.467 71 R N 0.849 121.291 120.500 -0.098 0.000 2.195 71 R HA 0.210 4.550 4.340 -0.000 0.000 0.197 71 R C 2.499 178.722 176.300 -0.128 0.000 0.990 71 R CA 1.116 57.169 56.100 -0.079 0.000 1.048 71 R CB -1.452 28.827 30.300 -0.036 0.000 0.997 71 R HN 0.364 nan 8.270 nan 0.000 0.502 72 T N 0.400 114.804 114.554 -0.250 0.000 2.759 72 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 72 T C 2.082 176.689 174.700 -0.155 0.000 1.042 72 T CA 2.019 63.960 62.100 -0.265 0.000 1.140 72 T CB -0.292 68.291 68.868 -0.475 0.000 0.864 72 T HN 0.512 nan 8.240 nan 0.000 0.455 73 S N 0.609 116.230 115.700 -0.131 0.000 2.395 73 S HA 0.106 4.575 4.470 -0.000 0.000 0.225 73 S C 2.399 176.973 174.600 -0.043 0.000 1.027 73 S CA 0.929 59.084 58.200 -0.074 0.000 0.965 73 S CB -0.435 62.728 63.200 -0.061 0.000 0.812 73 S HN 0.496 nan 8.310 nan 0.000 0.482 74 A N 1.374 124.170 122.820 -0.041 0.000 2.024 74 A HA 0.157 4.477 4.320 -0.000 0.000 0.220 74 A C 2.459 180.052 177.584 0.014 0.000 1.164 74 A CA 1.862 53.896 52.037 -0.006 0.000 0.643 74 A CB -1.282 17.716 19.000 -0.003 0.000 0.806 74 A HN 0.796 nan 8.150 nan 0.000 0.451 75 L N -1.297 119.902 121.223 -0.039 0.000 1.993 75 L HA 0.218 4.558 4.340 -0.000 0.000 0.206 75 L C 3.052 179.878 176.870 -0.075 0.000 1.074 75 L CA 2.726 57.503 54.840 -0.106 0.000 0.746 75 L CB -2.052 39.887 42.059 -0.200 0.000 0.896 75 L HN 0.650 nan 8.230 nan 0.000 0.435 76 S N -0.255 115.413 115.700 -0.054 0.000 2.387 76 S HA 0.001 4.471 4.470 -0.000 0.000 0.230 76 S C 2.429 177.048 174.600 0.032 0.000 1.035 76 S CA 2.758 60.953 58.200 -0.007 0.000 1.014 76 S CB -0.732 62.466 63.200 -0.003 0.000 0.836 76 S HN 1.306 nan 8.310 nan 0.000 0.466 77 A N 1.092 123.930 122.820 0.030 0.000 1.832 77 A HA 0.213 4.533 4.320 -0.000 0.000 0.214 77 A C 2.426 180.056 177.584 0.077 0.000 1.200 77 A CA 2.692 54.755 52.037 0.043 0.000 0.610 77 A CB -1.307 17.710 19.000 0.027 0.000 0.842 77 A HN 0.855 nan 8.150 nan 0.000 0.444 78 K N -0.071 120.395 120.400 0.111 0.000 2.589 78 K HA 0.025 4.345 4.320 -0.000 0.000 0.195 78 K C 1.961 178.702 176.600 0.235 0.000 1.040 78 K CA 1.764 58.141 56.287 0.151 0.000 0.950 78 K CB -1.060 31.559 32.500 0.198 0.000 0.781 78 K HN 0.519 nan 8.250 nan 0.000 0.486 79 S N -1.114 114.725 115.700 0.233 0.000 2.458 79 S HA -0.047 4.423 4.470 -0.000 0.000 0.223 79 S C 1.933 176.623 174.600 0.149 0.000 1.019 79 S CA 0.916 59.277 58.200 0.269 0.000 0.937 79 S CB -0.413 62.883 63.200 0.160 0.000 0.788 79 S HN 0.752 nan 8.310 nan 0.000 0.511 80 c N 1.836 120.496 118.600 0.100 0.000 2.512 80 c HA 0.248 4.818 4.570 -0.000 0.000 0.276 80 c C 1.152 175.270 174.090 0.047 0.000 1.368 80 c CA -0.669 55.702 56.329 0.070 0.000 1.755 80 c CB -1.334 41.210 42.510 0.058 0.000 2.008 80 c HN 0.677 nan 8.230 nan 0.000 0.511 81 E N 2.424 122.647 120.200 0.038 0.000 3.025 81 E HA -0.111 4.239 4.350 -0.000 0.000 0.248 81 E C 0.242 176.842 176.600 0.001 0.000 0.938 81 E CA 0.145 56.551 56.400 0.011 0.000 0.958 81 E CB 0.409 30.104 29.700 -0.008 0.000 0.898 81 E HN 0.426 nan 8.360 nan 0.000 0.537 82 S N 5.262 120.963 115.700 0.002 0.000 2.593 82 S HA -0.154 4.316 4.470 -0.000 0.000 0.300 82 S C 0.381 174.971 174.600 -0.017 0.000 1.267 82 S CA 0.635 58.834 58.200 -0.001 0.000 1.065 82 S CB 0.067 63.267 63.200 0.000 0.000 0.807 82 S HN 0.841 nan 8.310 nan 0.000 0.499 83 N N 2.330 121.019 118.700 -0.018 0.000 2.699 83 N HA -0.182 4.558 4.740 -0.000 0.000 0.257 83 N C -0.602 174.868 175.510 -0.067 0.000 1.077 83 N CA 0.883 53.911 53.050 -0.037 0.000 0.702 83 N CB -1.414 37.051 38.487 -0.036 0.000 0.886 83 N HN 0.796 nan 8.380 nan 0.000 0.549 84 S N 0.047 115.705 115.700 -0.070 0.000 2.616 84 S HA 0.638 5.108 4.470 -0.000 0.000 0.277 84 S C -1.146 173.325 174.600 -0.215 0.000 1.234 84 S CA -0.920 57.200 58.200 -0.132 0.000 1.028 84 S CB 1.963 65.126 63.200 -0.062 0.000 0.988 84 S HN 0.065 nan 8.310 nan 0.000 0.522 85 P HA 0.034 nan 4.420 nan 0.000 0.215 85 P C -0.094 176.962 177.300 -0.407 0.000 1.153 85 P CA 0.795 63.608 63.100 -0.480 0.000 0.853 85 P CB -0.089 31.171 31.700 -0.732 0.000 0.788 86 F N -0.371 119.485 119.950 -0.157 0.000 2.490 86 F HA 0.219 4.746 4.527 -0.000 0.000 0.336 86 F C -1.714 173.929 175.800 -0.262 0.000 1.178 86 F CA -2.832 55.028 58.000 -0.234 0.000 1.301 86 F CB -1.516 37.349 39.000 -0.225 0.000 1.175 86 F HN -0.173 nan 8.300 nan 0.000 0.593 87 P HA 0.260 nan 4.420 nan 0.000 0.274 87 P C -1.072 176.101 177.300 -0.211 0.000 1.231 87 P CA -0.240 62.667 63.100 -0.322 0.000 0.790 87 P CB 0.943 32.212 31.700 -0.718 0.000 0.951 88 V N 3.090 123.029 119.914 0.042 0.000 2.487 88 V HA 0.236 4.356 4.120 -0.000 0.000 0.298 88 V C 0.174 176.433 176.094 0.275 0.000 1.028 88 V CA -0.668 61.733 62.300 0.168 0.000 0.860 88 V CB 0.994 32.893 31.823 0.127 0.000 0.991 88 V HN 0.582 nan 8.190 nan 0.000 0.427 89 H N 4.256 123.543 119.070 0.361 0.000 2.615 89 H HA 0.283 4.839 4.556 -0.000 0.000 0.363 89 H C -2.345 173.066 175.328 0.140 0.000 1.148 89 H CA -1.858 54.316 56.048 0.210 0.000 1.401 89 H CB 1.317 31.148 29.762 0.114 0.000 1.461 89 H HN 0.363 nan 8.280 nan 0.000 0.588 90 P HA 0.123 nan 4.420 nan 0.000 0.276 90 P C 0.654 178.024 177.300 0.117 0.000 1.264 90 P CA 0.788 63.977 63.100 0.149 0.000 0.769 90 P CB 0.620 32.388 31.700 0.113 0.000 0.840 91 G N 2.167 111.029 108.800 0.104 0.000 2.211 91 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.201 91 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.201 91 G C 1.166 176.122 174.900 0.092 0.000 0.997 91 G CA 0.364 45.511 45.100 0.079 0.000 0.652 91 G HN 0.409 nan 8.290 nan 0.000 0.500 92 T N 1.454 116.087 114.554 0.132 0.000 2.588 92 T HA 0.115 4.465 4.350 -0.000 0.000 0.261 92 T C 2.759 177.517 174.700 0.098 0.000 1.069 92 T CA 2.728 64.911 62.100 0.137 0.000 1.172 92 T CB -0.596 68.382 68.868 0.183 0.000 0.863 92 T HN 1.230 nan 8.240 nan 0.000 0.408 93 A N 1.254 124.127 122.820 0.089 0.000 2.076 93 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 93 A C 2.271 179.887 177.584 0.054 0.000 1.160 93 A CA 2.276 54.353 52.037 0.066 0.000 0.653 93 A CB -1.024 18.012 19.000 0.059 0.000 0.801 93 A HN 0.671 nan 8.150 nan 0.000 0.455 94 E N -0.770 119.463 120.200 0.056 0.000 2.012 94 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 94 E C 2.176 178.799 176.600 0.039 0.000 0.977 94 E CA 1.250 57.675 56.400 0.043 0.000 0.832 94 E CB -1.543 28.182 29.700 0.042 0.000 0.790 94 E HN 1.254 nan 8.360 nan 0.000 0.466 95 c N -0.108 118.517 118.600 0.042 0.000 2.503 95 c HA 0.217 4.787 4.570 -0.000 0.000 0.285 95 c C 2.534 176.647 174.090 0.039 0.000 1.473 95 c CA -0.176 56.175 56.329 0.036 0.000 1.708 95 c CB -2.245 40.285 42.510 0.033 0.000 1.638 95 c HN 0.681 nan 8.230 nan 0.000 0.585 96 c N 1.253 119.880 118.600 0.045 0.000 2.448 96 c HA 0.025 4.595 4.570 -0.000 0.000 0.280 96 c C 2.018 176.128 174.090 0.033 0.000 1.398 96 c CA 1.377 57.733 56.329 0.045 0.000 1.774 96 c CB -1.908 40.633 42.510 0.051 0.000 1.888 96 c HN 0.762 nan 8.230 nan 0.000 0.519 97 T N 2.544 117.116 114.554 0.029 0.000 2.571 97 T HA 0.099 4.449 4.350 -0.000 0.000 0.239 97 T C -0.189 174.523 174.700 0.020 0.000 1.092 97 T CA 1.048 63.161 62.100 0.022 0.000 1.546 97 T CB -0.808 68.072 68.868 0.020 0.000 1.090 97 T HN 0.624 nan 8.240 nan 0.000 0.510 104 K N 0.227 120.634 120.400 0.013 0.000 3.529 104 K HA -0.116 4.204 4.320 -0.000 0.000 0.313 104 K C -0.431 176.182 176.600 0.022 0.000 1.316 104 K CA 1.329 57.627 56.287 0.018 0.000 0.988 104 K CB -1.072 31.438 32.500 0.016 0.000 1.252 104 K HN 0.441 nan 8.250 nan 0.000 0.438 105 L N 1.350 122.584 121.223 0.019 0.000 2.998 105 L HA 0.106 4.446 4.340 -0.000 0.000 0.234 105 L C 1.973 178.857 176.870 0.024 0.000 1.350 105 L CA -0.031 54.823 54.840 0.023 0.000 1.202 105 L CB -0.098 41.971 42.059 0.017 0.000 1.583 105 L HN 0.445 nan 8.230 nan 0.000 0.456 106 c N -0.467 118.149 118.600 0.026 0.000 2.467 106 c HA -0.093 4.477 4.570 -0.000 0.000 0.279 106 c C 2.590 176.695 174.090 0.026 0.000 1.347 106 c CA 0.222 56.565 56.329 0.022 0.000 1.748 106 c CB -0.223 42.301 42.510 0.024 0.000 1.977 106 c HN 0.700 nan 8.230 nan 0.000 0.501 107 M N 2.055 121.684 119.600 0.048 0.000 2.108 107 M HA -0.158 4.322 4.480 -0.000 0.000 0.257 107 M C 2.546 178.871 176.300 0.041 0.000 1.071 107 M CA 2.454 57.798 55.300 0.073 0.000 1.093 107 M CB -0.672 32.000 32.600 0.119 0.000 1.345 107 M HN 0.551 nan 8.290 nan 0.000 0.403 108 A N 0.052 122.893 122.820 0.035 0.000 2.067 108 A HA 0.114 4.434 4.320 -0.000 0.000 0.219 108 A C 2.343 179.918 177.584 -0.016 0.000 1.158 108 A CA 1.589 53.636 52.037 0.016 0.000 0.661 108 A CB -0.688 18.328 19.000 0.026 0.000 0.801 108 A HN 0.520 nan 8.150 nan 0.000 0.452 109 A N -0.335 122.476 122.820 -0.016 0.000 1.930 109 A HA 0.308 4.627 4.320 -0.000 0.000 0.215 109 A C 1.033 178.584 177.584 -0.055 0.000 1.176 109 A CA 0.011 52.031 52.037 -0.027 0.000 0.632 109 A CB -0.422 18.569 19.000 -0.014 0.000 0.819 109 A HN 0.427 nan 8.150 nan 0.000 0.445 110 L N 0.735 121.916 121.223 -0.070 0.000 2.559 110 L HA 0.245 4.585 4.340 -0.000 0.000 0.282 110 L C 0.811 177.569 176.870 -0.186 0.000 1.232 110 L CA 0.197 54.967 54.840 -0.116 0.000 0.885 110 L CB 0.096 42.081 42.059 -0.124 0.000 1.131 110 L HN 0.390 nan 8.230 nan 0.000 0.498 111 K N 3.404 123.706 120.400 -0.163 0.000 2.138 111 K HA 0.354 4.674 4.320 -0.000 0.000 0.263 111 K C -0.379 176.098 176.600 -0.205 0.000 0.965 111 K CA -0.708 55.473 56.287 -0.177 0.000 0.868 111 K CB 0.892 33.304 32.500 -0.148 0.000 1.083 111 K HN 0.802 nan 8.250 nan 0.000 0.443 112 H N 0.593 119.515 119.070 -0.247 0.000 2.487 112 H HA 0.446 5.002 4.556 -0.000 0.000 0.333 112 H C -1.062 174.214 175.328 -0.088 0.000 1.114 112 H CA -0.456 55.483 56.048 -0.182 0.000 1.310 112 H CB 1.223 30.889 29.762 -0.160 0.000 1.462 112 H HN 0.542 nan 8.280 nan 0.000 0.516 113 Q N 3.721 123.496 119.800 -0.041 0.000 2.241 113 Q HA 0.339 4.679 4.340 -0.000 0.000 0.254 113 Q C -2.286 173.727 176.000 0.020 0.000 0.917 113 Q CA -1.706 54.052 55.803 -0.075 0.000 0.919 113 Q CB 1.309 30.044 28.738 -0.004 0.000 1.237 113 Q HN 0.586 nan 8.270 nan 0.000 0.434 114 P HA 0.003 nan 4.420 nan 0.000 0.273 114 P C -1.101 176.201 177.300 0.004 0.000 1.250 114 P CA -0.583 62.522 63.100 0.007 0.000 0.793 114 P CB 0.535 32.201 31.700 -0.057 0.000 1.011 115 Q N 0.608 120.391 119.800 -0.028 0.000 2.360 115 Q HA 0.108 4.448 4.340 -0.000 0.000 0.254 115 Q C 0.193 176.129 176.000 -0.106 0.000 0.975 115 Q CA 0.512 56.290 55.803 -0.041 0.000 0.912 115 Q CB 0.296 28.976 28.738 -0.097 0.000 1.212 115 Q HN 0.343 nan 8.270 nan 0.000 0.452 116 E N 3.115 123.241 120.200 -0.123 0.000 2.447 116 E HA 0.074 4.424 4.350 -0.000 0.000 0.195 116 E C -0.624 175.583 176.600 -0.656 0.000 1.028 116 E CA 0.178 56.347 56.400 -0.384 0.000 0.876 116 E CB 0.384 29.794 29.700 -0.484 0.000 0.885 116 E HN 0.486 nan 8.360 nan 0.000 0.500 117 F N 1.584 121.453 119.950 -0.135 0.000 2.453 117 F HA 0.314 4.841 4.527 0.000 0.000 0.358 117 F C -2.346 173.363 175.800 -0.151 0.000 1.129 117 F CA -2.696 55.217 58.000 -0.145 0.000 1.200 117 F CB 0.805 39.704 39.000 -0.169 0.000 1.431 117 F HN -0.230 nan 8.300 nan 0.000 0.503 118 P HA 0.078 nan 4.420 nan 0.000 0.266 118 P C 0.715 177.956 177.300 -0.097 0.000 1.195 118 P CA 0.161 63.139 63.100 -0.203 0.000 0.768 118 P CB 0.763 32.284 31.700 -0.299 0.000 0.838 119 T N -1.408 113.079 114.554 -0.113 0.000 3.231 119 T HA 0.127 4.477 4.350 -0.000 0.000 0.292 119 T C 0.034 174.709 174.700 -0.040 0.000 1.001 119 T CA -0.336 61.734 62.100 -0.051 0.000 0.920 119 T CB -0.868 67.977 68.868 -0.039 0.000 1.140 119 T HN 0.206 nan 8.240 nan 0.000 0.525 120 Y N 2.230 122.437 120.300 -0.155 0.000 2.526 120 Y HA 0.487 5.036 4.550 -0.001 0.000 0.330 120 Y C -0.796 175.128 175.900 0.038 0.000 1.156 120 Y CA -0.483 57.573 58.100 -0.074 0.000 1.419 120 Y CB 0.566 38.969 38.460 -0.094 0.000 1.250 120 Y HN 0.096 nan 8.280 nan 0.000 0.540 121 V N 7.204 126.629 119.914 -0.814 0.000 2.569 121 V HA 0.154 4.274 4.120 -0.000 0.000 0.301 121 V C -0.494 175.173 176.094 -0.712 0.000 1.044 121 V CA -1.281 60.697 62.300 -0.536 0.000 0.874 121 V CB 1.582 33.268 31.823 -0.228 0.000 1.002 121 V HN 0.782 nan 8.190 nan 0.000 0.424 122 E N 6.139 126.078 120.200 -0.435 0.000 2.376 122 E HA 0.294 4.644 4.350 -0.000 0.000 0.266 122 E C -2.196 174.374 176.600 -0.050 0.000 1.009 122 E CA -1.067 55.260 56.400 -0.123 0.000 0.902 122 E CB 1.033 30.831 29.700 0.163 0.000 0.972 122 E HN 0.472 nan 8.360 nan 0.000 0.439 123 P HA 0.062 nan 4.420 nan 0.000 0.275 123 P C -0.723 176.566 177.300 -0.017 0.000 1.266 123 P CA -0.482 62.627 63.100 0.014 0.000 0.793 123 P CB 0.423 32.168 31.700 0.076 0.000 1.074 124 T N -1.897 112.637 114.554 -0.033 0.000 2.813 124 T HA 0.105 4.454 4.350 -0.000 0.000 0.297 124 T C 1.179 175.800 174.700 -0.133 0.000 1.036 124 T CA -0.450 61.607 62.100 -0.071 0.000 1.044 124 T CB 0.098 68.940 68.868 -0.043 0.000 0.993 124 T HN 0.165 nan 8.240 nan 0.000 0.535 125 N N 0.925 119.498 118.700 -0.211 0.000 2.104 125 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 125 N C 1.526 176.966 175.510 -0.118 0.000 1.024 125 N CA 1.654 54.509 53.050 -0.325 0.000 0.853 125 N CB -0.736 37.581 38.487 -0.284 0.000 1.008 125 N HN 0.871 nan 8.380 nan 0.000 0.424 126 D N 0.737 121.107 120.400 -0.051 0.000 2.097 126 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 126 D C 1.586 177.883 176.300 -0.005 0.000 0.989 126 D CA 1.145 55.141 54.000 -0.007 0.000 0.827 126 D CB 0.004 40.805 40.800 0.002 0.000 0.966 126 D HN 0.287 nan 8.370 nan 0.000 0.456 127 E N -0.398 119.798 120.200 -0.008 0.000 2.130 127 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 127 E C 2.280 178.891 176.600 0.018 0.000 0.998 127 E CA 0.950 57.362 56.400 0.019 0.000 0.806 127 E CB -0.065 29.654 29.700 0.030 0.000 0.738 127 E HN 0.454 nan 8.360 nan 0.000 0.459 128 I N 0.209 120.766 120.570 -0.022 0.000 2.163 128 I HA -0.306 3.864 4.170 -0.000 0.000 0.240 128 I C 2.330 178.352 176.117 -0.158 0.000 1.081 128 I CA 0.726 61.973 61.300 -0.088 0.000 1.353 128 I CB -0.242 37.693 38.000 -0.110 0.000 1.054 128 I HN 0.266 nan 8.210 nan 0.000 0.407 129 c N 0.483 119.063 118.600 -0.033 0.000 2.440 129 c HA -0.087 4.483 4.570 -0.000 0.000 0.278 129 c C 2.719 176.837 174.090 0.046 0.000 1.295 129 c CA 0.446 56.802 56.329 0.045 0.000 1.738 129 c CB -0.935 41.633 42.510 0.097 0.000 1.987 129 c HN 0.476 nan 8.230 nan 0.000 0.492 130 E N 1.261 121.474 120.200 0.021 0.000 2.051 130 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 130 E C 2.455 179.066 176.600 0.018 0.000 0.991 130 E CA 1.597 58.010 56.400 0.022 0.000 0.799 130 E CB -0.689 29.026 29.700 0.025 0.000 0.748 130 E HN 0.639 nan 8.360 nan 0.000 0.449 131 A N 0.947 123.778 122.820 0.018 0.000 1.908 131 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 131 A C 2.080 179.676 177.584 0.021 0.000 1.181 131 A CA 1.383 53.455 52.037 0.058 0.000 0.627 131 A CB -0.812 18.280 19.000 0.154 0.000 0.818 131 A HN 0.276 nan 8.150 nan 0.000 0.445 132 F N 1.612 121.371 119.950 -0.318 0.000 2.186 132 F HA -0.168 4.359 4.527 0.002 0.000 0.299 132 F C 2.458 178.204 175.800 -0.091 0.000 1.090 132 F CA 1.790 59.606 58.000 -0.306 0.000 1.307 132 F CB -0.201 38.516 39.000 -0.472 0.000 1.019 132 F HN 0.364 nan 8.300 nan 0.000 0.489 133 R N 0.153 120.556 120.500 -0.161 0.000 2.093 133 R HA -0.040 4.300 4.340 -0.000 0.000 0.224 133 R C 2.043 178.244 176.300 -0.165 0.000 1.101 133 R CA 1.293 57.263 56.100 -0.216 0.000 0.979 133 R CB -0.724 29.535 30.300 -0.068 0.000 0.877 133 R HN 0.170 nan 8.270 nan 0.000 0.441 134 K N 0.296 120.648 120.400 -0.080 0.000 2.002 134 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 134 K C 0.202 176.779 176.600 -0.038 0.000 1.048 134 K CA 1.475 57.739 56.287 -0.037 0.000 0.930 134 K CB -0.027 32.478 32.500 0.008 0.000 0.714 134 K HN 0.109 nan 8.250 nan 0.000 0.438 135 D N -1.244 119.144 120.400 -0.019 0.000 2.429 135 D HA 0.178 4.818 4.640 -0.000 0.000 0.255 135 D C -2.363 173.965 176.300 0.047 0.000 1.257 135 D CA -2.058 51.954 54.000 0.020 0.000 0.890 135 D CB 1.329 42.181 40.800 0.088 0.000 1.267 135 D HN -0.230 nan 8.370 nan 0.000 0.521 136 P HA -0.160 nan 4.420 nan 0.000 0.216 136 P C 1.415 178.830 177.300 0.191 0.000 1.153 136 P CA 1.062 64.085 63.100 -0.129 0.000 0.858 136 P CB 0.504 31.985 31.700 -0.365 0.000 0.789 137 K N -0.012 120.468 120.400 0.133 0.000 2.001 137 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 137 K C 2.068 178.803 176.600 0.224 0.000 1.048 137 K CA 1.899 58.288 56.287 0.171 0.000 0.932 137 K CB -0.963 31.606 32.500 0.115 0.000 0.715 137 K HN 0.301 nan 8.250 nan 0.000 0.437 138 E N 0.130 120.465 120.200 0.224 0.000 2.204 138 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 138 E C 2.023 178.802 176.600 0.299 0.000 0.989 138 E CA 1.011 57.583 56.400 0.287 0.000 0.824 138 E CB -0.656 29.197 29.700 0.256 0.000 0.756 138 E HN 0.371 nan 8.360 nan 0.000 0.477 139 Y N 1.024 121.460 120.300 0.228 0.000 2.200 139 Y HA -0.027 4.523 4.550 -0.001 0.000 0.290 139 Y C 2.338 178.417 175.900 0.299 0.000 1.137 139 Y CA 1.862 60.113 58.100 0.251 0.000 1.163 139 Y CB -0.696 37.940 38.460 0.294 0.000 0.988 139 Y HN 0.136 nan 8.280 nan 0.000 0.518 140 A N 0.432 123.326 122.820 0.123 0.000 1.968 140 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 140 A C 1.993 179.674 177.584 0.163 0.000 1.169 140 A CA 1.563 53.667 52.037 0.112 0.000 0.638 140 A CB -0.609 18.553 19.000 0.270 0.000 0.812 140 A HN 0.583 nan 8.150 nan 0.000 0.446 141 N N -0.295 118.535 118.700 0.217 0.000 2.171 141 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 141 N C 1.911 177.555 175.510 0.222 0.000 1.021 141 N CA 1.636 54.876 53.050 0.318 0.000 0.854 141 N CB -0.417 38.342 38.487 0.454 0.000 0.994 141 N HN 0.712 nan 8.380 nan 0.000 0.426 142 Q N 0.346 120.091 119.800 -0.091 0.000 2.170 142 Q HA -0.088 4.252 4.340 -0.000 0.000 0.203 142 Q C 1.814 177.749 176.000 -0.108 0.000 0.976 142 Q CA 1.189 56.596 55.803 -0.661 0.000 0.858 142 Q CB -0.493 27.947 28.738 -0.497 0.000 0.907 142 Q HN 0.341 nan 8.270 nan 0.000 0.433 143 F N 0.070 119.904 119.950 -0.192 0.000 2.128 143 F HA 0.029 4.556 4.527 0.000 0.000 0.295 143 F C 1.845 177.628 175.800 -0.029 0.000 1.100 143 F CA 1.478 59.399 58.000 -0.132 0.000 1.260 143 F CB -0.207 38.622 39.000 -0.285 0.000 1.009 143 F HN 0.095 nan 8.300 nan 0.000 0.476 144 M N -1.240 118.298 119.600 -0.102 0.000 2.159 144 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 144 M C 2.085 178.349 176.300 -0.060 0.000 1.063 144 M CA 2.118 57.337 55.300 -0.136 0.000 1.110 144 M CB -0.832 31.818 32.600 0.083 0.000 1.374 144 M HN 0.533 nan 8.290 nan 0.000 0.411 145 W N 1.510 122.752 121.300 -0.097 0.000 2.380 145 W HA -0.200 4.460 4.660 0.000 0.000 0.317 145 W C 2.249 178.705 176.519 -0.105 0.000 1.196 145 W CA 1.962 59.291 57.345 -0.026 0.000 1.307 145 W CB -0.498 29.017 29.460 0.092 0.000 1.157 145 W HN 0.236 nan 8.180 nan 0.000 0.483 146 E N -1.331 118.622 120.200 -0.412 0.000 2.110 146 E HA -0.335 4.015 4.350 -0.000 0.000 0.193 146 E C 2.186 178.431 176.600 -0.592 0.000 0.988 146 E CA 1.664 57.604 56.400 -0.767 0.000 0.804 146 E CB -0.747 28.840 29.700 -0.187 0.000 0.745 146 E HN 0.480 nan 8.360 nan 0.000 0.458 147 Y N 0.594 120.470 120.300 -0.706 0.000 2.220 147 Y HA -0.122 4.428 4.550 -0.000 0.000 0.291 147 Y C 2.447 178.081 175.900 -0.443 0.000 1.129 147 Y CA 1.834 59.491 58.100 -0.739 0.000 1.161 147 Y CB -0.046 37.733 38.460 -1.134 0.000 0.997 147 Y HN 0.025 nan 8.280 nan 0.000 0.522 148 S N -0.958 114.578 115.700 -0.274 0.000 2.406 148 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 148 S C 2.009 176.436 174.600 -0.288 0.000 1.020 148 S CA 1.592 59.677 58.200 -0.191 0.000 0.965 148 S CB -0.671 62.472 63.200 -0.095 0.000 0.798 148 S HN 0.738 nan 8.310 nan 0.000 0.488 149 T N 0.902 115.188 114.554 -0.447 0.000 2.904 149 T HA 0.038 4.388 4.350 -0.000 0.000 0.267 149 T C 1.554 175.996 174.700 -0.430 0.000 1.059 149 T CA 0.857 62.705 62.100 -0.421 0.000 1.137 149 T CB -0.301 68.200 68.868 -0.611 0.000 0.879 149 T HN 0.246 nan 8.240 nan 0.000 0.467 150 N N 0.677 119.014 118.700 -0.605 0.000 2.250 150 N HA 0.007 4.747 4.740 -0.000 0.000 0.181 150 N C 0.037 174.980 175.510 -0.945 0.000 1.017 150 N CA 0.982 53.550 53.050 -0.803 0.000 0.866 150 N CB 0.033 37.889 38.487 -1.053 0.000 0.985 150 N HN 0.558 nan 8.380 nan 0.000 0.429 151 Y N -0.674 119.362 120.300 -0.441 0.000 2.699 151 Y HA 0.347 4.898 4.550 0.001 0.000 0.282 151 Y C 1.665 177.419 175.900 -0.244 0.000 1.058 151 Y CA -0.680 57.197 58.100 -0.372 0.000 1.194 151 Y CB 0.562 38.687 38.460 -0.557 0.000 1.193 151 Y HN -0.072 nan 8.280 nan 0.000 0.562 152 G N -0.163 108.566 108.800 -0.120 0.000 2.559 152 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 152 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 152 G C 1.454 176.342 174.900 -0.020 0.000 1.126 152 G CA 0.590 45.646 45.100 -0.073 0.000 0.778 152 G HN 0.254 nan 8.290 nan 0.000 0.543 153 Q N 0.142 119.937 119.800 -0.008 0.000 2.451 153 Q HA 0.268 4.608 4.340 -0.000 0.000 0.206 153 Q C 1.453 177.444 176.000 -0.016 0.000 0.947 153 Q CA 0.298 56.106 55.803 0.008 0.000 0.937 153 Q CB 0.056 28.794 28.738 -0.001 0.000 1.025 153 Q HN 0.448 nan 8.270 nan 0.000 0.511 154 A N 2.539 125.343 122.820 -0.027 0.000 2.366 154 A HA 0.350 4.670 4.320 -0.000 0.000 0.249 154 A C -2.189 175.370 177.584 -0.041 0.000 1.084 154 A CA -1.104 50.902 52.037 -0.052 0.000 0.794 154 A CB -0.305 18.658 19.000 -0.061 0.000 1.034 154 A HN -0.040 nan 8.150 nan 0.000 0.491 155 P HA 0.013 nan 4.420 nan 0.000 0.265 155 P C 0.961 178.244 177.300 -0.030 0.000 1.193 155 P CA -0.265 62.808 63.100 -0.045 0.000 0.765 155 P CB 0.400 32.064 31.700 -0.061 0.000 0.823 156 L N 4.418 125.625 121.223 -0.026 0.000 2.013 156 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 156 L C 2.198 179.060 176.870 -0.013 0.000 1.073 156 L CA 2.721 57.548 54.840 -0.021 0.000 0.753 156 L CB -1.568 40.472 42.059 -0.030 0.000 0.890 156 L HN 0.458 nan 8.230 nan 0.000 0.432 157 S N -1.079 114.610 115.700 -0.017 0.000 2.374 157 S HA -0.251 4.219 4.470 -0.000 0.000 0.227 157 S C 2.025 176.622 174.600 -0.005 0.000 1.037 157 S CA 1.636 59.829 58.200 -0.012 0.000 1.024 157 S CB -1.083 62.106 63.200 -0.018 0.000 0.861 157 S HN 0.381 nan 8.310 nan 0.000 0.456 158 L N 1.272 122.488 121.223 -0.013 0.000 2.072 158 L HA 0.257 4.597 4.340 -0.000 0.000 0.205 158 L C 2.456 179.350 176.870 0.040 0.000 1.079 158 L CA 1.302 56.137 54.840 -0.008 0.000 0.752 158 L CB -0.855 41.173 42.059 -0.051 0.000 0.906 158 L HN 0.352 nan 8.230 nan 0.000 0.436 159 L N -1.921 119.328 121.223 0.044 0.000 2.012 159 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 159 L C 2.434 179.347 176.870 0.071 0.000 1.073 159 L CA 1.086 55.982 54.840 0.093 0.000 0.748 159 L CB -0.696 41.405 42.059 0.071 0.000 0.891 159 L HN 0.071 nan 8.230 nan 0.000 0.431 160 V N -1.048 118.888 119.914 0.037 0.000 2.332 160 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 160 V C 2.700 178.811 176.094 0.028 0.000 1.055 160 V CA 2.104 64.419 62.300 0.025 0.000 1.038 160 V CB -0.353 31.476 31.823 0.010 0.000 0.651 160 V HN 0.442 nan 8.190 nan 0.000 0.450 161 S N -1.530 114.192 115.700 0.035 0.000 2.368 161 S HA -0.221 4.249 4.470 -0.000 0.000 0.224 161 S C 1.984 176.616 174.600 0.054 0.000 1.029 161 S CA 1.754 59.975 58.200 0.036 0.000 0.988 161 S CB -0.370 62.852 63.200 0.035 0.000 0.838 161 S HN 0.670 nan 8.310 nan 0.000 0.462 162 Y N 2.534 122.809 120.300 -0.042 0.000 2.163 162 Y HA -0.094 4.455 4.550 -0.002 0.000 0.288 162 Y C 2.774 178.659 175.900 -0.026 0.000 1.136 162 Y CA 2.257 60.320 58.100 -0.062 0.000 1.147 162 Y CB -1.159 37.219 38.460 -0.137 0.000 0.987 162 Y HN 0.466 nan 8.280 nan 0.000 0.509 163 T N -1.889 112.572 114.554 -0.155 0.000 2.833 163 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 163 T C 1.801 176.502 174.700 0.003 0.000 1.054 163 T CA 1.292 63.358 62.100 -0.056 0.000 1.135 163 T CB -0.197 68.683 68.868 0.022 0.000 0.869 163 T HN 0.114 nan 8.240 nan 0.000 0.466 164 K N 1.406 121.794 120.400 -0.020 0.000 2.062 164 K HA 0.156 4.476 4.320 -0.000 0.000 0.205 164 K C 2.770 179.336 176.600 -0.056 0.000 1.051 164 K CA 1.085 57.366 56.287 -0.009 0.000 0.941 164 K CB -0.741 31.760 32.500 0.001 0.000 0.719 164 K HN 0.406 nan 8.250 nan 0.000 0.440 165 S N 0.676 116.320 115.700 -0.094 0.000 2.368 165 S HA -0.141 4.328 4.470 -0.000 0.000 0.224 165 S C 1.857 176.349 174.600 -0.179 0.000 1.029 165 S CA 0.909 59.042 58.200 -0.112 0.000 0.988 165 S CB -0.387 62.768 63.200 -0.074 0.000 0.838 165 S HN 0.331 nan 8.310 nan 0.000 0.462 166 Y N 2.239 122.273 120.300 -0.442 0.000 2.145 166 Y HA -0.083 4.467 4.550 -0.000 0.000 0.286 166 Y C 1.892 177.578 175.900 -0.358 0.000 1.145 166 Y CA 1.350 59.155 58.100 -0.492 0.000 1.148 166 Y CB -0.343 37.633 38.460 -0.807 0.000 0.981 166 Y HN 0.134 nan 8.280 nan 0.000 0.507 167 L N -1.103 120.025 121.223 -0.159 0.000 2.141 167 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 167 L C 2.769 179.509 176.870 -0.217 0.000 1.094 167 L CA 1.490 56.239 54.840 -0.151 0.000 0.763 167 L CB -0.771 41.303 42.059 0.027 0.000 0.908 167 L HN 0.216 nan 8.230 nan 0.000 0.437 168 S N -0.070 115.525 115.700 -0.175 0.000 2.368 168 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 168 S C 2.055 176.503 174.600 -0.253 0.000 1.030 168 S CA 1.489 59.592 58.200 -0.162 0.000 0.999 168 S CB -0.135 62.998 63.200 -0.111 0.000 0.844 168 S HN 0.380 nan 8.310 nan 0.000 0.459 169 M N 0.835 120.247 119.600 -0.314 0.000 2.086 169 M HA -0.090 4.390 4.480 -0.000 0.000 0.261 169 M C 1.899 177.895 176.300 -0.506 0.000 1.067 169 M CA 1.840 56.915 55.300 -0.375 0.000 1.116 169 M CB -0.393 31.991 32.600 -0.360 0.000 1.348 169 M HN 0.258 nan 8.290 nan 0.000 0.407 170 V N 0.844 120.427 119.914 -0.550 0.000 2.287 170 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 170 V C 2.671 178.315 176.094 -0.750 0.000 1.053 170 V CA 2.178 64.130 62.300 -0.579 0.000 1.027 170 V CB -1.836 29.630 31.823 -0.595 0.000 0.646 170 V HN 0.769 nan 8.190 nan 0.000 0.447 171 G N 0.090 108.489 108.800 -0.669 0.000 2.446 171 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 171 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 171 G C 1.879 176.634 174.900 -0.241 0.000 1.168 171 G CA 1.581 46.414 45.100 -0.444 0.000 0.771 171 G HN 0.658 nan 8.290 nan 0.000 0.551 172 S N -0.802 114.739 115.700 -0.266 0.000 2.406 172 S HA -0.072 4.398 4.470 -0.000 0.000 0.224 172 S C 2.318 176.743 174.600 -0.292 0.000 1.030 172 S CA 1.199 59.269 58.200 -0.216 0.000 0.958 172 S CB -0.679 62.407 63.200 -0.190 0.000 0.811 172 S HN 0.314 nan 8.310 nan 0.000 0.489 173 c N 1.222 119.527 118.600 -0.491 0.000 2.440 173 c HA 0.080 4.650 4.570 -0.000 0.000 0.278 173 c C 2.922 176.714 174.090 -0.497 0.000 1.295 173 c CA 0.315 56.239 56.329 -0.676 0.000 1.738 173 c CB -1.568 40.069 42.510 -1.456 0.000 1.987 173 c HN 0.716 nan 8.230 nan 0.000 0.492 174 c N 0.923 119.294 118.600 -0.382 0.000 2.449 174 c HA -0.024 4.546 4.570 -0.000 0.000 0.283 174 c C 2.309 176.378 174.090 -0.035 0.000 1.453 174 c CA 1.712 57.974 56.329 -0.112 0.000 1.779 174 c CB -1.789 40.722 42.510 0.001 0.000 1.779 174 c HN 0.842 nan 8.230 nan 0.000 0.546 175 T N -2.367 112.148 114.554 -0.065 0.000 3.132 175 T HA 0.159 4.509 4.350 -0.000 0.000 0.274 175 T C 0.479 175.146 174.700 -0.055 0.000 1.011 175 T CA 0.276 62.361 62.100 -0.025 0.000 0.899 175 T CB -0.139 68.735 68.868 0.009 0.000 1.089 175 T HN 0.455 nan 8.240 nan 0.000 0.543 176 S N 0.680 116.322 115.700 -0.097 0.000 2.634 176 S HA 0.697 5.167 4.470 -0.000 0.000 0.261 176 S C 1.938 176.502 174.600 -0.060 0.000 1.271 176 S CA -0.236 57.908 58.200 -0.092 0.000 0.985 176 S CB 0.839 63.955 63.200 -0.139 0.000 0.968 176 S HN 0.394 nan 8.310 nan 0.000 0.568 177 A N 0.820 123.610 122.820 -0.050 0.000 1.917 177 A HA 0.076 4.396 4.320 -0.000 0.000 0.219 177 A C 1.476 179.044 177.584 -0.026 0.000 1.182 177 A CA 1.807 53.824 52.037 -0.032 0.000 0.633 177 A CB -0.877 18.106 19.000 -0.029 0.000 0.819 177 A HN 1.194 nan 8.150 nan 0.000 0.448 178 S N -1.728 113.952 115.700 -0.034 0.000 2.721 178 S HA 0.505 4.975 4.470 -0.000 0.000 0.264 178 S C -2.343 172.241 174.600 -0.026 0.000 1.161 178 S CA -1.144 57.046 58.200 -0.018 0.000 1.113 178 S CB 1.274 64.470 63.200 -0.008 0.000 1.079 178 S HN -0.002 nan 8.310 nan 0.000 0.479 179 P HA -0.115 nan 4.420 nan 0.000 0.216 179 P C 1.476 178.839 177.300 0.105 0.000 1.153 179 P CA 1.509 64.600 63.100 -0.014 0.000 0.858 179 P CB 0.036 31.779 31.700 0.072 0.000 0.789 180 T N -0.801 113.826 114.554 0.121 0.000 2.665 180 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 180 T C 1.809 176.572 174.700 0.105 0.000 1.035 180 T CA 1.590 63.770 62.100 0.134 0.000 1.151 180 T CB -1.103 67.809 68.868 0.074 0.000 0.862 180 T HN -0.083 nan 8.240 nan 0.000 0.438 181 V N 0.576 120.518 119.914 0.047 0.000 2.379 181 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 181 V C 2.815 178.913 176.094 0.007 0.000 1.044 181 V CA 1.309 63.625 62.300 0.026 0.000 1.036 181 V CB -0.823 31.002 31.823 0.004 0.000 0.664 181 V HN 0.699 nan 8.190 nan 0.000 0.453 182 c N -0.102 118.471 118.600 -0.045 0.000 2.413 182 c HA -0.237 4.333 4.570 -0.000 0.000 0.277 182 c C 2.560 176.579 174.090 -0.119 0.000 1.228 182 c CA 1.353 57.603 56.329 -0.133 0.000 1.731 182 c CB -1.205 41.149 42.510 -0.259 0.000 2.042 182 c HN 0.574 nan 8.230 nan 0.000 0.468 183 F N 0.068 119.980 119.950 -0.064 0.000 2.134 183 F HA -0.098 4.428 4.527 -0.002 0.000 0.299 183 F C 2.194 177.972 175.800 -0.036 0.000 1.097 183 F CA 1.437 59.396 58.000 -0.068 0.000 1.264 183 F CB -0.443 38.518 39.000 -0.066 0.000 1.001 183 F HN 0.213 nan 8.300 nan 0.000 0.479 184 L N 0.584 121.913 121.223 0.177 0.000 2.012 184 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 184 L C 2.146 179.059 176.870 0.073 0.000 1.073 184 L CA 1.922 56.825 54.840 0.104 0.000 0.748 184 L CB -0.555 41.546 42.059 0.070 0.000 0.891 184 L HN -0.021 nan 8.230 nan 0.000 0.431 185 K N -0.795 119.631 120.400 0.044 0.000 2.007 185 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 185 K C 2.003 178.615 176.600 0.020 0.000 1.047 185 K CA 1.638 57.937 56.287 0.021 0.000 0.937 185 K CB -0.247 32.250 32.500 -0.004 0.000 0.718 185 K HN 0.398 nan 8.250 nan 0.000 0.438 186 E N 0.656 120.858 120.200 0.002 0.000 2.153 186 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 186 E C 2.098 178.727 176.600 0.049 0.000 0.988 186 E CA 0.770 57.166 56.400 -0.007 0.000 0.811 186 E CB 0.045 29.694 29.700 -0.086 0.000 0.746 186 E HN 0.216 nan 8.360 nan 0.000 0.466 187 R N 0.244 120.804 120.500 0.101 0.000 2.115 187 R HA -0.093 4.247 4.340 -0.000 0.000 0.230 187 R C 2.310 178.678 176.300 0.113 0.000 1.111 187 R CA 0.482 56.663 56.100 0.135 0.000 0.976 187 R CB -0.169 30.224 30.300 0.155 0.000 0.870 187 R HN 0.105 nan 8.270 nan 0.000 0.445 188 L N 1.294 122.567 121.223 0.083 0.000 2.093 188 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 188 L C 2.017 178.928 176.870 0.068 0.000 1.085 188 L CA 1.717 56.599 54.840 0.069 0.000 0.755 188 L CB -0.176 41.913 42.059 0.050 0.000 0.904 188 L HN 0.117 nan 8.230 nan 0.000 0.435 189 Q N -1.188 118.648 119.800 0.059 0.000 2.230 189 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 189 Q C 1.944 177.999 176.000 0.092 0.000 0.963 189 Q CA 0.952 56.788 55.803 0.056 0.000 0.866 189 Q CB 0.035 28.791 28.738 0.030 0.000 0.931 189 Q HN 0.497 nan 8.270 nan 0.000 0.452 190 L N 0.001 121.293 121.223 0.114 0.000 2.567 190 L HA 0.021 4.360 4.340 -0.000 0.000 0.225 190 L C 2.061 179.039 176.870 0.180 0.000 1.119 190 L CA -0.050 54.892 54.840 0.170 0.000 0.871 190 L CB -0.007 42.179 42.059 0.213 0.000 1.036 190 L HN 0.018 nan 8.230 nan 0.000 0.459 191 K N 0.416 120.901 120.400 0.141 0.000 2.059 191 K HA -0.279 4.041 4.320 -0.000 0.000 0.212 191 K C 1.989 178.635 176.600 0.077 0.000 1.050 191 K CA 1.776 58.126 56.287 0.105 0.000 0.927 191 K CB -0.370 32.185 32.500 0.091 0.000 0.714 191 K HN 0.340 nan 8.250 nan 0.000 0.447 192 H N 0.419 119.497 119.070 0.014 0.000 2.265 192 H HA -0.146 4.411 4.556 0.002 0.000 0.295 192 H C 1.889 177.193 175.328 -0.041 0.000 1.084 192 H CA 2.201 58.239 56.048 -0.016 0.000 1.261 192 H CB -0.544 29.214 29.762 -0.007 0.000 1.360 192 H HN 0.089 nan 8.280 nan 0.000 0.487 193 L N -0.066 121.046 121.223 -0.185 0.000 2.131 193 L HA -0.106 4.233 4.340 -0.000 0.000 0.210 193 L C 2.652 179.340 176.870 -0.304 0.000 1.092 193 L CA 1.981 56.685 54.840 -0.227 0.000 0.759 193 L CB -1.183 40.917 42.059 0.068 0.000 0.903 193 L HN 0.436 nan 8.230 nan 0.000 0.435 194 S N -1.058 114.486 115.700 -0.260 0.000 2.355 194 S HA -0.133 4.337 4.470 -0.000 0.000 0.222 194 S C 2.013 176.351 174.600 -0.437 0.000 1.031 194 S CA 1.410 59.281 58.200 -0.549 0.000 0.993 194 S CB -0.304 62.797 63.200 -0.165 0.000 0.859 194 S HN 0.482 nan 8.310 nan 0.000 0.453 195 L N 0.837 121.903 121.223 -0.263 0.000 2.141 195 L HA -0.007 4.333 4.340 -0.000 0.000 0.209 195 L C 2.467 179.161 176.870 -0.292 0.000 1.094 195 L CA 0.586 55.291 54.840 -0.226 0.000 0.763 195 L CB -0.464 41.521 42.059 -0.123 0.000 0.908 195 L HN 0.352 nan 8.230 nan 0.000 0.437 196 L N -0.380 120.634 121.223 -0.349 0.000 2.046 196 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 196 L C 2.410 179.077 176.870 -0.339 0.000 1.077 196 L CA 2.069 56.688 54.840 -0.368 0.000 0.747 196 L CB -0.797 40.984 42.059 -0.463 0.000 0.896 196 L HN 0.148 nan 8.230 nan 0.000 0.432 197 T N -1.262 113.071 114.554 -0.368 0.000 2.737 197 T HA -0.160 4.190 4.350 -0.000 0.000 0.265 197 T C 1.770 176.250 174.700 -0.367 0.000 1.038 197 T CA 1.920 63.823 62.100 -0.329 0.000 1.144 197 T CB -0.651 68.007 68.868 -0.351 0.000 0.866 197 T HN 0.661 nan 8.240 nan 0.000 0.434 198 T N 1.258 115.524 114.554 -0.480 0.000 2.821 198 T HA -0.003 4.347 4.350 -0.000 0.000 0.267 198 T C 1.988 176.517 174.700 -0.286 0.000 1.046 198 T CA 0.798 62.587 62.100 -0.518 0.000 1.139 198 T CB -0.620 67.914 68.868 -0.557 0.000 0.871 198 T HN 0.165 nan 8.240 nan 0.000 0.454 199 L N 1.759 122.809 121.223 -0.289 0.000 2.017 199 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 199 L C 2.583 179.280 176.870 -0.289 0.000 1.073 199 L CA 1.836 56.496 54.840 -0.299 0.000 0.745 199 L CB -1.168 40.688 42.059 -0.339 0.000 0.894 199 L HN 0.257 nan 8.230 nan 0.000 0.432 200 S N -0.136 115.397 115.700 -0.277 0.000 2.382 200 S HA -0.212 4.258 4.470 -0.000 0.000 0.228 200 S C 1.781 176.285 174.600 -0.160 0.000 1.027 200 S CA 1.468 59.529 58.200 -0.231 0.000 0.991 200 S CB -0.679 62.392 63.200 -0.215 0.000 0.823 200 S HN 0.703 nan 8.310 nan 0.000 0.469 201 N N 1.338 119.957 118.700 -0.135 0.000 2.084 201 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 201 N C 1.762 177.239 175.510 -0.055 0.000 1.030 201 N CA 1.392 54.405 53.050 -0.062 0.000 0.849 201 N CB -0.164 38.337 38.487 0.022 0.000 1.012 201 N HN 0.152 nan 8.380 nan 0.000 0.423 202 R N 0.342 120.796 120.500 -0.076 0.000 2.070 202 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 202 R C 2.188 178.457 176.300 -0.051 0.000 1.138 202 R CA 2.018 58.082 56.100 -0.061 0.000 0.936 202 R CB -0.966 29.276 30.300 -0.096 0.000 0.839 202 R HN 0.324 nan 8.270 nan 0.000 0.429 203 V N -2.110 117.746 119.914 -0.098 0.000 2.515 203 V HA -0.158 3.962 4.120 -0.000 0.000 0.250 203 V C 2.184 178.287 176.094 0.015 0.000 1.058 203 V CA 1.708 63.993 62.300 -0.024 0.000 1.064 203 V CB -0.967 30.823 31.823 -0.055 0.000 0.675 203 V HN 0.398 nan 8.190 nan 0.000 0.461 204 c N 0.387 118.968 118.600 -0.031 0.000 2.446 204 c HA 0.002 4.572 4.570 -0.000 0.000 0.279 204 c C 3.232 177.361 174.090 0.065 0.000 1.366 204 c CA 1.341 57.677 56.329 0.013 0.000 1.763 204 c CB -0.898 41.586 42.510 -0.043 0.000 1.929 204 c HN 0.739 nan 8.230 nan 0.000 0.509 205 S N 0.376 116.083 115.700 0.010 0.000 2.371 205 S HA -0.173 4.297 4.470 -0.000 0.000 0.224 205 S C 1.911 176.488 174.600 -0.039 0.000 1.029 205 S CA 1.390 59.576 58.200 -0.022 0.000 0.978 205 S CB -0.193 62.975 63.200 -0.054 0.000 0.833 205 S HN 0.714 nan 8.310 nan 0.000 0.466 206 Q N -0.914 118.877 119.800 -0.014 0.000 2.084 206 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 206 Q C 1.906 177.925 176.000 0.032 0.000 0.978 206 Q CA 1.834 57.605 55.803 -0.054 0.000 0.844 206 Q CB -0.378 28.395 28.738 0.058 0.000 0.898 206 Q HN 0.761 nan 8.270 nan 0.000 0.426 207 Y N 0.929 121.232 120.300 0.006 0.000 2.181 207 Y HA -0.221 4.330 4.550 0.001 0.000 0.288 207 Y C 2.248 178.159 175.900 0.018 0.000 1.146 207 Y CA 1.436 59.563 58.100 0.044 0.000 1.164 207 Y CB -0.303 38.168 38.460 0.018 0.000 0.982 207 Y HN 0.082 nan 8.280 nan 0.000 0.515 208 A N 0.184 123.039 122.820 0.059 0.000 1.930 208 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 208 A C 2.370 179.881 177.584 -0.122 0.000 1.175 208 A CA 1.526 53.532 52.037 -0.051 0.000 0.627 208 A CB -1.369 17.618 19.000 -0.022 0.000 0.815 208 A HN 0.573 nan 8.150 nan 0.000 0.443 209 A N -1.506 121.230 122.820 -0.140 0.000 1.930 209 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 209 A C 2.035 179.551 177.584 -0.114 0.000 1.175 209 A CA 1.593 53.518 52.037 -0.188 0.000 0.627 209 A CB -0.601 18.213 19.000 -0.309 0.000 0.815 209 A HN 0.550 nan 8.150 nan 0.000 0.443 210 Y N -0.974 119.258 120.300 -0.115 0.000 2.436 210 Y HA 0.381 4.931 4.550 -0.000 0.000 0.288 210 Y C 1.608 177.398 175.900 -0.183 0.000 1.112 210 Y CA 0.104 58.131 58.100 -0.121 0.000 1.220 210 Y CB -0.514 37.892 38.460 -0.089 0.000 1.073 210 Y HN 0.524 nan 8.280 nan 0.000 0.552 211 G N 0.335 109.046 108.800 -0.150 0.000 2.690 211 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.686 211 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.686 211 G C 0.517 175.184 174.900 -0.388 0.000 1.277 211 G CA -0.020 44.914 45.100 -0.277 0.000 0.799 211 G HN 0.224 nan 8.290 nan 0.000 0.613 212 E N 0.155 120.101 120.200 -0.424 0.000 2.049 212 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 212 E C 2.385 178.943 176.600 -0.070 0.000 1.007 212 E CA 1.762 58.015 56.400 -0.244 0.000 0.809 212 E CB -0.081 29.609 29.700 -0.017 0.000 0.749 212 E HN 0.550 nan 8.360 nan 0.000 0.450 213 K N 0.446 120.809 120.400 -0.063 0.000 2.026 213 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 213 K C 2.138 178.700 176.600 -0.063 0.000 1.048 213 K CA 1.399 57.663 56.287 -0.038 0.000 0.929 213 K CB 0.075 32.553 32.500 -0.035 0.000 0.713 213 K HN -0.049 nan 8.250 nan 0.000 0.439 214 K N 0.160 120.495 120.400 -0.108 0.000 2.155 214 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 214 K C 2.286 178.751 176.600 -0.225 0.000 1.052 214 K CA 1.092 57.252 56.287 -0.211 0.000 0.948 214 K CB -0.084 32.241 32.500 -0.292 0.000 0.728 214 K HN 0.128 nan 8.250 nan 0.000 0.448 215 S N 1.281 116.941 115.700 -0.067 0.000 2.356 215 S HA -0.186 4.284 4.470 -0.000 0.000 0.223 215 S C 2.076 176.730 174.600 0.091 0.000 1.032 215 S CA 1.242 59.500 58.200 0.096 0.000 1.005 215 S CB -0.068 63.230 63.200 0.163 0.000 0.867 215 S HN 0.268 nan 8.310 nan 0.000 0.449 216 R N 0.295 120.838 120.500 0.072 0.000 2.080 216 R HA -0.042 4.298 4.340 -0.000 0.000 0.236 216 R C 2.401 178.726 176.300 0.041 0.000 1.137 216 R CA 1.894 58.040 56.100 0.076 0.000 0.943 216 R CB -0.512 29.826 30.300 0.063 0.000 0.846 216 R HN 0.466 nan 8.270 nan 0.000 0.431 217 L N 0.111 121.329 121.223 -0.008 0.000 2.083 217 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 217 L C 2.729 179.583 176.870 -0.026 0.000 1.083 217 L CA 1.500 56.328 54.840 -0.021 0.000 0.752 217 L CB -0.546 41.477 42.059 -0.060 0.000 0.899 217 L HN 0.356 nan 8.230 nan 0.000 0.433 218 S N 0.274 115.931 115.700 -0.070 0.000 2.359 218 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 218 S C 1.823 176.464 174.600 0.069 0.000 1.035 218 S CA 1.627 59.808 58.200 -0.032 0.000 1.018 218 S CB -0.215 62.968 63.200 -0.027 0.000 0.876 218 S HN 0.441 nan 8.310 nan 0.000 0.448 219 N N 1.085 119.846 118.700 0.101 0.000 2.309 219 N HA -0.039 4.701 4.740 -0.000 0.000 0.182 219 N C 1.624 177.200 175.510 0.110 0.000 1.018 219 N CA 0.945 54.070 53.050 0.126 0.000 0.876 219 N CB -0.503 38.072 38.487 0.147 0.000 0.972 219 N HN 0.409 nan 8.380 nan 0.000 0.434 220 L N 1.157 122.435 121.223 0.091 0.000 2.072 220 L HA 0.064 4.404 4.340 -0.000 0.000 0.205 220 L C 1.934 178.871 176.870 0.113 0.000 1.079 220 L CA 1.130 56.033 54.840 0.105 0.000 0.752 220 L CB -0.498 41.617 42.059 0.094 0.000 0.906 220 L HN 0.019 nan 8.230 nan 0.000 0.436 221 I N -0.397 120.215 120.570 0.070 0.000 2.142 221 I HA -0.333 3.837 4.170 -0.000 0.000 0.240 221 I C 2.455 178.602 176.117 0.049 0.000 1.078 221 I CA 1.531 62.855 61.300 0.040 0.000 1.343 221 I CB -0.349 37.660 38.000 0.014 0.000 1.046 221 I HN 0.240 nan 8.210 nan 0.000 0.405 222 K N 0.584 121.025 120.400 0.068 0.000 2.063 222 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 222 K C 2.092 178.741 176.600 0.082 0.000 1.048 222 K CA 1.347 57.675 56.287 0.069 0.000 0.928 222 K CB -0.233 32.314 32.500 0.078 0.000 0.713 222 K HN 0.281 nan 8.250 nan 0.000 0.442 223 L N 0.316 121.602 121.223 0.104 0.000 2.093 223 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 223 L C 2.545 179.478 176.870 0.104 0.000 1.085 223 L CA 0.950 55.857 54.840 0.112 0.000 0.755 223 L CB -0.503 41.620 42.059 0.107 0.000 0.904 223 L HN 0.214 nan 8.230 nan 0.000 0.435 224 A N -0.322 122.569 122.820 0.118 0.000 1.877 224 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 224 A C 2.219 179.797 177.584 -0.010 0.000 1.186 224 A CA 1.551 53.630 52.037 0.070 0.000 0.620 224 A CB -0.452 18.515 19.000 -0.054 0.000 0.822 224 A HN 0.477 nan 8.150 nan 0.000 0.443 225 Q N -0.426 119.376 119.800 0.003 0.000 2.119 225 Q HA -0.147 4.193 4.340 -0.000 0.000 0.201 225 Q C 1.944 177.968 176.000 0.040 0.000 0.972 225 Q CA 1.580 57.389 55.803 0.010 0.000 0.847 225 Q CB -0.181 28.570 28.738 0.022 0.000 0.903 225 Q HN 0.642 nan 8.270 nan 0.000 0.433 226 K N -0.035 120.408 120.400 0.072 0.000 2.217 226 K HA 0.002 4.322 4.320 -0.000 0.000 0.202 226 K C 0.127 176.793 176.600 0.109 0.000 1.051 226 K CA 0.640 57.000 56.287 0.121 0.000 0.952 226 K CB 0.676 33.304 32.500 0.214 0.000 0.736 226 K HN -0.061 nan 8.250 nan 0.000 0.453 227 V N 1.598 121.541 119.914 0.048 0.000 2.666 227 V HA 0.125 4.245 4.120 -0.000 0.000 0.261 227 V C -2.465 173.640 176.094 0.018 0.000 0.892 227 V CA -0.938 61.363 62.300 0.002 0.000 0.937 227 V CB 1.329 33.076 31.823 -0.127 0.000 1.063 227 V HN -0.052 nan 8.190 nan 0.000 0.494 228 P HA -0.043 nan 4.420 nan 0.000 0.230 228 P C 1.610 178.921 177.300 0.018 0.000 1.158 228 P CA 1.085 64.170 63.100 -0.025 0.000 0.769 228 P CB 0.194 31.863 31.700 -0.050 0.000 0.807 229 T N -0.854 113.713 114.554 0.021 0.000 2.788 229 T HA -0.023 4.327 4.350 -0.000 0.000 0.268 229 T C 1.153 175.879 174.700 0.044 0.000 1.044 229 T CA 1.043 63.156 62.100 0.022 0.000 1.139 229 T CB -0.634 68.235 68.868 0.002 0.000 0.867 229 T HN 0.119 nan 8.240 nan 0.000 0.454 230 A N 2.129 124.980 122.820 0.052 0.000 2.409 230 A HA 0.334 4.654 4.320 -0.000 0.000 0.246 230 A C 0.100 177.767 177.584 0.138 0.000 1.099 230 A CA -0.386 51.679 52.037 0.047 0.000 0.789 230 A CB 0.090 19.087 19.000 -0.005 0.000 1.053 230 A HN 0.265 nan 8.150 nan 0.000 0.503 231 D N -0.556 119.843 120.400 -0.003 0.000 2.387 231 D HA 0.302 4.942 4.640 -0.000 0.000 0.255 231 D C 1.200 177.212 176.300 -0.481 0.000 1.081 231 D CA -0.618 53.328 54.000 -0.090 0.000 0.994 231 D CB 0.812 41.554 40.800 -0.097 0.000 1.127 231 D HN 0.290 nan 8.370 nan 0.000 0.513 232 L N 0.862 121.583 121.223 -0.837 0.000 2.079 232 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 232 L C 1.579 178.126 176.870 -0.539 0.000 1.081 232 L CA 2.000 56.133 54.840 -1.178 0.000 0.752 232 L CB -0.505 41.108 42.059 -0.743 0.000 0.896 232 L HN 0.267 nan 8.230 nan 0.000 0.433 233 E N -0.029 119.978 120.200 -0.322 0.000 2.204 233 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 233 E C 1.830 178.333 176.600 -0.163 0.000 0.990 233 E CA 1.274 57.560 56.400 -0.191 0.000 0.821 233 E CB -0.300 29.322 29.700 -0.129 0.000 0.750 233 E HN 0.611 nan 8.360 nan 0.000 0.477 234 D N -0.807 119.484 120.400 -0.182 0.000 2.183 234 D HA -0.073 4.567 4.640 -0.000 0.000 0.205 234 D C 1.926 178.145 176.300 -0.136 0.000 0.962 234 D CA 1.379 55.295 54.000 -0.141 0.000 0.849 234 D CB 0.243 40.965 40.800 -0.130 0.000 0.978 234 D HN 0.280 nan 8.370 nan 0.000 0.488 235 V N -0.961 118.858 119.914 -0.160 0.000 2.949 235 V HA 0.043 4.163 4.120 -0.000 0.000 0.245 235 V C 2.318 178.374 176.094 -0.062 0.000 1.086 235 V CA 0.128 62.374 62.300 -0.091 0.000 1.097 235 V CB -0.516 31.294 31.823 -0.021 0.000 0.762 235 V HN -0.041 nan 8.190 nan 0.000 0.470 236 L N 1.630 122.782 121.223 -0.120 0.000 2.012 236 L HA 0.033 4.373 4.340 -0.000 0.000 0.210 236 L C -0.029 176.830 176.870 -0.019 0.000 1.073 236 L CA 2.626 57.426 54.840 -0.067 0.000 0.748 236 L CB -1.666 40.331 42.059 -0.104 0.000 0.891 236 L HN 0.263 nan 8.230 nan 0.000 0.431 237 P HA -0.161 nan 4.420 nan 0.000 0.218 237 P C 1.993 179.320 177.300 0.044 0.000 1.148 237 P CA 1.490 64.590 63.100 0.000 0.000 0.822 237 P CB -0.035 31.653 31.700 -0.020 0.000 0.784 238 L N -1.268 119.982 121.223 0.045 0.000 2.072 238 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 238 L C 2.498 179.493 176.870 0.207 0.000 1.079 238 L CA 1.503 56.420 54.840 0.129 0.000 0.752 238 L CB -1.335 40.761 42.059 0.063 0.000 0.906 238 L HN -0.064 nan 8.230 nan 0.000 0.436 239 A N -0.237 122.659 122.820 0.126 0.000 1.933 239 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 239 A C 2.237 179.884 177.584 0.105 0.000 1.175 239 A CA 1.320 53.429 52.037 0.120 0.000 0.628 239 A CB -0.298 18.755 19.000 0.088 0.000 0.814 239 A HN 0.370 nan 8.150 nan 0.000 0.444 240 E N -0.123 120.128 120.200 0.086 0.000 2.047 240 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 240 E C 1.704 178.353 176.600 0.081 0.000 0.987 240 E CA 1.552 57.995 56.400 0.071 0.000 0.799 240 E CB -0.382 29.348 29.700 0.049 0.000 0.752 240 E HN 0.712 nan 8.360 nan 0.000 0.449 241 D N 0.659 121.130 120.400 0.118 0.000 2.097 241 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 241 D C 1.955 178.296 176.300 0.067 0.000 0.989 241 D CA 0.569 54.652 54.000 0.139 0.000 0.827 241 D CB -0.102 40.851 40.800 0.254 0.000 0.966 241 D HN 0.045 nan 8.370 nan 0.000 0.456 242 I N 0.236 120.820 120.570 0.024 0.000 2.226 242 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 242 I C 2.036 178.108 176.117 -0.076 0.000 1.100 242 I CA 1.521 62.704 61.300 -0.195 0.000 1.374 242 I CB -0.766 37.129 38.000 -0.174 0.000 1.057 242 I HN 0.001 nan 8.210 nan 0.000 0.413 243 T N 0.725 115.292 114.554 0.021 0.000 2.720 243 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 243 T C 1.704 176.405 174.700 0.001 0.000 1.037 243 T CA 2.131 64.269 62.100 0.063 0.000 1.144 243 T CB -0.658 68.283 68.868 0.123 0.000 0.864 243 T HN 0.519 nan 8.240 nan 0.000 0.444 244 N N 0.586 119.287 118.700 0.002 0.000 2.120 244 N HA 0.005 4.745 4.740 -0.000 0.000 0.188 244 N C 1.830 177.298 175.510 -0.069 0.000 1.024 244 N CA 0.945 53.987 53.050 -0.013 0.000 0.852 244 N CB -0.267 38.225 38.487 0.009 0.000 1.003 244 N HN 0.315 nan 8.380 nan 0.000 0.424 245 I N 1.037 121.550 120.570 -0.095 0.000 2.226 245 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 245 I C 1.950 177.938 176.117 -0.215 0.000 1.100 245 I CA 1.044 62.263 61.300 -0.136 0.000 1.374 245 I CB -0.226 37.681 38.000 -0.154 0.000 1.057 245 I HN 0.154 nan 8.210 nan 0.000 0.413 246 L N 0.267 121.307 121.223 -0.306 0.000 2.056 246 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 246 L C 2.781 179.247 176.870 -0.673 0.000 1.078 246 L CA 1.692 56.205 54.840 -0.545 0.000 0.749 246 L CB -0.809 40.789 42.059 -0.767 0.000 0.901 246 L HN 0.350 nan 8.230 nan 0.000 0.433 247 S N -0.452 114.932 115.700 -0.528 0.000 2.447 247 S HA -0.221 4.249 4.470 -0.000 0.000 0.233 247 S C 1.934 176.462 174.600 -0.120 0.000 1.006 247 S CA 1.198 59.266 58.200 -0.220 0.000 0.957 247 S CB -0.210 63.028 63.200 0.062 0.000 0.773 247 S HN 0.415 nan 8.310 nan 0.000 0.507 248 K N 0.007 120.327 120.400 -0.134 0.000 2.242 248 K HA 0.166 4.486 4.320 -0.000 0.000 0.200 248 K C 1.052 177.595 176.600 -0.095 0.000 1.050 248 K CA 1.054 57.290 56.287 -0.085 0.000 0.981 248 K CB 0.016 32.477 32.500 -0.065 0.000 0.795 248 K HN 0.482 nan 8.250 nan 0.000 0.477 249 c N -0.310 118.208 118.600 -0.138 0.000 3.228 249 c HA 0.255 4.825 4.570 -0.000 0.000 0.290 249 c C 2.221 176.232 174.090 -0.132 0.000 1.301 249 c CA -0.753 55.502 56.329 -0.123 0.000 1.703 249 c CB -0.767 41.667 42.510 -0.128 0.000 2.141 249 c HN 0.588 nan 8.230 nan 0.000 0.656 250 c N 0.929 119.427 118.600 -0.170 0.000 2.419 250 c HA -0.045 4.525 4.570 -0.000 0.000 0.283 250 c C 1.021 175.068 174.090 -0.072 0.000 1.373 250 c CA 1.291 57.536 56.329 -0.140 0.000 1.781 250 c CB -1.123 41.277 42.510 -0.183 0.000 1.886 250 c HN 0.610 nan 8.230 nan 0.000 0.520 251 E N 0.439 120.605 120.200 -0.056 0.000 2.235 251 E HA 0.395 4.745 4.350 -0.000 0.000 0.252 251 E C -0.823 175.759 176.600 -0.029 0.000 0.886 251 E CA 0.199 56.582 56.400 -0.028 0.000 0.767 251 E CB 0.941 30.639 29.700 -0.003 0.000 1.205 251 E HN 0.391 nan 8.360 nan 0.000 0.421 252 S N 1.347 117.029 115.700 -0.030 0.000 2.603 252 S HA 0.643 5.113 4.470 -0.000 0.000 0.274 252 S C 0.251 174.838 174.600 -0.021 0.000 1.168 252 S CA -0.366 57.819 58.200 -0.025 0.000 0.963 252 S CB 1.532 64.713 63.200 -0.031 0.000 1.078 252 S HN 0.333 nan 8.310 nan 0.000 0.477 253 A N 2.187 124.999 122.820 -0.015 0.000 2.123 253 A HA 0.405 4.725 4.320 -0.000 0.000 0.214 253 A C 1.583 179.161 177.584 -0.010 0.000 1.152 253 A CA 1.106 53.135 52.037 -0.013 0.000 0.728 253 A CB -0.385 18.610 19.000 -0.008 0.000 0.814 253 A HN 0.866 nan 8.150 nan 0.000 0.464 254 S N -1.942 113.752 115.700 -0.009 0.000 2.917 254 S HA 0.153 4.623 4.470 -0.000 0.000 0.269 254 S C 0.025 174.619 174.600 -0.009 0.000 1.072 254 S CA -0.179 58.016 58.200 -0.008 0.000 0.967 254 S CB 0.299 63.496 63.200 -0.004 0.000 0.906 254 S HN 0.412 nan 8.310 nan 0.000 0.463 255 E N 2.755 122.948 120.200 -0.011 0.000 2.102 255 E HA 0.417 4.767 4.350 -0.000 0.000 0.263 255 E C -1.324 175.263 176.600 -0.021 0.000 0.894 255 E CA -0.496 55.896 56.400 -0.013 0.000 0.746 255 E CB 0.840 30.534 29.700 -0.009 0.000 1.129 255 E HN 0.191 nan 8.360 nan 0.000 0.416 256 D N 2.217 122.603 120.400 -0.024 0.000 2.345 256 D HA 0.055 4.695 4.640 -0.000 0.000 0.247 256 D C 0.413 176.689 176.300 -0.039 0.000 1.108 256 D CA -0.356 53.621 54.000 -0.038 0.000 0.894 256 D CB 0.716 41.489 40.800 -0.045 0.000 1.203 256 D HN 0.527 nan 8.370 nan 0.000 0.430 257 c N 2.931 121.498 118.600 -0.054 0.000 3.491 257 c HA 0.331 4.901 4.570 -0.000 0.000 0.298 257 c C 1.921 175.968 174.090 -0.072 0.000 1.424 257 c CA -0.638 55.660 56.329 -0.052 0.000 1.772 257 c CB -0.807 41.675 42.510 -0.046 0.000 2.447 257 c HN 0.580 nan 8.230 nan 0.000 0.670 258 M N 2.524 122.064 119.600 -0.100 0.000 2.117 258 M HA -0.047 4.433 4.480 -0.000 0.000 0.262 258 M C 2.516 178.747 176.300 -0.115 0.000 1.065 258 M CA 2.171 57.388 55.300 -0.140 0.000 1.114 258 M CB -1.313 31.177 32.600 -0.182 0.000 1.361 258 M HN 0.589 nan 8.290 nan 0.000 0.408 259 A N 0.135 122.909 122.820 -0.077 0.000 2.019 259 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 259 A C 2.213 179.804 177.584 0.011 0.000 1.164 259 A CA 1.551 53.584 52.037 -0.007 0.000 0.644 259 A CB -0.453 18.577 19.000 0.050 0.000 0.805 259 A HN 0.521 nan 8.150 nan 0.000 0.449 260 K N -0.622 119.771 120.400 -0.012 0.000 2.243 260 K HA 0.011 4.331 4.320 -0.000 0.000 0.201 260 K C 1.633 178.228 176.600 -0.009 0.000 1.051 260 K CA 1.090 57.374 56.287 -0.006 0.000 0.970 260 K CB 0.083 32.577 32.500 -0.010 0.000 0.755 260 K HN 0.510 nan 8.250 nan 0.000 0.465 261 E N 0.787 120.971 120.200 -0.027 0.000 2.162 261 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 261 E C 2.120 178.720 176.600 -0.000 0.000 0.953 261 E CA 0.319 56.708 56.400 -0.018 0.000 0.849 261 E CB 0.061 29.735 29.700 -0.044 0.000 0.810 261 E HN 0.176 nan 8.360 nan 0.000 0.470 262 L N 2.044 123.236 121.223 -0.051 0.000 2.042 262 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 262 L C -0.296 176.616 176.870 0.069 0.000 1.076 262 L CA 1.465 56.274 54.840 -0.051 0.000 0.749 262 L CB -1.803 40.112 42.059 -0.241 0.000 0.893 262 L HN 0.125 nan 8.230 nan 0.000 0.432 263 P HA -0.216 nan 4.420 nan 0.000 0.215 263 P C 1.279 178.629 177.300 0.083 0.000 1.157 263 P CA 1.533 64.673 63.100 0.066 0.000 0.868 263 P CB 0.076 31.797 31.700 0.034 0.000 0.788 264 E N -0.609 119.634 120.200 0.073 0.000 2.204 264 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 264 E C 2.105 178.762 176.600 0.094 0.000 0.990 264 E CA 1.104 57.543 56.400 0.066 0.000 0.821 264 E CB -1.120 28.611 29.700 0.051 0.000 0.750 264 E HN 0.311 nan 8.360 nan 0.000 0.477 265 H N -0.697 118.411 119.070 0.063 0.000 2.387 265 H HA -0.084 4.472 4.556 -0.000 0.000 0.299 265 H C 1.895 177.300 175.328 0.129 0.000 1.090 265 H CA 2.499 58.607 56.048 0.100 0.000 1.332 265 H CB -0.302 29.543 29.762 0.138 0.000 1.386 265 H HN 0.313 nan 8.280 nan 0.000 0.516 266 T N -2.440 112.186 114.554 0.119 0.000 2.867 266 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 266 T C 2.146 176.851 174.700 0.008 0.000 1.057 266 T CA 1.152 63.297 62.100 0.076 0.000 1.136 266 T CB -0.904 68.048 68.868 0.140 0.000 0.874 266 T HN 0.148 nan 8.240 nan 0.000 0.466 267 V N 1.860 121.780 119.914 0.010 0.000 2.343 267 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 267 V C 2.791 178.867 176.094 -0.030 0.000 1.051 267 V CA 1.839 64.140 62.300 0.001 0.000 1.036 267 V CB -0.603 31.225 31.823 0.008 0.000 0.654 267 V HN 0.513 nan 8.190 nan 0.000 0.451 268 K N -0.181 120.176 120.400 -0.073 0.000 2.026 268 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 268 K C 2.162 178.693 176.600 -0.116 0.000 1.048 268 K CA 1.302 57.530 56.287 -0.098 0.000 0.929 268 K CB -0.356 32.067 32.500 -0.127 0.000 0.713 268 K HN 0.326 nan 8.250 nan 0.000 0.439 269 L N 0.714 121.836 121.223 -0.168 0.000 1.990 269 L HA -0.330 4.010 4.340 -0.000 0.000 0.213 269 L C 2.693 179.582 176.870 0.031 0.000 1.072 269 L CA 1.400 56.204 54.840 -0.059 0.000 0.755 269 L CB -0.663 41.419 42.059 0.037 0.000 0.889 269 L HN 0.362 nan 8.230 nan 0.000 0.432 270 c N -0.532 118.103 118.600 0.058 0.000 2.446 270 c HA -0.144 4.426 4.570 -0.000 0.000 0.277 270 c C 2.400 176.502 174.090 0.020 0.000 1.275 270 c CA 0.305 56.680 56.329 0.078 0.000 1.727 270 c CB -0.904 41.646 42.510 0.068 0.000 2.010 270 c HN 0.551 nan 8.230 nan 0.000 0.486 271 D N 0.953 121.349 120.400 -0.007 0.000 2.116 271 D HA -0.122 4.518 4.640 -0.000 0.000 0.193 271 D C 1.814 178.091 176.300 -0.038 0.000 0.998 271 D CA 1.352 55.340 54.000 -0.020 0.000 0.836 271 D CB -0.644 40.141 40.800 -0.025 0.000 0.951 271 D HN 0.645 nan 8.370 nan 0.000 0.449 272 N N -0.644 118.019 118.700 -0.062 0.000 2.376 272 N HA 0.063 4.803 4.740 -0.000 0.000 0.177 272 N C 1.268 176.696 175.510 -0.136 0.000 1.024 272 N CA 0.310 53.305 53.050 -0.093 0.000 0.893 272 N CB 0.553 38.976 38.487 -0.107 0.000 0.980 272 N HN 0.155 nan 8.380 nan 0.000 0.439 273 L N -0.956 120.162 121.223 -0.174 0.000 2.920 273 L HA 0.238 4.578 4.340 -0.000 0.000 0.257 273 L C 1.994 178.788 176.870 -0.126 0.000 1.150 273 L CA -0.041 54.617 54.840 -0.303 0.000 0.959 273 L CB 0.276 41.823 42.059 -0.853 0.000 1.321 273 L HN -0.022 nan 8.230 nan 0.000 0.555 274 S N 0.902 116.608 115.700 0.009 0.000 2.365 274 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 274 S C 2.041 176.672 174.600 0.052 0.000 1.039 274 S CA 2.644 60.896 58.200 0.085 0.000 1.033 274 S CB -0.124 63.113 63.200 0.062 0.000 0.887 274 S HN 0.627 nan 8.310 nan 0.000 0.447 275 T N -1.806 112.754 114.554 0.009 0.000 3.065 275 T HA 0.259 4.609 4.350 -0.000 0.000 0.252 275 T C 1.425 176.121 174.700 -0.006 0.000 1.099 275 T CA -0.021 62.083 62.100 0.006 0.000 1.063 275 T CB -0.022 68.845 68.868 -0.003 0.000 0.948 275 T HN 0.188 nan 8.240 nan 0.000 0.506 276 K N 1.610 121.990 120.400 -0.034 0.000 2.365 276 K HA 0.196 4.516 4.320 -0.000 0.000 0.197 276 K C 0.548 177.134 176.600 -0.023 0.000 1.042 276 K CA 0.206 56.465 56.287 -0.046 0.000 0.987 276 K CB -0.013 32.427 32.500 -0.099 0.000 0.779 276 K HN 0.450 nan 8.250 nan 0.000 0.484 277 N N -0.213 118.495 118.700 0.014 0.000 2.406 277 N HA -0.011 4.729 4.740 -0.000 0.000 0.283 277 N C 0.174 175.752 175.510 0.112 0.000 1.074 277 N CA 0.046 53.138 53.050 0.069 0.000 0.916 277 N CB 1.993 40.540 38.487 0.101 0.000 1.639 277 N HN -0.202 nan 8.380 nan 0.000 0.485 278 S N 2.790 118.539 115.700 0.081 0.000 2.359 278 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 278 S C 1.381 176.030 174.600 0.082 0.000 1.035 278 S CA 1.395 59.637 58.200 0.069 0.000 1.018 278 S CB 0.003 63.230 63.200 0.045 0.000 0.876 278 S HN 0.636 nan 8.310 nan 0.000 0.448 279 K N -0.672 119.784 120.400 0.094 0.000 2.147 279 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 279 K C 1.763 178.394 176.600 0.051 0.000 1.049 279 K CA 1.237 57.562 56.287 0.064 0.000 0.936 279 K CB -0.326 32.209 32.500 0.058 0.000 0.722 279 K HN 0.412 nan 8.250 nan 0.000 0.446 280 F N 1.793 121.743 119.950 0.001 0.000 2.259 280 F HA -0.146 4.381 4.527 0.001 0.000 0.298 280 F C 2.512 178.310 175.800 -0.004 0.000 1.088 280 F CA 1.204 59.201 58.000 -0.005 0.000 1.358 280 F CB -0.014 38.981 39.000 -0.009 0.000 1.040 280 F HN 0.021 nan 8.300 nan 0.000 0.505 281 E N 0.775 121.079 120.200 0.174 0.000 2.058 281 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 281 E C 1.777 178.406 176.600 0.047 0.000 0.997 281 E CA 2.112 58.570 56.400 0.098 0.000 0.801 281 E CB -0.464 29.279 29.700 0.072 0.000 0.746 281 E HN 0.320 nan 8.360 nan 0.000 0.450 282 D N -0.351 120.065 120.400 0.027 0.000 2.117 282 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 282 D C 2.137 178.423 176.300 -0.023 0.000 0.987 282 D CA 1.319 55.320 54.000 0.003 0.000 0.829 282 D CB -0.612 40.187 40.800 -0.000 0.000 0.961 282 D HN 0.289 nan 8.370 nan 0.000 0.460 283 c N 0.687 119.245 118.600 -0.071 0.000 2.413 283 c HA -0.155 4.415 4.570 -0.000 0.000 0.276 283 c C 2.950 177.001 174.090 -0.064 0.000 1.248 283 c CA 0.303 56.559 56.329 -0.121 0.000 1.742 283 c CB -0.902 41.423 42.510 -0.309 0.000 2.017 283 c HN 0.445 nan 8.230 nan 0.000 0.481 284 c N 0.530 119.115 118.600 -0.024 0.000 2.485 284 c HA -0.039 4.531 4.570 -0.000 0.000 0.283 284 c C 2.376 176.475 174.090 0.015 0.000 1.478 284 c CA 0.685 57.024 56.329 0.016 0.000 1.741 284 c CB -1.470 41.078 42.510 0.063 0.000 1.675 284 c HN 0.631 nan 8.230 nan 0.000 0.573 285 Q N 0.633 120.438 119.800 0.008 0.000 2.384 285 Q HA 0.138 4.478 4.340 -0.000 0.000 0.207 285 Q C 0.644 176.648 176.000 0.007 0.000 0.904 285 Q CA 0.292 56.101 55.803 0.010 0.000 0.933 285 Q CB 0.045 28.789 28.738 0.010 0.000 1.077 285 Q HN 0.738 nan 8.270 nan 0.000 0.522 286 E N 1.168 121.369 120.200 0.002 0.000 2.422 286 E HA -0.044 4.306 4.350 -0.000 0.000 0.260 286 E C 0.750 177.355 176.600 0.009 0.000 1.108 286 E CA -0.058 56.345 56.400 0.005 0.000 0.943 286 E CB 0.773 30.474 29.700 0.001 0.000 0.961 286 E HN -0.006 nan 8.360 nan 0.000 0.443 287 K N 0.651 121.058 120.400 0.011 0.000 2.063 287 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 287 K C 0.907 177.512 176.600 0.009 0.000 1.048 287 K CA 1.635 57.928 56.287 0.010 0.000 0.928 287 K CB 0.071 32.578 32.500 0.010 0.000 0.713 287 K HN 0.631 nan 8.250 nan 0.000 0.442 288 T N -4.783 109.781 114.554 0.015 0.000 2.930 288 T HA 0.574 4.924 4.350 -0.000 0.000 0.290 288 T C 0.832 175.551 174.700 0.033 0.000 1.052 288 T CA -0.484 61.626 62.100 0.017 0.000 1.017 288 T CB 1.805 70.684 68.868 0.019 0.000 1.137 288 T HN 0.029 nan 8.240 nan 0.000 0.511 289 A N 1.130 123.973 122.820 0.038 0.000 1.933 289 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 289 A C 2.206 179.849 177.584 0.098 0.000 1.175 289 A CA 1.944 54.021 52.037 0.067 0.000 0.628 289 A CB -1.008 18.030 19.000 0.062 0.000 0.814 289 A HN 0.878 nan 8.150 nan 0.000 0.444 290 M N 0.268 119.914 119.600 0.077 0.000 2.080 290 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 290 M C 1.149 177.492 176.300 0.071 0.000 1.068 290 M CA 2.165 57.505 55.300 0.066 0.000 1.109 290 M CB -0.474 32.163 32.600 0.061 0.000 1.342 290 M HN 0.373 nan 8.290 nan 0.000 0.405 291 D N -0.791 119.639 120.400 0.049 0.000 2.144 291 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 291 D C 2.140 178.449 176.300 0.014 0.000 0.978 291 D CA 1.424 55.441 54.000 0.027 0.000 0.833 291 D CB -0.475 40.338 40.800 0.023 0.000 0.961 291 D HN 0.288 nan 8.370 nan 0.000 0.470 292 V N 0.752 120.684 119.914 0.031 0.000 2.358 292 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 292 V C 2.133 178.217 176.094 -0.015 0.000 1.047 292 V CA 1.176 63.475 62.300 -0.002 0.000 1.035 292 V CB -0.535 31.305 31.823 0.029 0.000 0.658 292 V HN 0.062 nan 8.190 nan 0.000 0.452 293 F N 0.637 120.555 119.950 -0.053 0.000 2.075 293 F HA -0.167 4.359 4.527 -0.001 0.000 0.297 293 F C 2.299 178.031 175.800 -0.113 0.000 1.113 293 F CA 1.883 59.855 58.000 -0.046 0.000 1.218 293 F CB -0.374 38.603 39.000 -0.038 0.000 0.984 293 F HN -0.075 nan 8.300 nan 0.000 0.472 294 V N -0.526 119.432 119.914 0.073 0.000 2.287 294 V HA -0.390 3.730 4.120 -0.000 0.000 0.248 294 V C 2.777 178.687 176.094 -0.307 0.000 1.053 294 V CA 1.929 64.106 62.300 -0.204 0.000 1.027 294 V CB -1.145 30.550 31.823 -0.213 0.000 0.646 294 V HN 0.737 nan 8.190 nan 0.000 0.447 295 c N 0.908 119.409 118.600 -0.166 0.000 2.413 295 c HA -0.194 4.376 4.570 -0.000 0.000 0.276 295 c C 3.236 177.198 174.090 -0.214 0.000 1.248 295 c CA 2.162 58.412 56.329 -0.132 0.000 1.742 295 c CB -1.236 41.203 42.510 -0.119 0.000 2.017 295 c HN 0.788 nan 8.230 nan 0.000 0.481 296 T N -2.359 111.996 114.554 -0.331 0.000 2.904 296 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 296 T C 1.708 176.261 174.700 -0.244 0.000 1.059 296 T CA 1.598 63.432 62.100 -0.443 0.000 1.137 296 T CB -0.830 67.723 68.868 -0.526 0.000 0.879 296 T HN 0.673 nan 8.240 nan 0.000 0.467 297 Y N 1.453 121.516 120.300 -0.396 0.000 2.145 297 Y HA 0.086 4.636 4.550 -0.000 0.000 0.286 297 Y C 1.798 177.683 175.900 -0.024 0.000 1.145 297 Y CA 0.747 58.676 58.100 -0.285 0.000 1.148 297 Y CB -0.603 37.618 38.460 -0.398 0.000 0.981 297 Y HN 0.306 nan 8.280 nan 0.000 0.507 298 F N -0.472 119.430 119.950 -0.080 0.000 2.699 298 F HA -0.053 4.474 4.527 -0.001 0.000 0.298 298 F C 1.204 176.925 175.800 -0.131 0.000 1.154 298 F CA -0.416 57.508 58.000 -0.128 0.000 1.457 298 F CB -0.133 38.861 39.000 -0.010 0.000 1.106 298 F HN -0.017 nan 8.300 nan 0.000 0.585 299 M N 2.422 122.042 119.600 0.032 0.000 2.303 299 M HA 0.093 4.573 4.480 -0.000 0.000 0.350 299 M C -2.264 174.039 176.300 0.004 0.000 1.518 299 M CA -1.585 53.714 55.300 -0.001 0.000 1.070 299 M CB 0.525 33.092 32.600 -0.055 0.000 1.910 299 M HN -0.260 nan 8.290 nan 0.000 0.458 300 P HA 0.211 nan 4.420 nan 0.000 0.276 300 P C -1.419 175.903 177.300 0.036 0.000 1.261 300 P CA -0.532 62.577 63.100 0.016 0.000 0.800 300 P CB 0.494 32.202 31.700 0.014 0.000 1.066 301 A N 0.882 123.729 122.820 0.045 0.000 2.522 301 A HA 0.450 4.770 4.320 -0.000 0.000 0.256 301 A C 0.619 178.238 177.584 0.059 0.000 1.086 301 A CA 0.063 52.135 52.037 0.058 0.000 0.763 301 A CB -1.031 18.013 19.000 0.073 0.000 1.024 301 A HN 0.582 nan 8.150 nan 0.000 0.502 302 A N 2.454 125.305 122.820 0.052 0.000 2.296 302 A HA 0.453 4.773 4.320 -0.000 0.000 0.264 302 A C 0.642 178.239 177.584 0.022 0.000 1.097 302 A CA -0.327 51.733 52.037 0.037 0.000 0.811 302 A CB 0.091 19.116 19.000 0.042 0.000 1.072 302 A HN 0.940 nan 8.150 nan 0.000 0.495 303 Q N 0.113 119.912 119.800 -0.001 0.000 2.300 303 Q HA 0.271 4.611 4.340 -0.000 0.000 0.280 303 Q C -1.080 174.906 176.000 -0.024 0.000 1.033 303 Q CA 0.190 55.975 55.803 -0.031 0.000 0.903 303 Q CB 0.079 28.793 28.738 -0.040 0.000 1.195 303 Q HN 0.582 nan 8.270 nan 0.000 0.386 304 L N 6.314 127.516 121.223 -0.034 0.000 2.326 304 L HA 0.234 4.574 4.340 -0.000 0.000 0.278 304 L C -1.526 175.323 176.870 -0.036 0.000 1.092 304 L CA -1.879 52.943 54.840 -0.030 0.000 0.810 304 L CB 0.729 42.777 42.059 -0.019 0.000 1.153 304 L HN 0.665 nan 8.230 nan 0.000 0.439 305 P HA -0.068 nan 4.420 nan 0.000 0.225 305 P C 0.199 177.482 177.300 -0.028 0.000 1.148 305 P CA 1.096 64.180 63.100 -0.028 0.000 0.779 305 P CB 0.137 31.823 31.700 -0.023 0.000 0.780 306 E N -1.448 118.733 120.200 -0.032 0.000 2.937 306 E HA -0.167 4.183 4.350 -0.000 0.000 0.152 306 E C -0.279 176.308 176.600 -0.023 0.000 1.769 306 E CA 0.591 56.975 56.400 -0.027 0.000 0.688 306 E CB -2.614 nan 29.700 nan 0.000 1.091 306 E HN 0.140 nan 8.360 nan 0.000 0.362 307 L N 0.899 122.106 121.223 -0.027 0.000 2.657 307 L HA 0.833 5.173 4.340 -0.000 0.000 0.240 307 L C -1.435 175.426 176.870 -0.014 0.000 1.151 307 L CA -1.879 52.949 54.840 -0.020 0.000 0.831 307 L CB 0.044 42.088 42.059 -0.025 0.000 1.539 307 L HN 0.388 nan 8.230 nan 0.000 0.511 308 P HA 0.064 nan 4.420 nan 0.000 0.272 308 P C -0.854 176.447 177.300 0.002 0.000 1.230 308 P CA -0.377 62.723 63.100 0.000 0.000 0.788 308 P CB 0.312 32.016 31.700 0.005 0.000 0.949 309 D N -0.030 120.376 120.400 0.010 0.000 2.362 309 D HA 0.099 4.739 4.640 -0.000 0.000 0.238 309 D C -0.826 175.493 176.300 0.031 0.000 1.212 309 D CA 0.408 54.419 54.000 0.019 0.000 0.902 309 D CB 0.616 41.432 40.800 0.026 0.000 1.180 309 D HN -0.098 nan 8.370 nan 0.000 0.445 310 V N 2.902 122.849 119.914 0.055 0.000 2.531 310 V HA 0.196 4.316 4.120 -0.000 0.000 0.301 310 V C 0.094 176.289 176.094 0.168 0.000 1.034 310 V CA -0.919 61.443 62.300 0.102 0.000 0.865 310 V CB 1.851 33.733 31.823 0.097 0.000 0.995 310 V HN 0.420 nan 8.190 nan 0.000 0.424 311 E N 3.031 123.301 120.200 0.117 0.000 2.349 311 E HA 0.455 4.805 4.350 -0.000 0.000 0.265 311 E C -0.179 176.413 176.600 -0.013 0.000 1.064 311 E CA -0.545 55.891 56.400 0.060 0.000 0.886 311 E CB 1.521 31.220 29.700 -0.001 0.000 1.036 311 E HN 0.497 nan 8.360 nan 0.000 0.413 312 L N 2.865 123.992 121.223 -0.160 0.000 2.506 312 L HA 0.016 4.356 4.340 -0.000 0.000 0.281 312 L C -1.663 174.928 176.870 -0.466 0.000 1.228 312 L CA -1.243 53.286 54.840 -0.518 0.000 0.850 312 L CB -0.124 41.748 42.059 -0.311 0.000 1.110 312 L HN 0.221 nan 8.230 nan 0.000 0.496 313 P HA 0.037 nan 4.420 nan 0.000 0.226 313 P C 0.040 177.082 177.300 -0.429 0.000 1.783 313 P CA -0.293 62.575 63.100 -0.387 0.000 0.980 313 P CB -0.632 30.884 31.700 -0.307 0.000 1.967 314 T N -0.990 113.279 114.554 -0.476 0.000 4.320 314 T HA 0.131 4.481 4.350 -0.000 0.000 0.221 314 T C 0.295 174.180 174.700 -1.357 0.000 0.896 314 T CA -0.682 60.922 62.100 -0.826 0.000 0.928 314 T CB -1.153 67.483 68.868 -0.387 0.000 1.369 314 T HN 0.310 nan 8.240 nan 0.000 0.836 315 N N -0.304 117.664 118.700 -1.220 0.000 2.329 315 N HA 0.283 5.023 4.740 -0.000 0.000 0.282 315 N C 0.326 175.611 175.510 -0.376 0.000 1.198 315 N CA -0.988 51.598 53.050 -0.772 0.000 0.790 315 N CB 1.981 40.265 38.487 -0.338 0.000 1.579 315 N HN -0.079 nan 8.380 nan 0.000 0.475 316 K N 0.288 120.691 120.400 0.005 0.000 2.362 316 K HA -0.140 4.180 4.320 -0.000 0.000 0.202 316 K C 0.555 177.199 176.600 0.074 0.000 1.045 316 K CA 1.480 57.871 56.287 0.174 0.000 0.936 316 K CB -0.246 32.339 32.500 0.141 0.000 0.747 316 K HN 0.461 nan 8.250 nan 0.000 0.467 317 D N -0.752 119.648 120.400 -0.001 0.000 2.310 317 D HA -0.102 4.538 4.640 -0.000 0.000 0.212 317 D C 1.407 177.712 176.300 0.009 0.000 0.965 317 D CA 1.194 55.194 54.000 -0.001 0.000 0.879 317 D CB 0.108 40.895 40.800 -0.022 0.000 0.921 317 D HN 0.241 nan 8.370 nan 0.000 0.510 318 V N -1.942 117.979 119.914 0.011 0.000 3.573 318 V HA -0.035 4.085 4.120 -0.000 0.000 0.270 318 V C 1.850 177.980 176.094 0.060 0.000 1.221 318 V CA 0.418 62.734 62.300 0.028 0.000 1.163 318 V CB -0.942 30.892 31.823 0.018 0.000 0.847 318 V HN 0.117 nan 8.190 nan 0.000 0.468 319 c N 0.383 119.029 118.600 0.077 0.000 2.618 319 c HA 0.195 4.765 4.570 -0.000 0.000 0.264 319 c C 0.787 174.901 174.090 0.039 0.000 1.334 319 c CA -0.723 55.647 56.329 0.067 0.000 1.731 319 c CB -1.314 41.245 42.510 0.082 0.000 1.852 319 c HN 0.517 nan 8.230 nan 0.000 0.566 320 D N 3.370 123.789 120.400 0.033 0.000 2.368 320 D HA 0.027 4.667 4.640 -0.000 0.000 0.268 320 D C -1.096 175.215 176.300 0.019 0.000 1.298 320 D CA -0.459 53.555 54.000 0.022 0.000 0.938 320 D CB 0.652 41.463 40.800 0.018 0.000 1.101 320 D HN 0.337 nan 8.370 nan 0.000 0.509 321 P HA -0.084 nan 4.420 nan 0.000 0.222 321 P C 1.360 178.667 177.300 0.012 0.000 1.153 321 P CA 0.580 63.688 63.100 0.013 0.000 0.798 321 P CB 0.419 32.125 31.700 0.010 0.000 0.796 322 G N 0.084 108.891 108.800 0.012 0.000 2.421 322 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 322 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 322 G C 0.655 175.561 174.900 0.011 0.000 1.143 322 G CA 0.341 45.447 45.100 0.011 0.000 0.784 322 G HN 0.504 nan 8.290 nan 0.000 0.541 323 N N -1.968 116.739 118.700 0.012 0.000 2.509 323 N HA 0.488 5.228 4.740 -0.000 0.000 0.280 323 N C -0.096 175.424 175.510 0.016 0.000 1.306 323 N CA -0.036 53.021 53.050 0.013 0.000 0.782 323 N CB 1.555 40.047 38.487 0.010 0.000 1.493 323 N HN -0.105 nan 8.380 nan 0.000 0.498 324 T N -4.252 110.313 114.554 0.017 0.000 3.275 324 T HA 0.230 4.580 4.350 -0.000 0.000 0.298 324 T C 1.012 175.728 174.700 0.026 0.000 0.988 324 T CA -0.372 61.742 62.100 0.024 0.000 0.936 324 T CB -0.011 68.873 68.868 0.025 0.000 1.159 324 T HN 0.405 nan 8.240 nan 0.000 0.519 325 K N 2.016 122.426 120.400 0.018 0.000 2.089 325 K HA -0.062 4.258 4.320 -0.000 0.000 0.210 325 K C 1.846 178.463 176.600 0.029 0.000 1.048 325 K CA 1.757 58.053 56.287 0.014 0.000 0.926 325 K CB -1.085 31.418 32.500 0.004 0.000 0.714 325 K HN 0.330 nan 8.250 nan 0.000 0.448 326 V N 0.520 120.451 119.914 0.029 0.000 2.307 326 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 326 V C 2.328 178.467 176.094 0.076 0.000 1.045 326 V CA 2.086 64.409 62.300 0.038 0.000 1.024 326 V CB -0.398 31.430 31.823 0.008 0.000 0.651 326 V HN 0.358 nan 8.190 nan 0.000 0.449 327 M N -0.297 119.344 119.600 0.069 0.000 2.159 327 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 327 M C 1.898 178.280 176.300 0.136 0.000 1.063 327 M CA 1.668 57.032 55.300 0.107 0.000 1.110 327 M CB -0.678 31.964 32.600 0.071 0.000 1.374 327 M HN 0.352 nan 8.290 nan 0.000 0.411 328 D N 0.426 120.881 120.400 0.092 0.000 2.117 328 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 328 D C 1.843 178.218 176.300 0.125 0.000 0.982 328 D CA 1.140 55.192 54.000 0.087 0.000 0.828 328 D CB -0.301 40.526 40.800 0.045 0.000 0.967 328 D HN 0.330 nan 8.370 nan 0.000 0.464 329 K N -0.339 120.133 120.400 0.120 0.000 2.057 329 K HA -0.207 4.113 4.320 -0.000 0.000 0.207 329 K C 2.246 178.973 176.600 0.213 0.000 1.049 329 K CA 0.871 57.252 56.287 0.156 0.000 0.931 329 K CB -0.199 32.367 32.500 0.109 0.000 0.714 329 K HN 0.080 nan 8.250 nan 0.000 0.440 330 Y N 1.681 122.024 120.300 0.071 0.000 2.145 330 Y HA -0.196 4.354 4.550 0.000 0.000 0.286 330 Y C 2.136 178.064 175.900 0.048 0.000 1.145 330 Y CA 2.188 60.314 58.100 0.044 0.000 1.148 330 Y CB -0.691 37.776 38.460 0.011 0.000 0.981 330 Y HN 0.045 nan 8.280 nan 0.000 0.507 331 T N 1.092 115.608 114.554 -0.063 0.000 2.684 331 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 331 T C 1.581 176.218 174.700 -0.106 0.000 1.036 331 T CA 1.774 63.791 62.100 -0.139 0.000 1.148 331 T CB -0.875 68.001 68.868 0.015 0.000 0.863 331 T HN 0.467 nan 8.240 nan 0.000 0.436 332 F N 1.878 121.764 119.950 -0.107 0.000 2.075 332 F HA -0.075 4.451 4.527 -0.000 0.000 0.297 332 F C 2.317 178.055 175.800 -0.103 0.000 1.113 332 F CA 1.495 59.447 58.000 -0.080 0.000 1.218 332 F CB -0.368 38.606 39.000 -0.043 0.000 0.984 332 F HN 0.149 nan 8.300 nan 0.000 0.472 333 E N -0.000 120.085 120.200 -0.191 0.000 2.110 333 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 333 E C 2.079 178.482 176.600 -0.329 0.000 0.988 333 E CA 1.247 57.483 56.400 -0.275 0.000 0.804 333 E CB -0.364 29.316 29.700 -0.033 0.000 0.745 333 E HN 0.408 nan 8.360 nan 0.000 0.458 334 L N 0.534 121.509 121.223 -0.414 0.000 2.056 334 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 334 L C 2.091 178.797 176.870 -0.274 0.000 1.078 334 L CA 1.662 56.263 54.840 -0.398 0.000 0.749 334 L CB -0.295 41.380 42.059 -0.640 0.000 0.901 334 L HN -0.069 nan 8.230 nan 0.000 0.433 335 S N 0.186 115.714 115.700 -0.287 0.000 2.368 335 S HA -0.179 4.291 4.470 -0.000 0.000 0.224 335 S C 1.697 176.163 174.600 -0.224 0.000 1.029 335 S CA 1.458 59.530 58.200 -0.213 0.000 0.988 335 S CB -0.449 62.643 63.200 -0.180 0.000 0.838 335 S HN 0.635 nan 8.310 nan 0.000 0.462 336 R N 0.970 121.253 120.500 -0.361 0.000 2.325 336 R HA 0.251 4.591 4.340 -0.000 0.000 0.214 336 R C 1.530 177.716 176.300 -0.189 0.000 0.961 336 R CA 0.574 56.492 56.100 -0.302 0.000 1.086 336 R CB -0.030 29.983 30.300 -0.477 0.000 1.037 336 R HN 0.172 nan 8.270 nan 0.000 0.493 337 R N -0.318 120.088 120.500 -0.155 0.000 2.576 337 R HA 0.168 4.508 4.340 -0.000 0.000 0.237 337 R C -0.689 175.583 176.300 -0.047 0.000 0.917 337 R CA 0.521 56.566 56.100 -0.092 0.000 1.002 337 R CB 0.385 30.628 30.300 -0.095 0.000 1.428 337 R HN 0.051 nan 8.270 nan 0.000 0.603 338 T N 1.430 115.953 114.554 -0.052 0.000 2.756 338 T HA 0.162 4.512 4.350 -0.000 0.000 0.290 338 T C -1.304 173.406 174.700 0.017 0.000 0.985 338 T CA -0.369 61.723 62.100 -0.013 0.000 0.955 338 T CB 0.774 69.626 68.868 -0.027 0.000 0.930 338 T HN 0.218 nan 8.240 nan 0.000 0.451 339 H N 4.068 123.112 119.070 -0.044 0.000 3.205 339 H HA 0.564 5.120 4.556 -0.000 0.000 0.262 339 H C -0.814 174.480 175.328 -0.056 0.000 1.333 339 H CA -0.546 55.477 56.048 -0.042 0.000 1.499 339 H CB -0.486 29.255 29.762 -0.035 0.000 1.609 339 H HN 0.331 nan 8.280 nan 0.000 0.498 340 L N 6.280 127.307 121.223 -0.328 0.000 2.556 340 L HA 0.490 4.830 4.340 -0.000 0.000 0.257 340 L C -2.755 173.996 176.870 -0.198 0.000 0.955 340 L CA -2.014 52.627 54.840 -0.331 0.000 0.850 340 L CB 2.210 44.180 42.059 -0.148 0.000 1.398 340 L HN 0.396 nan 8.230 nan 0.000 0.412 341 P HA 0.204 nan 4.420 nan 0.000 0.272 341 P C -0.201 177.188 177.300 0.149 0.000 1.223 341 P CA -0.185 62.932 63.100 0.028 0.000 0.784 341 P CB 0.610 32.380 31.700 0.116 0.000 0.923 342 E N 1.817 122.086 120.200 0.116 0.000 2.153 342 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 342 E C 1.318 178.027 176.600 0.182 0.000 0.988 342 E CA 1.793 58.267 56.400 0.124 0.000 0.811 342 E CB -1.546 28.213 29.700 0.098 0.000 0.746 342 E HN 0.200 nan 8.360 nan 0.000 0.466 343 V N -1.618 118.423 119.914 0.213 0.000 2.490 343 V HA -0.182 3.938 4.120 -0.000 0.000 0.250 343 V C 2.122 178.333 176.094 0.194 0.000 1.061 343 V CA 1.691 64.111 62.300 0.199 0.000 1.064 343 V CB -0.968 30.919 31.823 0.106 0.000 0.670 343 V HN 0.138 nan 8.190 nan 0.000 0.461 344 F N 0.272 120.318 119.950 0.161 0.000 2.128 344 F HA 0.130 4.657 4.527 -0.000 0.000 0.295 344 F C 2.246 178.206 175.800 0.266 0.000 1.100 344 F CA 1.648 59.823 58.000 0.292 0.000 1.260 344 F CB -0.519 38.625 39.000 0.240 0.000 1.009 344 F HN 0.033 nan 8.300 nan 0.000 0.476 345 L N -0.864 120.561 121.223 0.336 0.000 1.989 345 L HA -0.276 4.064 4.340 -0.000 0.000 0.211 345 L C 2.519 179.408 176.870 0.031 0.000 1.071 345 L CA 1.561 56.487 54.840 0.143 0.000 0.749 345 L CB -0.877 41.224 42.059 0.070 0.000 0.890 345 L HN 0.056 nan 8.230 nan 0.000 0.431 346 S N -0.636 115.074 115.700 0.016 0.000 2.383 346 S HA -0.247 4.223 4.470 -0.000 0.000 0.229 346 S C 1.942 176.489 174.600 -0.089 0.000 1.030 346 S CA 1.507 59.645 58.200 -0.102 0.000 1.002 346 S CB -0.191 62.875 63.200 -0.222 0.000 0.829 346 S HN 0.309 nan 8.310 nan 0.000 0.467 347 K N 0.681 121.077 120.400 -0.006 0.000 2.026 347 K HA -0.028 4.292 4.320 -0.000 0.000 0.208 347 K C 2.005 178.489 176.600 -0.192 0.000 1.048 347 K CA 1.255 57.525 56.287 -0.029 0.000 0.929 347 K CB -0.291 32.257 32.500 0.079 0.000 0.713 347 K HN 0.214 nan 8.250 nan 0.000 0.439 348 V N 1.017 120.700 119.914 -0.385 0.000 2.788 348 V HA -0.058 4.062 4.120 -0.000 0.000 0.251 348 V C 1.879 177.811 176.094 -0.271 0.000 1.068 348 V CA 0.836 62.773 62.300 -0.605 0.000 1.090 348 V CB -0.094 30.996 31.823 -1.222 0.000 0.710 348 V HN 0.321 nan 8.190 nan 0.000 0.467 349 L N 0.112 121.244 121.223 -0.152 0.000 2.046 349 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 349 L C 2.517 179.355 176.870 -0.054 0.000 1.077 349 L CA 2.267 57.074 54.840 -0.056 0.000 0.747 349 L CB -0.535 41.505 42.059 -0.031 0.000 0.896 349 L HN 0.481 nan 8.230 nan 0.000 0.432 350 E N 0.455 120.606 120.200 -0.082 0.000 2.033 350 E HA -0.244 4.106 4.350 -0.000 0.000 0.199 350 E C -0.573 175.995 176.600 -0.054 0.000 1.011 350 E CA 1.955 58.315 56.400 -0.067 0.000 0.815 350 E CB -0.637 29.018 29.700 -0.075 0.000 0.755 350 E HN 0.307 nan 8.360 nan 0.000 0.451 351 P HA -0.052 nan 4.420 nan 0.000 0.217 351 P C 1.203 178.476 177.300 -0.044 0.000 1.151 351 P CA 1.490 64.557 63.100 -0.055 0.000 0.828 351 P CB -0.025 31.634 31.700 -0.068 0.000 0.788 352 T N 0.120 114.642 114.554 -0.054 0.000 2.674 352 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 352 T C 1.763 176.454 174.700 -0.015 0.000 1.039 352 T CA 1.174 63.255 62.100 -0.032 0.000 1.150 352 T CB -0.992 67.862 68.868 -0.023 0.000 0.864 352 T HN 0.036 nan 8.240 nan 0.000 0.427 353 L N 0.842 122.063 121.223 -0.005 0.000 2.083 353 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 353 L C 2.706 179.578 176.870 0.004 0.000 1.083 353 L CA 1.361 56.202 54.840 0.003 0.000 0.752 353 L CB -0.528 41.544 42.059 0.022 0.000 0.899 353 L HN 0.264 nan 8.230 nan 0.000 0.433 354 K N -0.180 120.216 120.400 -0.006 0.000 2.097 354 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 354 K C 2.365 178.962 176.600 -0.005 0.000 1.049 354 K CA 1.700 57.983 56.287 -0.007 0.000 0.933 354 K CB -0.063 32.427 32.500 -0.016 0.000 0.717 354 K HN 0.103 nan 8.250 nan 0.000 0.442 355 S N 0.724 116.420 115.700 -0.006 0.000 2.356 355 S HA -0.099 4.371 4.470 -0.000 0.000 0.223 355 S C 1.977 176.583 174.600 0.011 0.000 1.032 355 S CA 1.098 59.296 58.200 -0.005 0.000 1.005 355 S CB -0.291 62.906 63.200 -0.005 0.000 0.867 355 S HN 0.379 nan 8.310 nan 0.000 0.449 356 L N 0.917 122.163 121.223 0.037 0.000 2.013 356 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 356 L C 2.823 179.759 176.870 0.111 0.000 1.073 356 L CA 1.398 56.308 54.840 0.117 0.000 0.753 356 L CB -1.208 40.912 42.059 0.102 0.000 0.890 356 L HN 0.525 nan 8.230 nan 0.000 0.432 357 G N -0.442 108.395 108.800 0.061 0.000 2.517 357 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.222 357 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.222 357 G C 1.272 176.161 174.900 -0.018 0.000 1.109 357 G CA 0.718 45.839 45.100 0.036 0.000 0.746 357 G HN 0.509 nan 8.290 nan 0.000 0.576 358 E N -0.876 119.300 120.200 -0.039 0.000 2.478 358 E HA -0.012 4.337 4.350 -0.000 0.000 0.198 358 E C 1.592 178.105 176.600 -0.145 0.000 1.046 358 E CA 0.065 56.421 56.400 -0.073 0.000 0.870 358 E CB -0.060 29.605 29.700 -0.058 0.000 0.818 358 E HN 0.422 nan 8.360 nan 0.000 0.527 359 c N -0.311 118.144 118.600 -0.241 0.000 2.791 359 c HA 0.127 4.697 4.570 -0.000 0.000 0.270 359 c C 2.268 176.077 174.090 -0.469 0.000 1.257 359 c CA -0.516 55.508 56.329 -0.509 0.000 1.699 359 c CB -1.026 40.812 42.510 -1.121 0.000 1.904 359 c HN 0.618 nan 8.230 nan 0.000 0.603 360 c N -0.256 118.215 118.600 -0.214 0.000 2.631 360 c HA -0.018 4.552 4.570 -0.000 0.000 0.283 360 c C 1.561 175.603 174.090 -0.079 0.000 1.295 360 c CA 1.028 57.299 56.329 -0.096 0.000 1.697 360 c CB -0.891 41.614 42.510 -0.009 0.000 2.128 360 c HN 0.545 nan 8.230 nan 0.000 0.503 361 D N 1.205 121.565 120.400 -0.067 0.000 2.994 361 D HA 0.263 4.903 4.640 -0.000 0.000 0.240 361 D C -0.086 176.177 176.300 -0.062 0.000 1.195 361 D CA 0.213 54.182 54.000 -0.051 0.000 0.957 361 D CB -0.213 40.566 40.800 -0.036 0.000 1.105 361 D HN 0.370 nan 8.370 nan 0.000 0.477 362 V N -1.823 118.043 119.914 -0.080 0.000 3.102 362 V HA 0.460 4.580 4.120 -0.000 0.000 0.312 362 V C 1.279 177.334 176.094 -0.064 0.000 1.135 362 V CA -0.849 61.403 62.300 -0.079 0.000 1.022 362 V CB 1.884 33.639 31.823 -0.113 0.000 1.056 362 V HN 0.163 nan 8.190 nan 0.000 0.436 363 E N 0.398 120.567 120.200 -0.051 0.000 2.150 363 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 363 E C 0.009 176.586 176.600 -0.038 0.000 0.985 363 E CA 1.427 57.805 56.400 -0.037 0.000 0.814 363 E CB 0.110 29.793 29.700 -0.029 0.000 0.752 363 E HN 0.752 nan 8.360 nan 0.000 0.466 364 D N -0.043 120.326 120.400 -0.052 0.000 2.375 364 D HA 0.195 4.835 4.640 -0.000 0.000 0.259 364 D C -0.148 176.103 176.300 -0.083 0.000 1.235 364 D CA -0.412 53.561 54.000 -0.046 0.000 0.924 364 D CB 1.440 42.221 40.800 -0.032 0.000 1.143 364 D HN -0.127 nan 8.370 nan 0.000 0.529 365 S N 0.901 116.547 115.700 -0.090 0.000 2.368 365 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 365 S C 1.832 176.363 174.600 -0.115 0.000 1.029 365 S CA 1.198 59.279 58.200 -0.200 0.000 0.988 365 S CB 0.047 63.181 63.200 -0.110 0.000 0.838 365 S HN 0.565 nan 8.310 nan 0.000 0.462 366 T N 2.166 116.757 114.554 0.061 0.000 2.684 366 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 366 T C 2.063 176.816 174.700 0.088 0.000 1.036 366 T CA 1.876 64.064 62.100 0.147 0.000 1.148 366 T CB -0.771 68.154 68.868 0.095 0.000 0.863 366 T HN 0.441 nan 8.240 nan 0.000 0.436 367 T N 0.915 115.480 114.554 0.017 0.000 2.746 367 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 367 T C 2.261 176.950 174.700 -0.018 0.000 1.039 367 T CA 1.232 63.334 62.100 0.003 0.000 1.142 367 T CB -0.823 68.036 68.868 -0.014 0.000 0.866 367 T HN 0.529 nan 8.240 nan 0.000 0.444 368 c N 0.618 119.163 118.600 -0.092 0.000 2.429 368 c HA -0.057 4.513 4.570 -0.000 0.000 0.277 368 c C 2.363 176.389 174.090 -0.108 0.000 1.262 368 c CA 0.424 56.660 56.329 -0.155 0.000 1.733 368 c CB -1.733 40.601 42.510 -0.294 0.000 2.010 368 c HN 0.590 nan 8.230 nan 0.000 0.483 369 F N 1.406 121.343 119.950 -0.022 0.000 2.102 369 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 369 F C 2.408 178.193 175.800 -0.025 0.000 1.105 369 F CA 1.631 59.614 58.000 -0.028 0.000 1.239 369 F CB -0.458 38.525 39.000 -0.030 0.000 0.991 369 F HN 0.284 nan 8.300 nan 0.000 0.474 370 N N 0.435 119.241 118.700 0.177 0.000 2.289 370 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 370 N C 1.720 177.266 175.510 0.059 0.000 1.016 370 N CA 1.210 54.316 53.050 0.092 0.000 0.872 370 N CB -0.432 38.093 38.487 0.063 0.000 0.973 370 N HN 0.303 nan 8.380 nan 0.000 0.433 371 A N 1.064 123.913 122.820 0.047 0.000 1.871 371 A HA -0.013 4.307 4.320 -0.000 0.000 0.211 371 A C 2.178 179.779 177.584 0.029 0.000 1.207 371 A CA 0.887 52.939 52.037 0.025 0.000 0.620 371 A CB -0.313 18.689 19.000 0.004 0.000 0.860 371 A HN 0.154 nan 8.150 nan 0.000 0.450 372 K N -0.306 120.116 120.400 0.037 0.000 2.097 372 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 372 K C 1.993 178.624 176.600 0.051 0.000 1.049 372 K CA 1.273 57.584 56.287 0.039 0.000 0.933 372 K CB -0.550 31.976 32.500 0.042 0.000 0.717 372 K HN 0.382 nan 8.250 nan 0.000 0.442 373 G N 1.710 110.554 108.800 0.073 0.000 2.631 373 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 373 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 373 G C -0.993 173.922 174.900 0.024 0.000 1.214 373 G CA 1.106 46.232 45.100 0.044 0.000 0.785 373 G HN 0.356 nan 8.290 nan 0.000 0.596 374 P HA -0.029 nan 4.420 nan 0.000 0.219 374 P C 1.973 179.285 177.300 0.021 0.000 1.146 374 P CA 0.767 63.880 63.100 0.020 0.000 0.808 374 P CB -0.089 31.622 31.700 0.019 0.000 0.779 375 L N -1.836 119.400 121.223 0.022 0.000 2.049 375 L HA -0.091 4.249 4.340 -0.000 0.000 0.203 375 L C 2.468 179.352 176.870 0.024 0.000 1.074 375 L CA 1.134 55.987 54.840 0.021 0.000 0.749 375 L CB -1.087 40.983 42.059 0.017 0.000 0.907 375 L HN -0.072 nan 8.230 nan 0.000 0.439 376 L N 0.230 121.465 121.223 0.021 0.000 2.079 376 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 376 L C 2.766 179.652 176.870 0.026 0.000 1.081 376 L CA 1.403 56.254 54.840 0.018 0.000 0.752 376 L CB -0.440 41.624 42.059 0.008 0.000 0.896 376 L HN 0.311 nan 8.230 nan 0.000 0.433 377 K N 0.365 120.779 120.400 0.025 0.000 2.063 377 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 377 K C 2.125 178.753 176.600 0.047 0.000 1.048 377 K CA 1.570 57.878 56.287 0.035 0.000 0.928 377 K CB 0.140 32.656 32.500 0.027 0.000 0.713 377 K HN 0.016 nan 8.250 nan 0.000 0.442 378 K N 1.008 121.434 120.400 0.042 0.000 2.057 378 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 378 K C 1.854 178.491 176.600 0.063 0.000 1.050 378 K CA 1.591 57.907 56.287 0.047 0.000 0.935 378 K CB -0.036 32.486 32.500 0.037 0.000 0.715 378 K HN 0.308 nan 8.250 nan 0.000 0.439 379 E N 0.194 120.430 120.200 0.060 0.000 2.077 379 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 379 E C 1.858 178.527 176.600 0.114 0.000 0.989 379 E CA 0.988 57.434 56.400 0.078 0.000 0.800 379 E CB -0.196 29.536 29.700 0.053 0.000 0.746 379 E HN 0.079 nan 8.360 nan 0.000 0.452 380 L N 1.004 122.282 121.223 0.091 0.000 2.027 380 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 380 L C 2.441 179.413 176.870 0.169 0.000 1.074 380 L CA 1.933 56.841 54.840 0.114 0.000 0.745 380 L CB -0.760 41.352 42.059 0.087 0.000 0.898 380 L HN -0.010 nan 8.230 nan 0.000 0.433 381 S N -1.561 114.212 115.700 0.121 0.000 2.370 381 S HA -0.241 4.229 4.470 -0.000 0.000 0.226 381 S C 2.297 176.966 174.600 0.114 0.000 1.033 381 S CA 1.800 60.063 58.200 0.106 0.000 1.011 381 S CB -0.622 62.622 63.200 0.073 0.000 0.852 381 S HN 0.697 nan 8.310 nan 0.000 0.457 382 S N -0.357 115.415 115.700 0.120 0.000 2.368 382 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 382 S C 1.614 176.296 174.600 0.136 0.000 1.029 382 S CA 1.336 59.599 58.200 0.105 0.000 0.988 382 S CB -0.751 62.506 63.200 0.094 0.000 0.838 382 S HN 0.670 nan 8.310 nan 0.000 0.462 383 F N 1.764 121.747 119.950 0.055 0.000 2.102 383 F HA 0.021 4.548 4.527 -0.000 0.000 0.298 383 F C 1.917 177.770 175.800 0.089 0.000 1.105 383 F CA 1.667 59.717 58.000 0.082 0.000 1.239 383 F CB -0.306 38.748 39.000 0.090 0.000 0.991 383 F HN 0.212 nan 8.300 nan 0.000 0.474 384 I N 0.377 121.158 120.570 0.352 0.000 2.179 384 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 384 I C 1.993 178.116 176.117 0.011 0.000 1.088 384 I CA 1.596 63.011 61.300 0.191 0.000 1.357 384 I CB -0.635 37.471 38.000 0.177 0.000 1.051 384 I HN 0.140 nan 8.210 nan 0.000 0.409 385 D N 0.789 121.203 120.400 0.024 0.000 2.123 385 D HA -0.225 4.415 4.640 -0.000 0.000 0.196 385 D C 2.066 178.332 176.300 -0.057 0.000 0.992 385 D CA 1.299 55.293 54.000 -0.010 0.000 0.833 385 D CB -0.225 40.582 40.800 0.011 0.000 0.954 385 D HN 0.102 nan 8.370 nan 0.000 0.455 386 K N 0.735 121.087 120.400 -0.080 0.000 2.097 386 K HA -0.022 4.298 4.320 -0.000 0.000 0.205 386 K C 1.971 178.473 176.600 -0.163 0.000 1.050 386 K CA 1.503 57.725 56.287 -0.109 0.000 0.938 386 K CB -0.764 31.665 32.500 -0.117 0.000 0.718 386 K HN 0.126 nan 8.250 nan 0.000 0.442 387 G N 0.199 108.837 108.800 -0.270 0.000 2.422 387 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 387 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 387 G C 1.319 175.914 174.900 -0.507 0.000 1.146 387 G CA 0.598 45.391 45.100 -0.511 0.000 0.769 387 G HN 0.448 nan 8.290 nan 0.000 0.547 388 Q N -0.382 119.242 119.800 -0.292 0.000 2.369 388 Q HA 0.013 4.353 4.340 -0.000 0.000 0.206 388 Q C 2.273 178.218 176.000 -0.093 0.000 0.963 388 Q CA 0.570 56.259 55.803 -0.190 0.000 0.894 388 Q CB 0.048 28.733 28.738 -0.087 0.000 0.965 388 Q HN 0.502 nan 8.270 nan 0.000 0.475 389 E N 1.030 121.180 120.200 -0.084 0.000 2.112 389 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 389 E C 1.833 178.432 176.600 -0.002 0.000 0.979 389 E CA 0.531 56.914 56.400 -0.028 0.000 0.814 389 E CB 0.139 29.819 29.700 -0.033 0.000 0.762 389 E HN 0.364 nan 8.360 nan 0.000 0.460 390 L N -0.108 121.099 121.223 -0.027 0.000 2.217 390 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 390 L C 2.096 179.056 176.870 0.149 0.000 1.107 390 L CA 0.587 55.465 54.840 0.062 0.000 0.783 390 L CB 0.015 42.131 42.059 0.094 0.000 0.919 390 L HN 0.194 nan 8.230 nan 0.000 0.442 391 c N -0.165 118.446 118.600 0.019 0.000 3.104 391 c HA 0.450 5.020 4.570 -0.000 0.000 0.284 391 c C 1.438 175.590 174.090 0.103 0.000 1.326 391 c CA -1.314 55.024 56.329 0.015 0.000 1.725 391 c CB -0.979 41.426 42.510 -0.174 0.000 2.156 391 c HN 0.378 nan 8.230 nan 0.000 0.638 392 A N 1.450 124.348 122.820 0.131 0.000 2.567 392 A HA 0.245 4.565 4.320 -0.000 0.000 0.240 392 A C 0.914 178.663 177.584 0.276 0.000 1.053 392 A CA 0.960 53.098 52.037 0.169 0.000 0.755 392 A CB -0.007 19.066 19.000 0.122 0.000 0.978 392 A HN 0.713 nan 8.150 nan 0.000 0.507 393 D N -0.282 120.258 120.400 0.233 0.000 2.705 393 D HA -0.292 4.348 4.640 -0.000 0.000 0.187 393 D C 0.638 177.091 176.300 0.254 0.000 1.015 393 D CA 2.270 56.423 54.000 0.256 0.000 1.030 393 D CB -1.418 39.560 40.800 0.297 0.000 1.100 393 D HN 0.856 nan 8.370 nan 0.000 0.439 394 Y N 1.658 121.943 120.300 -0.026 0.000 2.097 394 Y HA -0.221 4.329 4.550 -0.000 0.000 0.282 394 Y C 2.561 178.390 175.900 -0.119 0.000 1.152 394 Y CA 2.724 60.582 58.100 -0.403 0.000 1.136 394 Y CB -0.257 37.873 38.460 -0.549 0.000 0.975 394 Y HN 0.031 nan 8.280 nan 0.000 0.498 395 S N 0.046 115.795 115.700 0.082 0.000 2.383 395 S HA -0.172 4.298 4.470 -0.000 0.000 0.227 395 S C 1.461 176.045 174.600 -0.028 0.000 1.026 395 S CA 1.614 59.845 58.200 0.051 0.000 0.981 395 S CB -0.293 63.059 63.200 0.255 0.000 0.818 395 S HN 0.531 nan 8.310 nan 0.000 0.472 396 E N 1.253 121.448 120.200 -0.008 0.000 2.481 396 E HA 0.165 4.515 4.350 -0.000 0.000 0.195 396 E C 0.337 176.920 176.600 -0.029 0.000 1.047 396 E CA 0.258 56.641 56.400 -0.029 0.000 0.867 396 E CB 0.060 29.741 29.700 -0.032 0.000 0.858 396 E HN 0.392 nan 8.360 nan 0.000 0.513 397 N N -0.088 118.589 118.700 -0.039 0.000 2.629 397 N HA 0.240 4.980 4.740 -0.000 0.000 0.279 397 N C -0.548 174.931 175.510 -0.052 0.000 1.344 397 N CA -0.431 52.607 53.050 -0.019 0.000 0.789 397 N CB 1.642 40.153 38.487 0.040 0.000 1.508 397 N HN -0.011 nan 8.380 nan 0.000 0.516 398 T N -1.816 112.733 114.554 -0.008 0.000 2.904 398 T HA 0.170 4.520 4.350 -0.000 0.000 0.290 398 T C 1.313 176.064 174.700 0.085 0.000 1.018 398 T CA -0.477 61.632 62.100 0.015 0.000 1.075 398 T CB 0.457 69.343 68.868 0.031 0.000 0.986 398 T HN 0.358 nan 8.240 nan 0.000 0.523 399 F N 2.348 122.269 119.950 -0.048 0.000 2.063 399 F HA -0.185 4.342 4.527 0.000 0.000 0.298 399 F C 2.608 178.497 175.800 0.148 0.000 1.105 399 F CA 2.535 60.575 58.000 0.066 0.000 1.215 399 F CB -1.232 37.806 39.000 0.065 0.000 0.972 399 F HN 0.755 nan 8.300 nan 0.000 0.483 400 T N -0.613 114.002 114.554 0.103 0.000 2.684 400 T HA -0.274 4.075 4.350 -0.000 0.000 0.267 400 T C 1.735 176.394 174.700 -0.067 0.000 1.036 400 T CA 1.772 63.860 62.100 -0.019 0.000 1.148 400 T CB -0.412 68.481 68.868 0.041 0.000 0.863 400 T HN 0.263 nan 8.240 nan 0.000 0.436 401 E N 0.133 120.325 120.200 -0.013 0.000 2.153 401 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 401 E C 1.802 178.385 176.600 -0.028 0.000 0.988 401 E CA 0.884 57.272 56.400 -0.020 0.000 0.811 401 E CB -0.385 29.317 29.700 0.004 0.000 0.746 401 E HN 0.677 nan 8.360 nan 0.000 0.466 402 Y N 1.345 121.569 120.300 -0.126 0.000 2.114 402 Y HA -0.160 4.390 4.550 0.000 0.000 0.284 402 Y C 1.670 177.478 175.900 -0.153 0.000 1.143 402 Y CA 1.839 59.865 58.100 -0.123 0.000 1.135 402 Y CB -0.259 38.118 38.460 -0.138 0.000 0.980 402 Y HN -0.124 nan 8.280 nan 0.000 0.499 403 K N 0.925 120.949 120.400 -0.628 0.000 2.113 403 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 403 K C 1.984 178.341 176.600 -0.406 0.000 1.047 403 K CA 1.910 57.804 56.287 -0.655 0.000 0.928 403 K CB -0.333 31.887 32.500 -0.467 0.000 0.716 403 K HN 0.482 nan 8.250 nan 0.000 0.446 404 K N 0.983 121.226 120.400 -0.261 0.000 2.025 404 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 404 K C 2.186 178.694 176.600 -0.153 0.000 1.049 404 K CA 1.186 57.374 56.287 -0.164 0.000 0.933 404 K CB -0.061 32.378 32.500 -0.101 0.000 0.714 404 K HN 0.133 nan 8.250 nan 0.000 0.438 405 K N 0.769 121.079 120.400 -0.150 0.000 2.148 405 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 405 K C 2.104 178.622 176.600 -0.136 0.000 1.050 405 K CA 0.640 56.865 56.287 -0.102 0.000 0.942 405 K CB -0.147 32.327 32.500 -0.044 0.000 0.724 405 K HN 0.016 nan 8.250 nan 0.000 0.446 406 L N 1.395 122.457 121.223 -0.268 0.000 2.017 406 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 406 L C 2.220 178.989 176.870 -0.168 0.000 1.073 406 L CA 1.867 56.546 54.840 -0.268 0.000 0.745 406 L CB -0.750 40.979 42.059 -0.549 0.000 0.894 406 L HN 0.106 nan 8.230 nan 0.000 0.432 407 A N -0.784 121.932 122.820 -0.174 0.000 1.877 407 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 407 A C 2.146 179.684 177.584 -0.077 0.000 1.186 407 A CA 1.690 53.660 52.037 -0.112 0.000 0.620 407 A CB -0.645 18.291 19.000 -0.107 0.000 0.822 407 A HN 0.552 nan 8.150 nan 0.000 0.443 408 E N -0.006 120.149 120.200 -0.074 0.000 2.085 408 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 408 E C 2.226 178.802 176.600 -0.040 0.000 0.994 408 E CA 1.147 57.517 56.400 -0.050 0.000 0.801 408 E CB -0.380 29.293 29.700 -0.045 0.000 0.743 408 E HN 0.613 nan 8.360 nan 0.000 0.453 409 R N 0.222 120.697 120.500 -0.042 0.000 2.073 409 R HA -0.065 4.274 4.340 -0.000 0.000 0.234 409 R C 2.694 178.979 176.300 -0.025 0.000 1.134 409 R CA 0.981 57.065 56.100 -0.026 0.000 0.952 409 R CB -0.444 29.846 30.300 -0.017 0.000 0.850 409 R HN 0.165 nan 8.270 nan 0.000 0.433 410 L N 0.833 122.035 121.223 -0.034 0.000 2.046 410 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 410 L C 2.365 179.219 176.870 -0.026 0.000 1.077 410 L CA 1.504 56.327 54.840 -0.029 0.000 0.747 410 L CB -0.353 41.684 42.059 -0.036 0.000 0.896 410 L HN 0.152 nan 8.230 nan 0.000 0.432 411 K N 0.080 120.462 120.400 -0.030 0.000 2.063 411 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 411 K C 2.185 178.773 176.600 -0.019 0.000 1.048 411 K CA 1.533 57.805 56.287 -0.025 0.000 0.928 411 K CB -0.324 32.159 32.500 -0.027 0.000 0.713 411 K HN 0.300 nan 8.250 nan 0.000 0.442 412 A N 1.525 124.334 122.820 -0.019 0.000 2.015 412 A HA -0.150 4.169 4.320 -0.000 0.000 0.219 412 A C 1.678 179.255 177.584 -0.012 0.000 1.163 412 A CA 1.362 53.390 52.037 -0.015 0.000 0.646 412 A CB -0.145 18.847 19.000 -0.013 0.000 0.806 412 A HN 0.208 nan 8.150 nan 0.000 0.448 413 K N -1.222 119.170 120.400 -0.013 0.000 2.356 413 K HA 0.302 4.622 4.320 -0.000 0.000 0.195 413 K C -0.364 176.229 176.600 -0.012 0.000 1.037 413 K CA 0.344 56.624 56.287 -0.011 0.000 1.014 413 K CB 0.230 32.723 32.500 -0.011 0.000 0.815 413 K HN 0.336 nan 8.250 nan 0.000 0.507 414 L N 2.308 123.523 121.223 -0.013 0.000 2.488 414 L HA 0.209 4.549 4.340 -0.000 0.000 0.250 414 L C -1.889 174.974 176.870 -0.012 0.000 1.280 414 L CA -1.253 53.580 54.840 -0.012 0.000 0.929 414 L CB 1.484 43.535 42.059 -0.013 0.000 1.200 414 L HN -0.095 nan 8.230 nan 0.000 0.495 415 P HA -0.155 nan 4.420 nan 0.000 0.217 415 P C 0.435 177.729 177.300 -0.010 0.000 1.150 415 P CA 1.176 64.270 63.100 -0.010 0.000 0.832 415 P CB 0.492 32.187 31.700 -0.009 0.000 0.787 416 D N -0.191 120.203 120.400 -0.009 0.000 2.325 416 D HA 0.194 4.834 4.640 -0.000 0.000 0.225 416 D C 0.557 176.852 176.300 -0.008 0.000 1.096 416 D CA 0.048 54.044 54.000 -0.008 0.000 0.844 416 D CB 0.219 41.015 40.800 -0.007 0.000 0.925 416 D HN 0.139 nan 8.370 nan 0.000 0.513 417 A N 1.162 123.976 122.820 -0.010 0.000 2.409 417 A HA 0.348 4.668 4.320 -0.000 0.000 0.262 417 A C 0.937 178.515 177.584 -0.010 0.000 1.113 417 A CA -0.435 51.596 52.037 -0.010 0.000 0.790 417 A CB 0.288 19.280 19.000 -0.012 0.000 1.046 417 A HN 0.141 nan 8.150 nan 0.000 0.496 418 T N 0.898 115.447 114.554 -0.008 0.000 2.860 418 T HA 0.315 4.665 4.350 -0.000 0.000 0.299 418 T C -1.877 172.818 174.700 -0.010 0.000 1.045 418 T CA -1.066 61.030 62.100 -0.008 0.000 1.071 418 T CB 0.529 69.393 68.868 -0.006 0.000 0.985 418 T HN 0.335 nan 8.240 nan 0.000 0.537 419 P HA -0.034 nan 4.420 nan 0.000 0.219 419 P C 1.553 178.847 177.300 -0.010 0.000 1.146 419 P CA 0.903 63.996 63.100 -0.012 0.000 0.808 419 P CB -0.115 31.578 31.700 -0.011 0.000 0.779 420 T N -0.609 113.941 114.554 -0.007 0.000 2.737 420 T HA -0.125 4.224 4.350 -0.000 0.000 0.265 420 T C 1.592 176.289 174.700 -0.004 0.000 1.038 420 T CA 1.296 63.393 62.100 -0.004 0.000 1.144 420 T CB -0.581 68.285 68.868 -0.002 0.000 0.866 420 T HN 0.299 nan 8.240 nan 0.000 0.434 421 E N 0.736 120.933 120.200 -0.005 0.000 2.110 421 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 421 E C 2.186 178.781 176.600 -0.008 0.000 0.988 421 E CA 0.783 57.179 56.400 -0.006 0.000 0.804 421 E CB -0.239 29.457 29.700 -0.007 0.000 0.745 421 E HN 0.386 nan 8.360 nan 0.000 0.458 422 L N 0.427 121.642 121.223 -0.012 0.000 2.056 422 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 422 L C 2.557 179.415 176.870 -0.019 0.000 1.078 422 L CA 0.908 55.737 54.840 -0.019 0.000 0.749 422 L CB -0.441 41.604 42.059 -0.023 0.000 0.901 422 L HN 0.170 nan 8.230 nan 0.000 0.433 423 A N 0.245 123.056 122.820 -0.015 0.000 1.902 423 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 423 A C 2.309 179.892 177.584 -0.002 0.000 1.181 423 A CA 1.743 53.773 52.037 -0.012 0.000 0.623 423 A CB -0.350 18.646 19.000 -0.007 0.000 0.818 423 A HN 0.323 nan 8.150 nan 0.000 0.443 424 K N -0.438 119.964 120.400 0.003 0.000 2.057 424 K HA -0.044 4.276 4.320 -0.000 0.000 0.207 424 K C 1.868 178.478 176.600 0.016 0.000 1.049 424 K CA 1.407 57.701 56.287 0.012 0.000 0.931 424 K CB -0.390 32.116 32.500 0.009 0.000 0.714 424 K HN 0.471 nan 8.250 nan 0.000 0.440 425 L N 0.550 121.776 121.223 0.006 0.000 2.056 425 L HA -0.158 4.181 4.340 -0.000 0.000 0.207 425 L C 2.361 179.238 176.870 0.013 0.000 1.078 425 L CA 0.722 55.566 54.840 0.008 0.000 0.749 425 L CB -0.442 41.614 42.059 -0.004 0.000 0.901 425 L HN -0.029 nan 8.230 nan 0.000 0.433 426 V N 0.295 120.205 119.914 -0.008 0.000 2.343 426 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 426 V C 2.076 178.180 176.094 0.017 0.000 1.051 426 V CA 2.118 64.401 62.300 -0.029 0.000 1.036 426 V CB -0.767 31.015 31.823 -0.068 0.000 0.654 426 V HN 0.515 nan 8.190 nan 0.000 0.451 427 N N 0.004 118.726 118.700 0.036 0.000 2.058 427 N HA -0.234 4.506 4.740 -0.000 0.000 0.191 427 N C 1.995 177.575 175.510 0.117 0.000 1.037 427 N CA 1.528 54.624 53.050 0.077 0.000 0.848 427 N CB -0.222 38.302 38.487 0.062 0.000 1.021 427 N HN 0.475 nan 8.380 nan 0.000 0.422 428 K N 1.588 122.045 120.400 0.094 0.000 2.009 428 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 428 K C 2.221 178.923 176.600 0.170 0.000 1.049 428 K CA 1.356 57.711 56.287 0.113 0.000 0.929 428 K CB -0.069 32.472 32.500 0.068 0.000 0.714 428 K HN -0.068 nan 8.250 nan 0.000 0.440 429 R N 1.119 121.710 120.500 0.152 0.000 2.148 429 R HA -0.050 4.290 4.340 -0.000 0.000 0.227 429 R C 2.171 178.681 176.300 0.349 0.000 1.103 429 R CA 2.083 58.316 56.100 0.220 0.000 0.983 429 R CB -0.520 29.867 30.300 0.145 0.000 0.874 429 R HN 0.448 nan 8.270 nan 0.000 0.451 430 S N -1.169 114.721 115.700 0.317 0.000 2.470 430 S HA -0.053 4.417 4.470 -0.000 0.000 0.225 430 S C 1.668 176.561 174.600 0.489 0.000 1.006 430 S CA 0.885 59.380 58.200 0.491 0.000 0.934 430 S CB -0.121 63.258 63.200 0.298 0.000 0.778 430 S HN 0.419 nan 8.310 nan 0.000 0.517 431 D N 0.899 121.508 120.400 0.349 0.000 2.103 431 D HA -0.073 4.567 4.640 -0.000 0.000 0.199 431 D C 1.623 178.070 176.300 0.244 0.000 0.978 431 D CA 1.018 55.184 54.000 0.276 0.000 0.829 431 D CB -0.397 40.532 40.800 0.214 0.000 0.981 431 D HN 0.367 nan 8.370 nan 0.000 0.464 432 F N 1.178 121.218 119.950 0.149 0.000 2.095 432 F HA -0.083 4.444 4.527 0.001 0.000 0.298 432 F C 2.068 177.906 175.800 0.063 0.000 1.104 432 F CA 1.871 59.941 58.000 0.117 0.000 1.232 432 F CB -0.621 38.434 39.000 0.091 0.000 0.987 432 F HN 0.018 nan 8.300 nan 0.000 0.475 433 A N -0.296 122.509 122.820 -0.025 0.000 2.070 433 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 433 A C 2.253 179.382 177.584 -0.759 0.000 1.159 433 A CA 1.741 53.540 52.037 -0.397 0.000 0.656 433 A CB -1.245 17.654 19.000 -0.169 0.000 0.800 433 A HN 0.544 nan 8.150 nan 0.000 0.453 434 S N -0.558 114.991 115.700 -0.251 0.000 2.470 434 S HA -0.015 4.455 4.470 -0.000 0.000 0.225 434 S C 1.517 176.007 174.600 -0.184 0.000 1.006 434 S CA 0.784 58.892 58.200 -0.152 0.000 0.934 434 S CB -0.272 62.936 63.200 0.013 0.000 0.778 434 S HN 0.568 nan 8.310 nan 0.000 0.517 435 N N 0.534 119.124 118.700 -0.182 0.000 2.402 435 N HA 0.154 4.894 4.740 -0.000 0.000 0.174 435 N C 0.386 175.793 175.510 -0.171 0.000 1.027 435 N CA 0.902 53.902 53.050 -0.084 0.000 0.891 435 N CB 0.186 38.744 38.487 0.119 0.000 1.016 435 N HN 0.420 nan 8.380 nan 0.000 0.439 436 c N -0.342 117.994 118.600 -0.441 0.000 2.976 436 c HA 0.403 4.973 4.570 -0.000 0.000 0.274 436 c C 1.301 175.219 174.090 -0.286 0.000 1.487 436 c CA -0.717 55.366 56.329 -0.410 0.000 1.789 436 c CB -1.144 40.961 42.510 -0.675 0.000 2.771 436 c HN 0.441 nan 8.230 nan 0.000 0.551 437 c N 0.523 118.880 118.600 -0.404 0.000 3.491 437 c HA 0.214 4.784 4.570 -0.000 0.000 0.298 437 c C 1.167 175.158 174.090 -0.165 0.000 1.424 437 c CA 0.034 56.172 56.329 -0.318 0.000 1.772 437 c CB -1.250 40.922 42.510 -0.564 0.000 2.447 437 c HN 0.598 nan 8.230 nan 0.000 0.670 438 S N 0.630 116.260 115.700 -0.117 0.000 2.672 438 S HA 0.344 4.814 4.470 -0.000 0.000 0.276 438 S C 1.038 175.642 174.600 0.007 0.000 1.207 438 S CA -0.481 57.735 58.200 0.026 0.000 1.002 438 S CB 1.059 64.274 63.200 0.024 0.000 0.998 438 S HN 0.416 nan 8.310 nan 0.000 0.542 439 I N 1.103 121.679 120.570 0.010 0.000 2.361 439 I HA -0.120 4.050 4.170 -0.000 0.000 0.251 439 I C 0.332 176.434 176.117 -0.025 0.000 1.133 439 I CA 1.172 62.470 61.300 -0.003 0.000 1.413 439 I CB 0.075 38.065 38.000 -0.016 0.000 1.073 439 I HN 0.456 nan 8.210 nan 0.000 0.424 440 N N 1.462 120.126 118.700 -0.060 0.000 2.671 440 N HA 0.167 4.907 4.740 -0.000 0.000 0.303 440 N C -0.514 174.980 175.510 -0.026 0.000 1.351 440 N CA -0.018 52.995 53.050 -0.061 0.000 0.991 440 N CB 0.624 39.017 38.487 -0.157 0.000 1.307 440 N HN 0.125 nan 8.380 nan 0.000 0.512 441 S N 2.193 117.882 115.700 -0.018 0.000 2.585 441 S HA 0.197 4.667 4.470 -0.000 0.000 0.273 441 S C -2.096 172.480 174.600 -0.039 0.000 1.339 441 S CA -0.695 57.485 58.200 -0.035 0.000 1.028 441 S CB 0.685 63.867 63.200 -0.029 0.000 0.906 441 S HN 0.273 nan 8.310 nan 0.000 0.528 442 P HA 0.187 nan 4.420 nan 0.000 0.269 442 P C -2.339 174.930 177.300 -0.051 0.000 1.252 442 P CA -1.427 61.597 63.100 -0.126 0.000 0.780 442 P CB 0.548 32.081 31.700 -0.278 0.000 0.829 443 P HA -0.185 nan 4.420 nan 0.000 0.214 443 P C 1.770 179.005 177.300 -0.108 0.000 1.169 443 P CA 1.482 64.458 63.100 -0.206 0.000 0.908 443 P CB -0.069 31.246 31.700 -0.642 0.000 0.791 444 L N -2.892 118.269 121.223 -0.104 0.000 2.017 444 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 444 L C 2.681 179.589 176.870 0.064 0.000 1.073 444 L CA 1.660 56.483 54.840 -0.028 0.000 0.745 444 L CB -1.137 40.903 42.059 -0.032 0.000 0.894 444 L HN -0.039 nan 8.230 nan 0.000 0.432 445 Y N 0.297 120.601 120.300 0.006 0.000 2.145 445 Y HA -0.304 4.246 4.550 0.000 0.000 0.286 445 Y C 2.685 178.621 175.900 0.061 0.000 1.145 445 Y CA 1.703 59.858 58.100 0.091 0.000 1.148 445 Y CB -0.489 38.115 38.460 0.239 0.000 0.981 445 Y HN 0.156 nan 8.280 nan 0.000 0.507 446 c N 0.147 118.813 118.600 0.110 0.000 2.432 446 c HA -0.106 4.463 4.570 -0.000 0.000 0.280 446 c C 2.430 176.485 174.090 -0.058 0.000 1.353 446 c CA 1.065 57.390 56.329 -0.007 0.000 1.766 446 c CB -1.297 41.214 42.510 0.001 0.000 1.924 446 c HN 0.700 nan 8.230 nan 0.000 0.509 447 D N 1.725 122.104 120.400 -0.036 0.000 2.116 447 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 447 D C 2.189 178.459 176.300 -0.050 0.000 0.998 447 D CA 2.269 56.251 54.000 -0.030 0.000 0.836 447 D CB 0.093 40.891 40.800 -0.003 0.000 0.951 447 D HN 0.558 nan 8.370 nan 0.000 0.449 448 S N -0.555 115.101 115.700 -0.073 0.000 2.395 448 S HA -0.060 4.410 4.470 -0.000 0.000 0.225 448 S C 1.839 176.374 174.600 -0.108 0.000 1.027 448 S CA 0.429 58.578 58.200 -0.085 0.000 0.965 448 S CB -0.269 62.877 63.200 -0.089 0.000 0.812 448 S HN 0.173 nan 8.310 nan 0.000 0.482 449 E N 1.592 121.701 120.200 -0.152 0.000 2.150 449 E HA 0.057 4.407 4.350 -0.000 0.000 0.193 449 E C 2.001 178.608 176.600 0.012 0.000 0.985 449 E CA 0.701 57.056 56.400 -0.075 0.000 0.814 449 E CB -0.400 29.264 29.700 -0.061 0.000 0.752 449 E HN 0.599 nan 8.360 nan 0.000 0.466 450 I N 1.372 121.953 120.570 0.018 0.000 2.252 450 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 450 I C 1.850 177.895 176.117 -0.120 0.000 1.102 450 I CA 0.933 62.178 61.300 -0.091 0.000 1.385 450 I CB -0.182 37.644 38.000 -0.290 0.000 1.064 450 I HN -0.050 nan 8.210 nan 0.000 0.414 451 D N 1.214 121.571 120.400 -0.073 0.000 2.104 451 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 451 D C 2.242 178.500 176.300 -0.070 0.000 0.994 451 D CA 1.745 55.718 54.000 -0.045 0.000 0.830 451 D CB -0.160 40.624 40.800 -0.027 0.000 0.959 451 D HN 0.362 nan 8.370 nan 0.000 0.452 452 A N 1.364 124.129 122.820 -0.092 0.000 1.858 452 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 452 A C 2.030 179.525 177.584 -0.149 0.000 1.190 452 A CA 1.279 53.255 52.037 -0.103 0.000 0.617 452 A CB -0.390 18.551 19.000 -0.098 0.000 0.827 452 A HN 0.059 nan 8.150 nan 0.000 0.443 453 E N 0.111 120.161 120.200 -0.250 0.000 2.204 453 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 453 E C 1.976 178.442 176.600 -0.223 0.000 0.990 453 E CA 0.693 56.886 56.400 -0.344 0.000 0.821 453 E CB -0.382 28.854 29.700 -0.774 0.000 0.750 453 E HN 0.679 nan 8.360 nan 0.000 0.477 454 L N 0.852 121.977 121.223 -0.162 0.000 2.083 454 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 454 L C 1.920 178.744 176.870 -0.077 0.000 1.083 454 L CA 1.288 56.062 54.840 -0.110 0.000 0.752 454 L CB -0.316 41.698 42.059 -0.075 0.000 0.899 454 L HN 0.099 nan 8.230 nan 0.000 0.433 455 K N -0.194 120.165 120.400 -0.068 0.000 3.041 455 K HA 0.116 4.436 4.320 -0.000 0.000 0.243 455 K C 0.054 176.620 176.600 -0.057 0.000 1.167 455 K CA -0.144 56.115 56.287 -0.048 0.000 1.235 455 K CB -0.213 32.267 32.500 -0.034 0.000 1.205 455 K HN 0.112 nan 8.250 nan 0.000 0.448 456 N N 1.403 120.059 118.700 -0.073 0.000 2.335 456 N HA 0.444 5.184 4.740 -0.000 0.000 0.304 456 N C 0.463 175.938 175.510 -0.057 0.000 1.135 456 N CA 0.497 53.504 53.050 -0.072 0.000 0.817 456 N CB 1.526 39.949 38.487 -0.106 0.000 1.294 456 N HN 0.191 nan 8.380 nan 0.000 0.497 457 I N 0.000 120.543 120.570 -0.045 0.000 2.984 457 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 457 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 457 I CB 0.000 37.980 38.000 -0.034 0.000 1.214 457 I HN 0.000 nan 8.210 nan 0.000 0.494