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 3ebs_1_A DATA FIRST_RESID 30 DATA SEQUENCE KGKLPPGPTP LPFIGNYLQL NTEQMYNSLM KISERYGPVF TIHLGPRRVV DATA SEQUENCE VLCGHDAVRE ALVDQAEEFS GRGEQATFDW VFKGYGVVFS NGERAKQLRR DATA SEQUENCE FSIATLRDFG VGKRGIEERI QEEAGFLIDA LRGTGGANID PTFFLSRTVS DATA SEQUENCE NVISSIVFGD RFDYKDKEFL SLLRMMLGSF QFTSTSTGQL YEMFSSVMKH DATA SEQUENCE LPGPQQQAFQ LLQGLEDFIA KKVEHNQRTL DPNSPRDFID SFLIRMQEEE DATA SEQUENCE KNPNTEFYLK NLVMTTLNLF FAGTETVSTT LRYGFLLLMK HPEVEAKVHE DATA SEQUENCE EIDRVIGKNR QPKFEDRAKM PYMEAVIHEI QRFGDVIPMG LARRVKKDTK DATA SEQUENCE FRDFFLPKGT EVYPMLGSVL RDPSFFSNPQ DFNPQHFLNE KGQFKKSDAF DATA SEQUENCE VPFSIGKRNC FGEGLARMEL FLFFTTVMQN FRLKSSQSPK DIDVSPKHVG DATA SEQUENCE FATIPRNYTM SFLPR 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 30 K HA 0.000 nan 4.320 nan 0.000 0.191 30 K C 0.000 176.627 176.600 0.044 0.000 0.988 30 K CA 0.000 56.299 56.287 0.021 0.000 0.838 30 K CB 0.000 32.524 32.500 0.041 0.000 1.064 31 G N 2.245 111.089 108.800 0.073 0.000 2.338 31 G HA2 -0.285 2.683 3.960 -1.653 0.000 0.296 31 G HA3 -0.285 2.683 3.960 -1.653 0.000 0.296 31 G C -0.420 174.580 174.900 0.168 0.000 1.040 31 G CA 1.107 46.269 45.100 0.103 0.000 1.004 31 G HN 0.501 nan 8.290 nan 0.000 0.509 32 K N -0.770 119.791 120.400 0.267 0.000 2.385 32 K HA 0.764 4.092 4.320 -1.653 0.000 0.248 32 K C 0.249 177.077 176.600 0.379 0.000 0.955 32 K CA -1.308 55.155 56.287 0.294 0.000 0.816 32 K CB 1.217 33.846 32.500 0.216 0.000 1.250 32 K HN 0.324 nan 8.250 nan 0.000 0.434 33 L N 4.163 125.557 121.223 0.286 0.000 2.529 33 L HA 0.178 3.526 4.340 -1.653 0.000 0.287 33 L C -2.126 174.810 176.870 0.110 0.000 1.241 33 L CA -0.387 54.547 54.840 0.157 0.000 0.857 33 L CB 0.016 42.130 42.059 0.093 0.000 1.113 33 L HN 0.645 nan 8.230 nan 0.000 0.504 34 P HA 0.089 nan 4.420 nan 0.000 0.268 34 P C -2.546 174.691 177.300 -0.105 0.000 1.208 34 P CA -0.759 62.054 63.100 -0.480 0.000 0.777 34 P CB -0.223 31.019 31.700 -0.764 0.000 0.875 35 P HA 0.294 nan 4.420 nan 0.000 0.272 35 P C -0.105 177.144 177.300 -0.084 0.000 1.240 35 P CA 0.291 63.459 63.100 0.112 0.000 0.791 35 P CB 0.741 32.628 31.700 0.311 0.000 0.978 36 G N 0.120 108.720 108.800 -0.334 0.000 2.451 36 G HA2 0.475 3.443 3.960 -1.653 0.000 0.292 36 G HA3 0.475 3.443 3.960 -1.653 0.000 0.292 36 G C -3.283 171.186 174.900 -0.718 0.000 1.427 36 G CA -0.910 43.669 45.100 -0.869 0.000 0.792 36 G HN 0.326 nan 8.290 nan 0.000 0.498 37 P HA 0.299 nan 4.420 nan 0.000 0.272 37 P C -0.026 177.251 177.300 -0.038 0.000 1.240 37 P CA 0.062 63.081 63.100 -0.135 0.000 0.791 37 P CB 0.396 32.068 31.700 -0.046 0.000 0.978 38 T N 3.163 117.723 114.554 0.008 0.000 2.761 38 T HA 0.299 3.657 4.350 -1.653 0.000 0.296 38 T C -1.971 172.700 174.700 -0.049 0.000 0.934 38 T CA -0.944 61.147 62.100 -0.015 0.000 1.091 38 T CB -0.156 68.716 68.868 0.006 0.000 0.896 38 T HN 0.386 nan 8.240 nan 0.000 0.515 39 P HA 0.357 nan 4.420 nan 0.000 0.277 39 P C -0.909 176.322 177.300 -0.116 0.000 1.240 39 P CA -0.761 62.217 63.100 -0.202 0.000 0.798 39 P CB 0.708 32.018 31.700 -0.649 0.000 0.979 40 L N 3.595 124.793 121.223 -0.041 0.000 2.360 40 L HA 0.504 3.852 4.340 -1.653 0.000 0.271 40 L C -2.069 174.813 176.870 0.019 0.000 1.057 40 L CA -2.487 52.356 54.840 0.006 0.000 0.803 40 L CB -0.357 41.735 42.059 0.055 0.000 1.207 40 L HN 0.253 nan 8.230 nan 0.000 0.445 41 P HA 0.071 nan 4.420 nan 0.000 0.265 41 P C 0.434 177.855 177.300 0.201 0.000 1.193 41 P CA 0.182 63.336 63.100 0.090 0.000 0.765 41 P CB 0.261 32.011 31.700 0.084 0.000 0.823 42 F N 2.986 122.967 119.950 0.052 0.000 2.565 42 F HA -0.390 3.146 4.527 -1.652 0.000 0.684 42 F C 1.333 177.254 175.800 0.202 0.000 0.487 42 F CA 2.453 60.514 58.000 0.101 0.000 0.725 42 F CB -1.723 37.322 39.000 0.074 0.000 1.613 42 F HN 0.341 nan 8.300 nan 0.000 0.264 43 I N -0.402 120.251 120.570 0.138 0.000 2.756 43 I HA 0.314 3.492 4.170 -1.653 0.000 0.262 43 I C 1.827 178.031 176.117 0.144 0.000 1.225 43 I CA 1.124 62.546 61.300 0.204 0.000 1.472 43 I CB -1.151 37.000 38.000 0.251 0.000 1.094 43 I HN 0.990 nan 8.210 nan 0.000 0.454 44 G N 2.342 111.174 108.800 0.053 0.000 2.596 44 G HA2 -0.425 2.543 3.960 -1.653 0.000 0.304 44 G HA3 -0.425 2.543 3.960 -1.653 0.000 0.304 44 G C 0.356 175.299 174.900 0.071 0.000 1.189 44 G CA 0.839 45.957 45.100 0.031 0.000 0.986 44 G HN 0.575 nan 8.290 nan 0.000 0.548 45 N N 0.009 118.770 118.700 0.102 0.000 2.235 45 N HA 0.312 4.060 4.740 -1.653 0.000 0.209 45 N C 1.286 176.854 175.510 0.097 0.000 1.122 45 N CA 0.451 53.552 53.050 0.086 0.000 0.845 45 N CB 0.135 38.668 38.487 0.076 0.000 1.004 45 N HN 0.525 nan 8.380 nan 0.000 0.499 46 Y N 1.354 121.679 120.300 0.042 0.000 2.228 46 Y HA -0.236 3.322 4.550 -1.653 0.000 0.285 46 Y C 1.294 177.240 175.900 0.076 0.000 1.178 46 Y CA 1.605 59.751 58.100 0.077 0.000 1.202 46 Y CB -0.089 38.502 38.460 0.217 0.000 0.974 46 Y HN 0.124 nan 8.280 nan 0.000 0.527 47 L N -0.506 120.655 121.223 -0.103 0.000 2.313 47 L HA -0.115 3.233 4.340 -1.653 0.000 0.214 47 L C 1.914 178.692 176.870 -0.152 0.000 1.119 47 L CA 0.868 55.592 54.840 -0.194 0.000 0.809 47 L CB -0.389 41.659 42.059 -0.019 0.000 0.933 47 L HN 0.137 nan 8.230 nan 0.000 0.449 48 Q N -0.123 119.626 119.800 -0.086 0.000 2.403 48 Q HA 0.216 3.564 4.340 -1.653 0.000 0.203 48 Q C -0.400 175.564 176.000 -0.060 0.000 0.932 48 Q CA 0.450 56.223 55.803 -0.050 0.000 0.945 48 Q CB 0.359 29.092 28.738 -0.009 0.000 1.045 48 Q HN 0.398 nan 8.270 nan 0.000 0.511 49 L N 0.077 121.236 121.223 -0.108 0.000 2.370 49 L HA 0.447 3.795 4.340 -1.653 0.000 0.266 49 L C -0.584 176.216 176.870 -0.116 0.000 1.002 49 L CA -1.194 53.600 54.840 -0.077 0.000 0.818 49 L CB 1.545 43.586 42.059 -0.030 0.000 1.325 49 L HN -0.134 nan 8.230 nan 0.000 0.418 50 N N -0.081 118.590 118.700 -0.048 0.000 2.437 50 N HA 0.168 3.916 4.740 -1.653 0.000 0.259 50 N C 0.790 176.312 175.510 0.019 0.000 0.983 50 N CA -0.258 52.776 53.050 -0.027 0.000 0.937 50 N CB 1.531 40.014 38.487 -0.006 0.000 1.122 50 N HN 0.715 nan 8.380 nan 0.000 0.499 51 T N 0.440 115.021 114.554 0.045 0.000 2.962 51 T HA -0.120 3.238 4.350 -1.653 0.000 0.270 51 T C 1.235 175.958 174.700 0.039 0.000 1.088 51 T CA 1.071 63.211 62.100 0.067 0.000 1.127 51 T CB -0.109 68.830 68.868 0.118 0.000 0.883 51 T HN 0.657 nan 8.240 nan 0.000 0.493 52 E N 1.249 121.473 120.200 0.039 0.000 2.274 52 E HA -0.035 3.323 4.350 -1.653 0.000 0.194 52 E C 1.019 177.649 176.600 0.050 0.000 0.996 52 E CA 0.627 57.050 56.400 0.038 0.000 0.840 52 E CB 0.125 29.853 29.700 0.046 0.000 0.772 52 E HN 0.609 nan 8.360 nan 0.000 0.491 53 Q N -0.215 119.618 119.800 0.055 0.000 3.048 53 Q HA 0.161 3.509 4.340 -1.653 0.000 0.337 53 Q C 0.345 176.398 176.000 0.088 0.000 0.845 53 Q CA -0.405 55.443 55.803 0.074 0.000 0.942 53 Q CB 0.830 29.608 28.738 0.067 0.000 1.454 53 Q HN 0.234 nan 8.270 nan 0.000 0.392 54 M N -0.338 119.318 119.600 0.094 0.000 2.082 54 M HA -0.221 3.267 4.480 -1.653 0.000 0.258 54 M C 1.802 178.184 176.300 0.136 0.000 1.069 54 M CA 1.926 57.291 55.300 0.108 0.000 1.102 54 M CB -0.723 31.948 32.600 0.118 0.000 1.336 54 M HN 0.571 nan 8.290 nan 0.000 0.404 55 Y N 1.655 121.981 120.300 0.043 0.000 2.128 55 Y HA -0.277 3.281 4.550 -1.653 0.000 0.284 55 Y C 2.142 178.072 175.900 0.049 0.000 1.154 55 Y CA 1.923 60.048 58.100 0.042 0.000 1.149 55 Y CB -0.327 38.136 38.460 0.005 0.000 0.976 55 Y HN 0.317 nan 8.280 nan 0.000 0.505 56 N N -0.173 118.644 118.700 0.194 0.000 2.120 56 N HA -0.168 3.580 4.740 -1.653 0.000 0.188 56 N C 1.992 177.512 175.510 0.017 0.000 1.024 56 N CA 1.565 54.674 53.050 0.098 0.000 0.852 56 N CB -0.622 37.935 38.487 0.117 0.000 1.003 56 N HN 0.326 nan 8.380 nan 0.000 0.424 57 S N 1.363 117.081 115.700 0.031 0.000 2.353 57 S HA -0.050 3.428 4.470 -1.653 0.000 0.222 57 S C 2.147 176.755 174.600 0.013 0.000 1.035 57 S CA 0.892 59.102 58.200 0.017 0.000 1.025 57 S CB -0.423 62.793 63.200 0.026 0.000 0.902 57 S HN 0.257 nan 8.310 nan 0.000 0.440 58 L N 0.746 121.991 121.223 0.035 0.000 2.046 58 L HA -0.112 3.236 4.340 -1.653 0.000 0.208 58 L C 2.650 179.568 176.870 0.080 0.000 1.077 58 L CA 0.855 55.780 54.840 0.141 0.000 0.747 58 L CB -0.590 41.568 42.059 0.165 0.000 0.896 58 L HN 0.306 nan 8.230 nan 0.000 0.432 59 M N -0.021 119.516 119.600 -0.105 0.000 2.117 59 M HA -0.229 3.259 4.480 -1.653 0.000 0.262 59 M C 2.293 178.548 176.300 -0.074 0.000 1.065 59 M CA 1.651 56.875 55.300 -0.127 0.000 1.114 59 M CB -0.963 31.489 32.600 -0.248 0.000 1.361 59 M HN 0.191 nan 8.290 nan 0.000 0.408 60 K N 0.554 120.916 120.400 -0.063 0.000 2.074 60 K HA -0.152 3.176 4.320 -1.653 0.000 0.209 60 K C 1.802 178.342 176.600 -0.100 0.000 1.048 60 K CA 1.324 57.577 56.287 -0.057 0.000 0.926 60 K CB -0.116 32.364 32.500 -0.034 0.000 0.713 60 K HN 0.290 nan 8.250 nan 0.000 0.444 61 I N -0.052 120.424 120.570 -0.158 0.000 2.500 61 I HA -0.193 2.985 4.170 -1.653 0.000 0.252 61 I C 2.396 178.213 176.117 -0.499 0.000 1.142 61 I CA 0.520 61.646 61.300 -0.289 0.000 1.451 61 I CB -0.189 37.592 38.000 -0.365 0.000 1.093 61 I HN 0.188 nan 8.210 nan 0.000 0.430 62 S N 0.758 116.173 115.700 -0.474 0.000 2.383 62 S HA -0.228 3.250 4.470 -1.653 0.000 0.229 62 S C 1.883 176.421 174.600 -0.103 0.000 1.030 62 S CA 1.583 59.638 58.200 -0.242 0.000 1.002 62 S CB -0.196 63.034 63.200 0.051 0.000 0.829 62 S HN 0.431 nan 8.310 nan 0.000 0.467 63 E N 0.085 120.229 120.200 -0.093 0.000 2.160 63 E HA -0.187 3.171 4.350 -1.653 0.000 0.195 63 E C 2.344 178.885 176.600 -0.097 0.000 0.991 63 E CA 0.952 57.313 56.400 -0.065 0.000 0.810 63 E CB -0.097 29.569 29.700 -0.057 0.000 0.742 63 E HN 0.441 nan 8.360 nan 0.000 0.466 64 R N -0.586 119.820 120.500 -0.157 0.000 2.128 64 R HA -0.026 3.322 4.340 -1.653 0.000 0.211 64 R C 1.214 177.274 176.300 -0.400 0.000 1.067 64 R CA 0.726 56.648 56.100 -0.296 0.000 1.010 64 R CB 0.243 30.304 30.300 -0.398 0.000 0.922 64 R HN 0.156 nan 8.270 nan 0.000 0.457 65 Y N -0.634 119.569 120.300 -0.161 0.000 2.444 65 Y HA 0.366 3.923 4.550 -1.655 0.000 0.249 65 Y C 0.799 176.705 175.900 0.011 0.000 1.134 65 Y CA 0.426 58.473 58.100 -0.088 0.000 1.261 65 Y CB 1.423 39.790 38.460 -0.154 0.000 1.143 65 Y HN 0.323 nan 8.280 nan 0.000 0.523 66 G N 0.889 109.762 108.800 0.121 0.000 2.592 66 G HA2 -0.173 2.795 3.960 -1.653 0.000 0.684 66 G HA3 -0.173 2.795 3.960 -1.653 0.000 0.684 66 G C -2.221 172.820 174.900 0.235 0.000 1.291 66 G CA -0.491 44.706 45.100 0.162 0.000 0.891 66 G HN -0.054 nan 8.290 nan 0.000 0.544 67 P HA 0.173 nan 4.420 nan 0.000 0.233 67 P C 0.404 177.843 177.300 0.232 0.000 1.167 67 P CA 0.920 64.152 63.100 0.220 0.000 0.770 67 P CB 0.307 32.106 31.700 0.164 0.000 0.837 68 V N 1.963 122.019 119.914 0.237 0.000 2.419 68 V HA 0.397 3.525 4.120 -1.653 0.000 0.287 68 V C -0.378 175.728 176.094 0.020 0.000 1.017 68 V CA -0.652 61.705 62.300 0.096 0.000 0.844 68 V CB 0.773 32.694 31.823 0.164 0.000 1.011 68 V HN 0.032 nan 8.190 nan 0.000 0.429 69 F N 1.464 121.323 119.950 -0.152 0.000 2.629 69 F HA 0.877 4.410 4.527 -1.657 0.000 0.316 69 F C -0.302 175.360 175.800 -0.231 0.000 1.081 69 F CA -0.796 57.083 58.000 -0.202 0.000 0.954 69 F CB 1.800 40.726 39.000 -0.124 0.000 1.337 69 F HN 0.151 nan 8.300 nan 0.000 0.474 70 T N 3.022 117.504 114.554 -0.119 0.000 2.795 70 T HA 0.634 3.992 4.350 -1.653 0.000 0.282 70 T C -1.108 173.510 174.700 -0.137 0.000 0.980 70 T CA -0.211 61.747 62.100 -0.237 0.000 1.012 70 T CB 1.307 70.059 68.868 -0.195 0.000 0.936 70 T HN 0.645 nan 8.240 nan 0.000 0.457 71 I N 1.876 122.272 120.570 -0.290 0.000 2.892 71 I HA 0.441 3.619 4.170 -1.653 0.000 0.306 71 I C -1.181 174.693 176.117 -0.405 0.000 1.078 71 I CA -0.833 60.356 61.300 -0.184 0.000 1.032 71 I CB 1.920 39.869 38.000 -0.084 0.000 1.229 71 I HN 0.648 nan 8.210 nan 0.000 0.435 72 H N 6.372 125.368 119.070 -0.122 0.000 2.673 72 H HA 0.453 4.018 4.556 -1.653 0.000 0.293 72 H C -0.883 174.348 175.328 -0.161 0.000 1.065 72 H CA -0.385 55.581 56.048 -0.135 0.000 1.236 72 H CB 0.793 30.501 29.762 -0.090 0.000 1.389 72 H HN 0.315 nan 8.280 nan 0.000 0.481 73 L N 4.017 125.136 121.223 -0.173 0.000 2.404 73 L HA 0.197 3.545 4.340 -1.653 0.000 0.277 73 L C 1.318 177.986 176.870 -0.336 0.000 1.184 73 L CA -0.016 54.684 54.840 -0.233 0.000 1.013 73 L CB -0.594 41.307 42.059 -0.264 0.000 1.318 73 L HN 1.011 nan 8.230 nan 0.000 0.435 74 G N 4.233 112.802 108.800 -0.384 0.000 2.622 74 G HA2 -0.318 2.650 3.960 -1.653 0.000 0.307 74 G HA3 -0.318 2.650 3.960 -1.653 0.000 0.307 74 G C -1.235 173.494 174.900 -0.285 0.000 1.226 74 G CA 0.241 45.042 45.100 -0.497 0.000 0.997 74 G HN 0.536 nan 8.290 nan 0.000 0.551 75 P HA 0.007 nan 4.420 nan 0.000 0.226 75 P C 0.606 177.871 177.300 -0.059 0.000 1.153 75 P CA 0.897 63.929 63.100 -0.113 0.000 0.777 75 P CB 0.019 31.690 31.700 -0.049 0.000 0.794 76 R N 1.099 121.521 120.500 -0.130 0.000 2.248 76 R HA 0.291 3.639 4.340 -1.653 0.000 0.328 76 R C 0.544 176.725 176.300 -0.199 0.000 1.067 76 R CA -0.409 55.606 56.100 -0.141 0.000 0.924 76 R CB 0.450 30.647 30.300 -0.171 0.000 1.013 76 R HN 0.001 nan 8.270 nan 0.000 0.454 77 R N 2.821 123.198 120.500 -0.205 0.000 2.202 77 R HA 0.255 3.602 4.340 -1.653 0.000 0.334 77 R C -1.156 174.936 176.300 -0.346 0.000 1.036 77 R CA -0.300 55.578 56.100 -0.370 0.000 0.878 77 R CB 0.799 30.935 30.300 -0.274 0.000 1.067 77 R HN 0.355 nan 8.270 nan 0.000 0.457 78 V N 5.672 125.322 119.914 -0.441 0.000 2.531 78 V HA 0.270 3.398 4.120 -1.653 0.000 0.301 78 V C -0.390 175.442 176.094 -0.438 0.000 1.034 78 V CA -0.987 61.051 62.300 -0.437 0.000 0.865 78 V CB 1.920 33.353 31.823 -0.651 0.000 0.995 78 V HN 0.514 nan 8.190 nan 0.000 0.424 79 V N 5.824 125.531 119.914 -0.344 0.000 2.455 79 V HA 0.219 3.347 4.120 -1.653 0.000 0.273 79 V C 0.158 176.034 176.094 -0.363 0.000 1.045 79 V CA -0.175 61.921 62.300 -0.341 0.000 0.976 79 V CB 1.461 33.156 31.823 -0.214 0.000 0.993 79 V HN 0.631 nan 8.190 nan 0.000 0.475 80 V N 7.339 126.898 119.914 -0.592 0.000 2.383 80 V HA 0.388 3.516 4.120 -1.653 0.000 0.275 80 V C 0.002 175.866 176.094 -0.383 0.000 1.036 80 V CA -0.466 61.486 62.300 -0.581 0.000 0.889 80 V CB 1.282 32.423 31.823 -1.136 0.000 0.985 80 V HN 0.613 nan 8.190 nan 0.000 0.459 81 L N 4.953 126.075 121.223 -0.169 0.000 2.265 81 L HA 0.538 3.886 4.340 -1.653 0.000 0.289 81 L C -0.460 176.397 176.870 -0.022 0.000 1.033 81 L CA -0.157 54.642 54.840 -0.069 0.000 0.814 81 L CB 1.177 43.181 42.059 -0.092 0.000 1.203 81 L HN 0.597 nan 8.230 nan 0.000 0.423 82 C N 2.391 121.715 119.300 0.040 0.000 2.435 82 C HA 0.904 4.372 4.460 -1.653 0.000 0.333 82 C C 0.876 175.913 174.990 0.078 0.000 1.202 82 C CA -0.524 58.533 59.018 0.064 0.000 1.830 82 C CB 0.829 28.634 27.740 0.109 0.000 2.326 82 C HN 1.080 nan 8.230 nan 0.000 0.507 83 G N 1.475 110.322 108.800 0.079 0.000 2.819 83 G HA2 -0.179 2.789 3.960 -1.653 0.000 0.682 83 G HA3 -0.179 2.789 3.960 -1.653 0.000 0.682 83 G C 0.501 175.443 174.900 0.069 0.000 1.481 83 G CA 0.374 45.534 45.100 0.099 0.000 0.904 83 G HN 1.068 nan 8.290 nan 0.000 0.563 84 H N 0.844 119.894 119.070 -0.033 0.000 2.267 84 H HA -0.119 3.444 4.556 -1.655 0.000 0.297 84 H C 2.262 177.566 175.328 -0.041 0.000 1.080 84 H CA 2.692 58.656 56.048 -0.139 0.000 1.278 84 H CB -0.037 29.445 29.762 -0.466 0.000 1.365 84 H HN 0.602 nan 8.280 nan 0.000 0.489 85 D N 0.649 121.122 120.400 0.121 0.000 2.106 85 D HA -0.131 3.517 4.640 -1.653 0.000 0.191 85 D C 2.379 178.691 176.300 0.020 0.000 0.997 85 D CA 1.641 55.702 54.000 0.101 0.000 0.834 85 D CB -0.744 40.171 40.800 0.193 0.000 0.956 85 D HN 0.512 nan 8.370 nan 0.000 0.448 86 A N 0.406 123.266 122.820 0.067 0.000 1.883 86 A HA -0.184 3.144 4.320 -1.653 0.000 0.217 86 A C 2.522 180.121 177.584 0.025 0.000 1.186 86 A CA 1.677 53.797 52.037 0.139 0.000 0.624 86 A CB -0.885 18.201 19.000 0.145 0.000 0.822 86 A HN 0.169 nan 8.150 nan 0.000 0.444 87 V N -0.316 119.537 119.914 -0.101 0.000 2.307 87 V HA -0.214 2.914 4.120 -1.653 0.000 0.245 87 V C 2.666 178.610 176.094 -0.249 0.000 1.045 87 V CA 2.262 64.445 62.300 -0.194 0.000 1.024 87 V CB -0.745 30.977 31.823 -0.168 0.000 0.651 87 V HN 0.666 nan 8.190 nan 0.000 0.449 88 R N -0.060 120.262 120.500 -0.297 0.000 2.066 88 R HA -0.176 3.172 4.340 -1.653 0.000 0.232 88 R C 2.315 178.528 176.300 -0.144 0.000 1.131 88 R CA 1.820 57.763 56.100 -0.261 0.000 0.955 88 R CB -0.211 29.850 30.300 -0.397 0.000 0.851 88 R HN 0.585 nan 8.270 nan 0.000 0.432 89 E N -0.157 120.004 120.200 -0.065 0.000 2.070 89 E HA -0.250 3.108 4.350 -1.653 0.000 0.197 89 E C 1.873 178.464 176.600 -0.015 0.000 1.004 89 E CA 1.645 58.085 56.400 0.067 0.000 0.805 89 E CB -0.128 29.704 29.700 0.220 0.000 0.744 89 E HN 0.492 nan 8.360 nan 0.000 0.451 90 A N 0.396 122.996 122.820 -0.365 0.000 1.841 90 A HA -0.152 3.176 4.320 -1.653 0.000 0.214 90 A C 2.048 179.122 177.584 -0.849 0.000 1.195 90 A CA 1.173 52.406 52.037 -1.341 0.000 0.611 90 A CB -0.527 17.221 19.000 -2.087 0.000 0.835 90 A HN 0.141 nan 8.150 nan 0.000 0.443 91 L N -0.945 119.987 121.223 -0.485 0.000 2.240 91 L HA 0.002 3.350 4.340 -1.653 0.000 0.211 91 L C 2.168 178.988 176.870 -0.084 0.000 1.106 91 L CA 1.053 55.764 54.840 -0.215 0.000 0.793 91 L CB 0.025 41.985 42.059 -0.165 0.000 0.927 91 L HN 0.230 nan 8.230 nan 0.000 0.446 92 V N -1.783 118.082 119.914 -0.082 0.000 2.721 92 V HA -0.007 3.121 4.120 -1.653 0.000 0.236 92 V C 1.760 177.863 176.094 0.015 0.000 1.116 92 V CA 0.698 62.989 62.300 -0.015 0.000 1.148 92 V CB -0.294 31.525 31.823 -0.005 0.000 0.886 92 V HN 0.177 nan 8.190 nan 0.000 0.490 93 D N 0.400 120.807 120.400 0.012 0.000 2.178 93 D HA -0.133 3.515 4.640 -1.653 0.000 0.201 93 D C 1.527 177.883 176.300 0.094 0.000 0.980 93 D CA 1.205 55.239 54.000 0.057 0.000 0.842 93 D CB -0.050 40.793 40.800 0.071 0.000 0.948 93 D HN 0.462 nan 8.370 nan 0.000 0.472 94 Q N -0.495 119.366 119.800 0.103 0.000 2.354 94 Q HA 0.464 3.812 4.340 -1.653 0.000 0.372 94 Q C 0.955 177.092 176.000 0.227 0.000 0.923 94 Q CA -0.377 55.552 55.803 0.209 0.000 1.123 94 Q CB 1.269 30.242 28.738 0.392 0.000 1.298 94 Q HN 0.075 nan 8.270 nan 0.000 0.419 95 A N 0.839 123.733 122.820 0.124 0.000 1.884 95 A HA -0.300 3.028 4.320 -1.653 0.000 0.219 95 A C 1.966 179.619 177.584 0.115 0.000 1.197 95 A CA 2.227 54.325 52.037 0.102 0.000 0.637 95 A CB -0.155 18.884 19.000 0.065 0.000 0.827 95 A HN 0.463 nan 8.150 nan 0.000 0.450 96 E N -0.149 120.107 120.200 0.093 0.000 2.106 96 E HA -0.143 3.214 4.350 -1.653 0.000 0.192 96 E C 1.756 178.380 176.600 0.040 0.000 0.984 96 E CA 1.635 58.071 56.400 0.060 0.000 0.806 96 E CB -0.266 29.462 29.700 0.046 0.000 0.750 96 E HN 0.622 nan 8.360 nan 0.000 0.458 97 E N -0.830 119.406 120.200 0.059 0.000 2.150 97 E HA -0.081 3.277 4.350 -1.653 0.000 0.193 97 E C 0.784 177.244 176.600 -0.234 0.000 0.985 97 E CA 0.928 57.282 56.400 -0.076 0.000 0.814 97 E CB -0.174 29.485 29.700 -0.068 0.000 0.752 97 E HN 0.320 nan 8.360 nan 0.000 0.466 98 F N -0.434 119.473 119.950 -0.071 0.000 2.647 98 F HA 0.166 3.703 4.527 -1.649 0.000 0.300 98 F C 1.393 177.152 175.800 -0.067 0.000 1.106 98 F CA -0.046 57.894 58.000 -0.099 0.000 1.313 98 F CB 0.405 39.315 39.000 -0.150 0.000 1.007 98 F HN -0.069 nan 8.300 nan 0.000 0.536 99 S N -1.280 114.458 115.700 0.065 0.000 2.577 99 S HA 0.286 3.764 4.470 -1.653 0.000 0.219 99 S C 1.111 175.720 174.600 0.016 0.000 0.962 99 S CA -0.146 58.081 58.200 0.046 0.000 0.921 99 S CB -0.428 62.798 63.200 0.044 0.000 0.789 99 S HN 0.148 nan 8.310 nan 0.000 0.497 100 G N 1.388 110.182 108.800 -0.009 0.000 2.569 100 G HA2 0.463 3.431 3.960 -1.653 0.000 0.249 100 G HA3 0.463 3.431 3.960 -1.653 0.000 0.249 100 G C -0.461 174.441 174.900 0.003 0.000 1.216 100 G CA -0.829 44.262 45.100 -0.015 0.000 0.845 100 G HN 0.484 nan 8.290 nan 0.000 0.568 101 R N 0.343 120.848 120.500 0.009 0.000 2.346 101 R HA 0.578 3.926 4.340 -1.653 0.000 0.311 101 R C 0.681 177.011 176.300 0.050 0.000 0.983 101 R CA 0.144 56.259 56.100 0.025 0.000 0.880 101 R CB 0.861 31.169 30.300 0.014 0.000 1.100 101 R HN 0.632 nan 8.270 nan 0.000 0.453 102 G N 2.269 111.115 108.800 0.076 0.000 2.509 102 G HA2 0.272 3.240 3.960 -1.653 0.000 0.269 102 G HA3 0.272 3.240 3.960 -1.653 0.000 0.269 102 G C -0.942 174.049 174.900 0.152 0.000 1.416 102 G CA -0.704 44.455 45.100 0.098 0.000 1.052 102 G HN 0.721 nan 8.290 nan 0.000 0.542 103 E N -0.638 119.652 120.200 0.151 0.000 2.248 103 E HA 0.463 3.821 4.350 -1.653 0.000 0.272 103 E C -0.925 175.795 176.600 0.199 0.000 1.008 103 E CA -0.742 55.757 56.400 0.165 0.000 0.856 103 E CB 1.615 31.371 29.700 0.094 0.000 1.120 103 E HN 0.167 nan 8.360 nan 0.000 0.397 104 Q N 1.001 120.905 119.800 0.173 0.000 2.397 104 Q HA 0.279 3.627 4.340 -1.653 0.000 0.260 104 Q C -0.197 175.816 176.000 0.022 0.000 1.002 104 Q CA -0.382 55.481 55.803 0.101 0.000 0.716 104 Q CB 1.697 30.524 28.738 0.149 0.000 1.258 104 Q HN 0.790 nan 8.270 nan 0.000 0.477 105 A N 2.926 125.789 122.820 0.070 0.000 1.883 105 A HA -0.157 3.171 4.320 -1.653 0.000 0.217 105 A C 1.740 179.506 177.584 0.304 0.000 1.186 105 A CA 2.382 54.503 52.037 0.141 0.000 0.624 105 A CB -0.283 18.734 19.000 0.029 0.000 0.822 105 A HN 0.729 nan 8.150 nan 0.000 0.444 106 T N -0.316 114.374 114.554 0.227 0.000 2.652 106 T HA -0.160 3.198 4.350 -1.653 0.000 0.267 106 T C 1.553 176.117 174.700 -0.226 0.000 1.039 106 T CA 1.901 63.985 62.100 -0.026 0.000 1.153 106 T CB -0.518 68.176 68.868 -0.289 0.000 0.863 106 T HN 0.478 nan 8.240 nan 0.000 0.428 107 F N 1.581 121.439 119.950 -0.152 0.000 2.186 107 F HA -0.038 3.496 4.527 -1.654 0.000 0.299 107 F C 2.342 177.959 175.800 -0.305 0.000 1.090 107 F CA 0.628 58.430 58.000 -0.329 0.000 1.307 107 F CB -0.456 38.123 39.000 -0.701 0.000 1.019 107 F HN 0.070 nan 8.300 nan 0.000 0.489 108 D N -0.694 119.629 120.400 -0.127 0.000 2.265 108 D HA -0.224 3.424 4.640 -1.653 0.000 0.208 108 D C 1.704 178.007 176.300 0.004 0.000 0.977 108 D CA 0.764 54.754 54.000 -0.018 0.000 0.871 108 D CB -0.630 40.179 40.800 0.016 0.000 0.925 108 D HN 0.411 nan 8.370 nan 0.000 0.485 109 W N 0.791 121.988 121.300 -0.173 0.000 2.321 109 W HA -0.228 3.439 4.660 -1.654 0.000 0.306 109 W C 2.182 178.526 176.519 -0.293 0.000 1.217 109 W CA 1.433 58.606 57.345 -0.287 0.000 1.257 109 W CB -0.240 28.916 29.460 -0.508 0.000 1.145 109 W HN -0.113 nan 8.180 nan 0.000 0.509 110 V N -0.350 119.475 119.914 -0.149 0.000 2.575 110 V HA -0.096 3.031 4.120 -1.653 0.000 0.242 110 V C 1.914 177.792 176.094 -0.360 0.000 1.045 110 V CA 1.732 63.813 62.300 -0.365 0.000 1.065 110 V CB -0.531 31.093 31.823 -0.331 0.000 0.717 110 V HN 0.146 nan 8.190 nan 0.000 0.467 111 F N 0.412 120.399 119.950 0.061 0.000 2.234 111 F HA 0.142 3.677 4.527 -1.654 0.000 0.296 111 F C 1.595 177.509 175.800 0.191 0.000 1.089 111 F CA 0.788 58.875 58.000 0.145 0.000 1.343 111 F CB -0.197 38.924 39.000 0.202 0.000 1.040 111 F HN 0.019 nan 8.300 nan 0.000 0.498 112 K N 0.251 120.785 120.400 0.223 0.000 3.035 112 K HA -0.239 3.089 4.320 -1.653 0.000 0.262 112 K C 0.941 177.642 176.600 0.169 0.000 1.024 112 K CA 0.260 56.650 56.287 0.170 0.000 0.748 112 K CB -2.116 30.468 32.500 0.140 0.000 1.247 112 K HN 0.650 nan 8.250 nan 0.000 0.482 113 G N -1.450 107.445 108.800 0.158 0.000 2.179 113 G HA2 -0.357 2.611 3.960 -1.653 0.000 0.260 113 G HA3 -0.357 2.611 3.960 -1.653 0.000 0.260 113 G C -0.056 174.778 174.900 -0.110 0.000 0.977 113 G CA 0.656 45.761 45.100 0.010 0.000 0.641 113 G HN 0.365 nan 8.290 nan 0.000 0.533 114 Y N 0.319 120.737 120.300 0.197 0.000 2.432 114 Y HA 0.542 4.100 4.550 -1.653 0.000 0.322 114 Y C 1.223 177.219 175.900 0.160 0.000 1.246 114 Y CA 0.466 58.668 58.100 0.170 0.000 1.268 114 Y CB 1.389 39.959 38.460 0.184 0.000 1.276 114 Y HN 1.181 nan 8.280 nan 0.000 0.499 115 G N -0.143 108.800 108.800 0.239 0.000 2.796 115 G HA2 -0.209 2.759 3.960 -1.653 0.000 0.571 115 G HA3 -0.209 2.759 3.960 -1.653 0.000 0.571 115 G C 0.191 175.118 174.900 0.045 0.000 1.370 115 G CA -0.317 44.852 45.100 0.115 0.000 0.856 115 G HN 0.879 nan 8.290 nan 0.000 0.538 116 V N -0.114 119.815 119.914 0.025 0.000 2.649 116 V HA 0.025 3.153 4.120 -1.653 0.000 0.248 116 V C 2.803 178.865 176.094 -0.053 0.000 1.054 116 V CA 2.709 65.043 62.300 0.056 0.000 1.073 116 V CB -0.059 31.891 31.823 0.211 0.000 0.699 116 V HN 0.926 nan 8.190 nan 0.000 0.463 117 V N -0.375 119.391 119.914 -0.246 0.000 2.302 117 V HA -0.024 3.104 4.120 -1.653 0.000 0.243 117 V C 1.455 177.208 176.094 -0.569 0.000 1.036 117 V CA 1.747 63.727 62.300 -0.533 0.000 1.020 117 V CB -0.568 30.659 31.823 -0.993 0.000 0.657 117 V HN 0.533 nan 8.190 nan 0.000 0.453 118 F N 1.290 121.153 119.950 -0.145 0.000 2.987 118 F HA 0.403 3.938 4.527 -1.654 0.000 0.302 118 F C 0.768 176.558 175.800 -0.016 0.000 1.221 118 F CA -0.153 57.819 58.000 -0.047 0.000 1.307 118 F CB -0.070 38.946 39.000 0.027 0.000 1.108 118 F HN 0.140 nan 8.300 nan 0.000 0.521 119 S N -1.079 114.652 115.700 0.051 0.000 2.740 119 S HA 0.648 4.126 4.470 -1.653 0.000 0.300 119 S C -0.895 173.707 174.600 0.003 0.000 1.147 119 S CA -0.884 57.330 58.200 0.023 0.000 0.871 119 S CB 2.658 65.858 63.200 0.000 0.000 1.173 119 S HN 0.123 nan 8.310 nan 0.000 0.510 120 N N -1.109 117.584 118.700 -0.012 0.000 2.525 120 N HA 0.603 4.351 4.740 -1.653 0.000 0.270 120 N C 0.580 176.082 175.510 -0.014 0.000 1.321 120 N CA 0.306 53.349 53.050 -0.010 0.000 0.797 120 N CB 1.720 40.201 38.487 -0.009 0.000 1.529 120 N HN 1.172 nan 8.380 nan 0.000 0.491 121 G N 1.559 110.354 108.800 -0.008 0.000 2.672 121 G HA2 -0.414 2.554 3.960 -1.653 0.000 0.324 121 G HA3 -0.414 2.554 3.960 -1.653 0.000 0.324 121 G C 0.970 175.868 174.900 -0.004 0.000 1.286 121 G CA 1.410 46.507 45.100 -0.006 0.000 1.004 121 G HN 0.669 nan 8.290 nan 0.000 0.548 122 E N 0.217 120.415 120.200 -0.004 0.000 2.077 122 E HA -0.072 3.286 4.350 -1.653 0.000 0.193 122 E C 2.540 179.128 176.600 -0.021 0.000 0.989 122 E CA 1.943 58.342 56.400 -0.003 0.000 0.800 122 E CB -0.339 29.364 29.700 0.006 0.000 0.746 122 E HN 0.569 nan 8.360 nan 0.000 0.452 123 R N -0.141 120.341 120.500 -0.029 0.000 2.097 123 R HA -0.223 3.125 4.340 -1.653 0.000 0.236 123 R C 2.268 178.538 176.300 -0.051 0.000 1.135 123 R CA 1.963 58.029 56.100 -0.057 0.000 0.934 123 R CB -0.651 29.618 30.300 -0.052 0.000 0.846 123 R HN 0.278 nan 8.270 nan 0.000 0.431 124 A N 0.929 123.736 122.820 -0.021 0.000 1.883 124 A HA -0.241 3.087 4.320 -1.653 0.000 0.217 124 A C 2.072 179.665 177.584 0.014 0.000 1.186 124 A CA 1.967 54.005 52.037 0.003 0.000 0.624 124 A CB -0.565 18.439 19.000 0.007 0.000 0.822 124 A HN 0.302 nan 8.150 nan 0.000 0.444 125 K N -0.575 119.830 120.400 0.008 0.000 2.044 125 K HA -0.219 3.109 4.320 -1.653 0.000 0.210 125 K C 2.205 178.819 176.600 0.025 0.000 1.049 125 K CA 2.194 58.491 56.287 0.017 0.000 0.927 125 K CB -0.402 32.108 32.500 0.016 0.000 0.713 125 K HN 0.445 nan 8.250 nan 0.000 0.443 126 Q N 0.080 119.881 119.800 0.001 0.000 1.990 126 Q HA 0.020 3.368 4.340 -1.653 0.000 0.200 126 Q C 2.076 178.106 176.000 0.051 0.000 0.980 126 Q CA 1.851 57.662 55.803 0.013 0.000 0.832 126 Q CB -0.276 28.379 28.738 -0.138 0.000 0.897 126 Q HN 0.362 nan 8.270 nan 0.000 0.427 127 L N -0.228 120.971 121.223 -0.039 0.000 2.042 127 L HA -0.196 3.152 4.340 -1.653 0.000 0.210 127 L C 2.613 179.589 176.870 0.177 0.000 1.076 127 L CA 1.623 56.522 54.840 0.097 0.000 0.749 127 L CB -0.491 41.617 42.059 0.080 0.000 0.893 127 L HN 0.216 nan 8.230 nan 0.000 0.432 128 R N 0.261 120.808 120.500 0.078 0.000 2.083 128 R HA -0.199 3.149 4.340 -1.653 0.000 0.237 128 R C 2.553 178.766 176.300 -0.146 0.000 1.137 128 R CA 1.549 57.614 56.100 -0.058 0.000 0.951 128 R CB -0.170 30.128 30.300 -0.002 0.000 0.851 128 R HN 0.204 nan 8.270 nan 0.000 0.434 129 R N -0.539 119.957 120.500 -0.007 0.000 2.073 129 R HA -0.189 3.159 4.340 -1.653 0.000 0.234 129 R C 2.178 178.502 176.300 0.039 0.000 1.134 129 R CA 1.963 58.064 56.100 0.001 0.000 0.952 129 R CB -0.439 29.895 30.300 0.057 0.000 0.850 129 R HN 0.286 nan 8.270 nan 0.000 0.433 130 F N 0.975 120.948 119.950 0.039 0.000 2.134 130 F HA -0.152 3.383 4.527 -1.654 0.000 0.299 130 F C 2.230 178.093 175.800 0.104 0.000 1.097 130 F CA 1.722 59.765 58.000 0.072 0.000 1.264 130 F CB -0.169 38.954 39.000 0.205 0.000 1.001 130 F HN -0.032 nan 8.300 nan 0.000 0.479 131 S N 1.061 116.892 115.700 0.219 0.000 2.355 131 S HA -0.146 3.332 4.470 -1.653 0.000 0.222 131 S C 2.092 176.651 174.600 -0.069 0.000 1.031 131 S CA 1.560 59.914 58.200 0.256 0.000 0.993 131 S CB -0.519 62.836 63.200 0.258 0.000 0.859 131 S HN 0.399 nan 8.310 nan 0.000 0.453 132 I N 1.826 122.167 120.570 -0.382 0.000 2.151 132 I HA -0.288 2.890 4.170 -1.653 0.000 0.243 132 I C 2.682 178.709 176.117 -0.151 0.000 1.080 132 I CA 1.350 62.459 61.300 -0.319 0.000 1.339 132 I CB -0.482 37.299 38.000 -0.365 0.000 1.039 132 I HN 0.280 nan 8.210 nan 0.000 0.409 133 A N -0.021 122.692 122.820 -0.178 0.000 1.930 133 A HA -0.168 3.160 4.320 -1.653 0.000 0.217 133 A C 2.365 179.835 177.584 -0.190 0.000 1.175 133 A CA 2.279 54.209 52.037 -0.178 0.000 0.627 133 A CB -0.938 17.940 19.000 -0.204 0.000 0.815 133 A HN 0.401 nan 8.150 nan 0.000 0.443 134 T N 0.214 114.612 114.554 -0.259 0.000 2.812 134 T HA -0.047 3.311 4.350 -1.653 0.000 0.264 134 T C 1.719 176.548 174.700 0.215 0.000 1.042 134 T CA 1.167 63.194 62.100 -0.121 0.000 1.140 134 T CB -0.267 68.376 68.868 -0.375 0.000 0.870 134 T HN 0.178 nan 8.240 nan 0.000 0.445 135 L N 1.289 122.634 121.223 0.203 0.000 2.079 135 L HA -0.029 3.319 4.340 -1.653 0.000 0.210 135 L C 2.481 179.429 176.870 0.130 0.000 1.081 135 L CA 1.577 56.538 54.840 0.202 0.000 0.752 135 L CB -0.917 41.233 42.059 0.150 0.000 0.896 135 L HN 0.176 nan 8.230 nan 0.000 0.433 136 R N -0.494 120.031 120.500 0.041 0.000 2.070 136 R HA -0.150 3.198 4.340 -1.653 0.000 0.233 136 R C 1.866 178.143 176.300 -0.039 0.000 1.137 136 R CA 1.505 57.602 56.100 -0.006 0.000 0.945 136 R CB -0.375 29.901 30.300 -0.040 0.000 0.845 136 R HN 0.344 nan 8.270 nan 0.000 0.430 137 D N -0.081 120.262 120.400 -0.095 0.000 2.228 137 D HA -0.178 3.470 4.640 -1.653 0.000 0.203 137 D C 0.986 177.059 176.300 -0.378 0.000 0.988 137 D CA 1.264 55.121 54.000 -0.238 0.000 0.864 137 D CB -0.111 40.496 40.800 -0.320 0.000 0.928 137 D HN 0.194 nan 8.370 nan 0.000 0.469 138 F N -0.644 119.299 119.950 -0.011 0.000 2.692 138 F HA 0.323 3.857 4.527 -1.654 0.000 0.303 138 F C 1.868 177.672 175.800 0.005 0.000 1.114 138 F CA 0.226 58.233 58.000 0.011 0.000 1.361 138 F CB 0.541 39.568 39.000 0.044 0.000 1.063 138 F HN 0.040 nan 8.300 nan 0.000 0.550 139 G N -0.375 108.465 108.800 0.066 0.000 2.179 139 G HA2 -0.240 2.728 3.960 -1.653 0.000 0.220 139 G HA3 -0.240 2.728 3.960 -1.653 0.000 0.220 139 G C 0.131 175.044 174.900 0.020 0.000 0.990 139 G CA -0.113 45.007 45.100 0.033 0.000 0.646 139 G HN 0.066 nan 8.290 nan 0.000 0.517 140 V N 0.990 120.926 119.914 0.037 0.000 2.673 140 V HA 0.434 3.562 4.120 -1.653 0.000 0.303 140 V C 1.976 178.057 176.094 -0.021 0.000 1.046 140 V CA 1.634 63.937 62.300 0.006 0.000 1.126 140 V CB 0.816 32.658 31.823 0.031 0.000 0.934 140 V HN 2.002 nan 8.190 nan 0.000 0.487 141 G N 3.600 112.365 108.800 -0.058 0.000 2.184 141 G HA2 -0.237 2.731 3.960 -1.653 0.000 0.264 141 G HA3 -0.237 2.731 3.960 -1.653 0.000 0.264 141 G C 0.149 175.026 174.900 -0.039 0.000 0.975 141 G CA 0.674 45.740 45.100 -0.057 0.000 0.642 141 G HN 0.655 nan 8.290 nan 0.000 0.536 142 K N -1.508 118.868 120.400 -0.040 0.000 2.261 142 K HA 0.600 3.928 4.320 -1.653 0.000 0.242 142 K C 1.245 177.833 176.600 -0.020 0.000 1.083 142 K CA -0.642 55.633 56.287 -0.020 0.000 0.880 142 K CB 1.166 33.656 32.500 -0.017 0.000 1.353 142 K HN 0.004 nan 8.250 nan 0.000 0.486 143 R N 0.733 121.230 120.500 -0.005 0.000 2.091 143 R HA -0.132 3.216 4.340 -1.653 0.000 0.238 143 R C 1.793 178.092 176.300 -0.001 0.000 1.136 143 R CA 2.201 58.303 56.100 0.002 0.000 0.959 143 R CB -0.777 29.527 30.300 0.008 0.000 0.856 143 R HN 0.885 nan 8.270 nan 0.000 0.437 144 G N 1.090 109.890 108.800 0.000 0.000 2.446 144 G HA2 -0.271 2.697 3.960 -1.653 0.000 0.217 144 G HA3 -0.271 2.697 3.960 -1.653 0.000 0.217 144 G C 1.291 176.200 174.900 0.015 0.000 1.168 144 G CA 0.779 45.886 45.100 0.011 0.000 0.771 144 G HN 0.304 nan 8.290 nan 0.000 0.551 145 I N 0.424 120.997 120.570 0.004 0.000 2.500 145 I HA 0.045 3.223 4.170 -1.653 0.000 0.252 145 I C 2.467 178.559 176.117 -0.041 0.000 1.142 145 I CA 0.692 61.989 61.300 -0.005 0.000 1.451 145 I CB -0.180 37.814 38.000 -0.009 0.000 1.093 145 I HN 0.296 nan 8.210 nan 0.000 0.430 146 E N 0.451 120.617 120.200 -0.057 0.000 2.038 146 E HA -0.255 3.103 4.350 -1.653 0.000 0.195 146 E C 1.905 178.487 176.600 -0.029 0.000 1.000 146 E CA 1.496 57.860 56.400 -0.060 0.000 0.803 146 E CB 0.053 29.737 29.700 -0.027 0.000 0.750 146 E HN 0.452 nan 8.360 nan 0.000 0.448 147 E N 0.334 120.528 120.200 -0.010 0.000 2.077 147 E HA -0.225 3.133 4.350 -1.653 0.000 0.193 147 E C 2.165 178.760 176.600 -0.008 0.000 0.989 147 E CA 0.890 57.286 56.400 -0.006 0.000 0.800 147 E CB -0.406 29.297 29.700 0.004 0.000 0.746 147 E HN 0.094 nan 8.360 nan 0.000 0.452 148 R N 1.193 121.698 120.500 0.008 0.000 2.083 148 R HA -0.090 3.258 4.340 -1.653 0.000 0.237 148 R C 2.409 178.732 176.300 0.037 0.000 1.137 148 R CA 1.198 57.317 56.100 0.032 0.000 0.951 148 R CB -0.657 29.677 30.300 0.056 0.000 0.851 148 R HN 0.176 nan 8.270 nan 0.000 0.434 149 I N 0.380 120.949 120.570 -0.002 0.000 2.179 149 I HA -0.330 2.848 4.170 -1.653 0.000 0.242 149 I C 2.415 178.509 176.117 -0.039 0.000 1.088 149 I CA 1.632 62.903 61.300 -0.049 0.000 1.357 149 I CB -0.396 37.463 38.000 -0.236 0.000 1.051 149 I HN 0.320 nan 8.210 nan 0.000 0.409 150 Q N 0.293 120.063 119.800 -0.051 0.000 2.096 150 Q HA -0.283 3.065 4.340 -1.653 0.000 0.204 150 Q C 2.188 178.143 176.000 -0.074 0.000 0.982 150 Q CA 1.816 57.598 55.803 -0.035 0.000 0.850 150 Q CB -0.241 28.482 28.738 -0.024 0.000 0.901 150 Q HN 0.522 nan 8.270 nan 0.000 0.422 151 E N 0.753 120.881 120.200 -0.119 0.000 2.051 151 E HA -0.256 3.102 4.350 -1.653 0.000 0.192 151 E C 1.837 178.155 176.600 -0.469 0.000 0.991 151 E CA 1.163 57.371 56.400 -0.320 0.000 0.799 151 E CB 0.127 29.686 29.700 -0.233 0.000 0.748 151 E HN 0.158 nan 8.360 nan 0.000 0.449 152 E N 0.253 120.407 120.200 -0.078 0.000 2.110 152 E HA -0.124 3.234 4.350 -1.653 0.000 0.193 152 E C 1.694 178.465 176.600 0.286 0.000 0.988 152 E CA 1.279 57.788 56.400 0.181 0.000 0.804 152 E CB -0.288 29.638 29.700 0.376 0.000 0.745 152 E HN 0.355 nan 8.360 nan 0.000 0.458 153 A N 0.027 123.063 122.820 0.360 0.000 1.940 153 A HA -0.090 3.238 4.320 -1.653 0.000 0.219 153 A C 2.426 180.122 177.584 0.187 0.000 1.176 153 A CA 1.812 54.085 52.037 0.394 0.000 0.631 153 A CB -1.239 17.960 19.000 0.333 0.000 0.814 153 A HN 0.401 nan 8.150 nan 0.000 0.446 154 G N -1.154 107.658 108.800 0.020 0.000 2.418 154 G HA2 -0.170 2.798 3.960 -1.653 0.000 0.217 154 G HA3 -0.170 2.798 3.960 -1.653 0.000 0.217 154 G C 1.455 176.422 174.900 0.110 0.000 1.158 154 G CA 0.960 46.047 45.100 -0.021 0.000 0.771 154 G HN 0.543 nan 8.290 nan 0.000 0.545 155 F N -0.132 119.901 119.950 0.138 0.000 2.171 155 F HA -0.029 3.506 4.527 -1.653 0.000 0.300 155 F C 2.463 178.434 175.800 0.285 0.000 1.090 155 F CA 0.161 58.240 58.000 0.131 0.000 1.293 155 F CB -0.163 38.824 39.000 -0.023 0.000 1.013 155 F HN 0.134 nan 8.300 nan 0.000 0.486 156 L N 0.714 122.196 121.223 0.432 0.000 1.994 156 L HA -0.221 3.127 4.340 -1.653 0.000 0.208 156 L C 2.191 179.171 176.870 0.184 0.000 1.071 156 L CA 1.632 56.632 54.840 0.267 0.000 0.745 156 L CB -0.874 41.245 42.059 0.100 0.000 0.892 156 L HN -0.010 nan 8.230 nan 0.000 0.431 157 I N 0.134 120.827 120.570 0.206 0.000 2.118 157 I HA -0.327 2.851 4.170 -1.653 0.000 0.241 157 I C 2.288 178.555 176.117 0.250 0.000 1.070 157 I CA 1.577 63.027 61.300 0.249 0.000 1.327 157 I CB -1.710 36.392 38.000 0.171 0.000 1.034 157 I HN 0.318 nan 8.210 nan 0.000 0.405 158 D N 1.127 121.667 120.400 0.234 0.000 2.106 158 D HA -0.162 3.486 4.640 -1.653 0.000 0.191 158 D C 2.282 178.704 176.300 0.203 0.000 0.997 158 D CA 1.854 55.986 54.000 0.219 0.000 0.834 158 D CB -0.271 40.678 40.800 0.248 0.000 0.956 158 D HN 0.361 nan 8.370 nan 0.000 0.448 159 A N 0.538 123.507 122.820 0.248 0.000 1.908 159 A HA -0.137 3.191 4.320 -1.653 0.000 0.218 159 A C 2.397 180.025 177.584 0.073 0.000 1.181 159 A CA 1.060 53.251 52.037 0.257 0.000 0.627 159 A CB -0.796 18.445 19.000 0.402 0.000 0.818 159 A HN 0.237 nan 8.150 nan 0.000 0.445 160 L N -1.334 119.822 121.223 -0.111 0.000 2.156 160 L HA -0.126 3.222 4.340 -1.653 0.000 0.208 160 L C 2.840 179.552 176.870 -0.262 0.000 1.095 160 L CA 0.903 55.460 54.840 -0.471 0.000 0.770 160 L CB -0.451 41.043 42.059 -0.942 0.000 0.914 160 L HN 0.367 nan 8.230 nan 0.000 0.439 161 R N 0.059 120.604 120.500 0.074 0.000 2.075 161 R HA -0.082 3.266 4.340 -1.653 0.000 0.232 161 R C 2.317 178.663 176.300 0.077 0.000 1.126 161 R CA 1.292 57.492 56.100 0.167 0.000 0.963 161 R CB -0.693 29.738 30.300 0.220 0.000 0.858 161 R HN 0.390 nan 8.270 nan 0.000 0.435 162 G N 0.639 109.484 108.800 0.075 0.000 2.501 162 G HA2 -0.281 2.687 3.960 -1.653 0.000 0.220 162 G HA3 -0.281 2.687 3.960 -1.653 0.000 0.220 162 G C 1.470 176.400 174.900 0.051 0.000 1.114 162 G CA 1.402 46.548 45.100 0.076 0.000 0.757 162 G HN 0.470 nan 8.290 nan 0.000 0.559 163 T N -2.299 112.249 114.554 -0.009 0.000 2.995 163 T HA 0.267 3.625 4.350 -1.653 0.000 0.269 163 T C 1.976 176.666 174.700 -0.017 0.000 1.091 163 T CA 1.062 63.138 62.100 -0.039 0.000 1.128 163 T CB -0.327 68.432 68.868 -0.182 0.000 0.891 163 T HN 1.347 nan 8.240 nan 0.000 0.492 164 G N 0.889 109.689 108.800 -0.000 0.000 2.246 164 G HA2 0.121 3.089 3.960 -1.653 0.000 0.273 164 G HA3 0.121 3.089 3.960 -1.653 0.000 0.273 164 G C 1.123 176.033 174.900 0.016 0.000 1.055 164 G CA 0.492 45.606 45.100 0.023 0.000 0.851 164 G HN 1.777 nan 8.290 nan 0.000 0.500 165 G N -1.852 106.947 108.800 -0.001 0.000 2.189 165 G HA2 0.127 3.094 3.960 -1.653 0.000 0.267 165 G HA3 0.127 3.094 3.960 -1.653 0.000 0.267 165 G C 0.968 175.853 174.900 -0.025 0.000 0.975 165 G CA 1.251 46.349 45.100 -0.004 0.000 0.644 165 G HN 2.369 nan 8.290 nan 0.000 0.537 166 A N -0.285 122.518 122.820 -0.028 0.000 2.445 166 A HA 0.561 3.889 4.320 -1.653 0.000 0.242 166 A C 0.546 178.103 177.584 -0.046 0.000 1.075 166 A CA 0.361 52.382 52.037 -0.027 0.000 0.777 166 A CB 0.146 19.137 19.000 -0.014 0.000 1.013 166 A HN 0.554 nan 8.150 nan 0.000 0.493 167 N N -0.113 118.565 118.700 -0.037 0.000 2.440 167 N HA 0.380 4.128 4.740 -1.653 0.000 0.265 167 N C -0.358 175.133 175.510 -0.032 0.000 1.239 167 N CA 0.704 53.729 53.050 -0.042 0.000 0.909 167 N CB -0.143 38.327 38.487 -0.028 0.000 1.066 167 N HN 0.596 nan 8.380 nan 0.000 0.474 168 I N -1.882 118.660 120.570 -0.046 0.000 3.095 168 I HA 0.490 3.668 4.170 -1.653 0.000 0.310 168 I C -0.960 175.139 176.117 -0.030 0.000 1.196 168 I CA -1.181 60.108 61.300 -0.019 0.000 0.985 168 I CB 1.981 39.948 38.000 -0.056 0.000 1.250 168 I HN 0.119 nan 8.210 nan 0.000 0.446 169 D N 4.979 125.392 120.400 0.021 0.000 2.352 169 D HA 0.316 3.963 4.640 -1.653 0.000 0.245 169 D C -1.563 174.763 176.300 0.044 0.000 1.224 169 D CA -2.285 51.691 54.000 -0.039 0.000 0.879 169 D CB 1.374 42.174 40.800 0.001 0.000 1.057 169 D HN 0.391 nan 8.370 nan 0.000 0.491 170 P HA -0.104 nan 4.420 nan 0.000 0.226 170 P C 1.200 178.532 177.300 0.054 0.000 1.153 170 P CA 0.542 63.670 63.100 0.046 0.000 0.777 170 P CB 0.261 31.991 31.700 0.050 0.000 0.794 171 T N 0.558 115.050 114.554 -0.103 0.000 2.536 171 T HA -0.211 3.147 4.350 -1.653 0.000 0.263 171 T C 1.406 175.855 174.700 -0.417 0.000 1.115 171 T CA 1.833 63.751 62.100 -0.303 0.000 1.180 171 T CB -1.079 67.519 68.868 -0.450 0.000 0.864 171 T HN 0.098 nan 8.240 nan 0.000 0.419 172 F N -0.302 119.543 119.950 -0.176 0.000 2.615 172 F HA 0.258 3.795 4.527 -1.650 0.000 0.297 172 F C 1.818 177.379 175.800 -0.399 0.000 1.124 172 F CA 0.016 57.820 58.000 -0.327 0.000 1.451 172 F CB -0.556 38.201 39.000 -0.405 0.000 1.103 172 F HN 0.093 nan 8.300 nan 0.000 0.569 173 F N 0.191 120.041 119.950 -0.166 0.000 2.113 173 F HA -0.187 3.348 4.527 -1.654 0.000 0.297 173 F C 2.110 177.724 175.800 -0.309 0.000 1.103 173 F CA 1.351 59.193 58.000 -0.263 0.000 1.248 173 F CB -0.763 38.096 39.000 -0.235 0.000 0.999 173 F HN -0.140 nan 8.300 nan 0.000 0.475 174 L N -0.595 120.592 121.223 -0.061 0.000 2.072 174 L HA -0.165 3.183 4.340 -1.653 0.000 0.205 174 L C 2.648 179.379 176.870 -0.231 0.000 1.079 174 L CA 1.400 56.150 54.840 -0.151 0.000 0.752 174 L CB -1.012 41.011 42.059 -0.059 0.000 0.906 174 L HN 0.207 nan 8.230 nan 0.000 0.436 175 S N -0.078 115.464 115.700 -0.263 0.000 2.368 175 S HA -0.177 3.301 4.470 -1.653 0.000 0.224 175 S C 2.124 176.581 174.600 -0.237 0.000 1.029 175 S CA 0.609 58.635 58.200 -0.291 0.000 0.988 175 S CB -0.376 62.571 63.200 -0.421 0.000 0.838 175 S HN 0.294 nan 8.310 nan 0.000 0.462 176 R N 0.709 121.033 120.500 -0.293 0.000 2.113 176 R HA -0.096 3.252 4.340 -1.653 0.000 0.244 176 R C 2.516 178.892 176.300 0.128 0.000 1.142 176 R CA 2.122 58.097 56.100 -0.208 0.000 0.953 176 R CB -1.084 28.903 30.300 -0.521 0.000 0.860 176 R HN 0.527 nan 8.270 nan 0.000 0.438 177 T N 0.307 114.824 114.554 -0.061 0.000 2.812 177 T HA -0.060 3.298 4.350 -1.653 0.000 0.264 177 T C 1.968 176.668 174.700 0.000 0.000 1.042 177 T CA 1.159 63.267 62.100 0.014 0.000 1.140 177 T CB -0.079 68.622 68.868 -0.278 0.000 0.870 177 T HN -0.001 nan 8.240 nan 0.000 0.445 178 V N 1.139 120.988 119.914 -0.107 0.000 2.307 178 V HA -0.149 2.979 4.120 -1.653 0.000 0.245 178 V C 2.721 178.913 176.094 0.163 0.000 1.045 178 V CA 1.801 64.126 62.300 0.041 0.000 1.024 178 V CB -0.838 30.962 31.823 -0.038 0.000 0.651 178 V HN 0.436 nan 8.190 nan 0.000 0.449 179 S N 0.210 116.010 115.700 0.166 0.000 2.383 179 S HA -0.230 3.248 4.470 -1.653 0.000 0.229 179 S C 1.898 176.774 174.600 0.460 0.000 1.030 179 S CA 1.722 60.105 58.200 0.305 0.000 1.002 179 S CB -0.493 62.939 63.200 0.387 0.000 0.829 179 S HN 0.613 nan 8.310 nan 0.000 0.467 180 N N 0.750 119.731 118.700 0.469 0.000 2.381 180 N HA -0.027 3.721 4.740 -1.653 0.000 0.182 180 N C 1.506 177.198 175.510 0.303 0.000 1.025 180 N CA 0.820 54.115 53.050 0.409 0.000 0.888 180 N CB -0.396 38.342 38.487 0.418 0.000 0.965 180 N HN 0.275 nan 8.380 nan 0.000 0.438 181 V N 0.760 120.848 119.914 0.290 0.000 2.221 181 V HA -0.161 2.967 4.120 -1.653 0.000 0.242 181 V C 2.224 178.415 176.094 0.161 0.000 1.041 181 V CA 1.131 63.563 62.300 0.221 0.000 0.995 181 V CB -0.545 31.420 31.823 0.236 0.000 0.635 181 V HN 0.149 nan 8.190 nan 0.000 0.448 182 I N 0.321 120.988 120.570 0.161 0.000 2.335 182 I HA -0.218 2.960 4.170 -1.653 0.000 0.251 182 I C 2.509 178.667 176.117 0.068 0.000 1.129 182 I CA 1.554 62.916 61.300 0.102 0.000 1.402 182 I CB -0.302 37.758 38.000 0.100 0.000 1.069 182 I HN 0.240 nan 8.210 nan 0.000 0.424 183 S N -0.231 115.601 115.700 0.221 0.000 2.370 183 S HA -0.218 3.260 4.470 -1.653 0.000 0.226 183 S C 2.172 176.787 174.600 0.025 0.000 1.033 183 S CA 1.630 59.957 58.200 0.212 0.000 1.011 183 S CB -0.467 63.080 63.200 0.578 0.000 0.852 183 S HN 0.537 nan 8.310 nan 0.000 0.457 184 S N 1.374 117.112 115.700 0.063 0.000 2.365 184 S HA -0.092 3.386 4.470 -1.653 0.000 0.225 184 S C 1.780 176.351 174.600 -0.048 0.000 1.039 184 S CA 1.371 59.586 58.200 0.025 0.000 1.033 184 S CB -0.437 62.807 63.200 0.074 0.000 0.887 184 S HN 0.442 nan 8.310 nan 0.000 0.447 185 I N 1.158 121.683 120.570 -0.076 0.000 2.202 185 I HA -0.132 3.046 4.170 -1.653 0.000 0.242 185 I C 2.374 178.288 176.117 -0.339 0.000 1.091 185 I CA 1.151 62.342 61.300 -0.182 0.000 1.368 185 I CB -0.496 37.464 38.000 -0.068 0.000 1.058 185 I HN 0.274 nan 8.210 nan 0.000 0.410 186 V N -2.277 117.421 119.914 -0.361 0.000 2.535 186 V HA -0.054 3.074 4.120 -1.653 0.000 0.246 186 V C 1.834 177.656 176.094 -0.453 0.000 1.045 186 V CA 1.287 63.294 62.300 -0.487 0.000 1.058 186 V CB -0.696 30.673 31.823 -0.757 0.000 0.689 186 V HN 0.226 nan 8.190 nan 0.000 0.461 187 F N 1.594 121.478 119.950 -0.111 0.000 2.704 187 F HA 0.720 4.255 4.527 -1.653 0.000 0.304 187 F C 2.006 177.705 175.800 -0.169 0.000 1.094 187 F CA -0.073 57.829 58.000 -0.163 0.000 1.275 187 F CB 0.217 39.066 39.000 -0.251 0.000 1.073 187 F HN 0.394 nan 8.300 nan 0.000 0.586 188 G N 0.613 109.395 108.800 -0.030 0.000 2.258 188 G HA2 -0.235 2.733 3.960 -1.653 0.000 0.233 188 G HA3 -0.235 2.733 3.960 -1.653 0.000 0.233 188 G C -0.249 174.641 174.900 -0.016 0.000 1.006 188 G CA 0.181 45.265 45.100 -0.027 0.000 0.620 188 G HN 0.532 nan 8.290 nan 0.000 0.511 189 D N -1.845 118.530 120.400 -0.042 0.000 2.710 189 D HA 0.526 4.174 4.640 -1.653 0.000 0.276 189 D C 0.065 176.298 176.300 -0.112 0.000 1.267 189 D CA -0.544 53.424 54.000 -0.054 0.000 0.772 189 D CB 0.064 40.824 40.800 -0.066 0.000 1.299 189 D HN 0.612 nan 8.370 nan 0.000 0.421 190 R N -0.305 120.149 120.500 -0.076 0.000 2.615 190 R HA 0.522 3.870 4.340 -1.653 0.000 0.270 190 R C -0.719 175.433 176.300 -0.247 0.000 1.081 190 R CA -0.664 55.393 56.100 -0.073 0.000 1.154 190 R CB 0.318 30.645 30.300 0.044 0.000 1.063 190 R HN 0.283 nan 8.270 nan 0.000 0.519 191 F N 0.591 120.343 119.950 -0.329 0.000 2.412 191 F HA 0.064 3.598 4.527 -1.654 0.000 0.348 191 F C 1.214 176.832 175.800 -0.303 0.000 1.102 191 F CA -0.233 57.470 58.000 -0.496 0.000 1.196 191 F CB 0.532 38.736 39.000 -1.327 0.000 1.144 191 F HN 0.547 nan 8.300 nan 0.000 0.541 192 D N 1.825 122.223 120.400 -0.003 0.000 2.525 192 D HA -0.164 3.484 4.640 -1.653 0.000 0.235 192 D C 0.746 177.191 176.300 0.241 0.000 1.137 192 D CA 0.420 54.430 54.000 0.018 0.000 0.868 192 D CB 0.473 41.279 40.800 0.010 0.000 1.180 192 D HN 0.417 nan 8.370 nan 0.000 0.465 193 Y N 2.324 122.677 120.300 0.087 0.000 2.497 193 Y HA -0.070 3.488 4.550 -1.653 0.000 0.292 193 Y C 2.049 177.992 175.900 0.072 0.000 1.137 193 Y CA 0.589 58.775 58.100 0.143 0.000 1.285 193 Y CB 0.036 38.531 38.460 0.059 0.000 0.991 193 Y HN 0.330 nan 8.280 nan 0.000 0.556 194 K N -0.041 120.469 120.400 0.183 0.000 2.379 194 K HA -0.011 3.317 4.320 -1.653 0.000 0.194 194 K C 0.047 176.688 176.600 0.069 0.000 1.031 194 K CA 0.067 56.401 56.287 0.078 0.000 1.037 194 K CB -0.122 32.402 32.500 0.041 0.000 0.824 194 K HN 0.155 nan 8.250 nan 0.000 0.516 195 D N 2.404 122.881 120.400 0.129 0.000 2.479 195 D HA -0.073 3.575 4.640 -1.653 0.000 0.257 195 D C 0.764 177.112 176.300 0.079 0.000 1.230 195 D CA 0.522 54.598 54.000 0.126 0.000 0.912 195 D CB 0.741 41.666 40.800 0.209 0.000 1.130 195 D HN -0.039 nan 8.370 nan 0.000 0.515 196 K N 3.106 123.514 120.400 0.014 0.000 2.228 196 K HA -0.125 3.203 4.320 -1.653 0.000 0.202 196 K C 1.631 178.189 176.600 -0.069 0.000 1.051 196 K CA 0.433 56.690 56.287 -0.050 0.000 0.960 196 K CB 0.223 32.691 32.500 -0.053 0.000 0.743 196 K HN 0.553 nan 8.250 nan 0.000 0.458 197 E N 0.505 120.690 120.200 -0.024 0.000 2.110 197 E HA -0.199 3.159 4.350 -1.653 0.000 0.193 197 E C 1.777 178.300 176.600 -0.129 0.000 0.988 197 E CA 0.773 57.139 56.400 -0.056 0.000 0.804 197 E CB -0.059 29.645 29.700 0.007 0.000 0.745 197 E HN 0.153 nan 8.360 nan 0.000 0.458 198 F N 1.432 121.206 119.950 -0.294 0.000 2.075 198 F HA -0.176 3.359 4.527 -1.654 0.000 0.297 198 F C 2.011 177.583 175.800 -0.381 0.000 1.113 198 F CA 1.301 58.995 58.000 -0.511 0.000 1.218 198 F CB -0.836 37.908 39.000 -0.426 0.000 0.984 198 F HN 0.160 nan 8.300 nan 0.000 0.472 199 L N -0.184 120.807 121.223 -0.387 0.000 2.127 199 L HA -0.147 3.201 4.340 -1.653 0.000 0.211 199 L C 2.547 179.177 176.870 -0.400 0.000 1.089 199 L CA 2.144 56.680 54.840 -0.507 0.000 0.757 199 L CB -1.374 40.400 42.059 -0.476 0.000 0.899 199 L HN 0.284 nan 8.230 nan 0.000 0.434 200 S N -0.763 114.768 115.700 -0.281 0.000 2.348 200 S HA -0.182 3.296 4.470 -1.653 0.000 0.221 200 S C 2.004 176.494 174.600 -0.184 0.000 1.033 200 S CA 1.782 59.858 58.200 -0.208 0.000 1.010 200 S CB -0.422 62.689 63.200 -0.148 0.000 0.891 200 S HN 0.528 nan 8.310 nan 0.000 0.442 201 L N 1.113 122.208 121.223 -0.213 0.000 2.042 201 L HA -0.107 3.241 4.340 -1.653 0.000 0.210 201 L C 2.462 179.218 176.870 -0.190 0.000 1.076 201 L CA 1.170 55.914 54.840 -0.160 0.000 0.749 201 L CB -0.625 41.343 42.059 -0.152 0.000 0.893 201 L HN 0.331 nan 8.230 nan 0.000 0.432 202 L N -0.775 120.287 121.223 -0.268 0.000 2.083 202 L HA -0.177 3.171 4.340 -1.653 0.000 0.209 202 L C 2.852 179.712 176.870 -0.016 0.000 1.083 202 L CA 1.141 55.849 54.840 -0.221 0.000 0.752 202 L CB -0.537 41.386 42.059 -0.226 0.000 0.899 202 L HN 0.210 nan 8.230 nan 0.000 0.433 203 R N -0.255 120.246 120.500 0.003 0.000 2.092 203 R HA -0.108 3.240 4.340 -1.653 0.000 0.231 203 R C 2.292 178.595 176.300 0.005 0.000 1.119 203 R CA 1.326 57.454 56.100 0.047 0.000 0.970 203 R CB -0.312 29.932 30.300 -0.094 0.000 0.864 203 R HN 0.394 nan 8.270 nan 0.000 0.440 204 M N -0.143 119.435 119.600 -0.036 0.000 2.132 204 M HA -0.156 3.332 4.480 -1.653 0.000 0.263 204 M C 2.360 178.678 176.300 0.030 0.000 1.065 204 M CA 1.767 57.070 55.300 0.005 0.000 1.122 204 M CB -0.271 32.345 32.600 0.026 0.000 1.365 204 M HN 0.127 nan 8.290 nan 0.000 0.411 205 M N 0.066 119.581 119.600 -0.142 0.000 2.059 205 M HA -0.202 3.286 4.480 -1.653 0.000 0.259 205 M C 2.325 178.561 176.300 -0.106 0.000 1.072 205 M CA 1.493 56.543 55.300 -0.417 0.000 1.117 205 M CB -0.600 31.471 32.600 -0.882 0.000 1.320 205 M HN 0.254 nan 8.290 nan 0.000 0.408 206 L N 0.609 121.773 121.223 -0.098 0.000 2.043 206 L HA -0.104 3.244 4.340 -1.653 0.000 0.212 206 L C 2.239 179.218 176.870 0.181 0.000 1.075 206 L CA 2.277 57.137 54.840 0.033 0.000 0.752 206 L CB -1.205 40.819 42.059 -0.059 0.000 0.891 206 L HN 0.282 nan 8.230 nan 0.000 0.432 207 G N -1.414 107.470 108.800 0.139 0.000 2.404 207 G HA2 -0.262 2.706 3.960 -1.653 0.000 0.215 207 G HA3 -0.262 2.706 3.960 -1.653 0.000 0.215 207 G C 1.619 176.635 174.900 0.192 0.000 1.174 207 G CA 1.065 46.245 45.100 0.133 0.000 0.780 207 G HN 0.596 nan 8.290 nan 0.000 0.537 208 S N 0.313 116.163 115.700 0.251 0.000 2.356 208 S HA -0.095 3.383 4.470 -1.653 0.000 0.223 208 S C 2.142 177.011 174.600 0.449 0.000 1.032 208 S CA 1.281 59.656 58.200 0.292 0.000 1.005 208 S CB -0.612 62.810 63.200 0.370 0.000 0.867 208 S HN 0.182 nan 8.310 nan 0.000 0.449 209 F N 2.467 122.712 119.950 0.492 0.000 2.025 209 F HA -0.152 3.381 4.527 -1.657 0.000 0.297 209 F C 2.956 178.940 175.800 0.308 0.000 1.132 209 F CA 2.151 60.453 58.000 0.503 0.000 1.191 209 F CB -1.078 38.216 39.000 0.490 0.000 0.963 209 F HN 0.292 nan 8.300 nan 0.000 0.481 210 Q N -0.753 119.242 119.800 0.326 0.000 2.133 210 Q HA -0.309 3.039 4.340 -1.653 0.000 0.208 210 Q C 2.279 178.298 176.000 0.032 0.000 0.991 210 Q CA 2.343 58.242 55.803 0.159 0.000 0.867 210 Q CB -0.676 28.181 28.738 0.198 0.000 0.911 210 Q HN 0.465 nan 8.270 nan 0.000 0.417 211 F N 1.062 120.978 119.950 -0.056 0.000 2.063 211 F HA -0.279 3.257 4.527 -1.652 0.000 0.298 211 F C 2.341 178.042 175.800 -0.165 0.000 1.109 211 F CA 2.279 60.186 58.000 -0.155 0.000 1.212 211 F CB -0.959 37.920 39.000 -0.203 0.000 0.973 211 F HN 0.275 nan 8.300 nan 0.000 0.480 212 T N -3.045 111.351 114.554 -0.263 0.000 2.977 212 T HA -0.095 3.263 4.350 -1.653 0.000 0.271 212 T C 1.772 176.355 174.700 -0.195 0.000 1.105 212 T CA 1.376 63.306 62.100 -0.282 0.000 1.116 212 T CB -0.638 68.188 68.868 -0.070 0.000 0.878 212 T HN 0.273 nan 8.240 nan 0.000 0.509 213 S N 1.108 116.682 115.700 -0.211 0.000 2.535 213 S HA 0.161 3.639 4.470 -1.653 0.000 0.214 213 S C 1.147 175.601 174.600 -0.244 0.000 0.980 213 S CA 0.132 58.236 58.200 -0.161 0.000 0.907 213 S CB 0.150 63.288 63.200 -0.104 0.000 0.790 213 S HN 0.907 nan 8.310 nan 0.000 0.510 214 T N 0.511 114.806 114.554 -0.432 0.000 2.847 214 T HA 0.293 3.651 4.350 -1.653 0.000 0.279 214 T C 1.528 176.054 174.700 -0.290 0.000 0.984 214 T CA 0.013 61.830 62.100 -0.473 0.000 0.988 214 T CB 1.146 69.693 68.868 -0.535 0.000 1.040 214 T HN 0.107 nan 8.240 nan 0.000 0.528 215 S N 0.298 115.896 115.700 -0.169 0.000 2.399 215 S HA -0.127 3.351 4.470 -1.653 0.000 0.231 215 S C 1.924 176.472 174.600 -0.086 0.000 1.022 215 S CA 1.375 59.529 58.200 -0.076 0.000 0.983 215 S CB -1.480 61.719 63.200 -0.001 0.000 0.803 215 S HN 0.816 nan 8.310 nan 0.000 0.480 216 T N 1.938 116.408 114.554 -0.140 0.000 2.777 216 T HA 0.081 3.439 4.350 -1.653 0.000 0.266 216 T C 2.080 176.609 174.700 -0.285 0.000 1.040 216 T CA 1.266 63.305 62.100 -0.102 0.000 1.141 216 T CB -1.134 67.741 68.868 0.011 0.000 0.868 216 T HN 0.623 nan 8.240 nan 0.000 0.444 217 G N 1.238 109.528 108.800 -0.849 0.000 2.450 217 G HA2 -0.234 2.734 3.960 -1.653 0.000 0.220 217 G HA3 -0.234 2.734 3.960 -1.653 0.000 0.220 217 G C 1.620 176.329 174.900 -0.318 0.000 1.130 217 G CA 0.581 45.051 45.100 -1.051 0.000 0.760 217 G HN 0.364 nan 8.290 nan 0.000 0.557 218 Q N -0.568 119.113 119.800 -0.199 0.000 2.212 218 Q HA 0.122 3.470 4.340 -1.653 0.000 0.199 218 Q C 2.547 178.541 176.000 -0.009 0.000 0.950 218 Q CA 0.364 56.133 55.803 -0.056 0.000 0.863 218 Q CB -0.347 28.376 28.738 -0.025 0.000 0.944 218 Q HN 0.487 nan 8.270 nan 0.000 0.465 219 L N -0.092 121.148 121.223 0.028 0.000 2.046 219 L HA -0.182 3.166 4.340 -1.653 0.000 0.208 219 L C 2.271 179.174 176.870 0.054 0.000 1.077 219 L CA 1.571 56.462 54.840 0.085 0.000 0.747 219 L CB -0.668 41.498 42.059 0.179 0.000 0.896 219 L HN 0.140 nan 8.230 nan 0.000 0.432 220 Y N 0.302 120.601 120.300 -0.003 0.000 2.165 220 Y HA -0.285 3.272 4.550 -1.654 0.000 0.286 220 Y C 2.403 178.293 175.900 -0.016 0.000 1.155 220 Y CA 1.865 59.992 58.100 0.046 0.000 1.164 220 Y CB 0.045 38.571 38.460 0.111 0.000 0.978 220 Y HN 0.262 nan 8.280 nan 0.000 0.513 221 E N -0.041 120.148 120.200 -0.017 0.000 2.219 221 E HA -0.243 3.115 4.350 -1.653 0.000 0.198 221 E C 1.979 178.430 176.600 -0.247 0.000 0.998 221 E CA 1.872 58.220 56.400 -0.086 0.000 0.818 221 E CB -0.343 29.363 29.700 0.009 0.000 0.741 221 E HN 0.671 nan 8.360 nan 0.000 0.477 222 M N -1.686 117.668 119.600 -0.410 0.000 2.412 222 M HA 0.085 3.573 4.480 -1.653 0.000 0.263 222 M C 0.927 176.706 176.300 -0.868 0.000 1.122 222 M CA 0.913 55.730 55.300 -0.805 0.000 1.179 222 M CB 0.040 31.843 32.600 -1.328 0.000 1.335 222 M HN -0.075 nan 8.290 nan 0.000 0.465 223 F N 0.689 120.514 119.950 -0.208 0.000 2.908 223 F HA 0.223 3.759 4.527 -1.652 0.000 0.328 223 F C 1.861 177.573 175.800 -0.147 0.000 1.211 223 F CA -0.626 57.296 58.000 -0.130 0.000 1.291 223 F CB -0.117 38.847 39.000 -0.060 0.000 0.962 223 F HN 0.135 nan 8.300 nan 0.000 0.505 224 S N -0.948 114.582 115.700 -0.283 0.000 2.442 224 S HA -0.209 3.269 4.470 -1.653 0.000 0.236 224 S C 2.113 176.663 174.600 -0.082 0.000 1.007 224 S CA 1.387 59.256 58.200 -0.551 0.000 0.965 224 S CB -0.641 62.045 63.200 -0.857 0.000 0.773 224 S HN 0.438 nan 8.310 nan 0.000 0.504 225 S N 1.874 117.623 115.700 0.082 0.000 2.368 225 S HA -0.064 3.414 4.470 -1.653 0.000 0.225 225 S C 1.831 176.588 174.600 0.262 0.000 1.030 225 S CA 1.178 59.493 58.200 0.191 0.000 0.999 225 S CB -0.970 62.386 63.200 0.261 0.000 0.844 225 S HN 0.442 nan 8.310 nan 0.000 0.459 226 V N 2.105 122.174 119.914 0.259 0.000 2.300 226 V HA 0.011 3.139 4.120 -1.653 0.000 0.241 226 V C 2.590 178.831 176.094 0.244 0.000 1.034 226 V CA 1.677 64.119 62.300 0.236 0.000 1.021 226 V CB -0.869 31.047 31.823 0.156 0.000 0.662 226 V HN 0.371 nan 8.190 nan 0.000 0.458 227 M N 0.828 120.570 119.600 0.238 0.000 2.195 227 M HA -0.245 3.243 4.480 -1.653 0.000 0.260 227 M C 2.262 178.803 176.300 0.401 0.000 1.066 227 M CA 2.159 57.645 55.300 0.311 0.000 1.089 227 M CB -0.594 32.260 32.600 0.422 0.000 1.377 227 M HN 0.479 nan 8.290 nan 0.000 0.411 228 K N -0.128 120.509 120.400 0.395 0.000 2.209 228 K HA -0.181 3.147 4.320 -1.653 0.000 0.204 228 K C 0.819 177.470 176.600 0.085 0.000 1.048 228 K CA 1.773 58.263 56.287 0.338 0.000 0.940 228 K CB -0.480 32.096 32.500 0.125 0.000 0.729 228 K HN 0.482 nan 8.250 nan 0.000 0.451 229 H N 0.029 119.260 119.070 0.267 0.000 2.539 229 H HA 0.301 3.865 4.556 -1.653 0.000 0.269 229 H C 0.022 175.432 175.328 0.137 0.000 0.980 229 H CA -0.392 55.764 56.048 0.180 0.000 1.152 229 H CB 0.251 30.087 29.762 0.123 0.000 1.407 229 H HN 0.002 nan 8.280 nan 0.000 0.564 230 L N 1.568 122.918 121.223 0.211 0.000 2.352 230 L HA 0.392 3.740 4.340 -1.653 0.000 0.269 230 L C -2.171 174.741 176.870 0.069 0.000 1.034 230 L CA -2.492 52.425 54.840 0.128 0.000 0.806 230 L CB 1.377 43.503 42.059 0.112 0.000 1.244 230 L HN -0.050 nan 8.230 nan 0.000 0.447 231 P HA 0.416 nan 4.420 nan 0.000 0.272 231 P C -0.263 177.007 177.300 -0.050 0.000 1.240 231 P CA -0.059 63.030 63.100 -0.019 0.000 0.791 231 P CB 0.945 32.637 31.700 -0.013 0.000 0.978 232 G N 0.261 108.994 108.800 -0.112 0.000 2.369 232 G HA2 0.070 3.038 3.960 -1.653 0.000 0.293 232 G HA3 0.070 3.038 3.960 -1.653 0.000 0.293 232 G C -2.597 172.158 174.900 -0.242 0.000 1.301 232 G CA -0.627 44.398 45.100 -0.125 0.000 0.913 232 G HN 0.222 nan 8.290 nan 0.000 0.540 233 P HA -0.156 nan 4.420 nan 0.000 0.220 233 P C 1.787 178.612 177.300 -0.792 0.000 1.144 233 P CA 1.835 64.745 63.100 -0.318 0.000 0.800 233 P CB 0.035 31.705 31.700 -0.050 0.000 0.772 234 Q N 0.086 119.387 119.800 -0.831 0.000 2.119 234 Q HA -0.183 3.165 4.340 -1.653 0.000 0.201 234 Q C 1.823 176.603 176.000 -2.034 0.000 0.972 234 Q CA 1.379 56.247 55.803 -1.560 0.000 0.847 234 Q CB -0.994 27.099 28.738 -1.076 0.000 0.903 234 Q HN 0.271 nan 8.270 nan 0.000 0.433 235 Q N 0.592 119.662 119.800 -1.217 0.000 2.084 235 Q HA -0.106 3.242 4.340 -1.653 0.000 0.202 235 Q C 2.111 177.684 176.000 -0.712 0.000 0.978 235 Q CA 1.329 56.608 55.803 -0.873 0.000 0.844 235 Q CB -0.298 28.230 28.738 -0.350 0.000 0.898 235 Q HN 0.484 nan 8.270 nan 0.000 0.426 236 Q N 0.147 119.574 119.800 -0.622 0.000 2.084 236 Q HA -0.067 3.281 4.340 -1.653 0.000 0.202 236 Q C 1.976 177.655 176.000 -0.534 0.000 0.978 236 Q CA 1.393 56.920 55.803 -0.460 0.000 0.844 236 Q CB -0.133 28.392 28.738 -0.356 0.000 0.898 236 Q HN 0.343 nan 8.270 nan 0.000 0.426 237 A N 0.418 122.724 122.820 -0.856 0.000 1.917 237 A HA -0.200 3.128 4.320 -1.653 0.000 0.219 237 A C 1.796 179.039 177.584 -0.568 0.000 1.182 237 A CA 1.598 53.140 52.037 -0.825 0.000 0.633 237 A CB -0.888 17.227 19.000 -1.475 0.000 0.819 237 A HN 0.351 nan 8.150 nan 0.000 0.448 238 F N -0.012 119.433 119.950 -0.841 0.000 2.171 238 F HA -0.134 3.401 4.527 -1.654 0.000 0.300 238 F C 2.672 178.139 175.800 -0.554 0.000 1.090 238 F CA 1.061 58.399 58.000 -1.103 0.000 1.293 238 F CB -1.003 36.877 39.000 -1.866 0.000 1.013 238 F HN 0.248 nan 8.300 nan 0.000 0.486 239 Q N 0.276 119.953 119.800 -0.205 0.000 2.119 239 Q HA -0.098 3.250 4.340 -1.653 0.000 0.201 239 Q C 2.520 178.510 176.000 -0.016 0.000 0.972 239 Q CA 1.049 56.811 55.803 -0.069 0.000 0.847 239 Q CB -0.563 28.115 28.738 -0.100 0.000 0.903 239 Q HN 0.436 nan 8.270 nan 0.000 0.433 240 L N -0.019 121.173 121.223 -0.052 0.000 2.056 240 L HA -0.163 3.185 4.340 -1.653 0.000 0.207 240 L C 2.467 179.403 176.870 0.110 0.000 1.078 240 L CA 0.801 55.652 54.840 0.018 0.000 0.749 240 L CB -0.616 41.444 42.059 0.001 0.000 0.901 240 L HN 0.175 nan 8.230 nan 0.000 0.433 241 L N -0.409 120.884 121.223 0.116 0.000 2.012 241 L HA -0.250 3.098 4.340 -1.653 0.000 0.210 241 L C 2.752 179.754 176.870 0.219 0.000 1.073 241 L CA 1.215 56.176 54.840 0.200 0.000 0.748 241 L CB -0.467 41.693 42.059 0.168 0.000 0.891 241 L HN 0.301 nan 8.230 nan 0.000 0.431 242 Q N 0.406 120.348 119.800 0.236 0.000 2.084 242 Q HA -0.145 3.203 4.340 -1.653 0.000 0.202 242 Q C 2.086 178.192 176.000 0.176 0.000 0.978 242 Q CA 2.019 57.961 55.803 0.231 0.000 0.844 242 Q CB -0.710 28.187 28.738 0.265 0.000 0.898 242 Q HN 0.411 nan 8.270 nan 0.000 0.426 243 G N 0.682 109.573 108.800 0.151 0.000 2.529 243 G HA2 -0.289 2.679 3.960 -1.653 0.000 0.219 243 G HA3 -0.289 2.679 3.960 -1.653 0.000 0.219 243 G C 1.387 176.417 174.900 0.218 0.000 1.177 243 G CA 1.207 46.397 45.100 0.150 0.000 0.773 243 G HN 0.405 nan 8.290 nan 0.000 0.573 244 L N 0.135 121.509 121.223 0.252 0.000 2.042 244 L HA -0.094 3.254 4.340 -1.653 0.000 0.210 244 L C 2.811 179.907 176.870 0.377 0.000 1.076 244 L CA 1.727 56.786 54.840 0.365 0.000 0.749 244 L CB -0.441 41.870 42.059 0.421 0.000 0.893 244 L HN 0.413 nan 8.230 nan 0.000 0.432 245 E N 0.193 120.561 120.200 0.280 0.000 2.085 245 E HA -0.268 3.090 4.350 -1.653 0.000 0.194 245 E C 1.662 178.372 176.600 0.183 0.000 0.994 245 E CA 1.675 58.206 56.400 0.218 0.000 0.801 245 E CB 0.082 29.863 29.700 0.134 0.000 0.743 245 E HN 0.429 nan 8.360 nan 0.000 0.453 246 D N -0.169 120.337 120.400 0.175 0.000 2.144 246 D HA -0.157 3.491 4.640 -1.653 0.000 0.199 246 D C 1.636 178.021 176.300 0.142 0.000 0.984 246 D CA 0.750 54.831 54.000 0.134 0.000 0.834 246 D CB -0.390 40.486 40.800 0.126 0.000 0.955 246 D HN 0.233 nan 8.370 nan 0.000 0.465 247 F N 1.473 121.467 119.950 0.074 0.000 2.134 247 F HA -0.169 3.366 4.527 -1.653 0.000 0.299 247 F C 2.037 177.843 175.800 0.010 0.000 1.097 247 F CA 0.984 59.004 58.000 0.034 0.000 1.264 247 F CB 0.004 39.031 39.000 0.045 0.000 1.001 247 F HN -0.161 nan 8.300 nan 0.000 0.479 248 I N 0.835 121.454 120.570 0.081 0.000 2.202 248 I HA -0.233 2.945 4.170 -1.653 0.000 0.242 248 I C 2.802 178.887 176.117 -0.053 0.000 1.091 248 I CA 1.416 62.735 61.300 0.031 0.000 1.368 248 I CB -2.263 35.875 38.000 0.230 0.000 1.058 248 I HN 0.220 nan 8.210 nan 0.000 0.410 249 A N 0.758 123.576 122.820 -0.002 0.000 1.948 249 A HA -0.251 3.077 4.320 -1.653 0.000 0.220 249 A C 2.455 180.002 177.584 -0.061 0.000 1.177 249 A CA 1.803 53.832 52.037 -0.013 0.000 0.636 249 A CB -0.589 18.419 19.000 0.013 0.000 0.815 249 A HN 0.354 nan 8.150 nan 0.000 0.449 250 K N -0.641 119.684 120.400 -0.125 0.000 2.025 250 K HA -0.126 3.202 4.320 -1.653 0.000 0.207 250 K C 1.907 178.376 176.600 -0.219 0.000 1.049 250 K CA 1.276 57.464 56.287 -0.164 0.000 0.933 250 K CB -0.114 32.260 32.500 -0.211 0.000 0.714 250 K HN 0.221 nan 8.250 nan 0.000 0.438 251 K N 0.622 120.780 120.400 -0.403 0.000 2.147 251 K HA -0.084 3.244 4.320 -1.653 0.000 0.205 251 K C 2.115 178.654 176.600 -0.103 0.000 1.049 251 K CA 0.754 56.824 56.287 -0.361 0.000 0.936 251 K CB -0.435 31.737 32.500 -0.547 0.000 0.722 251 K HN 0.016 nan 8.250 nan 0.000 0.446 252 V N 1.593 121.475 119.914 -0.054 0.000 2.307 252 V HA -0.225 2.903 4.120 -1.653 0.000 0.245 252 V C 2.136 178.243 176.094 0.023 0.000 1.045 252 V CA 1.689 63.996 62.300 0.012 0.000 1.024 252 V CB -0.417 31.413 31.823 0.012 0.000 0.651 252 V HN 0.361 nan 8.190 nan 0.000 0.449 253 E N -0.723 119.481 120.200 0.005 0.000 2.058 253 E HA -0.280 3.078 4.350 -1.653 0.000 0.194 253 E C 2.314 178.929 176.600 0.026 0.000 0.997 253 E CA 1.539 57.945 56.400 0.009 0.000 0.801 253 E CB -0.299 29.397 29.700 -0.006 0.000 0.746 253 E HN 0.618 nan 8.360 nan 0.000 0.450 254 H N 0.862 119.897 119.070 -0.059 0.000 2.387 254 H HA -0.081 3.483 4.556 -1.653 0.000 0.299 254 H C 1.683 176.992 175.328 -0.033 0.000 1.090 254 H CA 1.686 57.702 56.048 -0.054 0.000 1.332 254 H CB 0.120 29.832 29.762 -0.084 0.000 1.386 254 H HN 0.068 nan 8.280 nan 0.000 0.516 255 N N 0.426 119.236 118.700 0.183 0.000 2.142 255 N HA -0.115 3.633 4.740 -1.653 0.000 0.186 255 N C 2.139 177.694 175.510 0.075 0.000 1.023 255 N CA 1.059 54.188 53.050 0.131 0.000 0.852 255 N CB -0.167 38.378 38.487 0.096 0.000 0.998 255 N HN 0.452 nan 8.380 nan 0.000 0.424 256 Q N -0.049 119.781 119.800 0.050 0.000 2.124 256 Q HA -0.110 3.238 4.340 -1.653 0.000 0.202 256 Q C 1.058 177.062 176.000 0.006 0.000 0.977 256 Q CA 1.202 57.023 55.803 0.031 0.000 0.850 256 Q CB -0.013 28.740 28.738 0.025 0.000 0.901 256 Q HN 0.486 nan 8.270 nan 0.000 0.429 257 R N -0.060 120.424 120.500 -0.026 0.000 2.449 257 R HA 0.073 3.421 4.340 -1.653 0.000 0.262 257 R C 0.332 176.590 176.300 -0.070 0.000 1.006 257 R CA 0.945 57.010 56.100 -0.059 0.000 1.104 257 R CB 0.144 30.386 30.300 -0.095 0.000 1.206 257 R HN 0.048 nan 8.270 nan 0.000 0.538 258 T N -3.572 110.968 114.554 -0.023 0.000 3.326 258 T HA 0.118 3.476 4.350 -1.653 0.000 0.302 258 T C -0.110 174.607 174.700 0.028 0.000 0.908 258 T CA -0.601 61.499 62.100 0.000 0.000 0.933 258 T CB 0.133 69.020 68.868 0.033 0.000 1.194 258 T HN 0.131 nan 8.240 nan 0.000 0.585 259 L N 3.599 124.839 121.223 0.029 0.000 2.500 259 L HA 0.463 3.811 4.340 -1.653 0.000 0.272 259 L C -0.326 176.562 176.870 0.031 0.000 1.149 259 L CA 0.124 54.988 54.840 0.039 0.000 0.897 259 L CB 0.327 42.411 42.059 0.042 0.000 1.178 259 L HN 0.139 nan 8.230 nan 0.000 0.473 260 D N 7.403 127.825 120.400 0.036 0.000 2.411 260 D HA 0.270 3.918 4.640 -1.653 0.000 0.225 260 D C -1.973 174.346 176.300 0.031 0.000 1.156 260 D CA -2.124 51.893 54.000 0.029 0.000 0.874 260 D CB 1.517 42.335 40.800 0.030 0.000 1.034 260 D HN 0.386 nan 8.370 nan 0.000 0.502 261 P HA 0.080 nan 4.420 nan 0.000 0.242 261 P C 0.048 177.356 177.300 0.012 0.000 1.197 261 P CA 0.555 63.667 63.100 0.019 0.000 0.765 261 P CB 0.258 31.965 31.700 0.011 0.000 0.936 262 N N -2.105 116.602 118.700 0.012 0.000 2.227 262 N HA 0.083 3.831 4.740 -1.653 0.000 0.196 262 N C -0.077 175.436 175.510 0.006 0.000 1.142 262 N CA 0.130 53.183 53.050 0.004 0.000 0.887 262 N CB 0.467 38.954 38.487 0.000 0.000 1.022 262 N HN -0.182 nan 8.380 nan 0.000 0.500 263 S N 1.410 117.123 115.700 0.021 0.000 2.312 263 S HA 0.280 3.758 4.470 -1.653 0.000 0.173 263 S C -2.829 171.809 174.600 0.063 0.000 1.488 263 S CA -1.229 56.988 58.200 0.029 0.000 1.239 263 S CB 0.428 63.644 63.200 0.026 0.000 1.215 263 S HN -0.023 nan 8.310 nan 0.000 0.438 264 P HA 0.248 nan 4.420 nan 0.000 0.271 264 P C 0.241 177.683 177.300 0.237 0.000 1.220 264 P CA -0.306 62.891 63.100 0.163 0.000 0.768 264 P CB 0.767 32.593 31.700 0.209 0.000 0.848 265 R N 1.548 122.169 120.500 0.202 0.000 2.193 265 R HA 0.022 3.370 4.340 -1.653 0.000 0.213 265 R C 0.228 176.654 176.300 0.209 0.000 1.055 265 R CA 1.079 57.294 56.100 0.192 0.000 0.995 265 R CB -0.051 30.309 30.300 0.101 0.000 0.893 265 R HN 0.683 nan 8.270 nan 0.000 0.459 266 D N -3.790 116.655 120.400 0.074 0.000 2.769 266 D HA -0.083 3.565 4.640 -1.653 0.000 0.309 266 D C 0.051 176.047 176.300 -0.507 0.000 1.315 266 D CA -0.793 52.872 54.000 -0.559 0.000 0.780 266 D CB -0.341 40.319 40.800 -0.234 0.000 1.312 266 D HN -0.187 nan 8.370 nan 0.000 0.437 267 F N 0.471 120.005 119.950 -0.693 0.000 2.091 267 F HA -0.115 3.421 4.527 -1.652 0.000 0.299 267 F C 1.860 177.728 175.800 0.113 0.000 1.103 267 F CA 1.786 59.679 58.000 -0.178 0.000 1.228 267 F CB -0.197 38.721 39.000 -0.136 0.000 0.984 267 F HN 0.398 nan 8.300 nan 0.000 0.477 268 I N 0.064 120.754 120.570 0.200 0.000 2.127 268 I HA -0.346 2.832 4.170 -1.653 0.000 0.241 268 I C 2.119 178.323 176.117 0.145 0.000 1.075 268 I CA 1.707 63.118 61.300 0.184 0.000 1.334 268 I CB -0.660 37.435 38.000 0.158 0.000 1.040 268 I HN 0.122 nan 8.210 nan 0.000 0.405 269 D N 0.619 121.091 120.400 0.120 0.000 2.117 269 D HA -0.133 3.515 4.640 -1.653 0.000 0.197 269 D C 2.400 178.785 176.300 0.142 0.000 0.987 269 D CA 1.419 55.495 54.000 0.127 0.000 0.829 269 D CB -0.201 40.676 40.800 0.128 0.000 0.961 269 D HN 0.216 nan 8.370 nan 0.000 0.460 270 S N 0.283 116.087 115.700 0.174 0.000 2.359 270 S HA -0.201 3.277 4.470 -1.653 0.000 0.223 270 S C 1.871 176.603 174.600 0.220 0.000 1.039 270 S CA 0.857 59.175 58.200 0.196 0.000 1.042 270 S CB -0.665 62.659 63.200 0.207 0.000 0.915 270 S HN 0.301 nan 8.310 nan 0.000 0.439 271 F N 1.851 121.830 119.950 0.048 0.000 2.102 271 F HA -0.099 3.435 4.527 -1.654 0.000 0.298 271 F C 2.041 177.778 175.800 -0.106 0.000 1.105 271 F CA 1.144 59.044 58.000 -0.166 0.000 1.239 271 F CB -0.203 38.681 39.000 -0.194 0.000 0.991 271 F HN 0.097 nan 8.300 nan 0.000 0.474 272 L N -0.078 121.297 121.223 0.254 0.000 2.012 272 L HA -0.287 3.061 4.340 -1.653 0.000 0.210 272 L C 2.350 179.261 176.870 0.069 0.000 1.073 272 L CA 1.548 56.486 54.840 0.162 0.000 0.748 272 L CB -0.724 41.408 42.059 0.122 0.000 0.891 272 L HN 0.200 nan 8.230 nan 0.000 0.431 273 I N -0.664 119.930 120.570 0.040 0.000 2.163 273 I HA -0.315 2.863 4.170 -1.653 0.000 0.243 273 I C 2.789 178.851 176.117 -0.091 0.000 1.085 273 I CA 1.056 62.351 61.300 -0.009 0.000 1.347 273 I CB -0.271 37.734 38.000 0.009 0.000 1.044 273 I HN 0.182 nan 8.210 nan 0.000 0.408 274 R N 0.958 121.341 120.500 -0.196 0.000 2.103 274 R HA -0.172 3.176 4.340 -1.653 0.000 0.242 274 R C 2.197 178.285 176.300 -0.352 0.000 1.142 274 R CA 1.860 57.695 56.100 -0.442 0.000 0.960 274 R CB -0.445 29.281 30.300 -0.957 0.000 0.858 274 R HN 0.275 nan 8.270 nan 0.000 0.439 275 M N -0.345 119.150 119.600 -0.176 0.000 2.108 275 M HA -0.247 3.241 4.480 -1.653 0.000 0.261 275 M C 2.369 178.675 176.300 0.010 0.000 1.066 275 M CA 1.937 57.244 55.300 0.012 0.000 1.107 275 M CB -0.312 32.380 32.600 0.153 0.000 1.356 275 M HN 0.245 nan 8.290 nan 0.000 0.406 276 Q N 0.276 120.073 119.800 -0.006 0.000 2.030 276 Q HA -0.222 3.126 4.340 -1.653 0.000 0.204 276 Q C 1.782 177.769 176.000 -0.022 0.000 0.986 276 Q CA 1.795 57.596 55.803 -0.003 0.000 0.843 276 Q CB -0.143 28.592 28.738 -0.005 0.000 0.904 276 Q HN 0.560 nan 8.270 nan 0.000 0.420 277 E N 0.108 120.274 120.200 -0.058 0.000 2.265 277 E HA -0.157 3.201 4.350 -1.653 0.000 0.196 277 E C 1.023 177.591 176.600 -0.054 0.000 0.996 277 E CA 0.647 57.007 56.400 -0.067 0.000 0.832 277 E CB 0.140 29.776 29.700 -0.107 0.000 0.756 277 E HN 0.273 nan 8.360 nan 0.000 0.491 278 E N 0.281 120.454 120.200 -0.044 0.000 2.501 278 E HA 0.007 3.365 4.350 -1.653 0.000 0.200 278 E C 0.848 177.476 176.600 0.047 0.000 1.016 278 E CA 0.011 56.415 56.400 0.007 0.000 0.921 278 E CB 0.484 30.207 29.700 0.039 0.000 1.034 278 E HN 0.311 nan 8.360 nan 0.000 0.468 279 E N 0.861 121.081 120.200 0.033 0.000 2.338 279 E HA -0.091 3.267 4.350 -1.653 0.000 0.197 279 E C 0.902 177.523 176.600 0.035 0.000 1.007 279 E CA 0.712 57.138 56.400 0.042 0.000 0.849 279 E CB 0.361 30.079 29.700 0.030 0.000 0.774 279 E HN -0.089 nan 8.360 nan 0.000 0.506 280 K N 0.366 120.782 120.400 0.027 0.000 2.399 280 K HA 0.097 3.425 4.320 -1.653 0.000 0.204 280 K C -0.104 176.513 176.600 0.027 0.000 1.023 280 K CA -0.091 56.209 56.287 0.022 0.000 1.127 280 K CB 0.251 32.759 32.500 0.013 0.000 0.856 280 K HN -0.078 nan 8.250 nan 0.000 0.514 281 N N 2.608 121.332 118.700 0.040 0.000 2.546 281 N HA 0.137 3.885 4.740 -1.653 0.000 0.238 281 N C -1.768 173.778 175.510 0.060 0.000 0.984 281 N CA -1.983 51.096 53.050 0.049 0.000 0.935 281 N CB 1.351 39.873 38.487 0.059 0.000 1.122 281 N HN -0.149 nan 8.380 nan 0.000 0.510 282 P HA -0.011 nan 4.420 nan 0.000 0.226 282 P C -0.177 177.151 177.300 0.047 0.000 1.153 282 P CA 0.824 63.946 63.100 0.037 0.000 0.777 282 P CB 0.477 32.190 31.700 0.022 0.000 0.794 283 N N -0.402 118.334 118.700 0.061 0.000 2.279 283 N HA 0.027 3.775 4.740 -1.653 0.000 0.226 283 N C 0.461 176.040 175.510 0.114 0.000 1.126 283 N CA 0.218 53.312 53.050 0.073 0.000 0.846 283 N CB 0.076 38.596 38.487 0.054 0.000 1.050 283 N HN 0.097 nan 8.380 nan 0.000 0.502 284 T N 0.512 115.157 114.554 0.152 0.000 2.900 284 T HA 0.034 3.392 4.350 -1.653 0.000 0.307 284 T C 1.159 176.014 174.700 0.258 0.000 1.065 284 T CA 0.127 62.349 62.100 0.204 0.000 1.105 284 T CB 1.002 70.012 68.868 0.237 0.000 0.979 284 T HN 0.032 nan 8.240 nan 0.000 0.544 285 E N 2.468 122.692 120.200 0.040 0.000 2.474 285 E HA 0.076 3.434 4.350 -1.653 0.000 0.194 285 E C -0.133 176.080 176.600 -0.644 0.000 1.041 285 E CA 0.267 56.511 56.400 -0.260 0.000 0.874 285 E CB 0.086 29.512 29.700 -0.458 0.000 0.914 285 E HN 0.623 nan 8.360 nan 0.000 0.498 286 F N 1.912 121.788 119.950 -0.123 0.000 2.573 286 F HA 0.177 3.712 4.527 -1.654 0.000 0.349 286 F C 0.091 175.948 175.800 0.095 0.000 1.213 286 F CA -0.835 57.060 58.000 -0.175 0.000 1.300 286 F CB -0.522 38.226 39.000 -0.421 0.000 1.661 286 F HN -0.126 nan 8.300 nan 0.000 0.616 287 Y N -1.583 118.884 120.300 0.280 0.000 2.686 287 Y HA 0.535 4.094 4.550 -1.653 0.000 0.330 287 Y C 0.840 176.856 175.900 0.194 0.000 1.082 287 Y CA -1.612 56.610 58.100 0.203 0.000 1.158 287 Y CB 0.139 38.666 38.460 0.111 0.000 1.333 287 Y HN 0.021 nan 8.280 nan 0.000 0.519 288 L N 1.445 122.846 121.223 0.296 0.000 2.012 288 L HA -0.131 3.217 4.340 -1.653 0.000 0.210 288 L C 2.255 179.157 176.870 0.053 0.000 1.073 288 L CA 2.083 57.001 54.840 0.130 0.000 0.748 288 L CB -0.722 41.397 42.059 0.100 0.000 0.891 288 L HN 0.887 nan 8.230 nan 0.000 0.431 289 K N -1.045 119.443 120.400 0.146 0.000 2.097 289 K HA -0.172 3.156 4.320 -1.653 0.000 0.206 289 K C 1.915 178.505 176.600 -0.016 0.000 1.049 289 K CA 1.406 57.704 56.287 0.018 0.000 0.933 289 K CB -0.047 32.369 32.500 -0.140 0.000 0.717 289 K HN 0.379 nan 8.250 nan 0.000 0.442 290 N N 1.062 119.691 118.700 -0.118 0.000 2.188 290 N HA -0.151 3.597 4.740 -1.653 0.000 0.184 290 N C 1.698 177.034 175.510 -0.289 0.000 1.018 290 N CA 0.810 53.781 53.050 -0.132 0.000 0.858 290 N CB -0.276 38.046 38.487 -0.276 0.000 0.989 290 N HN 0.155 nan 8.380 nan 0.000 0.426 291 L N 1.074 121.892 121.223 -0.675 0.000 1.970 291 L HA -0.136 3.212 4.340 -1.653 0.000 0.212 291 L C 2.001 178.635 176.870 -0.393 0.000 1.071 291 L CA 1.558 55.664 54.840 -1.223 0.000 0.751 291 L CB -0.897 40.563 42.059 -1.000 0.000 0.889 291 L HN -0.097 nan 8.230 nan 0.000 0.432 292 V N -0.105 119.712 119.914 -0.162 0.000 2.282 292 V HA -0.364 2.764 4.120 -1.653 0.000 0.249 292 V C 2.638 178.805 176.094 0.122 0.000 1.057 292 V CA 2.272 64.580 62.300 0.013 0.000 1.032 292 V CB -0.753 31.092 31.823 0.037 0.000 0.645 292 V HN 0.495 nan 8.190 nan 0.000 0.447 293 M N -0.663 119.023 119.600 0.145 0.000 2.193 293 M HA -0.073 3.415 4.480 -1.653 0.000 0.265 293 M C 2.292 178.707 176.300 0.191 0.000 1.071 293 M CA 1.704 57.191 55.300 0.313 0.000 1.140 293 M CB -1.763 31.085 32.600 0.412 0.000 1.369 293 M HN 0.372 nan 8.290 nan 0.000 0.423 294 T N 0.579 115.194 114.554 0.100 0.000 2.788 294 T HA -0.106 3.252 4.350 -1.653 0.000 0.268 294 T C 1.850 176.589 174.700 0.064 0.000 1.044 294 T CA 1.897 64.064 62.100 0.112 0.000 1.139 294 T CB -0.237 68.786 68.868 0.258 0.000 0.867 294 T HN 0.388 nan 8.240 nan 0.000 0.454 295 T N 2.216 116.821 114.554 0.085 0.000 2.812 295 T HA 0.029 3.387 4.350 -1.653 0.000 0.264 295 T C 1.856 176.660 174.700 0.174 0.000 1.042 295 T CA 0.512 62.639 62.100 0.044 0.000 1.140 295 T CB -0.395 68.546 68.868 0.121 0.000 0.870 295 T HN 0.083 nan 8.240 nan 0.000 0.445 296 L N 2.208 123.620 121.223 0.316 0.000 1.970 296 L HA -0.128 3.220 4.340 -1.653 0.000 0.212 296 L C 1.830 178.962 176.870 0.437 0.000 1.071 296 L CA 1.801 56.946 54.840 0.507 0.000 0.751 296 L CB -1.364 41.068 42.059 0.621 0.000 0.889 296 L HN 0.290 nan 8.230 nan 0.000 0.432 297 N N -0.719 118.109 118.700 0.214 0.000 2.036 297 N HA -0.291 3.457 4.740 -1.653 0.000 0.199 297 N C 1.881 177.422 175.510 0.052 0.000 1.036 297 N CA 2.049 55.100 53.050 0.003 0.000 0.870 297 N CB -0.433 37.945 38.487 -0.181 0.000 1.055 297 N HN 0.355 nan 8.380 nan 0.000 0.436 298 L N -0.374 120.856 121.223 0.013 0.000 2.017 298 L HA -0.176 3.172 4.340 -1.653 0.000 0.208 298 L C 2.280 179.206 176.870 0.094 0.000 1.073 298 L CA 1.002 55.823 54.840 -0.032 0.000 0.745 298 L CB -0.534 41.397 42.059 -0.215 0.000 0.894 298 L HN 0.215 nan 8.230 nan 0.000 0.432 299 F N 0.251 120.207 119.950 0.009 0.000 2.095 299 F HA -0.294 3.242 4.527 -1.652 0.000 0.298 299 F C 2.290 178.181 175.800 0.152 0.000 1.104 299 F CA 1.379 59.436 58.000 0.095 0.000 1.232 299 F CB -0.514 38.623 39.000 0.228 0.000 0.987 299 F HN -0.072 nan 8.300 nan 0.000 0.475 300 F N 0.567 120.505 119.950 -0.020 0.000 2.098 300 F HA 0.030 3.563 4.527 -1.655 0.000 0.294 300 F C 2.467 178.173 175.800 -0.158 0.000 1.107 300 F CA 1.545 59.465 58.000 -0.135 0.000 1.234 300 F CB -1.131 37.901 39.000 0.054 0.000 1.002 300 F HN 0.002 nan 8.300 nan 0.000 0.472 301 A N -0.274 122.659 122.820 0.188 0.000 1.930 301 A HA -0.016 3.312 4.320 -1.653 0.000 0.217 301 A C 2.370 179.948 177.584 -0.010 0.000 1.175 301 A CA 1.537 53.601 52.037 0.045 0.000 0.627 301 A CB -1.665 17.285 19.000 -0.084 0.000 0.815 301 A HN 0.456 nan 8.150 nan 0.000 0.443 302 G N -2.084 106.709 108.800 -0.010 0.000 2.744 302 G HA2 0.134 3.102 3.960 -1.653 0.000 0.211 302 G HA3 0.134 3.102 3.960 -1.653 0.000 0.211 302 G C 1.259 176.147 174.900 -0.020 0.000 1.143 302 G CA 1.412 46.510 45.100 -0.004 0.000 0.788 302 G HN 0.438 nan 8.290 nan 0.000 0.534 303 T N -0.162 114.325 114.554 -0.112 0.000 3.053 303 T HA 0.078 3.436 4.350 -1.653 0.000 0.236 303 T C 2.066 176.615 174.700 -0.252 0.000 0.996 303 T CA 0.814 62.796 62.100 -0.198 0.000 1.185 303 T CB 0.146 68.784 68.868 -0.382 0.000 0.892 303 T HN 0.189 nan 8.240 nan 0.000 0.432 304 E N 1.267 121.257 120.200 -0.351 0.000 2.112 304 E HA -0.070 3.288 4.350 -1.653 0.000 0.190 304 E C 2.388 178.732 176.600 -0.426 0.000 0.979 304 E CA 1.611 57.704 56.400 -0.511 0.000 0.814 304 E CB -0.357 28.861 29.700 -0.803 0.000 0.762 304 E HN 0.608 nan 8.360 nan 0.000 0.460 305 T N -1.995 112.395 114.554 -0.273 0.000 2.737 305 T HA -0.097 3.261 4.350 -1.653 0.000 0.265 305 T C 2.022 176.697 174.700 -0.040 0.000 1.038 305 T CA 1.309 63.346 62.100 -0.104 0.000 1.144 305 T CB -0.791 68.069 68.868 -0.014 0.000 0.866 305 T HN -0.017 nan 8.240 nan 0.000 0.434 306 V N 1.819 121.715 119.914 -0.029 0.000 2.295 306 V HA -0.175 2.953 4.120 -1.653 0.000 0.246 306 V C 3.086 179.154 176.094 -0.043 0.000 1.049 306 V CA 2.021 64.324 62.300 0.006 0.000 1.024 306 V CB -1.158 30.697 31.823 0.054 0.000 0.648 306 V HN 0.642 nan 8.190 nan 0.000 0.447 307 S N -0.294 115.348 115.700 -0.096 0.000 2.365 307 S HA -0.257 3.221 4.470 -1.653 0.000 0.225 307 S C 2.069 176.622 174.600 -0.077 0.000 1.039 307 S CA 2.549 60.670 58.200 -0.131 0.000 1.033 307 S CB -0.442 62.630 63.200 -0.214 0.000 0.887 307 S HN 0.706 nan 8.310 nan 0.000 0.447 308 T N 1.038 115.565 114.554 -0.046 0.000 2.821 308 T HA -0.047 3.311 4.350 -1.653 0.000 0.267 308 T C 1.925 176.706 174.700 0.136 0.000 1.046 308 T CA 1.750 63.880 62.100 0.049 0.000 1.139 308 T CB -0.814 68.128 68.868 0.124 0.000 0.871 308 T HN 0.506 nan 8.240 nan 0.000 0.454 309 T N 2.587 117.205 114.554 0.107 0.000 2.746 309 T HA 0.055 3.413 4.350 -1.653 0.000 0.267 309 T C 1.981 176.776 174.700 0.158 0.000 1.039 309 T CA 0.833 63.025 62.100 0.153 0.000 1.142 309 T CB -0.422 68.510 68.868 0.107 0.000 0.866 309 T HN 0.259 nan 8.240 nan 0.000 0.444 310 L N 0.356 121.559 121.223 -0.034 0.000 2.017 310 L HA -0.066 3.282 4.340 -1.653 0.000 0.208 310 L C 2.873 179.769 176.870 0.043 0.000 1.073 310 L CA 1.430 56.111 54.840 -0.264 0.000 0.745 310 L CB -0.514 41.367 42.059 -0.298 0.000 0.894 310 L HN 0.135 nan 8.230 nan 0.000 0.432 311 R N -0.704 119.903 120.500 0.179 0.000 2.083 311 R HA -0.227 3.121 4.340 -1.653 0.000 0.237 311 R C 2.429 178.980 176.300 0.417 0.000 1.137 311 R CA 1.755 58.052 56.100 0.327 0.000 0.951 311 R CB -0.474 29.920 30.300 0.156 0.000 0.851 311 R HN 0.301 nan 8.270 nan 0.000 0.434 312 Y N -0.208 120.201 120.300 0.182 0.000 2.145 312 Y HA -0.180 3.393 4.550 -1.628 0.000 0.286 312 Y C 2.305 178.223 175.900 0.031 0.000 1.145 312 Y CA 0.797 58.962 58.100 0.108 0.000 1.148 312 Y CB -0.298 38.222 38.460 0.100 0.000 0.981 312 Y HN 0.332 nan 8.280 nan 0.000 0.507 313 G N -0.114 108.845 108.800 0.266 0.000 2.529 313 G HA2 -0.323 2.645 3.960 -1.653 0.000 0.219 313 G HA3 -0.323 2.645 3.960 -1.653 0.000 0.219 313 G C 1.419 176.329 174.900 0.016 0.000 1.177 313 G CA 1.293 46.450 45.100 0.094 0.000 0.773 313 G HN 0.450 nan 8.290 nan 0.000 0.573 314 F N -0.070 120.073 119.950 0.323 0.000 2.171 314 F HA 0.036 3.575 4.527 -1.646 0.000 0.300 314 F C 2.442 178.223 175.800 -0.031 0.000 1.090 314 F CA 0.710 58.831 58.000 0.201 0.000 1.293 314 F CB -0.175 39.003 39.000 0.298 0.000 1.013 314 F HN 0.159 nan 8.300 nan 0.000 0.486 315 L N -0.448 120.775 121.223 -0.001 0.000 2.109 315 L HA -0.128 3.220 4.340 -1.653 0.000 0.207 315 L C 2.014 178.738 176.870 -0.243 0.000 1.086 315 L CA 1.236 55.862 54.840 -0.356 0.000 0.760 315 L CB -0.547 41.107 42.059 -0.676 0.000 0.910 315 L HN -0.033 nan 8.230 nan 0.000 0.437 316 L N -0.387 120.689 121.223 -0.244 0.000 2.043 316 L HA -0.238 3.110 4.340 -1.653 0.000 0.212 316 L C 2.421 179.087 176.870 -0.340 0.000 1.075 316 L CA 1.870 56.392 54.840 -0.530 0.000 0.752 316 L CB -1.137 40.300 42.059 -1.036 0.000 0.891 316 L HN 0.298 nan 8.230 nan 0.000 0.432 317 L N -2.007 119.111 121.223 -0.176 0.000 2.093 317 L HA -0.211 3.137 4.340 -1.653 0.000 0.208 317 L C 2.468 179.342 176.870 0.008 0.000 1.085 317 L CA 1.031 55.861 54.840 -0.016 0.000 0.755 317 L CB -0.381 41.718 42.059 0.067 0.000 0.904 317 L HN 0.270 nan 8.230 nan 0.000 0.435 318 M N -0.552 119.021 119.600 -0.045 0.000 2.319 318 M HA -0.163 3.325 4.480 -1.653 0.000 0.265 318 M C 2.189 178.425 176.300 -0.107 0.000 1.068 318 M CA 1.250 56.506 55.300 -0.072 0.000 1.118 318 M CB -0.175 32.354 32.600 -0.118 0.000 1.395 318 M HN -0.000 nan 8.290 nan 0.000 0.435 319 K N 0.267 120.575 120.400 -0.155 0.000 2.217 319 K HA -0.068 3.260 4.320 -1.653 0.000 0.202 319 K C -0.265 176.075 176.600 -0.432 0.000 1.051 319 K CA 1.247 57.368 56.287 -0.278 0.000 0.952 319 K CB 0.024 32.340 32.500 -0.308 0.000 0.736 319 K HN 0.354 nan 8.250 nan 0.000 0.453 320 H N -0.286 118.746 119.070 -0.062 0.000 2.348 320 H HA 0.222 3.794 4.556 -1.640 0.000 0.232 320 H C -2.102 173.248 175.328 0.037 0.000 1.419 320 H CA -1.892 54.168 56.048 0.020 0.000 1.416 320 H CB 1.261 31.095 29.762 0.121 0.000 1.510 320 H HN 0.109 nan 8.280 nan 0.000 0.507 321 P HA -0.208 nan 4.420 nan 0.000 0.222 321 P C 1.300 178.655 177.300 0.092 0.000 1.147 321 P CA 1.081 64.225 63.100 0.072 0.000 0.790 321 P CB 0.620 32.343 31.700 0.037 0.000 0.780 322 E N 0.421 120.681 120.200 0.100 0.000 2.152 322 E HA -0.071 3.287 4.350 -1.653 0.000 0.192 322 E C 1.875 178.539 176.600 0.108 0.000 0.983 322 E CA 0.922 57.375 56.400 0.089 0.000 0.818 322 E CB -1.525 28.223 29.700 0.079 0.000 0.758 322 E HN 0.107 nan 8.360 nan 0.000 0.467 323 V N 2.120 122.137 119.914 0.172 0.000 2.358 323 V HA -0.237 2.891 4.120 -1.653 0.000 0.246 323 V C 2.649 178.860 176.094 0.196 0.000 1.047 323 V CA 2.136 64.581 62.300 0.242 0.000 1.035 323 V CB -0.668 31.311 31.823 0.259 0.000 0.658 323 V HN 0.360 nan 8.190 nan 0.000 0.452 324 E N 0.734 121.000 120.200 0.111 0.000 2.051 324 E HA -0.243 3.115 4.350 -1.653 0.000 0.192 324 E C 2.253 178.824 176.600 -0.047 0.000 0.991 324 E CA 1.465 57.858 56.400 -0.013 0.000 0.799 324 E CB -0.282 29.419 29.700 0.001 0.000 0.748 324 E HN 0.504 nan 8.360 nan 0.000 0.449 325 A N 1.462 124.334 122.820 0.087 0.000 1.903 325 A HA -0.290 3.038 4.320 -1.653 0.000 0.219 325 A C 2.123 179.743 177.584 0.060 0.000 1.191 325 A CA 2.276 54.391 52.037 0.129 0.000 0.638 325 A CB -0.584 18.466 19.000 0.084 0.000 0.823 325 A HN 0.249 nan 8.150 nan 0.000 0.451 326 K N -0.866 119.516 120.400 -0.030 0.000 2.148 326 K HA 0.007 3.335 4.320 -1.653 0.000 0.204 326 K C 1.859 178.381 176.600 -0.129 0.000 1.050 326 K CA 1.098 57.249 56.287 -0.227 0.000 0.942 326 K CB -0.271 31.850 32.500 -0.631 0.000 0.724 326 K HN 0.301 nan 8.250 nan 0.000 0.446 327 V N 0.864 120.827 119.914 0.082 0.000 2.343 327 V HA -0.272 2.856 4.120 -1.653 0.000 0.247 327 V C 1.833 177.977 176.094 0.084 0.000 1.051 327 V CA 1.830 64.213 62.300 0.139 0.000 1.036 327 V CB -0.511 31.340 31.823 0.047 0.000 0.654 327 V HN 0.368 nan 8.190 nan 0.000 0.451 328 H N -0.750 118.373 119.070 0.089 0.000 2.321 328 H HA -0.165 3.401 4.556 -1.650 0.000 0.300 328 H C 2.512 177.862 175.328 0.038 0.000 1.087 328 H CA 1.500 57.587 56.048 0.066 0.000 1.319 328 H CB 0.117 29.914 29.762 0.059 0.000 1.379 328 H HN 0.351 nan 8.280 nan 0.000 0.501 329 E N 1.267 121.549 120.200 0.136 0.000 2.049 329 E HA -0.257 3.101 4.350 -1.653 0.000 0.198 329 E C 2.093 178.724 176.600 0.053 0.000 1.007 329 E CA 1.497 57.931 56.400 0.057 0.000 0.809 329 E CB -0.030 29.667 29.700 -0.005 0.000 0.749 329 E HN 0.571 nan 8.360 nan 0.000 0.450 330 E N 0.121 120.354 120.200 0.055 0.000 2.031 330 E HA -0.167 3.191 4.350 -1.653 0.000 0.193 330 E C 2.464 179.120 176.600 0.092 0.000 0.994 330 E CA 1.176 57.620 56.400 0.073 0.000 0.800 330 E CB -0.153 29.612 29.700 0.108 0.000 0.752 330 E HN 0.290 nan 8.360 nan 0.000 0.447 331 I N 1.667 122.305 120.570 0.113 0.000 2.118 331 I HA -0.330 2.848 4.170 -1.653 0.000 0.241 331 I C 1.986 178.156 176.117 0.088 0.000 1.070 331 I CA 1.491 62.858 61.300 0.111 0.000 1.327 331 I CB -0.369 37.715 38.000 0.141 0.000 1.034 331 I HN 0.166 nan 8.210 nan 0.000 0.405 332 D N 0.130 120.579 120.400 0.083 0.000 2.144 332 D HA -0.192 3.456 4.640 -1.653 0.000 0.199 332 D C 2.145 178.469 176.300 0.041 0.000 0.984 332 D CA 1.108 55.139 54.000 0.052 0.000 0.834 332 D CB -0.283 40.541 40.800 0.040 0.000 0.955 332 D HN 0.344 nan 8.370 nan 0.000 0.465 333 R N 0.719 121.245 120.500 0.044 0.000 2.055 333 R HA -0.074 3.274 4.340 -1.653 0.000 0.228 333 R C 2.161 178.483 176.300 0.038 0.000 1.143 333 R CA 1.108 57.229 56.100 0.035 0.000 0.945 333 R CB -0.270 30.048 30.300 0.031 0.000 0.841 333 R HN -0.036 nan 8.270 nan 0.000 0.429 334 V N 0.804 120.748 119.914 0.051 0.000 2.323 334 V HA -0.156 2.972 4.120 -1.653 0.000 0.244 334 V C 2.219 178.346 176.094 0.055 0.000 1.041 334 V CA 1.756 64.088 62.300 0.054 0.000 1.025 334 V CB -0.240 31.625 31.823 0.071 0.000 0.656 334 V HN 0.363 nan 8.190 nan 0.000 0.451 335 I N -1.156 119.451 120.570 0.062 0.000 3.039 335 I HA 0.447 3.625 4.170 -1.653 0.000 0.270 335 I C 1.393 177.534 176.117 0.042 0.000 1.150 335 I CA 0.843 62.177 61.300 0.058 0.000 1.448 335 I CB -0.419 37.624 38.000 0.072 0.000 1.197 335 I HN 0.464 nan 8.210 nan 0.000 0.450 336 G N 1.681 110.504 108.800 0.038 0.000 2.693 336 G HA2 -0.275 2.693 3.960 -1.653 0.000 0.226 336 G HA3 -0.275 2.693 3.960 -1.653 0.000 0.226 336 G C 0.078 174.990 174.900 0.019 0.000 1.354 336 G CA 0.076 45.191 45.100 0.025 0.000 0.873 336 G HN 0.157 nan 8.290 nan 0.000 0.562 337 K N 0.324 120.728 120.400 0.007 0.000 2.323 337 K HA 0.203 3.531 4.320 -1.653 0.000 0.197 337 K C 2.159 178.755 176.600 -0.008 0.000 1.043 337 K CA 1.281 57.565 56.287 -0.006 0.000 0.997 337 K CB 0.049 32.540 32.500 -0.014 0.000 0.807 337 K HN 0.367 nan 8.250 nan 0.000 0.497 338 N N 0.632 119.332 118.700 0.001 0.000 2.428 338 N HA 0.001 3.749 4.740 -1.653 0.000 0.181 338 N C 0.336 175.850 175.510 0.006 0.000 1.028 338 N CA 0.428 53.479 53.050 0.001 0.000 0.877 338 N CB 0.067 38.557 38.487 0.004 0.000 1.064 338 N HN 0.175 nan 8.380 nan 0.000 0.434 339 R N 1.206 121.715 120.500 0.014 0.000 2.528 339 R HA 0.336 3.684 4.340 -1.653 0.000 0.271 339 R C -0.418 175.897 176.300 0.025 0.000 1.056 339 R CA -0.519 55.593 56.100 0.020 0.000 1.117 339 R CB 0.500 30.815 30.300 0.024 0.000 1.085 339 R HN -0.021 nan 8.270 nan 0.000 0.530 340 Q N 1.549 121.365 119.800 0.026 0.000 2.327 340 Q HA 0.250 3.598 4.340 -1.653 0.000 0.254 340 Q C -2.161 173.871 176.000 0.054 0.000 0.952 340 Q CA -1.945 53.877 55.803 0.032 0.000 0.884 340 Q CB 0.594 29.346 28.738 0.024 0.000 1.224 340 Q HN 0.460 nan 8.270 nan 0.000 0.422 341 P HA -0.087 nan 4.420 nan 0.000 0.265 341 P C -0.984 176.403 177.300 0.146 0.000 1.193 341 P CA 0.252 63.415 63.100 0.105 0.000 0.765 341 P CB 0.427 32.153 31.700 0.044 0.000 0.823 342 K N 2.315 122.836 120.400 0.200 0.000 2.306 342 K HA 0.356 3.684 4.320 -1.653 0.000 0.236 342 K C 0.207 177.008 176.600 0.335 0.000 1.013 342 K CA -0.646 55.766 56.287 0.209 0.000 0.857 342 K CB 0.625 33.201 32.500 0.127 0.000 1.214 342 K HN 0.084 nan 8.250 nan 0.000 0.449 343 F N 2.066 122.072 119.950 0.094 0.000 2.134 343 F HA -0.137 3.396 4.527 -1.656 0.000 0.299 343 F C 1.932 177.620 175.800 -0.186 0.000 1.097 343 F CA 2.078 60.073 58.000 -0.009 0.000 1.264 343 F CB -0.227 38.748 39.000 -0.041 0.000 1.001 343 F HN 0.845 nan 8.300 nan 0.000 0.479 344 E N -1.199 118.918 120.200 -0.139 0.000 2.401 344 E HA -0.197 3.161 4.350 -1.653 0.000 0.199 344 E C 1.404 177.862 176.600 -0.237 0.000 1.023 344 E CA 1.187 57.439 56.400 -0.247 0.000 0.859 344 E CB -0.604 29.037 29.700 -0.099 0.000 0.780 344 E HN 0.339 nan 8.360 nan 0.000 0.523 345 D N 1.512 121.836 120.400 -0.126 0.000 2.218 345 D HA -0.174 3.474 4.640 -1.653 0.000 0.204 345 D C 1.834 178.066 176.300 -0.114 0.000 0.976 345 D CA 0.760 54.757 54.000 -0.005 0.000 0.853 345 D CB -0.256 40.679 40.800 0.224 0.000 0.939 345 D HN 0.281 nan 8.370 nan 0.000 0.481 346 R N 0.887 121.046 120.500 -0.568 0.000 2.105 346 R HA -0.154 3.194 4.340 -1.653 0.000 0.239 346 R C 2.058 178.117 176.300 -0.403 0.000 1.135 346 R CA 1.387 57.037 56.100 -0.750 0.000 0.967 346 R CB -0.108 29.287 30.300 -1.509 0.000 0.861 346 R HN 0.080 nan 8.270 nan 0.000 0.442 347 A N 1.147 123.753 122.820 -0.357 0.000 1.917 347 A HA -0.194 3.134 4.320 -1.653 0.000 0.219 347 A C 1.777 179.290 177.584 -0.118 0.000 1.182 347 A CA 1.848 53.754 52.037 -0.219 0.000 0.633 347 A CB -0.209 18.680 19.000 -0.185 0.000 0.819 347 A HN 0.332 nan 8.150 nan 0.000 0.448 348 K N -1.121 119.230 120.400 -0.082 0.000 2.444 348 K HA 0.305 3.633 4.320 -1.653 0.000 0.193 348 K C 0.157 176.767 176.600 0.015 0.000 1.024 348 K CA 0.338 56.613 56.287 -0.021 0.000 1.077 348 K CB 0.296 32.794 32.500 -0.003 0.000 0.833 348 K HN 0.453 nan 8.250 nan 0.000 0.517 349 M N 1.517 121.122 119.600 0.008 0.000 2.746 349 M HA 0.172 3.659 4.480 -1.653 0.000 0.209 349 M C -1.960 174.380 176.300 0.066 0.000 1.077 349 M CA -1.534 53.813 55.300 0.078 0.000 0.695 349 M CB 1.212 33.913 32.600 0.168 0.000 1.416 349 M HN -0.135 nan 8.290 nan 0.000 0.459 350 P HA -0.199 nan 4.420 nan 0.000 0.218 350 P C 1.176 178.575 177.300 0.165 0.000 1.149 350 P CA 1.441 64.607 63.100 0.110 0.000 0.817 350 P CB 0.090 31.883 31.700 0.154 0.000 0.785 351 Y N 0.526 120.870 120.300 0.073 0.000 2.181 351 Y HA -0.154 3.411 4.550 -1.642 0.000 0.288 351 Y C 2.694 178.627 175.900 0.054 0.000 1.146 351 Y CA 1.764 59.903 58.100 0.065 0.000 1.164 351 Y CB -0.832 37.651 38.460 0.039 0.000 0.982 351 Y HN -0.215 nan 8.280 nan 0.000 0.515 352 M N 0.463 120.140 119.600 0.127 0.000 2.159 352 M HA -0.156 3.332 4.480 -1.653 0.000 0.263 352 M C 2.000 178.301 176.300 0.001 0.000 1.063 352 M CA 2.117 57.452 55.300 0.059 0.000 1.110 352 M CB -0.435 32.269 32.600 0.172 0.000 1.374 352 M HN 0.263 nan 8.290 nan 0.000 0.411 353 E N -0.231 119.958 120.200 -0.019 0.000 2.110 353 E HA -0.113 3.245 4.350 -1.653 0.000 0.193 353 E C 1.814 178.371 176.600 -0.071 0.000 0.988 353 E CA 1.739 58.038 56.400 -0.168 0.000 0.804 353 E CB -0.305 29.058 29.700 -0.563 0.000 0.745 353 E HN 0.572 nan 8.360 nan 0.000 0.458 354 A N -0.112 122.737 122.820 0.048 0.000 1.930 354 A HA -0.090 3.238 4.320 -1.653 0.000 0.217 354 A C 2.426 179.941 177.584 -0.115 0.000 1.175 354 A CA 1.383 53.496 52.037 0.127 0.000 0.627 354 A CB -0.618 18.420 19.000 0.062 0.000 0.815 354 A HN 0.198 nan 8.150 nan 0.000 0.443 355 V N 0.400 120.141 119.914 -0.287 0.000 2.261 355 V HA -0.285 2.843 4.120 -1.653 0.000 0.246 355 V C 2.431 178.393 176.094 -0.221 0.000 1.047 355 V CA 2.203 64.314 62.300 -0.315 0.000 1.015 355 V CB -0.759 30.856 31.823 -0.348 0.000 0.642 355 V HN 0.582 nan 8.190 nan 0.000 0.446 356 I N -0.648 119.800 120.570 -0.204 0.000 2.286 356 I HA -0.267 2.911 4.170 -1.653 0.000 0.248 356 I C 2.465 178.505 176.117 -0.129 0.000 1.115 356 I CA 1.714 62.909 61.300 -0.174 0.000 1.392 356 I CB -0.605 37.385 38.000 -0.017 0.000 1.065 356 I HN 0.349 nan 8.210 nan 0.000 0.418 357 H N 0.136 119.028 119.070 -0.295 0.000 2.352 357 H HA -0.207 3.348 4.556 -1.669 0.000 0.299 357 H C 2.162 177.268 175.328 -0.370 0.000 1.097 357 H CA 1.747 57.441 56.048 -0.590 0.000 1.311 357 H CB -0.005 28.928 29.762 -1.382 0.000 1.377 357 H HN 0.224 nan 8.280 nan 0.000 0.504 358 E N 0.453 120.582 120.200 -0.118 0.000 2.152 358 E HA -0.075 3.283 4.350 -1.653 0.000 0.192 358 E C 1.957 178.682 176.600 0.208 0.000 0.983 358 E CA 0.691 57.150 56.400 0.098 0.000 0.818 358 E CB -0.246 29.375 29.700 -0.132 0.000 0.758 358 E HN 0.483 nan 8.360 nan 0.000 0.467 359 I N 0.491 121.162 120.570 0.167 0.000 2.179 359 I HA -0.309 2.868 4.170 -1.653 0.000 0.242 359 I C 2.451 178.609 176.117 0.069 0.000 1.088 359 I CA 1.331 62.712 61.300 0.134 0.000 1.357 359 I CB -0.289 37.701 38.000 -0.016 0.000 1.051 359 I HN 0.174 nan 8.210 nan 0.000 0.409 360 Q N 0.035 119.872 119.800 0.061 0.000 2.124 360 Q HA -0.230 3.118 4.340 -1.653 0.000 0.202 360 Q C 2.365 178.340 176.000 -0.043 0.000 0.977 360 Q CA 1.270 57.068 55.803 -0.008 0.000 0.850 360 Q CB -0.232 28.503 28.738 -0.004 0.000 0.901 360 Q HN 0.436 nan 8.270 nan 0.000 0.429 361 R N 0.050 120.602 120.500 0.088 0.000 2.062 361 R HA -0.138 3.210 4.340 -1.653 0.000 0.231 361 R C 2.126 178.393 176.300 -0.055 0.000 1.136 361 R CA 1.227 57.343 56.100 0.026 0.000 0.948 361 R CB -0.302 30.086 30.300 0.146 0.000 0.845 361 R HN 0.185 nan 8.270 nan 0.000 0.430 362 F N 0.535 120.433 119.950 -0.086 0.000 2.046 362 F HA -0.123 3.385 4.527 -1.698 0.000 0.297 362 F C 2.205 177.826 175.800 -0.298 0.000 1.123 362 F CA 2.118 60.036 58.000 -0.137 0.000 1.199 362 F CB -0.795 38.193 39.000 -0.020 0.000 0.972 362 F HN 0.156 nan 8.300 nan 0.000 0.474 363 G N -0.916 107.768 108.800 -0.194 0.000 2.440 363 G HA2 -0.342 2.626 3.960 -1.653 0.000 0.218 363 G HA3 -0.342 2.626 3.960 -1.653 0.000 0.218 363 G C 0.226 175.025 174.900 -0.169 0.000 1.154 363 G CA 1.039 45.915 45.100 -0.372 0.000 0.767 363 G HN 0.507 nan 8.290 nan 0.000 0.552 364 D N -1.080 119.205 120.400 -0.191 0.000 2.803 364 D HA -0.145 3.503 4.640 -1.653 0.000 0.233 364 D C 1.310 177.505 176.300 -0.176 0.000 1.182 364 D CA 0.560 54.426 54.000 -0.222 0.000 0.726 364 D CB -1.062 39.563 40.800 -0.293 0.000 0.987 364 D HN 0.142 nan 8.370 nan 0.000 0.412 365 V N 0.807 120.640 119.914 -0.135 0.000 2.407 365 V HA -0.133 2.995 4.120 -1.653 0.000 0.248 365 V C 1.579 177.568 176.094 -0.175 0.000 1.055 365 V CA 1.168 63.431 62.300 -0.063 0.000 1.049 365 V CB -0.231 31.605 31.823 0.021 0.000 0.662 365 V HN 0.551 nan 8.190 nan 0.000 0.455 366 I N 1.947 122.364 120.570 -0.256 0.000 2.557 366 I HA 0.244 3.422 4.170 -1.653 0.000 0.277 366 I C -1.684 174.249 176.117 -0.305 0.000 1.106 366 I CA -1.948 59.123 61.300 -0.381 0.000 1.180 366 I CB 0.739 38.515 38.000 -0.372 0.000 1.392 366 I HN 0.181 nan 8.210 nan 0.000 0.506 367 P HA -0.011 nan 4.420 nan 0.000 0.223 367 P C 0.943 178.196 177.300 -0.077 0.000 1.151 367 P CA 1.154 64.125 63.100 -0.215 0.000 0.787 367 P CB 0.543 32.075 31.700 -0.280 0.000 0.788 368 M N -1.069 118.454 119.600 -0.127 0.000 2.589 368 M HA 0.307 3.795 4.480 -1.653 0.000 0.344 368 M C 0.813 176.977 176.300 -0.226 0.000 1.168 368 M CA -0.029 55.194 55.300 -0.128 0.000 0.956 368 M CB 0.830 33.319 32.600 -0.184 0.000 1.370 368 M HN -0.082 nan 8.290 nan 0.000 0.518 369 G N 2.337 111.025 108.800 -0.187 0.000 2.641 369 G HA2 -0.266 2.702 3.960 -1.653 0.000 0.254 369 G HA3 -0.266 2.702 3.960 -1.653 0.000 0.254 369 G C -1.055 173.791 174.900 -0.090 0.000 1.315 369 G CA -0.594 44.415 45.100 -0.152 0.000 0.907 369 G HN 0.348 nan 8.290 nan 0.000 0.572 370 L N 0.530 121.741 121.223 -0.019 0.000 2.313 370 L HA 0.777 4.125 4.340 -1.653 0.000 0.283 370 L C 1.007 177.896 176.870 0.031 0.000 1.013 370 L CA 0.362 55.254 54.840 0.087 0.000 0.816 370 L CB 1.103 43.226 42.059 0.106 0.000 1.236 370 L HN 1.903 nan 8.230 nan 0.000 0.419 371 A N 5.538 128.391 122.820 0.055 0.000 2.580 371 A HA 0.244 3.572 4.320 -1.653 0.000 0.244 371 A C 0.341 177.982 177.584 0.096 0.000 1.045 371 A CA 0.185 52.290 52.037 0.113 0.000 0.761 371 A CB -0.290 18.858 19.000 0.248 0.000 0.962 371 A HN 0.714 nan 8.150 nan 0.000 0.512 372 R N 1.168 121.719 120.500 0.085 0.000 2.602 372 R HA 0.729 4.077 4.340 -1.653 0.000 0.237 372 R C 0.234 176.559 176.300 0.042 0.000 1.219 372 R CA -0.484 55.651 56.100 0.059 0.000 1.121 372 R CB 0.799 31.141 30.300 0.069 0.000 1.408 372 R HN 0.981 nan 8.270 nan 0.000 0.559 373 R N -2.028 118.471 120.500 -0.002 0.000 2.629 373 R HA 0.346 3.694 4.340 -1.653 0.000 0.266 373 R C -0.730 175.485 176.300 -0.142 0.000 1.051 373 R CA -0.956 55.106 56.100 -0.063 0.000 0.895 373 R CB 0.869 31.140 30.300 -0.049 0.000 1.246 373 R HN 0.358 nan 8.270 nan 0.000 0.459 374 V N 1.160 120.927 119.914 -0.247 0.000 2.572 374 V HA 0.242 3.370 4.120 -1.653 0.000 0.291 374 V C 0.735 176.701 176.094 -0.213 0.000 1.039 374 V CA -0.355 61.733 62.300 -0.353 0.000 1.055 374 V CB 1.395 32.895 31.823 -0.538 0.000 0.969 374 V HN 0.923 nan 8.190 nan 0.000 0.482 375 K N 3.381 123.673 120.400 -0.181 0.000 2.103 375 K HA 0.085 3.413 4.320 -1.653 0.000 0.204 375 K C 0.884 177.429 176.600 -0.092 0.000 1.052 375 K CA 1.486 57.710 56.287 -0.105 0.000 0.945 375 K CB 0.023 32.480 32.500 -0.072 0.000 0.722 375 K HN 0.965 nan 8.250 nan 0.000 0.443 376 K N -0.882 119.449 120.400 -0.115 0.000 2.430 376 K HA 0.255 3.583 4.320 -1.653 0.000 0.268 376 K C -1.240 175.291 176.600 -0.116 0.000 1.043 376 K CA -0.763 55.475 56.287 -0.082 0.000 0.899 376 K CB 0.248 32.726 32.500 -0.036 0.000 1.472 376 K HN -0.329 nan 8.250 nan 0.000 0.451 377 D N 1.745 122.114 120.400 -0.053 0.000 2.520 377 D HA 0.110 3.758 4.640 -1.653 0.000 0.243 377 D C -0.763 175.496 176.300 -0.068 0.000 1.160 377 D CA 0.959 54.929 54.000 -0.050 0.000 0.877 377 D CB 0.303 41.227 40.800 0.207 0.000 1.150 377 D HN 0.341 nan 8.370 nan 0.000 0.494 378 T N 3.090 117.505 114.554 -0.233 0.000 2.824 378 T HA 0.266 3.624 4.350 -1.653 0.000 0.282 378 T C 0.126 174.826 174.700 0.000 0.000 0.993 378 T CA -0.862 61.159 62.100 -0.132 0.000 0.967 378 T CB 1.806 70.495 68.868 -0.300 0.000 0.960 378 T HN 0.144 nan 8.240 nan 0.000 0.441 379 K N 3.085 123.586 120.400 0.168 0.000 2.211 379 K HA 0.530 3.858 4.320 -1.653 0.000 0.275 379 K C -1.596 175.213 176.600 0.347 0.000 1.024 379 K CA -0.648 55.794 56.287 0.259 0.000 0.887 379 K CB 0.602 33.233 32.500 0.219 0.000 1.084 379 K HN 0.573 nan 8.250 nan 0.000 0.463 380 F N 4.873 124.954 119.950 0.219 0.000 2.831 380 F HA 0.317 3.851 4.527 -1.656 0.000 0.346 380 F C -0.360 175.596 175.800 0.261 0.000 1.224 380 F CA -0.437 57.721 58.000 0.264 0.000 1.048 380 F CB 0.791 40.036 39.000 0.409 0.000 1.339 380 F HN 0.822 nan 8.300 nan 0.000 0.514 381 R N 3.897 124.199 120.500 -0.329 0.000 3.531 381 R HA -0.205 3.143 4.340 -1.653 0.000 0.280 381 R C -0.447 175.600 176.300 -0.421 0.000 1.130 381 R CA 1.035 56.891 56.100 -0.407 0.000 0.757 381 R CB -1.627 28.361 30.300 -0.520 0.000 1.218 381 R HN 0.856 nan 8.270 nan 0.000 0.454 382 D N -2.573 117.691 120.400 -0.228 0.000 3.012 382 D HA -0.221 3.427 4.640 -1.653 0.000 0.222 382 D C -0.267 175.837 176.300 -0.327 0.000 1.167 382 D CA 1.920 55.781 54.000 -0.231 0.000 0.854 382 D CB -1.218 39.427 40.800 -0.259 0.000 1.107 382 D HN 0.375 nan 8.370 nan 0.000 0.421 383 F N -0.516 119.501 119.950 0.112 0.000 2.450 383 F HA 0.599 4.133 4.527 -1.654 0.000 0.328 383 F C 0.542 176.485 175.800 0.239 0.000 1.068 383 F CA -1.292 56.811 58.000 0.171 0.000 1.007 383 F CB 0.983 40.092 39.000 0.182 0.000 1.251 383 F HN -0.156 nan 8.300 nan 0.000 0.492 384 F N 2.376 122.499 119.950 0.288 0.000 2.482 384 F HA 0.693 4.228 4.527 -1.652 0.000 0.331 384 F C -1.687 174.198 175.800 0.141 0.000 1.115 384 F CA -0.992 57.113 58.000 0.174 0.000 0.955 384 F CB 0.993 40.059 39.000 0.110 0.000 1.136 384 F HN 0.193 nan 8.300 nan 0.000 0.452 385 L N 8.523 129.336 121.223 -0.684 0.000 2.345 385 L HA 0.499 3.847 4.340 -1.653 0.000 0.274 385 L C -2.270 174.019 176.870 -0.969 0.000 0.999 385 L CA -1.837 52.630 54.840 -0.623 0.000 0.849 385 L CB 1.385 43.251 42.059 -0.323 0.000 1.220 385 L HN 0.462 nan 8.230 nan 0.000 0.422 386 P HA -0.006 nan 4.420 nan 0.000 0.269 386 P C -0.454 176.671 177.300 -0.293 0.000 1.215 386 P CA -0.499 62.305 63.100 -0.492 0.000 0.780 386 P CB 0.552 32.179 31.700 -0.123 0.000 0.898 387 K N 1.220 121.520 120.400 -0.167 0.000 2.550 387 K HA 0.087 3.415 4.320 -1.653 0.000 0.280 387 K C 1.176 177.710 176.600 -0.110 0.000 0.987 387 K CA 1.255 57.467 56.287 -0.124 0.000 1.048 387 K CB -0.815 31.652 32.500 -0.056 0.000 0.879 387 K HN 0.802 nan 8.250 nan 0.000 0.491 388 G N 2.408 111.138 108.800 -0.116 0.000 2.179 388 G HA2 -0.248 2.720 3.960 -1.653 0.000 0.260 388 G HA3 -0.248 2.720 3.960 -1.653 0.000 0.260 388 G C 0.098 174.936 174.900 -0.103 0.000 0.977 388 G CA 0.417 45.464 45.100 -0.089 0.000 0.641 388 G HN 0.680 nan 8.290 nan 0.000 0.533 389 T N 1.824 116.290 114.554 -0.148 0.000 2.817 389 T HA 0.364 3.722 4.350 -1.653 0.000 0.295 389 T C 0.538 175.153 174.700 -0.142 0.000 0.958 389 T CA 0.282 62.287 62.100 -0.159 0.000 1.157 389 T CB 1.123 69.867 68.868 -0.208 0.000 0.898 389 T HN 0.423 nan 8.240 nan 0.000 0.536 390 E N 1.724 121.851 120.200 -0.122 0.000 2.383 390 E HA 0.347 3.705 4.350 -1.653 0.000 0.264 390 E C -0.692 175.851 176.600 -0.095 0.000 1.050 390 E CA -0.308 56.041 56.400 -0.085 0.000 0.896 390 E CB 0.804 30.456 29.700 -0.080 0.000 0.982 390 E HN 0.269 nan 8.360 nan 0.000 0.424 391 V N 3.657 123.573 119.914 0.002 0.000 2.623 391 V HA 0.167 3.295 4.120 -1.653 0.000 0.304 391 V C -1.280 174.934 176.094 0.201 0.000 1.054 391 V CA -0.658 61.662 62.300 0.034 0.000 0.882 391 V CB 1.336 33.204 31.823 0.074 0.000 1.002 391 V HN 0.641 nan 8.190 nan 0.000 0.424 392 Y N 5.652 125.885 120.300 -0.112 0.000 2.504 392 Y HA 0.350 3.909 4.550 -1.652 0.000 0.339 392 Y C -2.135 173.706 175.900 -0.100 0.000 0.974 392 Y CA -2.573 55.472 58.100 -0.092 0.000 1.232 392 Y CB 2.062 40.452 38.460 -0.116 0.000 1.108 392 Y HN 0.460 nan 8.280 nan 0.000 0.509 393 P HA 0.083 nan 4.420 nan 0.000 0.284 393 P C -0.410 176.864 177.300 -0.042 0.000 1.343 393 P CA -0.239 62.835 63.100 -0.044 0.000 0.826 393 P CB 0.579 32.239 31.700 -0.067 0.000 0.956 394 M N 4.424 124.016 119.600 -0.012 0.000 3.254 394 M HA 0.092 3.580 4.480 -1.653 0.000 0.257 394 M C 1.193 177.523 176.300 0.049 0.000 1.490 394 M CA 0.048 55.372 55.300 0.040 0.000 1.620 394 M CB -0.719 31.913 32.600 0.054 0.000 1.157 394 M HN 0.342 nan 8.290 nan 0.000 0.541 395 L N 0.752 121.967 121.223 -0.014 0.000 2.127 395 L HA -0.166 3.182 4.340 -1.653 0.000 0.211 395 L C 2.339 179.187 176.870 -0.036 0.000 1.089 395 L CA 1.429 56.235 54.840 -0.056 0.000 0.757 395 L CB -0.844 41.140 42.059 -0.124 0.000 0.899 395 L HN 0.722 nan 8.230 nan 0.000 0.434 396 G N -0.299 108.502 108.800 0.002 0.000 2.432 396 G HA2 -0.261 2.707 3.960 -1.653 0.000 0.219 396 G HA3 -0.261 2.707 3.960 -1.653 0.000 0.219 396 G C 1.781 176.742 174.900 0.101 0.000 1.135 396 G CA 0.952 46.008 45.100 -0.073 0.000 0.767 396 G HN 0.519 nan 8.290 nan 0.000 0.550 397 S N -0.027 115.856 115.700 0.305 0.000 2.461 397 S HA 0.027 3.505 4.470 -1.653 0.000 0.228 397 S C 2.192 176.877 174.600 0.141 0.000 1.005 397 S CA 1.044 59.397 58.200 0.254 0.000 0.942 397 S CB 0.004 63.312 63.200 0.180 0.000 0.776 397 S HN 0.098 nan 8.310 nan 0.000 0.514 398 V N 2.148 122.116 119.914 0.089 0.000 2.302 398 V HA -0.001 3.127 4.120 -1.653 0.000 0.243 398 V C 2.516 178.691 176.094 0.136 0.000 1.036 398 V CA 1.437 63.779 62.300 0.070 0.000 1.020 398 V CB -0.939 30.889 31.823 0.008 0.000 0.657 398 V HN 0.441 nan 8.190 nan 0.000 0.453 399 L N -0.462 120.802 121.223 0.069 0.000 2.261 399 L HA -0.143 3.205 4.340 -1.653 0.000 0.216 399 L C 2.332 179.176 176.870 -0.043 0.000 1.114 399 L CA 1.518 56.366 54.840 0.014 0.000 0.777 399 L CB -0.372 41.606 42.059 -0.136 0.000 0.910 399 L HN 0.240 nan 8.230 nan 0.000 0.440 400 R N -0.898 119.637 120.500 0.058 0.000 2.509 400 R HA 0.067 3.415 4.340 -1.653 0.000 0.300 400 R C 0.033 176.460 176.300 0.212 0.000 0.985 400 R CA -0.269 55.878 56.100 0.077 0.000 1.092 400 R CB 0.231 30.545 30.300 0.023 0.000 1.237 400 R HN 0.083 nan 8.270 nan 0.000 0.546 401 D N 1.378 121.951 120.400 0.289 0.000 2.412 401 D HA -0.003 3.645 4.640 -1.653 0.000 0.257 401 D C -1.682 174.779 176.300 0.267 0.000 1.217 401 D CA -1.630 52.522 54.000 0.253 0.000 0.897 401 D CB 1.545 42.475 40.800 0.217 0.000 1.132 401 D HN -0.023 nan 8.370 nan 0.000 0.493 402 P HA -0.068 nan 4.420 nan 0.000 0.221 402 P C 1.118 178.453 177.300 0.059 0.000 1.145 402 P CA 0.654 63.826 63.100 0.121 0.000 0.795 402 P CB 0.307 32.060 31.700 0.090 0.000 0.775 403 S N -2.029 113.716 115.700 0.074 0.000 2.481 403 S HA 0.012 3.490 4.470 -1.653 0.000 0.231 403 S C 0.969 175.324 174.600 -0.408 0.000 0.996 403 S CA 0.933 59.065 58.200 -0.113 0.000 0.942 403 S CB -0.659 62.497 63.200 -0.072 0.000 0.768 403 S HN 0.155 nan 8.310 nan 0.000 0.520 404 F N -0.835 118.903 119.950 -0.354 0.000 2.740 404 F HA 0.441 3.957 4.527 -1.686 0.000 0.304 404 F C -0.094 175.073 175.800 -1.055 0.000 1.098 404 F CA -0.526 57.023 58.000 -0.752 0.000 1.258 404 F CB 0.539 38.951 39.000 -0.980 0.000 1.061 404 F HN -0.008 nan 8.300 nan 0.000 0.598 405 F N -0.437 119.500 119.950 -0.021 0.000 2.547 405 F HA 0.272 4.490 4.527 -0.514 0.000 0.316 405 F C 1.293 177.070 175.800 -0.038 0.000 1.121 405 F CA -0.860 57.036 58.000 -0.172 0.000 0.911 405 F CB 1.590 40.300 39.000 -0.484 0.000 1.179 405 F HN -0.197 nan 8.300 nan 0.000 0.443 406 S N 1.583 117.438 115.700 0.259 0.000 2.368 406 S HA -0.113 3.364 4.470 -1.653 0.000 0.225 406 S C 0.358 175.084 174.600 0.210 0.000 1.030 406 S CA 1.126 59.436 58.200 0.183 0.000 0.999 406 S CB -0.454 62.826 63.200 0.134 0.000 0.844 406 S HN 0.717 nan 8.310 nan 0.000 0.459 407 N N 1.820 120.746 118.700 0.376 0.000 2.790 407 N HA 0.368 4.116 4.740 -1.653 0.000 0.256 407 N C -2.527 173.143 175.510 0.267 0.000 1.409 407 N CA -1.475 51.736 53.050 0.269 0.000 0.799 407 N CB 2.045 40.657 38.487 0.207 0.000 1.170 407 N HN 0.194 nan 8.380 nan 0.000 0.507 408 P HA -0.215 nan 4.420 nan 0.000 0.219 408 P C 0.591 177.911 177.300 0.035 0.000 1.146 408 P CA 1.359 64.470 63.100 0.018 0.000 0.808 408 P CB 0.434 32.176 31.700 0.069 0.000 0.779 409 Q N -0.530 119.331 119.800 0.102 0.000 2.451 409 Q HA 0.056 3.404 4.340 -1.653 0.000 0.206 409 Q C 0.271 176.442 176.000 0.284 0.000 0.947 409 Q CA 0.700 56.568 55.803 0.108 0.000 0.937 409 Q CB -0.157 28.638 28.738 0.096 0.000 1.025 409 Q HN 0.403 nan 8.270 nan 0.000 0.511 410 D N -0.021 120.574 120.400 0.326 0.000 2.277 410 D HA 0.199 3.847 4.640 -1.653 0.000 0.250 410 D C -0.806 175.771 176.300 0.462 0.000 1.032 410 D CA -0.570 53.656 54.000 0.377 0.000 0.947 410 D CB 0.907 41.842 40.800 0.225 0.000 1.159 410 D HN -0.095 nan 8.370 nan 0.000 0.460 411 F N 1.972 121.956 119.950 0.057 0.000 2.404 411 F HA 0.341 3.879 4.527 -1.649 0.000 0.358 411 F C -0.305 175.330 175.800 -0.275 0.000 1.120 411 F CA -0.390 57.459 58.000 -0.251 0.000 1.144 411 F CB 0.291 38.788 39.000 -0.839 0.000 1.133 411 F HN 0.009 nan 8.300 nan 0.000 0.495 412 N N 7.942 126.239 118.700 -0.672 0.000 2.875 412 N HA 0.251 3.999 4.740 -1.653 0.000 0.253 412 N C -2.458 172.733 175.510 -0.532 0.000 1.296 412 N CA -1.532 51.182 53.050 -0.558 0.000 0.816 412 N CB 1.770 39.931 38.487 -0.545 0.000 1.504 412 N HN 0.151 nan 8.380 nan 0.000 0.582 413 P HA -0.140 nan 4.420 nan 0.000 0.220 413 P C 1.137 178.345 177.300 -0.154 0.000 1.144 413 P CA 1.110 64.003 63.100 -0.346 0.000 0.800 413 P CB 0.491 31.893 31.700 -0.497 0.000 0.772 414 Q N -1.293 118.390 119.800 -0.195 0.000 2.181 414 Q HA -0.204 3.144 4.340 -1.653 0.000 0.205 414 Q C 1.910 177.824 176.000 -0.143 0.000 0.980 414 Q CA 1.514 57.233 55.803 -0.140 0.000 0.862 414 Q CB -1.346 27.306 28.738 -0.144 0.000 0.905 414 Q HN 0.554 nan 8.270 nan 0.000 0.429 415 H N -1.041 117.953 119.070 -0.126 0.000 2.407 415 H HA -0.190 3.725 4.556 -1.069 0.000 0.293 415 H C 0.550 175.578 175.328 -0.498 0.000 1.122 415 H CA 1.334 57.238 56.048 -0.240 0.000 1.232 415 H CB -0.136 29.480 29.762 -0.243 0.000 1.361 415 H HN 0.181 nan 8.280 nan 0.000 0.498 416 F N -0.222 119.709 119.950 -0.031 0.000 2.708 416 F HA 0.253 3.787 4.527 -1.656 0.000 0.300 416 F C -0.516 175.054 175.800 -0.383 0.000 1.118 416 F CA -0.203 57.627 58.000 -0.283 0.000 1.307 416 F CB 0.825 39.684 39.000 -0.235 0.000 0.986 416 F HN -0.055 nan 8.300 nan 0.000 0.522 417 L N 0.646 121.795 121.223 -0.123 0.000 2.431 417 L HA 0.360 3.708 4.340 -1.653 0.000 0.266 417 L C -0.226 176.591 176.870 -0.089 0.000 0.978 417 L CA -1.131 53.666 54.840 -0.072 0.000 0.822 417 L CB 1.465 43.534 42.059 0.016 0.000 1.310 417 L HN 0.118 nan 8.230 nan 0.000 0.409 418 N N 1.254 119.910 118.700 -0.072 0.000 2.418 418 N HA 0.159 3.907 4.740 -1.653 0.000 0.283 418 N C 0.563 176.054 175.510 -0.032 0.000 1.267 418 N CA -0.342 52.672 53.050 -0.060 0.000 0.975 418 N CB 0.409 38.861 38.487 -0.059 0.000 1.167 418 N HN 0.440 nan 8.380 nan 0.000 0.581 419 E N -0.141 120.040 120.200 -0.032 0.000 2.130 419 E HA -0.171 3.187 4.350 -1.653 0.000 0.196 419 E C 0.610 177.204 176.600 -0.010 0.000 0.998 419 E CA 1.284 57.671 56.400 -0.021 0.000 0.806 419 E CB -0.181 29.504 29.700 -0.025 0.000 0.738 419 E HN 0.574 nan 8.360 nan 0.000 0.459 420 K N -0.253 120.144 120.400 -0.006 0.000 2.522 420 K HA 0.113 3.441 4.320 -1.653 0.000 0.194 420 K C 1.058 177.668 176.600 0.017 0.000 1.026 420 K CA 0.603 56.892 56.287 0.003 0.000 1.119 420 K CB 0.355 32.856 32.500 0.002 0.000 0.856 420 K HN 0.224 nan 8.250 nan 0.000 0.513 421 G N 2.032 110.848 108.800 0.027 0.000 2.153 421 G HA2 -0.306 2.662 3.960 -1.653 0.000 0.252 421 G HA3 -0.306 2.662 3.960 -1.653 0.000 0.252 421 G C -0.260 174.691 174.900 0.085 0.000 0.994 421 G CA 0.239 45.377 45.100 0.063 0.000 0.698 421 G HN 0.461 nan 8.290 nan 0.000 0.521 422 Q N -1.105 118.729 119.800 0.057 0.000 2.222 422 Q HA 0.624 3.972 4.340 -1.653 0.000 0.252 422 Q C 0.027 176.074 176.000 0.078 0.000 0.926 422 Q CA -1.079 54.769 55.803 0.075 0.000 0.899 422 Q CB 1.583 30.348 28.738 0.046 0.000 1.250 422 Q HN 0.295 nan 8.270 nan 0.000 0.441 423 F N 2.208 122.149 119.950 -0.015 0.000 2.578 423 F HA 0.028 3.563 4.527 -1.653 0.000 0.376 423 F C 0.083 175.862 175.800 -0.036 0.000 1.085 423 F CA 0.632 58.609 58.000 -0.039 0.000 1.260 423 F CB 0.431 39.378 39.000 -0.087 0.000 1.095 423 F HN 0.236 nan 8.300 nan 0.000 0.573 424 K N 7.514 127.360 120.400 -0.922 0.000 2.572 424 K HA 0.200 3.528 4.320 -1.653 0.000 0.244 424 K C -0.598 175.540 176.600 -0.769 0.000 0.965 424 K CA -0.701 55.225 56.287 -0.602 0.000 0.943 424 K CB 0.812 33.103 32.500 -0.348 0.000 1.154 424 K HN 0.659 nan 8.250 nan 0.000 0.447 425 K N 1.178 121.303 120.400 -0.458 0.000 2.440 425 K HA -0.001 3.327 4.320 -1.653 0.000 0.270 425 K C 0.058 176.657 176.600 -0.002 0.000 0.980 425 K CA 0.379 56.596 56.287 -0.117 0.000 0.953 425 K CB 0.910 33.473 32.500 0.106 0.000 0.925 425 K HN 0.407 nan 8.250 nan 0.000 0.497 426 S N 0.626 116.447 115.700 0.203 0.000 2.526 426 S HA 0.141 3.619 4.470 -1.653 0.000 0.293 426 S C 0.055 174.830 174.600 0.291 0.000 1.092 426 S CA -0.801 57.527 58.200 0.213 0.000 0.980 426 S CB 1.369 64.700 63.200 0.219 0.000 1.048 426 S HN 0.477 nan 8.310 nan 0.000 0.483 427 D N 3.164 123.678 120.400 0.190 0.000 2.224 427 D HA 0.075 3.723 4.640 -1.653 0.000 0.205 427 D C 1.829 178.183 176.300 0.090 0.000 0.965 427 D CA 1.204 55.308 54.000 0.173 0.000 0.852 427 D CB -0.136 40.769 40.800 0.176 0.000 0.947 427 D HN 0.648 nan 8.370 nan 0.000 0.494 428 A N 0.024 122.721 122.820 -0.205 0.000 2.248 428 A HA -0.081 3.247 4.320 -1.653 0.000 0.210 428 A C 0.701 178.494 177.584 0.349 0.000 1.174 428 A CA -0.150 51.821 52.037 -0.110 0.000 0.750 428 A CB -0.839 17.900 19.000 -0.435 0.000 0.780 428 A HN 0.157 nan 8.150 nan 0.000 0.478 429 F N 1.351 121.496 119.950 0.326 0.000 2.515 429 F HA 0.376 3.882 4.527 -1.701 0.000 0.353 429 F C 0.670 176.606 175.800 0.228 0.000 1.213 429 F CA -0.485 57.740 58.000 0.375 0.000 1.194 429 F CB 0.846 40.170 39.000 0.539 0.000 1.488 429 F HN 0.029 nan 8.300 nan 0.000 0.619 430 V N 4.788 124.559 119.914 -0.238 0.000 2.778 430 V HA 0.357 3.485 4.120 -1.653 0.000 0.356 430 V C -2.035 173.842 176.094 -0.362 0.000 1.283 430 V CA -0.852 61.324 62.300 -0.207 0.000 1.247 430 V CB 0.031 31.813 31.823 -0.067 0.000 1.408 430 V HN 0.428 nan 8.190 nan 0.000 0.620 431 P HA 0.013 nan 4.420 nan 0.000 0.221 431 P C 0.946 177.867 177.300 -0.632 0.000 1.150 431 P CA 1.143 63.819 63.100 -0.708 0.000 0.800 431 P CB 0.014 31.119 31.700 -0.992 0.000 0.787 432 F N -0.510 119.318 119.950 -0.203 0.000 2.692 432 F HA 0.292 3.832 4.527 -1.645 0.000 0.303 432 F C 1.453 177.195 175.800 -0.097 0.000 1.114 432 F CA 0.030 57.960 58.000 -0.117 0.000 1.361 432 F CB -0.716 38.246 39.000 -0.064 0.000 1.063 432 F HN -0.098 nan 8.300 nan 0.000 0.550 433 S N 0.443 116.141 115.700 -0.004 0.000 3.585 433 S HA -0.196 3.282 4.470 -1.653 0.000 0.638 433 S C -0.471 174.147 174.600 0.030 0.000 2.340 433 S CA 0.469 58.659 58.200 -0.016 0.000 2.517 433 S CB -0.839 62.345 63.200 -0.026 0.000 0.329 433 S HN 0.445 nan 8.310 nan 0.000 1.795 434 I N -1.450 119.125 120.570 0.008 0.000 3.195 434 I HA 0.819 3.997 4.170 -1.653 0.000 0.313 434 I C 0.600 176.725 176.117 0.013 0.000 1.237 434 I CA -0.338 60.975 61.300 0.023 0.000 0.963 434 I CB 1.411 39.416 38.000 0.010 0.000 1.278 434 I HN 1.935 nan 8.210 nan 0.000 0.460 435 G N 2.296 111.112 108.800 0.026 0.000 2.587 435 G HA2 -0.140 2.828 3.960 -1.653 0.000 0.212 435 G HA3 -0.140 2.828 3.960 -1.653 0.000 0.212 435 G C 0.066 174.991 174.900 0.043 0.000 1.327 435 G CA -0.059 45.058 45.100 0.028 0.000 0.898 435 G HN 0.731 nan 8.290 nan 0.000 0.551 436 K N 0.160 120.588 120.400 0.046 0.000 2.296 436 K HA 0.077 3.405 4.320 -1.653 0.000 0.200 436 K C 1.799 178.434 176.600 0.058 0.000 1.048 436 K CA 0.860 57.178 56.287 0.051 0.000 0.966 436 K CB 0.045 32.574 32.500 0.048 0.000 0.754 436 K HN 0.361 nan 8.250 nan 0.000 0.466 437 R N 2.166 122.696 120.500 0.050 0.000 2.652 437 R HA 0.086 3.434 4.340 -1.653 0.000 0.372 437 R C 0.009 176.330 176.300 0.035 0.000 1.104 437 R CA -0.365 55.764 56.100 0.048 0.000 1.072 437 R CB -0.266 30.047 30.300 0.022 0.000 1.367 437 R HN 0.304 nan 8.270 nan 0.000 0.577 438 N N 0.149 118.878 118.700 0.049 0.000 2.297 438 N HA -0.115 3.633 4.740 -1.653 0.000 0.232 438 N C 0.188 175.718 175.510 0.034 0.000 1.311 438 N CA -0.182 52.894 53.050 0.043 0.000 0.897 438 N CB 0.422 38.946 38.487 0.061 0.000 1.137 438 N HN -0.015 nan 8.380 nan 0.000 0.449 439 C N 2.701 122.013 119.300 0.019 0.000 2.601 439 C HA 0.107 3.575 4.460 -1.653 0.000 0.405 439 C C 1.518 176.481 174.990 -0.044 0.000 1.441 439 C CA -0.654 58.332 59.018 -0.054 0.000 1.555 439 C CB -2.360 25.432 27.740 0.086 0.000 2.450 439 C HN 0.679 nan 8.230 nan 0.000 0.614 440 F N 3.425 123.358 119.950 -0.029 0.000 2.765 440 F HA 0.341 3.876 4.527 -1.652 0.000 0.302 440 F C 1.552 177.315 175.800 -0.062 0.000 1.111 440 F CA 0.128 58.102 58.000 -0.043 0.000 1.359 440 F CB -0.855 38.133 39.000 -0.020 0.000 1.097 440 F HN 0.525 nan 8.300 nan 0.000 0.577 441 G N 0.375 109.090 108.800 -0.141 0.000 2.985 441 G HA2 -0.097 2.871 3.960 -1.653 0.000 0.209 441 G HA3 -0.097 2.871 3.960 -1.653 0.000 0.209 441 G C 1.382 176.190 174.900 -0.153 0.000 1.165 441 G CA 0.417 45.464 45.100 -0.089 0.000 0.776 441 G HN 0.507 nan 8.290 nan 0.000 0.541 442 E N 0.586 120.607 120.200 -0.297 0.000 2.108 442 E HA -0.173 3.185 4.350 -1.653 0.000 0.203 442 E C 2.496 178.792 176.600 -0.507 0.000 1.022 442 E CA 1.600 57.541 56.400 -0.765 0.000 0.823 442 E CB -0.531 28.662 29.700 -0.845 0.000 0.744 442 E HN 0.289 nan 8.360 nan 0.000 0.456 443 G N 1.037 109.684 108.800 -0.256 0.000 2.421 443 G HA2 -0.264 2.704 3.960 -1.653 0.000 0.216 443 G HA3 -0.264 2.704 3.960 -1.653 0.000 0.216 443 G C 1.502 176.295 174.900 -0.178 0.000 1.171 443 G CA 0.843 45.841 45.100 -0.169 0.000 0.775 443 G HN 0.319 nan 8.290 nan 0.000 0.543 444 L N 1.593 122.735 121.223 -0.135 0.000 1.990 444 L HA -0.010 3.338 4.340 -1.653 0.000 0.213 444 L C 3.131 179.950 176.870 -0.086 0.000 1.072 444 L CA 2.497 57.271 54.840 -0.110 0.000 0.755 444 L CB -0.923 41.109 42.059 -0.045 0.000 0.889 444 L HN 0.261 nan 8.230 nan 0.000 0.432 445 A N -0.427 122.365 122.820 -0.046 0.000 1.892 445 A HA -0.291 3.037 4.320 -1.653 0.000 0.218 445 A C 2.411 180.051 177.584 0.094 0.000 1.188 445 A CA 2.297 54.374 52.037 0.066 0.000 0.631 445 A CB -0.669 18.457 19.000 0.210 0.000 0.822 445 A HN 0.569 nan 8.150 nan 0.000 0.447 446 R N -1.581 118.934 120.500 0.026 0.000 2.073 446 R HA -0.084 3.264 4.340 -1.653 0.000 0.234 446 R C 2.390 178.767 176.300 0.128 0.000 1.134 446 R CA 1.607 57.779 56.100 0.120 0.000 0.952 446 R CB -0.410 29.951 30.300 0.101 0.000 0.850 446 R HN 0.653 nan 8.270 nan 0.000 0.433 447 M N 0.963 120.460 119.600 -0.172 0.000 2.108 447 M HA -0.222 3.266 4.480 -1.653 0.000 0.261 447 M C 1.776 177.981 176.300 -0.160 0.000 1.066 447 M CA 1.785 56.820 55.300 -0.441 0.000 1.107 447 M CB 0.030 32.177 32.600 -0.754 0.000 1.356 447 M HN 0.147 nan 8.290 nan 0.000 0.406 448 E N 0.017 120.121 120.200 -0.160 0.000 2.051 448 E HA -0.200 3.158 4.350 -1.653 0.000 0.192 448 E C 2.014 178.551 176.600 -0.106 0.000 0.991 448 E CA 1.463 57.709 56.400 -0.257 0.000 0.799 448 E CB -0.217 29.481 29.700 -0.002 0.000 0.748 448 E HN 0.536 nan 8.360 nan 0.000 0.449 449 L N 0.127 121.410 121.223 0.100 0.000 2.017 449 L HA -0.189 3.159 4.340 -1.653 0.000 0.208 449 L C 2.475 179.529 176.870 0.307 0.000 1.073 449 L CA 1.094 56.047 54.840 0.188 0.000 0.745 449 L CB -0.439 41.802 42.059 0.303 0.000 0.894 449 L HN 0.151 nan 8.230 nan 0.000 0.432 450 F N 0.644 120.715 119.950 0.202 0.000 2.075 450 F HA -0.244 3.288 4.527 -1.658 0.000 0.297 450 F C 2.249 178.148 175.800 0.164 0.000 1.113 450 F CA 1.653 59.785 58.000 0.219 0.000 1.218 450 F CB -0.086 39.080 39.000 0.277 0.000 0.984 450 F HN -0.136 nan 8.300 nan 0.000 0.472 451 L N -1.209 120.005 121.223 -0.016 0.000 2.109 451 L HA -0.179 3.169 4.340 -1.653 0.000 0.207 451 L C 2.371 179.165 176.870 -0.127 0.000 1.086 451 L CA 0.727 55.468 54.840 -0.165 0.000 0.760 451 L CB -0.740 41.206 42.059 -0.187 0.000 0.910 451 L HN 0.108 nan 8.230 nan 0.000 0.437 452 F N -0.340 119.617 119.950 0.012 0.000 2.060 452 F HA -0.142 3.391 4.527 -1.656 0.000 0.295 452 F C 2.345 178.196 175.800 0.085 0.000 1.120 452 F CA 1.030 59.037 58.000 0.012 0.000 1.205 452 F CB -1.251 37.710 39.000 -0.064 0.000 0.986 452 F HN -0.124 nan 8.300 nan 0.000 0.470 453 F N 0.410 120.494 119.950 0.224 0.000 2.063 453 F HA -0.317 3.221 4.527 -1.649 0.000 0.298 453 F C 2.512 178.376 175.800 0.106 0.000 1.109 453 F CA 1.864 59.941 58.000 0.128 0.000 1.212 453 F CB -0.969 38.013 39.000 -0.030 0.000 0.973 453 F HN -0.081 nan 8.300 nan 0.000 0.480 454 T N -1.417 113.195 114.554 0.098 0.000 2.857 454 T HA -0.136 3.222 4.350 -1.653 0.000 0.266 454 T C 1.823 176.559 174.700 0.061 0.000 1.048 454 T CA 1.774 63.844 62.100 -0.050 0.000 1.139 454 T CB -0.456 68.134 68.868 -0.464 0.000 0.874 454 T HN 0.262 nan 8.240 nan 0.000 0.455 455 T N 1.849 116.459 114.554 0.092 0.000 2.857 455 T HA -0.023 3.335 4.350 -1.653 0.000 0.266 455 T C 2.214 177.026 174.700 0.186 0.000 1.048 455 T CA 0.653 62.826 62.100 0.121 0.000 1.139 455 T CB -0.448 68.497 68.868 0.130 0.000 0.874 455 T HN 0.160 nan 8.240 nan 0.000 0.455 456 V N 1.806 121.900 119.914 0.300 0.000 2.261 456 V HA -0.153 2.975 4.120 -1.653 0.000 0.246 456 V C 2.632 178.986 176.094 0.432 0.000 1.047 456 V CA 1.347 63.883 62.300 0.393 0.000 1.015 456 V CB -0.580 31.512 31.823 0.449 0.000 0.642 456 V HN 0.387 nan 8.190 nan 0.000 0.446 457 M N -0.255 119.601 119.600 0.426 0.000 2.159 457 M HA -0.215 3.273 4.480 -1.653 0.000 0.263 457 M C 2.235 178.741 176.300 0.344 0.000 1.063 457 M CA 1.675 57.204 55.300 0.381 0.000 1.110 457 M CB -1.337 31.422 32.600 0.265 0.000 1.374 457 M HN 0.534 nan 8.290 nan 0.000 0.411 458 Q N 0.291 120.219 119.800 0.214 0.000 2.084 458 Q HA -0.175 3.173 4.340 -1.653 0.000 0.202 458 Q C 1.595 177.609 176.000 0.024 0.000 0.978 458 Q CA 1.418 57.296 55.803 0.126 0.000 0.844 458 Q CB 0.045 28.825 28.738 0.069 0.000 0.898 458 Q HN 0.543 nan 8.270 nan 0.000 0.426 459 N N -1.199 117.464 118.700 -0.063 0.000 2.395 459 N HA 0.052 3.800 4.740 -1.653 0.000 0.175 459 N C -0.554 174.583 175.510 -0.622 0.000 1.029 459 N CA 0.518 53.322 53.050 -0.410 0.000 0.897 459 N CB 0.475 38.594 38.487 -0.615 0.000 0.991 459 N HN 0.047 nan 8.380 nan 0.000 0.441 460 F N 0.446 120.500 119.950 0.172 0.000 2.599 460 F HA 0.415 3.949 4.527 -1.655 0.000 0.311 460 F C 0.106 176.055 175.800 0.248 0.000 1.076 460 F CA -1.243 56.874 58.000 0.195 0.000 0.937 460 F CB 1.329 40.505 39.000 0.293 0.000 1.282 460 F HN -0.264 nan 8.300 nan 0.000 0.460 461 R N 1.643 122.360 120.500 0.362 0.000 2.540 461 R HA 0.843 4.191 4.340 -1.653 0.000 0.287 461 R C -1.533 174.863 176.300 0.161 0.000 0.980 461 R CA -0.850 55.427 56.100 0.296 0.000 0.966 461 R CB 1.088 31.497 30.300 0.181 0.000 1.106 461 R HN 0.604 nan 8.270 nan 0.000 0.480 462 L N 1.378 122.644 121.223 0.070 0.000 2.325 462 L HA 0.538 3.886 4.340 -1.653 0.000 0.279 462 L C -0.171 176.633 176.870 -0.111 0.000 1.054 462 L CA -0.982 53.768 54.840 -0.149 0.000 0.804 462 L CB 1.111 43.076 42.059 -0.157 0.000 1.200 462 L HN 0.546 nan 8.230 nan 0.000 0.436 463 K N 1.379 121.672 120.400 -0.178 0.000 2.426 463 K HA 0.394 3.722 4.320 -1.653 0.000 0.254 463 K C -0.620 175.908 176.600 -0.120 0.000 0.936 463 K CA -0.344 55.877 56.287 -0.111 0.000 0.801 463 K CB 1.642 34.097 32.500 -0.075 0.000 1.139 463 K HN 0.677 nan 8.250 nan 0.000 0.424 464 S N 1.347 116.995 115.700 -0.087 0.000 2.592 464 S HA 0.097 3.575 4.470 -1.653 0.000 0.271 464 S C 0.708 175.282 174.600 -0.044 0.000 1.326 464 S CA -0.317 57.844 58.200 -0.066 0.000 1.024 464 S CB 1.327 64.483 63.200 -0.073 0.000 0.921 464 S HN 0.607 nan 8.310 nan 0.000 0.527 465 S N 0.033 115.719 115.700 -0.023 0.000 2.660 465 S HA 0.085 3.563 4.470 -1.653 0.000 0.228 465 S C 0.302 174.892 174.600 -0.017 0.000 0.966 465 S CA -0.089 58.101 58.200 -0.016 0.000 0.940 465 S CB -0.529 62.670 63.200 -0.002 0.000 0.773 465 S HN 0.828 nan 8.310 nan 0.000 0.535 466 Q N 0.131 119.915 119.800 -0.026 0.000 2.553 466 Q HA 0.540 3.888 4.340 -1.653 0.000 0.293 466 Q C -1.416 174.560 176.000 -0.039 0.000 1.038 466 Q CA -0.642 55.144 55.803 -0.029 0.000 0.777 466 Q CB 2.041 30.762 28.738 -0.029 0.000 1.487 466 Q HN 0.183 nan 8.270 nan 0.000 0.426 467 S N 1.276 116.953 115.700 -0.038 0.000 2.475 467 S HA 0.318 3.796 4.470 -1.653 0.000 0.281 467 S C -1.951 172.615 174.600 -0.057 0.000 1.198 467 S CA -1.631 56.544 58.200 -0.041 0.000 1.063 467 S CB 0.838 64.019 63.200 -0.032 0.000 0.972 467 S HN 0.476 nan 8.310 nan 0.000 0.486 468 P HA -0.252 nan 4.420 nan 0.000 0.219 468 P C 1.149 178.386 177.300 -0.104 0.000 1.153 468 P CA 1.673 64.715 63.100 -0.097 0.000 0.865 468 P CB -0.019 31.627 31.700 -0.091 0.000 0.788 469 K N -0.854 119.502 120.400 -0.074 0.000 2.063 469 K HA -0.162 3.166 4.320 -1.653 0.000 0.208 469 K C 1.088 177.655 176.600 -0.055 0.000 1.048 469 K CA 1.928 58.178 56.287 -0.061 0.000 0.928 469 K CB -0.731 31.745 32.500 -0.040 0.000 0.713 469 K HN 0.106 nan 8.250 nan 0.000 0.442 470 D N 0.819 121.189 120.400 -0.050 0.000 2.349 470 D HA 0.143 3.791 4.640 -1.653 0.000 0.214 470 D C 0.323 176.595 176.300 -0.047 0.000 1.063 470 D CA 0.062 54.038 54.000 -0.039 0.000 0.847 470 D CB 0.139 40.922 40.800 -0.029 0.000 0.933 470 D HN 0.271 nan 8.370 nan 0.000 0.513 471 I N 1.769 122.297 120.570 -0.071 0.000 2.517 471 I HA -0.037 3.141 4.170 -1.653 0.000 0.285 471 I C 0.577 176.654 176.117 -0.066 0.000 1.106 471 I CA 0.003 61.252 61.300 -0.086 0.000 1.402 471 I CB 0.435 38.355 38.000 -0.133 0.000 1.399 471 I HN -0.319 nan 8.210 nan 0.000 0.535 472 D N 6.809 127.182 120.400 -0.044 0.000 2.380 472 D HA 0.125 3.773 4.640 -1.653 0.000 0.230 472 D C 0.762 177.063 176.300 0.003 0.000 1.154 472 D CA -0.302 53.692 54.000 -0.010 0.000 0.859 472 D CB 1.421 42.219 40.800 -0.003 0.000 1.045 472 D HN 0.375 nan 8.370 nan 0.000 0.495 473 V N 1.953 121.898 119.914 0.052 0.000 3.633 473 V HA 0.144 3.272 4.120 -1.653 0.000 0.283 473 V C 0.803 177.087 176.094 0.318 0.000 1.305 473 V CA -0.022 62.379 62.300 0.169 0.000 1.153 473 V CB -0.929 30.955 31.823 0.102 0.000 0.950 473 V HN 0.419 nan 8.190 nan 0.000 0.432 474 S N 1.068 116.881 115.700 0.189 0.000 2.585 474 S HA 0.494 3.972 4.470 -1.653 0.000 0.273 474 S C -2.438 172.226 174.600 0.106 0.000 1.339 474 S CA -0.942 57.355 58.200 0.163 0.000 1.028 474 S CB 0.528 63.782 63.200 0.091 0.000 0.906 474 S HN 0.373 nan 8.310 nan 0.000 0.528 475 P HA 0.188 nan 4.420 nan 0.000 0.268 475 P C 0.528 177.788 177.300 -0.068 0.000 1.205 475 P CA -0.512 62.594 63.100 0.009 0.000 0.771 475 P CB 0.552 32.266 31.700 0.024 0.000 0.858 476 K N 2.356 122.664 120.400 -0.154 0.000 2.002 476 K HA -0.113 3.215 4.320 -1.653 0.000 0.209 476 K C 0.168 176.508 176.600 -0.433 0.000 1.048 476 K CA 1.362 57.468 56.287 -0.301 0.000 0.930 476 K CB 0.063 32.349 32.500 -0.357 0.000 0.714 476 K HN 0.587 nan 8.250 nan 0.000 0.438 477 H N -1.250 117.802 119.070 -0.030 0.000 2.895 477 H HA 0.389 3.952 4.556 -1.654 0.000 0.373 477 H C -1.320 173.981 175.328 -0.045 0.000 1.174 477 H CA -0.847 55.181 56.048 -0.034 0.000 1.144 477 H CB 2.127 31.863 29.762 -0.043 0.000 1.793 477 H HN -0.160 nan 8.280 nan 0.000 0.551 478 V N 1.188 121.160 119.914 0.096 0.000 2.569 478 V HA 0.658 3.785 4.120 -1.653 0.000 0.301 478 V C 0.364 176.463 176.094 0.008 0.000 1.044 478 V CA -0.150 62.159 62.300 0.015 0.000 0.874 478 V CB 1.488 33.306 31.823 -0.008 0.000 1.002 478 V HN 1.051 nan 8.190 nan 0.000 0.424 479 G N 2.216 110.999 108.800 -0.028 0.000 3.554 479 G HA2 0.162 3.130 3.960 -1.653 0.000 0.168 479 G HA3 0.162 3.130 3.960 -1.653 0.000 0.168 479 G C 0.309 175.208 174.900 -0.002 0.000 1.271 479 G CA 0.417 45.513 45.100 -0.007 0.000 1.339 479 G HN 0.465 nan 8.290 nan 0.000 0.731 480 F N 2.591 122.463 119.950 -0.130 0.000 2.186 480 F HA 0.575 4.114 4.527 -1.645 0.000 0.299 480 F C 1.033 176.728 175.800 -0.175 0.000 1.090 480 F CA 1.241 59.167 58.000 -0.124 0.000 1.307 480 F CB -0.083 38.877 39.000 -0.067 0.000 1.019 480 F HN 0.442 nan 8.300 nan 0.000 0.489 481 A N -0.601 121.954 122.820 -0.442 0.000 2.387 481 A HA 0.644 3.972 4.320 -1.653 0.000 0.303 481 A C -0.626 176.817 177.584 -0.235 0.000 1.145 481 A CA -0.400 51.329 52.037 -0.514 0.000 0.801 481 A CB 0.680 19.161 19.000 -0.866 0.000 1.342 481 A HN 0.069 nan 8.150 nan 0.000 0.440 482 T N 2.269 116.743 114.554 -0.134 0.000 2.770 482 T HA 0.468 3.826 4.350 -1.653 0.000 0.297 482 T C -0.419 174.313 174.700 0.053 0.000 0.997 482 T CA -0.059 62.027 62.100 -0.023 0.000 0.949 482 T CB -0.055 68.811 68.868 -0.004 0.000 0.941 482 T HN 0.363 nan 8.240 nan 0.000 0.457 483 I N 6.964 127.547 120.570 0.022 0.000 2.336 483 I HA 0.373 3.551 4.170 -1.653 0.000 0.292 483 I C -2.026 173.999 176.117 -0.153 0.000 0.991 483 I CA -3.423 57.877 61.300 -0.001 0.000 1.227 483 I CB 1.131 39.176 38.000 0.075 0.000 1.366 483 I HN 0.303 nan 8.210 nan 0.000 0.466 484 P HA 0.287 nan 4.420 nan 0.000 0.276 484 P C -0.477 176.687 177.300 -0.227 0.000 1.252 484 P CA -0.722 62.060 63.100 -0.531 0.000 0.802 484 P CB 0.874 31.991 31.700 -0.971 0.000 1.035 485 R N 1.128 121.530 120.500 -0.163 0.000 2.590 485 R HA 0.147 3.495 4.340 -1.653 0.000 0.274 485 R C 0.351 176.677 176.300 0.043 0.000 1.061 485 R CA -0.214 55.846 56.100 -0.066 0.000 1.081 485 R CB -0.404 29.870 30.300 -0.043 0.000 0.984 485 R HN 0.478 nan 8.270 nan 0.000 0.448 486 N N 2.052 120.757 118.700 0.009 0.000 2.407 486 N HA 0.024 3.772 4.740 -1.653 0.000 0.250 486 N C -0.848 174.730 175.510 0.112 0.000 1.236 486 N CA 0.581 53.635 53.050 0.007 0.000 0.879 486 N CB 0.150 38.623 38.487 -0.024 0.000 1.088 486 N HN 0.491 nan 8.380 nan 0.000 0.450 487 Y N -2.981 117.297 120.300 -0.038 0.000 2.641 487 Y HA 0.627 4.186 4.550 -1.651 0.000 0.333 487 Y C -0.926 174.959 175.900 -0.024 0.000 1.174 487 Y CA -1.317 56.763 58.100 -0.034 0.000 1.057 487 Y CB 0.566 39.002 38.460 -0.041 0.000 1.322 487 Y HN 0.552 nan 8.280 nan 0.000 0.457 488 T N 1.169 115.773 114.554 0.082 0.000 2.926 488 T HA 0.870 4.228 4.350 -1.653 0.000 0.289 488 T C -0.443 174.321 174.700 0.106 0.000 1.054 488 T CA -0.619 61.479 62.100 -0.003 0.000 1.015 488 T CB 2.087 70.949 68.868 -0.010 0.000 1.167 488 T HN 1.305 nan 8.240 nan 0.000 0.526 489 M N -0.678 118.917 119.600 -0.007 0.000 2.949 489 M HA 0.687 4.175 4.480 -1.653 0.000 0.270 489 M C -1.673 174.512 176.300 -0.192 0.000 1.221 489 M CA -1.000 54.249 55.300 -0.085 0.000 0.818 489 M CB 1.824 34.364 32.600 -0.100 0.000 1.635 489 M HN 0.752 nan 8.290 nan 0.000 0.492 490 S N -0.018 115.514 115.700 -0.281 0.000 2.570 490 S HA 0.841 4.319 4.470 -1.653 0.000 0.286 490 S C -1.397 172.937 174.600 -0.443 0.000 1.099 490 S CA -0.690 57.348 58.200 -0.269 0.000 0.913 490 S CB 1.389 64.514 63.200 -0.125 0.000 1.085 490 S HN 0.533 nan 8.310 nan 0.000 0.480 491 F N 1.532 121.288 119.950 -0.325 0.000 2.332 491 F HA 0.473 4.007 4.527 -1.655 0.000 0.368 491 F C -0.204 175.475 175.800 -0.201 0.000 1.110 491 F CA -0.795 56.947 58.000 -0.431 0.000 1.087 491 F CB 0.815 39.167 39.000 -1.078 0.000 1.235 491 F HN 0.323 nan 8.300 nan 0.000 0.470 492 L N 5.674 127.003 121.223 0.178 0.000 2.275 492 L HA 0.465 3.813 4.340 -1.653 0.000 0.288 492 L C -2.290 174.814 176.870 0.389 0.000 1.046 492 L CA -2.148 52.826 54.840 0.224 0.000 0.805 492 L CB 0.973 43.097 42.059 0.109 0.000 1.193 492 L HN 0.289 nan 8.230 nan 0.000 0.426 493 P HA 0.145 nan 4.420 nan 0.000 0.267 493 P C -0.517 176.822 177.300 0.065 0.000 1.200 493 P CA -0.077 63.132 63.100 0.182 0.000 0.772 493 P CB 0.618 32.384 31.700 0.109 0.000 0.855 494 R N 0.000 120.480 120.500 -0.033 0.000 2.786 494 R HA 0.000 3.348 4.340 -1.653 0.000 0.208 494 R CA 0.000 56.062 56.100 -0.063 0.000 0.921 494 R CB 0.000 30.230 30.300 -0.116 0.000 0.687 494 R HN 0.000 nan 8.270 nan 0.000 0.535