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 2qt6_1_B DATA FIRST_RESID 1 DATA SEQUENCE AVGPVADLTV TNANIVPDGF ERAAIVVNNV FPAPLITGNM GDNFQLNLVN DATA SEQUENCE QMTNHTMLKT TSIHWHGFFQ KGTNWADGPA FINQcPIASG NSFLYDFQVP DATA SEQUENCE GQAGTFWYHS HLSTQYcDGL RGPFVVYDPN DPHANLYDVD DESTVITLAD DATA SEQUENCE WYHVAAKLGP RFPKGADSTL INGLGRSTST PTADLAVISV TKGKRYRFRL DATA SEQUENCE VSLScDPNYT FSIDSHQLTV IEADGVSTQP VTVDSIQIFA AQRYSFVLNA DATA SEQUENCE NQDVDNYWIR ANPNFGTTGF ADGVNSAILR YDDADPVEPV TNQTGTTLLL DATA SEQUENCE ETDLHPLTSM PVPGNPTQGG ADLNLNMAFN FDGTNFFING ESFTPPTVPV DATA SEQUENCE LLQIISGANT AQDLLPSGSV YSLPSNSSIE ITFPATTAAP GAPHPFHLHG DATA SEQUENCE HVFAVVRSAG STSYNYDDPV WRDVVSTGTP QAGDNVTIRF QTDNPGPWFL DATA SEQUENCE HCHIDFHLDA GFAVVMAEDI PNTVNANPVP QAWSNLcPTY DALEPSNE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.589 177.584 0.008 0.000 1.274 1 A CA 0.000 52.055 52.037 0.030 0.000 0.836 1 A CB 0.000 19.030 19.000 0.050 0.000 0.831 2 V N -0.608 119.298 119.914 -0.012 0.000 3.046 2 V HA 1.041 5.161 4.120 -0.000 0.000 0.316 2 V C 0.516 176.566 176.094 -0.074 0.000 1.104 2 V CA 0.057 62.337 62.300 -0.034 0.000 1.006 2 V CB 0.981 32.791 31.823 -0.021 0.000 1.058 2 V HN 3.015 nan 8.190 nan 0.000 0.440 3 G N 2.262 111.013 108.800 -0.082 0.000 2.612 3 G HA2 0.023 3.983 3.960 -0.000 0.000 0.686 3 G HA3 0.023 3.983 3.960 -0.000 0.000 0.686 3 G C -1.952 172.859 174.900 -0.148 0.000 1.274 3 G CA -0.123 44.912 45.100 -0.108 0.000 0.849 3 G HN 0.869 nan 8.290 nan 0.000 0.595 4 P HA 0.164 nan 4.420 nan 0.000 0.233 4 P C 0.529 177.627 177.300 -0.337 0.000 1.167 4 P CA 0.726 63.508 63.100 -0.530 0.000 0.770 4 P CB 0.283 31.291 31.700 -1.152 0.000 0.837 5 V N 0.658 120.430 119.914 -0.236 0.000 2.384 5 V HA 0.713 4.833 4.120 -0.000 0.000 0.287 5 V C 0.110 176.142 176.094 -0.104 0.000 1.020 5 V CA -0.530 61.669 62.300 -0.168 0.000 0.850 5 V CB 0.913 32.644 31.823 -0.153 0.000 0.987 5 V HN 0.238 nan 8.190 nan 0.000 0.436 6 A N 3.767 126.544 122.820 -0.073 0.000 2.599 6 A HA 0.675 4.995 4.320 -0.000 0.000 0.294 6 A C -1.679 175.911 177.584 0.009 0.000 1.055 6 A CA -0.746 51.272 52.037 -0.033 0.000 0.683 6 A CB 1.447 20.423 19.000 -0.040 0.000 1.278 6 A HN 0.602 nan 8.150 nan 0.000 0.412 7 D N 1.051 121.472 120.400 0.034 0.000 2.264 7 D HA 0.540 5.180 4.640 -0.000 0.000 0.250 7 D C -0.619 175.741 176.300 0.101 0.000 1.113 7 D CA 0.391 54.436 54.000 0.075 0.000 0.871 7 D CB 1.218 42.059 40.800 0.070 0.000 1.167 7 D HN 0.397 nan 8.370 nan 0.000 0.447 8 L N 2.322 123.638 121.223 0.154 0.000 2.318 8 L HA 0.304 4.643 4.340 -0.000 0.000 0.277 8 L C 0.048 177.039 176.870 0.201 0.000 1.008 8 L CA -0.535 54.420 54.840 0.192 0.000 0.846 8 L CB 1.372 43.587 42.059 0.259 0.000 1.220 8 L HN 0.116 nan 8.230 nan 0.000 0.423 9 T N 2.631 117.286 114.554 0.169 0.000 2.744 9 T HA 0.420 4.769 4.350 -0.000 0.000 0.291 9 T C 0.073 174.873 174.700 0.167 0.000 0.957 9 T CA -0.355 61.840 62.100 0.157 0.000 1.002 9 T CB 1.654 70.596 68.868 0.123 0.000 0.919 9 T HN 0.140 nan 8.240 nan 0.000 0.468 10 V N 4.957 124.975 119.914 0.174 0.000 2.370 10 V HA 0.670 4.790 4.120 -0.000 0.000 0.283 10 V C 0.590 176.774 176.094 0.150 0.000 1.023 10 V CA -0.711 61.694 62.300 0.176 0.000 0.857 10 V CB 1.165 33.104 31.823 0.193 0.000 0.985 10 V HN 1.117 nan 8.190 nan 0.000 0.443 11 T N 1.346 115.986 114.554 0.143 0.000 2.838 11 T HA 0.553 4.903 4.350 -0.000 0.000 0.292 11 T C -0.632 174.142 174.700 0.124 0.000 1.113 11 T CA -1.046 61.128 62.100 0.123 0.000 1.008 11 T CB 1.635 70.568 68.868 0.108 0.000 1.259 11 T HN 0.472 nan 8.240 nan 0.000 0.520 12 N N -0.240 118.523 118.700 0.106 0.000 2.473 12 N HA 0.712 5.452 4.740 -0.000 0.000 0.291 12 N C -0.850 174.715 175.510 0.091 0.000 1.083 12 N CA -0.631 52.478 53.050 0.100 0.000 0.951 12 N CB 1.619 40.156 38.487 0.083 0.000 1.164 12 N HN 1.036 nan 8.380 nan 0.000 0.480 13 A N 1.435 124.311 122.820 0.094 0.000 2.612 13 A HA 0.506 4.826 4.320 -0.000 0.000 0.293 13 A C -1.552 176.077 177.584 0.075 0.000 1.075 13 A CA -0.953 51.132 52.037 0.080 0.000 0.680 13 A CB 1.057 20.108 19.000 0.085 0.000 1.279 13 A HN 0.603 nan 8.150 nan 0.000 0.411 14 N N 1.263 119.993 118.700 0.050 0.000 2.434 14 N HA 0.597 5.337 4.740 -0.000 0.000 0.272 14 N C -0.441 175.089 175.510 0.032 0.000 1.040 14 N CA 0.058 53.128 53.050 0.033 0.000 0.956 14 N CB 1.125 39.612 38.487 0.000 0.000 1.108 14 N HN 0.754 nan 8.380 nan 0.000 0.481 15 I N -2.087 118.511 120.570 0.047 0.000 3.042 15 I HA 0.647 4.817 4.170 -0.000 0.000 0.310 15 I C -0.014 176.112 176.117 0.014 0.000 1.117 15 I CA -1.228 60.091 61.300 0.031 0.000 1.003 15 I CB 2.271 40.292 38.000 0.034 0.000 1.228 15 I HN 0.124 nan 8.210 nan 0.000 0.443 16 V N -0.133 119.771 119.914 -0.015 0.000 2.575 16 V HA 0.429 4.549 4.120 -0.000 0.000 0.281 16 V C -2.071 174.006 176.094 -0.028 0.000 1.087 16 V CA -0.690 61.605 62.300 -0.008 0.000 1.193 16 V CB -0.161 31.649 31.823 -0.022 0.000 1.426 16 V HN 0.773 nan 8.190 nan 0.000 0.623 17 P HA -0.062 nan 4.420 nan 0.000 0.222 17 P C 0.477 177.733 177.300 -0.073 0.000 1.147 17 P CA 1.627 64.630 63.100 -0.162 0.000 0.790 17 P CB 0.234 31.678 31.700 -0.426 0.000 0.780 18 D N -2.313 118.092 120.400 0.009 0.000 2.462 18 D HA 0.235 4.875 4.640 -0.000 0.000 0.221 18 D C 1.289 177.674 176.300 0.142 0.000 1.173 18 D CA -0.082 53.982 54.000 0.107 0.000 0.831 18 D CB -0.380 40.551 40.800 0.219 0.000 1.001 18 D HN 0.213 nan 8.370 nan 0.000 0.499 19 G N 0.032 108.895 108.800 0.104 0.000 2.199 19 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.254 19 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.254 19 G C -0.197 174.781 174.900 0.129 0.000 0.982 19 G CA 0.105 45.263 45.100 0.097 0.000 0.632 19 G HN 0.430 nan 8.290 nan 0.000 0.529 20 F N 1.923 121.862 119.950 -0.019 0.000 2.458 20 F HA 0.697 5.224 4.527 -0.000 0.000 0.336 20 F C 0.084 175.852 175.800 -0.055 0.000 1.114 20 F CA -1.355 56.578 58.000 -0.110 0.000 0.987 20 F CB 1.502 40.264 39.000 -0.397 0.000 1.130 20 F HN 0.127 nan 8.300 nan 0.000 0.458 21 E N 6.659 126.354 120.200 -0.842 0.000 2.229 21 E HA 0.421 4.771 4.350 -0.000 0.000 0.283 21 E C -0.964 175.275 176.600 -0.602 0.000 1.030 21 E CA -0.592 55.496 56.400 -0.520 0.000 0.836 21 E CB 0.721 30.209 29.700 -0.353 0.000 1.068 21 E HN 0.817 nan 8.360 nan 0.000 0.401 22 R N 1.953 122.363 120.500 -0.150 0.000 2.774 22 R HA 0.684 5.024 4.340 -0.000 0.000 0.272 22 R C -1.328 175.007 176.300 0.060 0.000 1.000 22 R CA -0.976 55.112 56.100 -0.019 0.000 0.906 22 R CB 1.023 31.422 30.300 0.165 0.000 1.227 22 R HN 0.363 nan 8.270 nan 0.000 0.468 23 A N 1.083 123.930 122.820 0.044 0.000 2.440 23 A HA 0.631 4.951 4.320 -0.000 0.000 0.251 23 A C -0.182 177.457 177.584 0.092 0.000 1.089 23 A CA 0.392 52.462 52.037 0.057 0.000 0.779 23 A CB 0.183 19.200 19.000 0.029 0.000 1.022 23 A HN 0.991 nan 8.150 nan 0.000 0.492 24 A N 1.873 124.765 122.820 0.120 0.000 2.533 24 A HA 0.773 5.093 4.320 -0.000 0.000 0.293 24 A C -0.841 176.834 177.584 0.151 0.000 1.228 24 A CA -0.606 51.527 52.037 0.161 0.000 0.689 24 A CB 0.618 19.786 19.000 0.281 0.000 1.303 24 A HN 0.747 nan 8.150 nan 0.000 0.444 25 I N 0.956 121.637 120.570 0.186 0.000 2.377 25 I HA 0.530 4.700 4.170 -0.000 0.000 0.293 25 I C -0.353 175.912 176.117 0.248 0.000 0.987 25 I CA -0.835 60.582 61.300 0.194 0.000 1.185 25 I CB 1.750 39.865 38.000 0.192 0.000 1.341 25 I HN 0.574 nan 8.210 nan 0.000 0.455 26 V N 4.217 124.261 119.914 0.217 0.000 3.001 26 V HA 0.707 4.827 4.120 -0.000 0.000 0.314 26 V C -0.631 175.585 176.094 0.204 0.000 1.099 26 V CA -0.710 61.728 62.300 0.231 0.000 0.989 26 V CB 2.029 33.970 31.823 0.196 0.000 1.040 26 V HN 0.381 nan 8.190 nan 0.000 0.434 27 V N 2.940 122.976 119.914 0.203 0.000 2.487 27 V HA 0.520 4.640 4.120 -0.000 0.000 0.298 27 V C 0.124 176.320 176.094 0.171 0.000 1.028 27 V CA -0.595 61.827 62.300 0.203 0.000 0.860 27 V CB 1.033 33.008 31.823 0.255 0.000 0.991 27 V HN 1.040 nan 8.190 nan 0.000 0.427 28 N N 4.577 123.368 118.700 0.151 0.000 2.716 28 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 28 N C 0.578 176.151 175.510 0.105 0.000 1.033 28 N CA 1.155 54.276 53.050 0.119 0.000 0.727 28 N CB -1.131 37.423 38.487 0.111 0.000 0.950 28 N HN 0.900 nan 8.380 nan 0.000 0.541 29 N N -4.121 114.646 118.700 0.112 0.000 2.800 29 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 29 N C -0.164 175.408 175.510 0.104 0.000 1.078 29 N CA 1.370 54.480 53.050 0.101 0.000 0.804 29 N CB -1.709 36.825 38.487 0.078 0.000 1.135 29 N HN 0.558 nan 8.380 nan 0.000 0.565 30 V N -3.244 116.741 119.914 0.119 0.000 3.040 30 V HA 0.902 5.022 4.120 -0.000 0.000 0.312 30 V C -0.573 175.617 176.094 0.161 0.000 1.115 30 V CA -1.146 61.221 62.300 0.111 0.000 0.998 30 V CB 2.589 34.450 31.823 0.063 0.000 1.042 30 V HN 0.061 nan 8.190 nan 0.000 0.433 31 F N 3.144 123.096 119.950 0.002 0.000 2.547 31 F HA 0.907 5.433 4.527 -0.000 0.000 0.316 31 F C -2.564 173.193 175.800 -0.072 0.000 1.121 31 F CA -1.956 56.029 58.000 -0.026 0.000 0.911 31 F CB 2.193 41.143 39.000 -0.083 0.000 1.179 31 F HN 0.510 nan 8.300 nan 0.000 0.443 32 P HA 0.268 nan 4.420 nan 0.000 0.271 32 P C -0.974 176.107 177.300 -0.366 0.000 1.238 32 P CA -0.341 62.038 63.100 -1.200 0.000 0.794 32 P CB 0.397 31.608 31.700 -0.816 0.000 0.959 33 A N 1.985 124.681 122.820 -0.206 0.000 2.507 33 A HA 0.279 4.598 4.320 -0.000 0.000 0.235 33 A C -1.953 175.670 177.584 0.065 0.000 1.070 33 A CA -0.707 51.328 52.037 -0.004 0.000 0.768 33 A CB -1.434 17.540 19.000 -0.043 0.000 1.011 33 A HN 0.420 nan 8.150 nan 0.000 0.502 34 P HA 0.136 nan 4.420 nan 0.000 0.269 34 P C -0.285 177.143 177.300 0.214 0.000 1.209 34 P CA -0.302 62.886 63.100 0.148 0.000 0.776 34 P CB 0.329 32.110 31.700 0.134 0.000 0.876 35 L N 3.830 125.131 121.223 0.130 0.000 2.534 35 L HA 0.110 4.450 4.340 -0.000 0.000 0.271 35 L C -0.193 176.706 176.870 0.049 0.000 1.178 35 L CA 0.441 55.359 54.840 0.129 0.000 0.907 35 L CB -0.775 41.337 42.059 0.088 0.000 1.164 35 L HN 0.199 nan 8.230 nan 0.000 0.482 36 I N 4.931 125.464 120.570 -0.062 0.000 2.385 36 I HA 0.430 4.600 4.170 -0.000 0.000 0.294 36 I C 0.306 176.201 176.117 -0.370 0.000 0.988 36 I CA -0.342 60.726 61.300 -0.386 0.000 1.265 36 I CB 1.506 38.923 38.000 -0.972 0.000 1.388 36 I HN 0.772 nan 8.210 nan 0.000 0.480 37 T N 1.684 116.145 114.554 -0.156 0.000 2.906 37 T HA 0.912 5.262 4.350 -0.000 0.000 0.295 37 T C -0.376 174.446 174.700 0.202 0.000 1.075 37 T CA -0.746 61.396 62.100 0.069 0.000 1.005 37 T CB 2.344 71.353 68.868 0.235 0.000 1.136 37 T HN 0.889 nan 8.240 nan 0.000 0.498 38 G N 0.702 109.702 108.800 0.333 0.000 2.561 38 G HA2 0.575 4.535 3.960 -0.000 0.000 0.310 38 G HA3 0.575 4.535 3.960 -0.000 0.000 0.310 38 G C -1.944 173.106 174.900 0.250 0.000 1.292 38 G CA -1.108 44.101 45.100 0.182 0.000 0.811 38 G HN 0.903 nan 8.290 nan 0.000 0.482 39 N N -0.463 118.302 118.700 0.108 0.000 2.402 39 N HA 0.502 5.242 4.740 -0.000 0.000 0.294 39 N C 0.174 175.747 175.510 0.106 0.000 1.203 39 N CA -0.837 52.296 53.050 0.140 0.000 0.838 39 N CB 2.124 40.656 38.487 0.074 0.000 1.306 39 N HN 0.600 nan 8.380 nan 0.000 0.510 40 M N 1.321 120.992 119.600 0.118 0.000 2.255 40 M HA -0.069 4.410 4.480 -0.000 0.000 0.356 40 M C 0.915 177.238 176.300 0.038 0.000 1.338 40 M CA 1.530 56.883 55.300 0.090 0.000 0.962 40 M CB -0.422 32.228 32.600 0.084 0.000 1.877 40 M HN 0.966 nan 8.290 nan 0.000 0.463 41 G N 3.233 112.049 108.800 0.026 0.000 2.225 41 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.254 41 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.254 41 G C -0.187 174.676 174.900 -0.062 0.000 0.988 41 G CA 0.238 45.333 45.100 -0.009 0.000 0.625 41 G HN 0.723 nan 8.290 nan 0.000 0.527 42 D N 0.416 120.751 120.400 -0.107 0.000 2.378 42 D HA 0.324 4.964 4.640 -0.000 0.000 0.238 42 D C 0.584 176.683 176.300 -0.335 0.000 1.180 42 D CA 0.067 53.898 54.000 -0.282 0.000 0.895 42 D CB 0.388 40.878 40.800 -0.516 0.000 1.192 42 D HN 0.286 nan 8.370 nan 0.000 0.438 43 N N 1.169 119.630 118.700 -0.399 0.000 2.420 43 N HA 0.114 4.854 4.740 -0.000 0.000 0.249 43 N C -1.421 173.707 175.510 -0.636 0.000 1.033 43 N CA -0.322 52.494 53.050 -0.389 0.000 0.944 43 N CB -0.117 38.218 38.487 -0.254 0.000 1.113 43 N HN 0.122 nan 8.380 nan 0.000 0.502 44 F N 1.687 121.227 119.950 -0.682 0.000 2.410 44 F HA 0.280 4.806 4.527 -0.000 0.000 0.348 44 F C 0.812 176.178 175.800 -0.723 0.000 1.106 44 F CA -0.137 57.366 58.000 -0.829 0.000 1.163 44 F CB 1.148 39.327 39.000 -1.369 0.000 1.129 44 F HN 0.308 nan 8.300 nan 0.000 0.516 45 Q N 5.106 124.705 119.800 -0.334 0.000 2.674 45 Q HA 0.399 4.738 4.340 -0.000 0.000 0.249 45 Q C -1.270 174.641 176.000 -0.147 0.000 1.011 45 Q CA -0.279 55.395 55.803 -0.214 0.000 0.734 45 Q CB 1.441 30.082 28.738 -0.161 0.000 1.201 45 Q HN 0.589 nan 8.270 nan 0.000 0.498 46 L N 2.248 123.393 121.223 -0.130 0.000 2.277 46 L HA 0.396 4.736 4.340 -0.000 0.000 0.284 46 L C -0.187 176.780 176.870 0.162 0.000 1.028 46 L CA -0.767 54.050 54.840 -0.038 0.000 0.835 46 L CB 0.744 42.662 42.059 -0.234 0.000 1.215 46 L HN 0.369 nan 8.230 nan 0.000 0.425 47 N N 4.020 122.800 118.700 0.132 0.000 2.437 47 N HA 0.164 4.904 4.740 -0.000 0.000 0.243 47 N C -0.892 174.770 175.510 0.253 0.000 1.041 47 N CA -0.379 52.769 53.050 0.163 0.000 0.940 47 N CB 0.821 39.357 38.487 0.082 0.000 1.133 47 N HN 0.368 nan 8.380 nan 0.000 0.506 48 L N 5.643 127.097 121.223 0.385 0.000 2.278 48 L HA 0.367 4.707 4.340 -0.000 0.000 0.287 48 L C -1.040 176.014 176.870 0.306 0.000 1.072 48 L CA -0.350 54.741 54.840 0.418 0.000 0.819 48 L CB 0.519 42.958 42.059 0.634 0.000 1.176 48 L HN 0.237 nan 8.230 nan 0.000 0.435 49 V N 5.885 125.942 119.914 0.239 0.000 2.311 49 V HA 0.267 4.387 4.120 -0.000 0.000 0.275 49 V C 0.249 176.452 176.094 0.181 0.000 1.022 49 V CA -0.827 61.585 62.300 0.186 0.000 0.830 49 V CB 1.196 33.107 31.823 0.146 0.000 1.012 49 V HN 0.725 nan 8.190 nan 0.000 0.452 50 N N 4.287 123.094 118.700 0.178 0.000 2.420 50 N HA 0.273 5.013 4.740 -0.000 0.000 0.249 50 N C 0.253 175.844 175.510 0.135 0.000 1.033 50 N CA -0.028 53.122 53.050 0.166 0.000 0.944 50 N CB 1.295 39.885 38.487 0.171 0.000 1.113 50 N HN 0.673 nan 8.380 nan 0.000 0.502 51 Q N 2.641 122.518 119.800 0.127 0.000 2.135 51 Q HA 0.267 4.607 4.340 -0.000 0.000 0.222 51 Q C -0.077 175.986 176.000 0.104 0.000 0.808 51 Q CA -0.224 55.643 55.803 0.107 0.000 1.049 51 Q CB 0.554 29.352 28.738 0.100 0.000 1.168 51 Q HN 0.570 nan 8.270 nan 0.000 0.483 52 M N 0.738 120.407 119.600 0.114 0.000 2.252 52 M HA 0.001 4.481 4.480 -0.000 0.000 0.333 52 M C 1.016 177.376 176.300 0.101 0.000 1.111 52 M CA 0.938 56.304 55.300 0.110 0.000 1.140 52 M CB 0.729 33.400 32.600 0.118 0.000 1.538 52 M HN 0.155 nan 8.290 nan 0.000 0.448 53 T N -2.853 111.759 114.554 0.096 0.000 2.958 53 T HA 0.105 4.455 4.350 -0.000 0.000 0.256 53 T C 0.490 175.260 174.700 0.116 0.000 0.983 53 T CA -0.398 61.760 62.100 0.098 0.000 0.924 53 T CB 0.072 68.991 68.868 0.085 0.000 1.136 53 T HN 0.604 nan 8.240 nan 0.000 0.506 54 N N 2.730 121.487 118.700 0.096 0.000 2.415 54 N HA 0.043 4.782 4.740 -0.000 0.000 0.246 54 N C 1.286 176.828 175.510 0.054 0.000 1.078 54 N CA -0.143 52.946 53.050 0.065 0.000 0.942 54 N CB 0.587 39.084 38.487 0.017 0.000 1.140 54 N HN 0.550 nan 8.380 nan 0.000 0.501 55 H N 2.252 121.350 119.070 0.046 0.000 2.421 55 H HA -0.058 4.498 4.556 -0.000 0.000 0.298 55 H C 0.564 175.918 175.328 0.044 0.000 1.087 55 H CA 1.360 57.435 56.048 0.045 0.000 1.330 55 H CB -0.321 29.462 29.762 0.034 0.000 1.388 55 H HN 0.358 nan 8.280 nan 0.000 0.526 56 T N 1.271 115.536 114.554 -0.481 0.000 2.904 56 T HA 0.033 4.382 4.350 -0.000 0.000 0.267 56 T C 1.984 176.625 174.700 -0.099 0.000 1.059 56 T CA 1.178 63.107 62.100 -0.285 0.000 1.137 56 T CB -0.096 68.573 68.868 -0.332 0.000 0.879 56 T HN 0.350 nan 8.240 nan 0.000 0.467 57 M N 0.698 120.258 119.600 -0.067 0.000 2.495 57 M HA 0.328 4.808 4.480 -0.000 0.000 0.237 57 M C -0.586 175.737 176.300 0.038 0.000 1.131 57 M CA 0.188 55.483 55.300 -0.007 0.000 1.032 57 M CB 0.092 32.696 32.600 0.007 0.000 1.513 57 M HN 0.118 nan 8.290 nan 0.000 0.488 58 L N 0.382 121.637 121.223 0.054 0.000 1.714 58 L HA -0.219 4.121 4.340 -0.000 0.000 0.484 58 L C 0.500 177.439 176.870 0.116 0.000 1.002 58 L CA -0.086 54.815 54.840 0.100 0.000 1.207 58 L CB -0.467 41.658 42.059 0.110 0.000 1.513 58 L HN 0.295 nan 8.230 nan 0.000 0.810 59 K N -0.001 120.478 120.400 0.133 0.000 2.305 59 K HA 0.019 4.338 4.320 -0.000 0.000 0.199 59 K C 1.025 177.709 176.600 0.140 0.000 1.047 59 K CA 1.293 57.658 56.287 0.130 0.000 0.976 59 K CB 0.117 32.691 32.500 0.123 0.000 0.765 59 K HN 0.785 nan 8.250 nan 0.000 0.474 60 T N -2.070 112.582 114.554 0.163 0.000 2.881 60 T HA 0.364 4.714 4.350 -0.000 0.000 0.278 60 T C 0.155 174.939 174.700 0.139 0.000 0.982 60 T CA -0.606 61.597 62.100 0.171 0.000 0.989 60 T CB 2.026 71.047 68.868 0.256 0.000 1.058 60 T HN -0.100 nan 8.240 nan 0.000 0.529 61 T N -0.622 114.000 114.554 0.113 0.000 2.769 61 T HA 0.611 4.961 4.350 -0.000 0.000 0.306 61 T C -1.733 173.018 174.700 0.084 0.000 1.400 61 T CA -0.608 61.558 62.100 0.111 0.000 1.007 61 T CB 1.676 70.634 68.868 0.151 0.000 1.392 61 T HN 0.952 nan 8.240 nan 0.000 0.500 62 S N 1.367 117.127 115.700 0.100 0.000 2.533 62 S HA 0.717 5.187 4.470 -0.000 0.000 0.271 62 S C -1.765 172.895 174.600 0.100 0.000 1.143 62 S CA -0.730 57.549 58.200 0.131 0.000 0.891 62 S CB 0.709 63.916 63.200 0.012 0.000 1.105 62 S HN 0.573 nan 8.310 nan 0.000 0.468 63 I N 4.242 124.830 120.570 0.030 0.000 2.404 63 I HA 0.393 4.563 4.170 -0.000 0.000 0.293 63 I C -0.143 175.526 176.117 -0.746 0.000 0.992 63 I CA -0.531 60.505 61.300 -0.441 0.000 1.149 63 I CB 1.273 38.805 38.000 -0.780 0.000 1.315 63 I HN 0.806 nan 8.210 nan 0.000 0.446 64 H N 5.511 124.071 119.070 -0.850 0.000 2.458 64 H HA 0.459 5.015 4.556 -0.000 0.000 0.330 64 H C -1.601 173.051 175.328 -1.126 0.000 1.111 64 H CA -0.528 55.020 56.048 -0.832 0.000 1.245 64 H CB 0.966 30.491 29.762 -0.394 0.000 1.456 64 H HN 0.427 nan 8.280 nan 0.000 0.488 65 W N 5.072 125.868 121.300 -0.838 0.000 2.298 65 W HA 0.214 4.874 4.660 -0.000 0.000 0.327 65 W C -0.253 175.682 176.519 -0.973 0.000 0.988 65 W CA -0.928 56.023 57.345 -0.657 0.000 1.448 65 W CB -0.033 29.101 29.460 -0.543 0.000 1.243 65 W HN 0.677 nan 8.180 nan 0.000 0.388 66 H N 1.831 120.330 119.070 -0.952 0.000 2.819 66 H HA 0.420 4.976 4.556 -0.000 0.000 0.303 66 H C 1.343 176.339 175.328 -0.553 0.000 1.058 66 H CA 1.493 57.014 56.048 -0.880 0.000 1.471 66 H CB 0.560 29.809 29.762 -0.855 0.000 1.480 66 H HN 0.792 nan 8.280 nan 0.000 0.517 67 G N 3.824 112.338 108.800 -0.477 0.000 2.195 67 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.224 67 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.224 67 G C -0.260 174.220 174.900 -0.700 0.000 0.990 67 G CA -0.082 44.842 45.100 -0.293 0.000 0.639 67 G HN 0.492 nan 8.290 nan 0.000 0.514 68 F N 0.879 120.482 119.950 -0.578 0.000 2.412 68 F HA 0.666 5.192 4.527 -0.000 0.000 0.348 68 F C 1.383 176.914 175.800 -0.449 0.000 1.102 68 F CA -1.134 56.425 58.000 -0.736 0.000 1.196 68 F CB 0.484 39.001 39.000 -0.805 0.000 1.144 68 F HN -0.098 nan 8.300 nan 0.000 0.541 69 F N 0.024 119.878 119.950 -0.159 0.000 2.293 69 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 69 F C 1.412 177.048 175.800 -0.272 0.000 1.086 69 F CA 0.496 58.312 58.000 -0.308 0.000 1.375 69 F CB -0.780 38.060 39.000 -0.266 0.000 1.045 69 F HN 0.400 nan 8.300 nan 0.000 0.516 70 Q N 0.128 119.941 119.800 0.022 0.000 2.481 70 Q HA -0.278 4.061 4.340 -0.000 0.000 0.272 70 Q C 0.269 176.378 176.000 0.182 0.000 1.157 70 Q CA 0.692 56.525 55.803 0.051 0.000 0.935 70 Q CB -1.950 26.864 28.738 0.127 0.000 1.338 70 Q HN 0.526 nan 8.270 nan 0.000 0.494 71 K N 0.084 120.570 120.400 0.143 0.000 2.383 71 K HA 0.252 4.572 4.320 -0.000 0.000 0.286 71 K C 1.267 177.950 176.600 0.138 0.000 1.051 71 K CA 1.131 57.514 56.287 0.160 0.000 0.974 71 K CB 0.092 32.655 32.500 0.104 0.000 0.968 71 K HN 0.377 nan 8.250 nan 0.000 0.475 72 G N 2.744 111.637 108.800 0.155 0.000 2.205 72 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.261 72 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.261 72 G C 0.280 175.249 174.900 0.115 0.000 0.980 72 G CA 0.650 45.824 45.100 0.125 0.000 0.632 72 G HN 0.775 nan 8.290 nan 0.000 0.533 73 T N -2.092 112.479 114.554 0.029 0.000 3.584 73 T HA 0.401 4.751 4.350 -0.000 0.000 0.259 73 T C 0.972 175.416 174.700 -0.427 0.000 1.009 73 T CA 0.546 62.485 62.100 -0.269 0.000 1.103 73 T CB 0.377 69.055 68.868 -0.316 0.000 1.099 73 T HN 0.217 nan 8.240 nan 0.000 0.539 74 N N 1.854 120.448 118.700 -0.177 0.000 2.272 74 N HA -0.117 4.622 4.740 -0.000 0.000 0.185 74 N C 1.642 177.011 175.510 -0.235 0.000 1.014 74 N CA 1.718 54.631 53.050 -0.229 0.000 0.870 74 N CB -0.080 38.163 38.487 -0.406 0.000 0.975 74 N HN 0.876 nan 8.380 nan 0.000 0.433 75 W N 0.136 121.325 121.300 -0.185 0.000 2.525 75 W HA 0.139 4.799 4.660 -0.000 0.000 0.259 75 W C 1.139 177.759 176.519 0.169 0.000 1.253 75 W CA 0.501 57.692 57.345 -0.257 0.000 1.262 75 W CB -0.622 28.295 29.460 -0.904 0.000 1.122 75 W HN 0.034 nan 8.180 nan 0.000 0.607 76 A N 0.643 123.148 122.820 -0.525 0.000 2.308 76 A HA 0.009 4.328 4.320 -0.000 0.000 0.217 76 A C 1.492 179.240 177.584 0.274 0.000 1.216 76 A CA 0.908 52.864 52.037 -0.135 0.000 0.864 76 A CB -0.611 17.966 19.000 -0.704 0.000 0.902 76 A HN 0.152 nan 8.150 nan 0.000 0.499 77 D N -0.843 119.661 120.400 0.174 0.000 2.183 77 D HA 0.137 4.777 4.640 -0.000 0.000 0.203 77 D C 1.590 178.075 176.300 0.309 0.000 0.969 77 D CA 2.236 56.405 54.000 0.281 0.000 0.842 77 D CB 0.094 41.099 40.800 0.342 0.000 0.957 77 D HN 0.491 nan 8.370 nan 0.000 0.484 78 G N -1.058 107.879 108.800 0.229 0.000 2.491 78 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.203 78 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.203 78 G C -1.968 172.896 174.900 -0.060 0.000 1.052 78 G CA -0.227 44.950 45.100 0.129 0.000 0.675 78 G HN 0.285 nan 8.290 nan 0.000 0.504 79 P HA 0.424 nan 4.420 nan 0.000 0.260 79 P C 0.323 177.426 177.300 -0.329 0.000 1.185 79 P CA 0.957 63.717 63.100 -0.565 0.000 0.763 79 P CB 0.773 31.877 31.700 -0.994 0.000 0.776 80 A N 4.447 127.146 122.820 -0.200 0.000 2.520 80 A HA 0.284 4.604 4.320 -0.000 0.000 0.245 80 A C 0.413 177.792 177.584 -0.342 0.000 1.072 80 A CA 0.067 51.847 52.037 -0.428 0.000 0.761 80 A CB -1.134 17.644 19.000 -0.371 0.000 1.004 80 A HN 0.620 nan 8.150 nan 0.000 0.499 81 F N -0.230 119.627 119.950 -0.156 0.000 2.748 81 F HA -0.256 4.271 4.527 -0.000 0.000 0.370 81 F C 0.957 176.678 175.800 -0.132 0.000 0.620 81 F CA 0.873 58.801 58.000 -0.119 0.000 1.233 81 F CB -1.579 37.386 39.000 -0.058 0.000 1.708 81 F HN 0.482 nan 8.300 nan 0.000 0.298 82 I N -0.877 119.585 120.570 -0.180 0.000 3.132 82 I HA 0.087 4.257 4.170 -0.000 0.000 0.255 82 I C 1.566 177.590 176.117 -0.156 0.000 1.118 82 I CA 1.417 62.558 61.300 -0.264 0.000 1.463 82 I CB -0.969 36.629 38.000 -0.670 0.000 1.356 82 I HN 0.106 nan 8.210 nan 0.000 0.463 83 N N 0.060 118.678 118.700 -0.137 0.000 2.273 83 N HA 0.077 4.816 4.740 -0.000 0.000 0.192 83 N C 0.072 175.778 175.510 0.326 0.000 1.132 83 N CA -0.103 52.975 53.050 0.047 0.000 0.887 83 N CB 0.696 39.176 38.487 -0.013 0.000 1.048 83 N HN 0.485 nan 8.380 nan 0.000 0.490 84 Q N -1.452 118.382 119.800 0.058 0.000 2.756 84 Q HA 0.455 4.795 4.340 -0.000 0.000 0.295 84 Q C -1.579 174.132 176.000 -0.483 0.000 0.903 84 Q CA -0.941 54.780 55.803 -0.137 0.000 0.768 84 Q CB 0.732 29.418 28.738 -0.087 0.000 1.472 84 Q HN -0.100 nan 8.270 nan 0.000 0.416 85 c N 1.678 119.896 118.600 -0.638 0.000 2.459 85 c HA 0.564 5.134 4.570 -0.000 0.000 0.374 85 c C -2.051 171.603 174.090 -0.726 0.000 1.241 85 c CA -0.746 55.104 56.329 -0.799 0.000 2.352 85 c CB 0.131 42.307 42.510 -0.556 0.000 2.490 85 c HN 0.639 nan 8.230 nan 0.000 0.583 86 P HA 0.192 nan 4.420 nan 0.000 0.269 86 P C -0.732 176.431 177.300 -0.229 0.000 1.215 86 P CA 0.206 63.020 63.100 -0.477 0.000 0.780 86 P CB 0.280 31.706 31.700 -0.457 0.000 0.898 87 I N 1.098 121.615 120.570 -0.089 0.000 2.395 87 I HA 0.295 4.465 4.170 -0.000 0.000 0.289 87 I C 0.855 177.029 176.117 0.096 0.000 1.023 87 I CA -0.549 60.749 61.300 -0.002 0.000 1.350 87 I CB 0.789 38.843 38.000 0.091 0.000 1.409 87 I HN 0.312 nan 8.210 nan 0.000 0.507 88 A N 4.931 127.815 122.820 0.107 0.000 2.407 88 A HA 0.292 4.612 4.320 -0.000 0.000 0.248 88 A C 0.376 178.029 177.584 0.114 0.000 1.082 88 A CA -0.217 51.893 52.037 0.121 0.000 0.785 88 A CB 0.570 19.624 19.000 0.091 0.000 1.020 88 A HN 0.692 nan 8.150 nan 0.000 0.489 89 S N 0.382 116.148 115.700 0.110 0.000 2.562 89 S HA 0.434 4.904 4.470 -0.000 0.000 0.281 89 S C 1.418 176.071 174.600 0.088 0.000 1.333 89 S CA 1.005 59.268 58.200 0.104 0.000 1.052 89 S CB 0.055 63.314 63.200 0.099 0.000 0.884 89 S HN 2.422 nan 8.310 nan 0.000 0.506 90 G N 3.892 112.747 108.800 0.091 0.000 2.195 90 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.246 90 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.246 90 G C -0.049 174.901 174.900 0.084 0.000 0.984 90 G CA 0.236 45.383 45.100 0.079 0.000 0.633 90 G HN 0.746 nan 8.290 nan 0.000 0.525 91 N N -0.338 118.422 118.700 0.100 0.000 2.432 91 N HA 0.686 5.426 4.740 -0.000 0.000 0.292 91 N C -0.565 175.032 175.510 0.145 0.000 1.193 91 N CA -0.360 52.757 53.050 0.111 0.000 0.878 91 N CB 1.491 40.042 38.487 0.107 0.000 1.252 91 N HN 0.149 nan 8.380 nan 0.000 0.520 92 S N 0.410 116.205 115.700 0.158 0.000 2.607 92 S HA 0.603 5.073 4.470 -0.000 0.000 0.303 92 S C -1.451 173.316 174.600 0.279 0.000 1.086 92 S CA -0.531 57.788 58.200 0.198 0.000 0.995 92 S CB 1.224 64.511 63.200 0.145 0.000 1.084 92 S HN 0.454 nan 8.310 nan 0.000 0.507 93 F N 1.972 121.990 119.950 0.115 0.000 2.588 93 F HA 0.543 5.070 4.527 -0.000 0.000 0.318 93 F C -1.685 174.164 175.800 0.081 0.000 1.155 93 F CA -1.006 57.029 58.000 0.058 0.000 0.967 93 F CB 0.954 39.955 39.000 0.002 0.000 1.236 93 F HN 0.418 nan 8.300 nan 0.000 0.455 94 L N 7.541 128.367 121.223 -0.662 0.000 2.278 94 L HA 0.419 4.759 4.340 -0.000 0.000 0.287 94 L C -1.559 175.006 176.870 -0.509 0.000 1.072 94 L CA -0.127 54.484 54.840 -0.383 0.000 0.819 94 L CB -0.073 41.860 42.059 -0.211 0.000 1.176 94 L HN 0.529 nan 8.230 nan 0.000 0.435 95 Y N 3.768 124.055 120.300 -0.021 0.000 2.365 95 Y HA 0.368 4.918 4.550 -0.000 0.000 0.340 95 Y C 0.070 175.999 175.900 0.048 0.000 1.016 95 Y CA -0.203 57.995 58.100 0.163 0.000 1.196 95 Y CB 0.811 39.492 38.460 0.369 0.000 1.167 95 Y HN 0.537 nan 8.280 nan 0.000 0.509 96 D N 5.734 126.291 120.400 0.262 0.000 2.421 96 D HA 0.293 4.932 4.640 -0.000 0.000 0.254 96 D C -1.334 175.036 176.300 0.116 0.000 1.238 96 D CA -0.350 53.711 54.000 0.102 0.000 0.919 96 D CB 0.177 41.094 40.800 0.195 0.000 1.152 96 D HN 0.295 nan 8.370 nan 0.000 0.552 97 F N 0.279 120.160 119.950 -0.115 0.000 2.715 97 F HA 0.647 5.174 4.527 -0.000 0.000 0.318 97 F C -0.902 174.835 175.800 -0.105 0.000 1.141 97 F CA -0.988 56.921 58.000 -0.152 0.000 0.950 97 F CB 1.148 39.982 39.000 -0.277 0.000 1.374 97 F HN 0.005 nan 8.300 nan 0.000 0.477 98 Q N 0.461 120.337 119.800 0.126 0.000 2.399 98 Q HA 0.652 4.992 4.340 -0.000 0.000 0.276 98 Q C -0.941 175.114 176.000 0.091 0.000 1.098 98 Q CA -1.355 54.467 55.803 0.031 0.000 0.827 98 Q CB 3.189 31.932 28.738 0.008 0.000 1.386 98 Q HN 0.762 nan 8.270 nan 0.000 0.443 99 V N -1.699 118.230 119.914 0.025 0.000 2.592 99 V HA 0.378 4.498 4.120 -0.000 0.000 0.278 99 V C -2.524 173.571 176.094 0.003 0.000 1.087 99 V CA -1.968 60.314 62.300 -0.031 0.000 1.282 99 V CB -0.247 31.483 31.823 -0.154 0.000 1.543 99 V HN 0.536 nan 8.190 nan 0.000 0.606 100 P HA 0.252 nan 4.420 nan 0.000 0.268 100 P C 1.139 178.475 177.300 0.060 0.000 1.204 100 P CA 1.761 64.886 63.100 0.042 0.000 0.768 100 P CB 1.262 32.995 31.700 0.054 0.000 0.842 101 G N 1.845 110.680 108.800 0.059 0.000 2.189 101 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.267 101 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.267 101 G C -0.024 174.920 174.900 0.073 0.000 0.975 101 G CA -0.008 45.139 45.100 0.077 0.000 0.644 101 G HN 0.651 nan 8.290 nan 0.000 0.537 102 Q N -0.426 119.397 119.800 0.038 0.000 2.353 102 Q HA 0.734 5.073 4.340 -0.000 0.000 0.268 102 Q C -0.322 175.757 176.000 0.133 0.000 1.045 102 Q CA -0.051 55.774 55.803 0.036 0.000 0.811 102 Q CB 2.384 31.029 28.738 -0.155 0.000 1.305 102 Q HN 1.081 nan 8.270 nan 0.000 0.447 103 A N 1.073 124.024 122.820 0.219 0.000 2.532 103 A HA 0.887 5.207 4.320 -0.000 0.000 0.296 103 A C -0.583 177.157 177.584 0.259 0.000 1.058 103 A CA 0.166 52.358 52.037 0.259 0.000 0.729 103 A CB 1.651 20.752 19.000 0.167 0.000 1.285 103 A HN 0.870 nan 8.150 nan 0.000 0.396 104 G N -0.211 108.753 108.800 0.273 0.000 2.368 104 G HA2 0.535 4.494 3.960 -0.000 0.000 0.269 104 G HA3 0.535 4.494 3.960 -0.000 0.000 0.269 104 G C -0.885 173.881 174.900 -0.223 0.000 1.291 104 G CA 0.179 45.248 45.100 -0.052 0.000 0.903 104 G HN 1.183 nan 8.290 nan 0.000 0.483 105 T N 1.050 115.215 114.554 -0.647 0.000 2.779 105 T HA 0.747 5.097 4.350 -0.000 0.000 0.280 105 T C -0.998 173.192 174.700 -0.851 0.000 0.987 105 T CA 0.088 61.900 62.100 -0.481 0.000 0.966 105 T CB 0.801 69.472 68.868 -0.327 0.000 0.933 105 T HN 0.402 nan 8.240 nan 0.000 0.442 106 F N 1.314 121.237 119.950 -0.045 0.000 2.849 106 F HA 0.838 5.365 4.527 -0.000 0.000 0.341 106 F C -0.766 175.184 175.800 0.250 0.000 1.185 106 F CA -0.980 56.984 58.000 -0.060 0.000 1.007 106 F CB 1.523 40.239 39.000 -0.473 0.000 1.454 106 F HN 0.620 nan 8.300 nan 0.000 0.518 107 W N 0.249 121.645 121.300 0.160 0.000 2.923 107 W HA 0.610 5.270 4.660 -0.000 0.000 0.373 107 W C -2.538 174.178 176.519 0.327 0.000 1.205 107 W CA -1.746 55.737 57.345 0.231 0.000 1.180 107 W CB 0.479 29.920 29.460 -0.032 0.000 1.477 107 W HN 0.626 nan 8.180 nan 0.000 0.581 108 Y N 0.164 120.558 120.300 0.156 0.000 2.562 108 Y HA 0.775 5.325 4.550 -0.000 0.000 0.345 108 Y C -1.051 174.677 175.900 -0.287 0.000 1.045 108 Y CA -1.429 56.513 58.100 -0.264 0.000 1.028 108 Y CB 1.464 39.929 38.460 0.008 0.000 1.297 108 Y HN 0.758 nan 8.280 nan 0.000 0.463 109 H N -1.212 117.561 119.070 -0.495 0.000 3.037 109 H HA 0.533 5.089 4.556 -0.000 0.000 0.336 109 H C -1.039 174.169 175.328 -0.200 0.000 1.323 109 H CA -0.972 54.823 56.048 -0.421 0.000 1.159 109 H CB 1.005 30.280 29.762 -0.810 0.000 1.882 109 H HN 0.806 nan 8.280 nan 0.000 0.535 110 S N 0.360 116.151 115.700 0.152 0.000 2.558 110 S HA -0.062 4.408 4.470 -0.000 0.000 0.291 110 S C -0.018 174.762 174.600 0.299 0.000 1.306 110 S CA -0.081 58.229 58.200 0.183 0.000 1.056 110 S CB -0.063 63.266 63.200 0.214 0.000 0.836 110 S HN 0.827 nan 8.310 nan 0.000 0.504 111 H N 3.833 122.981 119.070 0.131 0.000 2.528 111 H HA 0.387 4.943 4.556 -0.000 0.000 0.256 111 H C -0.995 174.385 175.328 0.087 0.000 1.204 111 H CA -0.403 55.737 56.048 0.153 0.000 0.955 111 H CB 0.149 29.958 29.762 0.077 0.000 1.817 111 H HN 0.474 nan 8.280 nan 0.000 0.579 112 L N 0.795 122.130 121.223 0.186 0.000 2.319 112 L HA 0.359 4.699 4.340 -0.000 0.000 0.281 112 L C 0.595 177.534 176.870 0.115 0.000 1.005 112 L CA 0.426 55.352 54.840 0.143 0.000 0.828 112 L CB 1.252 43.370 42.059 0.097 0.000 1.227 112 L HN 0.296 nan 8.230 nan 0.000 0.415 113 S N 2.951 118.727 115.700 0.127 0.000 3.469 113 S HA -0.301 4.169 4.470 -0.000 0.000 0.628 113 S C 0.958 175.524 174.600 -0.057 0.000 2.687 113 S CA 1.802 60.039 58.200 0.062 0.000 3.829 113 S CB -1.372 61.872 63.200 0.073 0.000 0.258 113 S HN 1.365 nan 8.310 nan 0.000 1.222 114 T N 0.222 114.709 114.554 -0.112 0.000 3.244 114 T HA 0.341 4.691 4.350 -0.000 0.000 0.254 114 T C 1.286 175.837 174.700 -0.249 0.000 1.024 114 T CA 0.912 62.836 62.100 -0.294 0.000 0.920 114 T CB 0.283 68.967 68.868 -0.306 0.000 1.042 114 T HN 0.608 nan 8.240 nan 0.000 0.572 115 Q N 0.891 120.636 119.800 -0.091 0.000 2.170 115 Q HA -0.200 4.140 4.340 -0.000 0.000 0.203 115 Q C 1.883 177.924 176.000 0.068 0.000 0.976 115 Q CA 1.682 57.487 55.803 0.004 0.000 0.858 115 Q CB -0.347 28.437 28.738 0.076 0.000 0.907 115 Q HN 0.926 nan 8.270 nan 0.000 0.433 116 Y N -1.719 118.597 120.300 0.026 0.000 2.403 116 Y HA -0.150 4.400 4.550 -0.000 0.000 0.291 116 Y C 2.106 178.078 175.900 0.120 0.000 1.143 116 Y CA 0.656 58.813 58.100 0.096 0.000 1.257 116 Y CB -1.226 37.297 38.460 0.105 0.000 0.984 116 Y HN 0.169 nan 8.280 nan 0.000 0.550 117 c N 1.301 119.800 118.600 -0.168 0.000 2.425 117 c HA -0.161 4.409 4.570 -0.000 0.000 0.277 117 c C 2.117 176.215 174.090 0.013 0.000 1.280 117 c CA 1.670 57.939 56.329 -0.100 0.000 1.744 117 c CB -1.273 41.011 42.510 -0.377 0.000 1.989 117 c HN 0.633 nan 8.230 nan 0.000 0.491 118 D N -0.872 119.525 120.400 -0.006 0.000 2.363 118 D HA 0.138 4.778 4.640 -0.000 0.000 0.226 118 D C 1.648 178.041 176.300 0.156 0.000 1.020 118 D CA 1.296 55.292 54.000 -0.007 0.000 0.892 118 D CB 0.060 40.856 40.800 -0.006 0.000 0.900 118 D HN 0.720 nan 8.370 nan 0.000 0.531 119 G N 0.114 109.104 108.800 0.316 0.000 3.246 119 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 119 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 119 G C 0.225 175.464 174.900 0.565 0.000 0.978 119 G CA -0.526 44.872 45.100 0.496 0.000 0.825 119 G HN 0.283 nan 8.290 nan 0.000 0.546 120 L N 2.845 124.303 121.223 0.391 0.000 2.399 120 L HA 0.604 4.944 4.340 -0.000 0.000 0.257 120 L C 0.368 177.373 176.870 0.225 0.000 1.236 120 L CA -0.448 54.561 54.840 0.281 0.000 1.144 120 L CB -0.436 41.761 42.059 0.229 0.000 1.379 120 L HN 0.399 nan 8.230 nan 0.000 0.414 121 R N 2.055 122.648 120.500 0.156 0.000 2.561 121 R HA 0.817 5.157 4.340 -0.000 0.000 0.266 121 R C -0.936 175.260 176.300 -0.173 0.000 1.091 121 R CA -0.928 55.200 56.100 0.047 0.000 0.927 121 R CB 1.284 31.783 30.300 0.333 0.000 1.240 121 R HN 0.302 nan 8.270 nan 0.000 0.449 122 G N 1.580 110.157 108.800 -0.373 0.000 2.608 122 G HA2 0.652 4.612 3.960 -0.000 0.000 0.291 122 G HA3 0.652 4.612 3.960 -0.000 0.000 0.291 122 G C -3.210 171.700 174.900 0.017 0.000 1.425 122 G CA -1.316 43.615 45.100 -0.282 0.000 0.787 122 G HN 0.389 nan 8.290 nan 0.000 0.484 123 P HA 0.623 nan 4.420 nan 0.000 0.278 123 P C -1.576 176.040 177.300 0.527 0.000 1.258 123 P CA -0.539 62.738 63.100 0.294 0.000 0.811 123 P CB 1.643 33.413 31.700 0.116 0.000 1.063 124 F N 0.987 121.139 119.950 0.336 0.000 2.653 124 F HA 0.360 4.887 4.527 -0.000 0.000 0.327 124 F C -1.685 174.272 175.800 0.262 0.000 1.195 124 F CA -0.891 57.305 58.000 0.327 0.000 0.993 124 F CB 1.153 40.425 39.000 0.453 0.000 1.259 124 F HN -0.050 nan 8.300 nan 0.000 0.478 125 V N 6.155 126.323 119.914 0.423 0.000 2.495 125 V HA 0.603 4.723 4.120 -0.000 0.000 0.298 125 V C -0.856 175.315 176.094 0.127 0.000 1.031 125 V CA -0.892 61.508 62.300 0.167 0.000 0.871 125 V CB 1.922 33.609 31.823 -0.226 0.000 0.988 125 V HN 0.486 nan 8.190 nan 0.000 0.432 126 V N 5.353 125.382 119.914 0.192 0.000 2.350 126 V HA 0.433 4.553 4.120 -0.000 0.000 0.285 126 V C -0.777 175.329 176.094 0.019 0.000 1.014 126 V CA -0.731 61.694 62.300 0.208 0.000 0.831 126 V CB 1.070 33.125 31.823 0.386 0.000 1.000 126 V HN 0.712 nan 8.190 nan 0.000 0.433 127 Y N 2.096 122.519 120.300 0.205 0.000 2.301 127 Y HA 0.431 4.981 4.550 -0.000 0.000 0.328 127 Y C 0.557 176.529 175.900 0.119 0.000 1.242 127 Y CA -0.508 57.676 58.100 0.140 0.000 1.323 127 Y CB 0.751 39.270 38.460 0.099 0.000 1.266 127 Y HN 0.535 nan 8.280 nan 0.000 0.527 128 D N 3.389 123.955 120.400 0.275 0.000 2.414 128 D HA 0.253 4.892 4.640 -0.000 0.000 0.232 128 D C -1.926 174.457 176.300 0.139 0.000 1.070 128 D CA -2.541 51.561 54.000 0.170 0.000 0.839 128 D CB 1.640 42.521 40.800 0.135 0.000 1.079 128 D HN 0.210 nan 8.370 nan 0.000 0.521 129 P HA -0.060 nan 4.420 nan 0.000 0.225 129 P C -0.290 177.032 177.300 0.036 0.000 1.148 129 P CA 0.753 63.885 63.100 0.053 0.000 0.779 129 P CB 0.270 31.988 31.700 0.029 0.000 0.780 130 N N -0.235 118.490 118.700 0.041 0.000 2.480 130 N HA 0.049 4.789 4.740 -0.000 0.000 0.281 130 N C -0.264 175.263 175.510 0.027 0.000 1.381 130 N CA -0.343 52.721 53.050 0.022 0.000 0.903 130 N CB 0.024 38.519 38.487 0.012 0.000 1.274 130 N HN -0.049 nan 8.380 nan 0.000 0.505 131 D N 2.123 122.557 120.400 0.057 0.000 2.520 131 D HA -0.036 4.604 4.640 -0.000 0.000 0.243 131 D C -1.093 175.224 176.300 0.027 0.000 1.160 131 D CA -0.987 53.057 54.000 0.073 0.000 0.877 131 D CB 1.111 42.008 40.800 0.162 0.000 1.150 131 D HN 0.213 nan 8.370 nan 0.000 0.494 132 P HA -0.120 nan 4.420 nan 0.000 0.228 132 P C 0.636 177.917 177.300 -0.031 0.000 1.151 132 P CA 0.871 63.930 63.100 -0.068 0.000 0.770 132 P CB 0.256 31.871 31.700 -0.141 0.000 0.786 133 H N -0.862 118.238 119.070 0.049 0.000 2.551 133 H HA 0.367 4.923 4.556 -0.000 0.000 0.271 133 H C 1.890 177.151 175.328 -0.111 0.000 0.984 133 H CA 0.179 56.263 56.048 0.059 0.000 1.164 133 H CB -0.275 29.604 29.762 0.195 0.000 1.437 133 H HN 0.069 nan 8.280 nan 0.000 0.550 134 A N 1.467 124.228 122.820 -0.098 0.000 2.024 134 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 134 A C 2.161 179.389 177.584 -0.593 0.000 1.164 134 A CA 1.735 53.490 52.037 -0.471 0.000 0.643 134 A CB -0.699 18.180 19.000 -0.201 0.000 0.806 134 A HN 0.715 nan 8.150 nan 0.000 0.451 135 N N -0.426 118.103 118.700 -0.286 0.000 2.512 135 N HA 0.022 4.762 4.740 -0.000 0.000 0.183 135 N C 1.201 176.590 175.510 -0.203 0.000 1.073 135 N CA 0.814 53.740 53.050 -0.207 0.000 0.911 135 N CB -0.369 38.063 38.487 -0.093 0.000 0.964 135 N HN 0.461 nan 8.380 nan 0.000 0.447 136 L N -0.850 120.231 121.223 -0.236 0.000 2.558 136 L HA 0.154 4.494 4.340 -0.000 0.000 0.225 136 L C -0.360 176.502 176.870 -0.013 0.000 1.128 136 L CA -0.129 54.669 54.840 -0.070 0.000 0.868 136 L CB -0.431 41.662 42.059 0.056 0.000 1.006 136 L HN 0.351 nan 8.230 nan 0.000 0.454 137 Y N -5.048 115.215 120.300 -0.063 0.000 2.638 137 Y HA 0.404 4.954 4.550 -0.000 0.000 0.335 137 Y C -0.067 175.739 175.900 -0.156 0.000 1.155 137 Y CA -1.399 56.627 58.100 -0.122 0.000 1.046 137 Y CB 0.490 38.863 38.460 -0.145 0.000 1.303 137 Y HN -0.213 nan 8.280 nan 0.000 0.460 138 D N 0.426 120.794 120.400 -0.053 0.000 2.379 138 D HA 0.165 4.805 4.640 -0.000 0.000 0.218 138 D C -0.357 175.865 176.300 -0.131 0.000 1.006 138 D CA 0.896 54.812 54.000 -0.141 0.000 0.893 138 D CB 1.362 42.031 40.800 -0.219 0.000 1.019 138 D HN 0.253 nan 8.370 nan 0.000 0.503 139 V N 1.383 121.168 119.914 -0.215 0.000 2.588 139 V HA 0.384 4.504 4.120 -0.000 0.000 0.304 139 V C -1.141 174.851 176.094 -0.171 0.000 1.042 139 V CA -0.777 61.382 62.300 -0.235 0.000 0.877 139 V CB 2.396 33.947 31.823 -0.454 0.000 0.996 139 V HN -0.090 nan 8.190 nan 0.000 0.425 140 D N 3.262 123.608 120.400 -0.091 0.000 2.365 140 D HA 0.531 5.170 4.640 -0.000 0.000 0.235 140 D C -1.100 175.178 176.300 -0.036 0.000 1.368 140 D CA -0.178 53.761 54.000 -0.103 0.000 1.001 140 D CB 1.351 42.126 40.800 -0.041 0.000 1.364 140 D HN 0.750 nan 8.370 nan 0.000 0.577 141 D N 0.529 120.926 120.400 -0.006 0.000 2.946 141 D HA 0.143 4.783 4.640 -0.000 0.000 0.337 141 D C 0.831 177.180 176.300 0.082 0.000 1.332 141 D CA -0.597 53.417 54.000 0.023 0.000 0.935 141 D CB 0.179 40.958 40.800 -0.034 0.000 1.440 141 D HN 0.142 nan 8.370 nan 0.000 0.540 142 E N -0.450 119.795 120.200 0.076 0.000 2.204 142 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 142 E C 1.351 177.986 176.600 0.058 0.000 0.990 142 E CA 1.619 58.066 56.400 0.078 0.000 0.821 142 E CB -0.035 29.702 29.700 0.061 0.000 0.750 142 E HN 0.404 nan 8.360 nan 0.000 0.477 143 S N -0.768 114.962 115.700 0.050 0.000 2.561 143 S HA -0.072 4.398 4.470 -0.000 0.000 0.225 143 S C 1.709 176.371 174.600 0.104 0.000 0.977 143 S CA 1.002 59.239 58.200 0.063 0.000 0.926 143 S CB -0.109 63.125 63.200 0.057 0.000 0.769 143 S HN 0.321 nan 8.310 nan 0.000 0.533 144 T N -0.960 113.635 114.554 0.068 0.000 3.092 144 T HA 0.412 4.761 4.350 -0.000 0.000 0.258 144 T C 0.170 174.946 174.700 0.127 0.000 1.031 144 T CA -0.392 61.754 62.100 0.076 0.000 0.925 144 T CB -0.106 68.598 68.868 -0.274 0.000 1.036 144 T HN 0.121 nan 8.240 nan 0.000 0.544 145 V N 2.460 122.418 119.914 0.074 0.000 2.498 145 V HA 0.443 4.563 4.120 -0.000 0.000 0.279 145 V C 0.038 176.137 176.094 0.007 0.000 1.048 145 V CA -0.660 61.653 62.300 0.021 0.000 0.967 145 V CB 0.918 32.749 31.823 0.013 0.000 0.988 145 V HN 0.485 nan 8.190 nan 0.000 0.473 146 I N 4.729 125.266 120.570 -0.054 0.000 2.411 146 I HA 0.336 4.506 4.170 -0.000 0.000 0.284 146 I C 0.294 176.315 176.117 -0.161 0.000 1.012 146 I CA -0.315 60.926 61.300 -0.098 0.000 1.119 146 I CB 1.962 39.884 38.000 -0.129 0.000 1.261 146 I HN 0.687 nan 8.210 nan 0.000 0.448 147 T N 4.899 119.358 114.554 -0.158 0.000 2.875 147 T HA 0.717 5.067 4.350 -0.000 0.000 0.284 147 T C -0.420 174.144 174.700 -0.226 0.000 0.995 147 T CA -0.733 61.238 62.100 -0.215 0.000 1.060 147 T CB 1.538 70.276 68.868 -0.216 0.000 0.967 147 T HN 0.323 nan 8.240 nan 0.000 0.476 148 L N 2.079 123.129 121.223 -0.290 0.000 2.333 148 L HA 0.742 5.082 4.340 -0.000 0.000 0.280 148 L C -0.078 176.637 176.870 -0.258 0.000 1.004 148 L CA -1.158 53.466 54.840 -0.360 0.000 0.820 148 L CB 1.608 43.331 42.059 -0.560 0.000 1.247 148 L HN 0.968 nan 8.230 nan 0.000 0.416 149 A N 2.228 124.968 122.820 -0.132 0.000 2.381 149 A HA 0.577 4.897 4.320 -0.000 0.000 0.299 149 A C -1.088 176.632 177.584 0.228 0.000 1.049 149 A CA -0.802 51.310 52.037 0.124 0.000 0.715 149 A CB 1.077 20.250 19.000 0.288 0.000 1.222 149 A HN 0.719 nan 8.150 nan 0.000 0.428 150 D N 1.853 122.451 120.400 0.330 0.000 2.389 150 D HA 0.164 4.804 4.640 -0.000 0.000 0.247 150 D C -0.402 176.079 176.300 0.303 0.000 1.128 150 D CA -0.062 54.086 54.000 0.246 0.000 0.884 150 D CB 0.956 41.863 40.800 0.179 0.000 1.194 150 D HN 0.601 nan 8.370 nan 0.000 0.441 151 W N 2.968 124.144 121.300 -0.207 0.000 2.839 151 W HA 0.371 5.031 4.660 -0.000 0.000 0.334 151 W C -1.904 174.406 176.519 -0.347 0.000 1.064 151 W CA -0.932 56.348 57.345 -0.108 0.000 1.236 151 W CB 1.573 31.026 29.460 -0.011 0.000 1.405 151 W HN 0.303 nan 8.180 nan 0.000 0.478 152 Y N 3.158 123.050 120.300 -0.680 0.000 2.393 152 Y HA 0.237 4.786 4.550 -0.000 0.000 0.341 152 Y C 1.277 176.921 175.900 -0.426 0.000 0.988 152 Y CA -0.586 57.235 58.100 -0.465 0.000 1.078 152 Y CB 1.571 39.845 38.460 -0.310 0.000 1.203 152 Y HN 0.456 nan 8.280 nan 0.000 0.453 153 H N 0.539 119.512 119.070 -0.161 0.000 2.502 153 H HA 0.151 4.707 4.556 -0.000 0.000 0.283 153 H C -0.327 175.008 175.328 0.012 0.000 1.015 153 H CA 0.182 56.182 56.048 -0.081 0.000 1.298 153 H CB 0.554 30.093 29.762 -0.373 0.000 1.411 153 H HN 0.186 nan 8.280 nan 0.000 0.556 154 V N 1.427 121.392 119.914 0.085 0.000 2.513 154 V HA 0.402 4.522 4.120 -0.000 0.000 0.299 154 V C 0.213 176.286 176.094 -0.036 0.000 1.035 154 V CA -0.881 61.440 62.300 0.036 0.000 0.889 154 V CB 1.437 33.270 31.823 0.018 0.000 0.988 154 V HN 0.299 nan 8.190 nan 0.000 0.440 155 A N 3.625 126.416 122.820 -0.049 0.000 2.448 155 A HA 0.521 4.841 4.320 -0.000 0.000 0.239 155 A C 1.666 179.190 177.584 -0.099 0.000 1.080 155 A CA 0.529 52.511 52.037 -0.090 0.000 0.779 155 A CB 0.145 19.107 19.000 -0.064 0.000 1.026 155 A HN 1.436 nan 8.150 nan 0.000 0.499 156 A N 0.845 123.599 122.820 -0.110 0.000 1.948 156 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 156 A C 1.822 179.386 177.584 -0.035 0.000 1.177 156 A CA 1.878 53.877 52.037 -0.063 0.000 0.636 156 A CB -0.276 18.677 19.000 -0.078 0.000 0.815 156 A HN 0.652 nan 8.150 nan 0.000 0.449 157 K N -0.849 119.524 120.400 -0.044 0.000 2.404 157 K HA 0.319 4.639 4.320 -0.000 0.000 0.194 157 K C 1.107 177.681 176.600 -0.043 0.000 1.023 157 K CA 0.306 56.571 56.287 -0.035 0.000 1.094 157 K CB 0.152 32.636 32.500 -0.027 0.000 0.841 157 K HN 0.564 nan 8.250 nan 0.000 0.523 158 L N -1.276 119.917 121.223 -0.051 0.000 2.642 158 L HA 0.194 4.534 4.340 -0.000 0.000 0.233 158 L C 1.354 178.194 176.870 -0.050 0.000 1.077 158 L CA -0.073 54.741 54.840 -0.043 0.000 0.879 158 L CB 0.291 42.331 42.059 -0.032 0.000 1.151 158 L HN -0.003 nan 8.230 nan 0.000 0.495 159 G N 0.236 108.992 108.800 -0.073 0.000 2.509 159 G HA2 0.392 4.351 3.960 -0.000 0.000 0.269 159 G HA3 0.392 4.351 3.960 -0.000 0.000 0.269 159 G C -2.421 172.409 174.900 -0.118 0.000 1.416 159 G CA -0.748 44.299 45.100 -0.089 0.000 1.052 159 G HN -0.095 nan 8.290 nan 0.000 0.542 160 P HA 0.174 nan 4.420 nan 0.000 0.269 160 P C 0.845 177.993 177.300 -0.254 0.000 1.215 160 P CA -0.329 62.680 63.100 -0.152 0.000 0.780 160 P CB 0.892 32.523 31.700 -0.115 0.000 0.898 161 R N 1.516 121.836 120.500 -0.300 0.000 2.091 161 R HA -0.069 4.271 4.340 -0.000 0.000 0.238 161 R C -0.051 175.803 176.300 -0.743 0.000 1.136 161 R CA 1.390 57.166 56.100 -0.540 0.000 0.959 161 R CB -0.207 29.668 30.300 -0.707 0.000 0.856 161 R HN 0.452 nan 8.270 nan 0.000 0.437 162 F N 1.282 121.169 119.950 -0.106 0.000 2.564 162 F HA 0.411 4.937 4.527 -0.000 0.000 0.368 162 F C -2.117 173.537 175.800 -0.243 0.000 1.127 162 F CA -2.636 55.271 58.000 -0.154 0.000 1.170 162 F CB 1.537 40.560 39.000 0.038 0.000 1.397 162 F HN -0.094 nan 8.300 nan 0.000 0.493 163 P HA -0.003 nan 4.420 nan 0.000 0.267 163 P C 0.049 177.388 177.300 0.065 0.000 1.200 163 P CA -0.251 62.749 63.100 -0.166 0.000 0.772 163 P CB 0.779 32.309 31.700 -0.284 0.000 0.855 164 K N 0.799 121.259 120.400 0.099 0.000 2.487 164 K HA 0.439 4.758 4.320 -0.000 0.000 0.192 164 K C 0.945 177.774 176.600 0.382 0.000 1.027 164 K CA -0.116 56.257 56.287 0.143 0.000 1.054 164 K CB -0.526 32.011 32.500 0.061 0.000 0.824 164 K HN 0.630 nan 8.250 nan 0.000 0.510 165 G N -1.012 108.010 108.800 0.370 0.000 2.356 165 G HA2 0.433 4.393 3.960 -0.000 0.000 0.300 165 G HA3 0.433 4.393 3.960 -0.000 0.000 0.300 165 G C -1.554 173.326 174.900 -0.032 0.000 1.331 165 G CA -0.616 44.578 45.100 0.158 0.000 0.905 165 G HN 0.274 nan 8.290 nan 0.000 0.587 166 A N -0.973 121.628 122.820 -0.364 0.000 2.242 166 A HA 0.730 5.050 4.320 -0.000 0.000 0.304 166 A C 0.746 178.034 177.584 -0.493 0.000 1.100 166 A CA 0.301 51.877 52.037 -0.767 0.000 0.860 166 A CB 0.662 19.087 19.000 -0.959 0.000 1.168 166 A HN 0.549 nan 8.150 nan 0.000 0.503 167 D N -0.622 119.436 120.400 -0.571 0.000 2.271 167 D HA 0.082 4.721 4.640 -0.000 0.000 0.206 167 D C 0.392 176.495 176.300 -0.328 0.000 0.967 167 D CA 1.579 55.262 54.000 -0.528 0.000 0.867 167 D CB 0.242 40.404 40.800 -1.062 0.000 0.960 167 D HN 0.578 nan 8.370 nan 0.000 0.509 168 S N -1.099 114.482 115.700 -0.199 0.000 2.596 168 S HA 0.459 4.929 4.470 -0.000 0.000 0.270 168 S C -0.730 173.875 174.600 0.008 0.000 1.155 168 S CA -0.825 57.352 58.200 -0.038 0.000 0.827 168 S CB 2.364 65.619 63.200 0.092 0.000 1.130 168 S HN -0.185 nan 8.310 nan 0.000 0.467 169 T N 2.239 116.808 114.554 0.025 0.000 2.771 169 T HA 0.562 4.912 4.350 -0.000 0.000 0.281 169 T C -0.553 174.153 174.700 0.010 0.000 0.982 169 T CA -0.533 61.588 62.100 0.034 0.000 0.978 169 T CB 0.381 69.262 68.868 0.022 0.000 0.930 169 T HN 0.530 nan 8.240 nan 0.000 0.447 170 L N 4.271 125.503 121.223 0.014 0.000 2.296 170 L HA 0.594 4.934 4.340 -0.000 0.000 0.286 170 L C -0.348 176.483 176.870 -0.065 0.000 1.023 170 L CA -0.813 54.026 54.840 -0.002 0.000 0.812 170 L CB 1.162 43.249 42.059 0.047 0.000 1.223 170 L HN 0.495 nan 8.230 nan 0.000 0.421 171 I N 3.983 124.518 120.570 -0.058 0.000 2.362 171 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 171 I C -0.104 175.976 176.117 -0.062 0.000 0.994 171 I CA -0.593 60.666 61.300 -0.069 0.000 1.158 171 I CB 1.292 39.274 38.000 -0.030 0.000 1.315 171 I HN 0.651 nan 8.210 nan 0.000 0.451 172 N N 5.210 123.857 118.700 -0.089 0.000 2.716 172 N HA -0.213 4.527 4.740 -0.000 0.000 0.250 172 N C 0.922 176.381 175.510 -0.086 0.000 1.033 172 N CA 1.390 54.387 53.050 -0.088 0.000 0.727 172 N CB -0.969 37.485 38.487 -0.055 0.000 0.950 172 N HN 1.157 nan 8.380 nan 0.000 0.541 173 G N -2.173 106.567 108.800 -0.100 0.000 2.179 173 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 173 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 173 G C -0.118 174.762 174.900 -0.035 0.000 0.977 173 G CA 0.578 45.635 45.100 -0.071 0.000 0.641 173 G HN 0.454 nan 8.290 nan 0.000 0.533 174 L N -0.740 120.465 121.223 -0.030 0.000 2.388 174 L HA 0.851 5.191 4.340 -0.000 0.000 0.264 174 L C 0.520 177.390 176.870 -0.000 0.000 0.998 174 L CA -0.392 54.439 54.840 -0.016 0.000 0.817 174 L CB 2.330 44.387 42.059 -0.003 0.000 1.338 174 L HN 0.589 nan 8.230 nan 0.000 0.414 175 G N 1.244 110.054 108.800 0.015 0.000 2.342 175 G HA2 0.439 4.399 3.960 -0.000 0.000 0.297 175 G HA3 0.439 4.399 3.960 -0.000 0.000 0.297 175 G C -2.012 172.919 174.900 0.051 0.000 1.313 175 G CA -0.897 44.223 45.100 0.033 0.000 0.830 175 G HN 0.406 nan 8.290 nan 0.000 0.506 176 R N -0.303 120.227 120.500 0.049 0.000 2.664 176 R HA 0.730 5.070 4.340 -0.000 0.000 0.286 176 R C 0.256 176.586 176.300 0.051 0.000 0.967 176 R CA -0.469 55.666 56.100 0.057 0.000 0.933 176 R CB 1.959 32.283 30.300 0.041 0.000 1.146 176 R HN 0.762 nan 8.270 nan 0.000 0.468 177 S N -0.826 114.920 115.700 0.078 0.000 2.747 177 S HA 0.140 4.610 4.470 -0.000 0.000 0.300 177 S C 1.255 175.865 174.600 0.016 0.000 1.121 177 S CA -0.331 57.893 58.200 0.040 0.000 0.995 177 S CB 1.543 64.811 63.200 0.114 0.000 1.113 177 S HN 0.716 nan 8.310 nan 0.000 0.547 178 T N -1.207 113.334 114.554 -0.022 0.000 2.929 178 T HA -0.097 4.252 4.350 -0.000 0.000 0.271 178 T C 1.660 176.363 174.700 0.005 0.000 1.085 178 T CA 1.412 63.499 62.100 -0.022 0.000 1.125 178 T CB -0.967 67.875 68.868 -0.044 0.000 0.874 178 T HN 0.876 nan 8.240 nan 0.000 0.494 179 S N 1.149 116.867 115.700 0.029 0.000 2.575 179 S HA 0.118 4.588 4.470 -0.000 0.000 0.215 179 S C 1.084 175.725 174.600 0.069 0.000 0.966 179 S CA 0.097 58.324 58.200 0.045 0.000 0.911 179 S CB -0.412 62.813 63.200 0.042 0.000 0.780 179 S HN 0.693 nan 8.310 nan 0.000 0.514 180 T N -0.577 114.024 114.554 0.078 0.000 3.585 180 T HA 0.432 4.782 4.350 -0.000 0.000 0.252 180 T C -2.111 172.627 174.700 0.064 0.000 1.382 180 T CA -1.259 60.892 62.100 0.085 0.000 1.584 180 T CB 1.125 70.066 68.868 0.122 0.000 0.892 180 T HN 0.049 nan 8.240 nan 0.000 0.671 181 P HA -0.036 nan 4.420 nan 0.000 0.230 181 P C 1.117 178.445 177.300 0.048 0.000 1.158 181 P CA 0.883 64.006 63.100 0.038 0.000 0.769 181 P CB -0.161 31.556 31.700 0.028 0.000 0.807 182 T N -4.615 109.970 114.554 0.051 0.000 3.129 182 T HA 0.533 4.883 4.350 -0.000 0.000 0.267 182 T C 0.820 175.552 174.700 0.053 0.000 1.018 182 T CA -0.398 61.733 62.100 0.052 0.000 0.903 182 T CB -0.305 68.589 68.868 0.043 0.000 1.067 182 T HN 0.056 nan 8.240 nan 0.000 0.549 183 A N 1.779 124.634 122.820 0.058 0.000 2.520 183 A HA 0.350 4.670 4.320 -0.000 0.000 0.235 183 A C 0.113 177.729 177.584 0.053 0.000 1.065 183 A CA -0.311 51.760 52.037 0.057 0.000 0.764 183 A CB -0.118 18.923 19.000 0.068 0.000 1.002 183 A HN 0.461 nan 8.150 nan 0.000 0.502 184 D N 0.749 121.174 120.400 0.043 0.000 2.455 184 D HA 0.292 4.931 4.640 -0.000 0.000 0.241 184 D C 0.063 176.389 176.300 0.044 0.000 1.138 184 D CA 0.737 54.760 54.000 0.038 0.000 0.877 184 D CB 0.417 41.233 40.800 0.025 0.000 1.187 184 D HN 0.382 nan 8.370 nan 0.000 0.451 185 L N 1.262 122.517 121.223 0.054 0.000 2.360 185 L HA 0.498 4.838 4.340 -0.000 0.000 0.271 185 L C 0.782 177.675 176.870 0.039 0.000 1.057 185 L CA -1.098 53.781 54.840 0.064 0.000 0.803 185 L CB 1.180 43.308 42.059 0.116 0.000 1.207 185 L HN 0.336 nan 8.230 nan 0.000 0.445 186 A N 2.176 125.014 122.820 0.030 0.000 2.445 186 A HA 0.508 4.828 4.320 -0.000 0.000 0.242 186 A C -0.381 177.207 177.584 0.007 0.000 1.075 186 A CA -0.202 51.841 52.037 0.010 0.000 0.777 186 A CB 0.432 19.431 19.000 -0.002 0.000 1.013 186 A HN 0.408 nan 8.150 nan 0.000 0.493 187 V N 3.379 123.289 119.914 -0.006 0.000 2.540 187 V HA 0.392 4.512 4.120 -0.000 0.000 0.302 187 V C -0.298 175.781 176.094 -0.025 0.000 1.035 187 V CA -0.203 62.086 62.300 -0.018 0.000 0.873 187 V CB 1.533 33.346 31.823 -0.017 0.000 0.992 187 V HN 0.726 nan 8.190 nan 0.000 0.428 188 I N 3.275 123.817 120.570 -0.047 0.000 2.382 188 I HA 0.377 4.547 4.170 -0.000 0.000 0.286 188 I C 0.156 176.229 176.117 -0.072 0.000 1.002 188 I CA -0.067 61.200 61.300 -0.055 0.000 1.135 188 I CB 1.926 39.855 38.000 -0.119 0.000 1.288 188 I HN 0.528 nan 8.210 nan 0.000 0.448 189 S N 5.745 121.412 115.700 -0.055 0.000 2.525 189 S HA 0.616 5.086 4.470 -0.000 0.000 0.278 189 S C -0.221 174.265 174.600 -0.191 0.000 1.234 189 S CA -0.640 57.511 58.200 -0.082 0.000 1.058 189 S CB 1.581 64.764 63.200 -0.029 0.000 0.983 189 S HN 0.468 nan 8.310 nan 0.000 0.495 190 V N 0.686 120.433 119.914 -0.279 0.000 3.078 190 V HA 0.768 4.888 4.120 -0.000 0.000 0.311 190 V C -0.452 175.500 176.094 -0.237 0.000 1.138 190 V CA -0.843 61.188 62.300 -0.448 0.000 1.007 190 V CB 1.804 33.159 31.823 -0.781 0.000 1.045 190 V HN 0.659 nan 8.190 nan 0.000 0.432 191 T N 2.310 116.866 114.554 0.004 0.000 2.794 191 T HA 0.413 4.763 4.350 -0.000 0.000 0.280 191 T C -0.165 174.564 174.700 0.049 0.000 0.987 191 T CA -0.435 61.693 62.100 0.046 0.000 0.993 191 T CB 1.200 70.133 68.868 0.108 0.000 0.939 191 T HN 0.963 nan 8.240 nan 0.000 0.449 192 K N 1.640 122.116 120.400 0.127 0.000 2.484 192 K HA 0.262 4.582 4.320 -0.000 0.000 0.280 192 K C 1.355 178.053 176.600 0.163 0.000 1.013 192 K CA 1.288 57.725 56.287 0.250 0.000 1.029 192 K CB -0.265 32.456 32.500 0.368 0.000 0.902 192 K HN 0.896 nan 8.250 nan 0.000 0.481 193 G N 2.941 111.838 108.800 0.162 0.000 2.217 193 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.246 193 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.246 193 G C -0.198 174.744 174.900 0.070 0.000 0.990 193 G CA 0.214 45.377 45.100 0.105 0.000 0.627 193 G HN 0.583 nan 8.290 nan 0.000 0.522 194 K N 0.162 120.611 120.400 0.081 0.000 2.087 194 K HA 0.680 4.999 4.320 -0.000 0.000 0.255 194 K C 0.241 176.828 176.600 -0.023 0.000 0.988 194 K CA -0.620 55.645 56.287 -0.037 0.000 0.915 194 K CB 0.984 33.394 32.500 -0.150 0.000 1.043 194 K HN 0.189 nan 8.250 nan 0.000 0.457 195 R N 1.443 121.816 120.500 -0.211 0.000 2.494 195 R HA 0.341 4.681 4.340 -0.000 0.000 0.305 195 R C -1.278 174.800 176.300 -0.370 0.000 0.959 195 R CA -0.647 55.401 56.100 -0.087 0.000 0.864 195 R CB 0.989 31.292 30.300 0.004 0.000 1.159 195 R HN 0.460 nan 8.270 nan 0.000 0.446 196 Y N 0.748 120.951 120.300 -0.163 0.000 2.409 196 Y HA 0.358 4.908 4.550 -0.000 0.000 0.343 196 Y C 0.229 175.763 175.900 -0.610 0.000 0.973 196 Y CA -0.954 56.849 58.100 -0.496 0.000 1.064 196 Y CB 1.782 39.645 38.460 -0.996 0.000 1.207 196 Y HN 0.298 nan 8.280 nan 0.000 0.452 197 R N 4.183 124.281 120.500 -0.669 0.000 2.296 197 R HA 0.336 4.676 4.340 -0.000 0.000 0.327 197 R C -1.524 174.355 176.300 -0.702 0.000 1.137 197 R CA -0.220 55.399 56.100 -0.802 0.000 1.020 197 R CB -0.257 29.258 30.300 -1.309 0.000 1.110 197 R HN 0.589 nan 8.270 nan 0.000 0.499 198 F N 3.177 122.765 119.950 -0.603 0.000 2.427 198 F HA 0.302 4.829 4.527 -0.000 0.000 0.352 198 F C 0.883 176.269 175.800 -0.690 0.000 1.100 198 F CA -0.342 57.229 58.000 -0.715 0.000 1.191 198 F CB 1.068 39.399 39.000 -1.114 0.000 1.128 198 F HN 0.236 nan 8.300 nan 0.000 0.533 199 R N 3.936 124.309 120.500 -0.211 0.000 2.272 199 R HA 0.369 4.709 4.340 -0.000 0.000 0.323 199 R C -1.326 174.871 176.300 -0.170 0.000 1.002 199 R CA -0.946 55.038 56.100 -0.193 0.000 0.900 199 R CB 1.201 31.413 30.300 -0.148 0.000 1.151 199 R HN 0.439 nan 8.270 nan 0.000 0.507 200 L N 4.214 125.334 121.223 -0.172 0.000 2.265 200 L HA 0.342 4.682 4.340 -0.000 0.000 0.288 200 L C -0.894 175.838 176.870 -0.230 0.000 1.058 200 L CA -0.313 54.401 54.840 -0.210 0.000 0.809 200 L CB 1.589 43.531 42.059 -0.194 0.000 1.179 200 L HN 0.275 nan 8.230 nan 0.000 0.429 201 V N 4.279 124.022 119.914 -0.285 0.000 2.407 201 V HA 0.365 4.485 4.120 -0.000 0.000 0.291 201 V C 0.078 175.885 176.094 -0.478 0.000 1.018 201 V CA -0.596 61.475 62.300 -0.383 0.000 0.842 201 V CB 1.474 33.099 31.823 -0.330 0.000 0.996 201 V HN 0.814 nan 8.190 nan 0.000 0.426 202 S N 5.382 120.746 115.700 -0.561 0.000 2.422 202 S HA 0.393 4.862 4.470 -0.000 0.000 0.283 202 S C 0.575 174.563 174.600 -1.021 0.000 1.163 202 S CA -0.513 57.353 58.200 -0.558 0.000 1.054 202 S CB 0.116 63.094 63.200 -0.370 0.000 0.967 202 S HN 0.621 nan 8.310 nan 0.000 0.499 203 L N 4.222 124.974 121.223 -0.785 0.000 2.688 203 L HA 0.244 4.584 4.340 -0.000 0.000 0.234 203 L C 1.196 177.896 176.870 -0.284 0.000 1.192 203 L CA -0.308 54.000 54.840 -0.887 0.000 0.984 203 L CB -0.282 41.555 42.059 -0.370 0.000 1.232 203 L HN 0.557 nan 8.230 nan 0.000 0.465 204 S N -0.628 114.976 115.700 -0.161 0.000 2.562 204 S HA 0.022 4.492 4.470 -0.000 0.000 0.281 204 S C 1.299 176.112 174.600 0.354 0.000 1.333 204 S CA -0.751 57.551 58.200 0.170 0.000 1.052 204 S CB 0.865 64.168 63.200 0.172 0.000 0.884 204 S HN 0.433 nan 8.310 nan 0.000 0.506 205 c N 3.195 122.019 118.600 0.373 0.000 2.514 205 c HA 0.224 4.794 4.570 -0.000 0.000 0.271 205 c C 1.551 175.710 174.090 0.116 0.000 1.399 205 c CA 0.106 56.515 56.329 0.132 0.000 1.765 205 c CB -1.231 41.183 42.510 -0.159 0.000 1.893 205 c HN 0.986 nan 8.230 nan 0.000 0.531 206 D N -0.838 119.696 120.400 0.223 0.000 2.334 206 D HA 0.072 4.712 4.640 -0.000 0.000 0.095 206 D C -2.459 173.912 176.300 0.119 0.000 1.492 206 D CA 0.342 54.477 54.000 0.225 0.000 1.287 206 D CB -0.878 40.202 40.800 0.465 0.000 2.525 206 D HN 0.093 nan 8.370 nan 0.000 0.221 207 P HA 0.189 nan 4.420 nan 0.000 0.272 207 P C -0.585 176.480 177.300 -0.392 0.000 1.230 207 P CA -0.018 62.885 63.100 -0.328 0.000 0.788 207 P CB 0.347 31.575 31.700 -0.787 0.000 0.949 208 N N 0.348 118.816 118.700 -0.385 0.000 2.508 208 N HA 0.285 5.025 4.740 -0.000 0.000 0.285 208 N C -1.310 173.798 175.510 -0.670 0.000 1.144 208 N CA -0.411 52.349 53.050 -0.484 0.000 0.978 208 N CB 0.300 38.382 38.487 -0.675 0.000 1.180 208 N HN 0.287 nan 8.380 nan 0.000 0.484 209 Y N -0.801 119.356 120.300 -0.238 0.000 2.429 209 Y HA 0.406 4.956 4.550 -0.000 0.000 0.342 209 Y C -0.137 175.690 175.900 -0.122 0.000 1.004 209 Y CA -0.884 57.132 58.100 -0.139 0.000 1.075 209 Y CB 2.329 40.751 38.460 -0.064 0.000 1.214 209 Y HN 0.473 nan 8.280 nan 0.000 0.455 210 T N 4.733 119.337 114.554 0.083 0.000 2.753 210 T HA 0.298 4.647 4.350 -0.000 0.000 0.297 210 T C -1.197 173.576 174.700 0.121 0.000 0.981 210 T CA -0.347 61.784 62.100 0.052 0.000 0.956 210 T CB -0.313 68.558 68.868 0.005 0.000 0.936 210 T HN 0.387 nan 8.240 nan 0.000 0.463 211 F N 4.007 123.924 119.950 -0.054 0.000 2.436 211 F HA 0.646 5.173 4.527 -0.000 0.000 0.340 211 F C 0.223 175.931 175.800 -0.154 0.000 1.113 211 F CA -0.302 57.645 58.000 -0.088 0.000 1.022 211 F CB 0.990 39.922 39.000 -0.113 0.000 1.128 211 F HN 0.587 nan 8.300 nan 0.000 0.466 212 S N 5.651 120.841 115.700 -0.850 0.000 2.596 212 S HA 0.751 5.221 4.470 -0.000 0.000 0.270 212 S C -1.366 172.799 174.600 -0.725 0.000 1.155 212 S CA -0.930 56.902 58.200 -0.613 0.000 0.827 212 S CB 1.679 64.693 63.200 -0.310 0.000 1.130 212 S HN 0.579 nan 8.310 nan 0.000 0.467 213 I N 1.565 121.882 120.570 -0.422 0.000 2.468 213 I HA 0.312 4.481 4.170 -0.000 0.000 0.285 213 I C -1.221 174.852 176.117 -0.074 0.000 1.039 213 I CA -0.680 60.453 61.300 -0.279 0.000 1.074 213 I CB 1.835 39.678 38.000 -0.261 0.000 1.228 213 I HN 0.595 nan 8.210 nan 0.000 0.436 214 D N 4.205 124.613 120.400 0.014 0.000 2.533 214 D HA 0.025 4.665 4.640 -0.000 0.000 0.236 214 D C 0.903 177.326 176.300 0.205 0.000 1.137 214 D CA 0.957 55.025 54.000 0.112 0.000 0.867 214 D CB 0.687 41.610 40.800 0.204 0.000 1.170 214 D HN 0.628 nan 8.370 nan 0.000 0.474 215 S N 0.003 115.749 115.700 0.076 0.000 3.127 215 S HA -0.226 4.244 4.470 -0.000 0.000 0.281 215 S C -0.116 174.312 174.600 -0.287 0.000 1.293 215 S CA 0.939 59.098 58.200 -0.068 0.000 1.156 215 S CB -1.449 61.727 63.200 -0.039 0.000 1.389 215 S HN 0.605 nan 8.310 nan 0.000 0.672 216 H N 0.414 119.406 119.070 -0.130 0.000 2.622 216 H HA 0.653 5.209 4.556 -0.000 0.000 0.363 216 H C 0.157 175.441 175.328 -0.073 0.000 1.151 216 H CA -0.470 55.518 56.048 -0.100 0.000 1.184 216 H CB 0.819 30.524 29.762 -0.094 0.000 1.643 216 H HN 0.207 nan 8.280 nan 0.000 0.531 217 Q N 1.432 121.274 119.800 0.070 0.000 2.215 217 Q HA 0.547 4.886 4.340 -0.000 0.000 0.256 217 Q C -0.858 175.180 176.000 0.063 0.000 0.972 217 Q CA -0.939 54.882 55.803 0.029 0.000 0.889 217 Q CB 2.272 31.020 28.738 0.016 0.000 1.281 217 Q HN 0.428 nan 8.270 nan 0.000 0.456 218 L N 1.094 122.311 121.223 -0.009 0.000 2.343 218 L HA 0.427 4.767 4.340 -0.000 0.000 0.278 218 L C -0.562 176.347 176.870 0.065 0.000 0.996 218 L CA -0.633 54.197 54.840 -0.017 0.000 0.831 218 L CB 1.862 43.676 42.059 -0.408 0.000 1.232 218 L HN 0.490 nan 8.230 nan 0.000 0.413 219 T N 2.676 117.342 114.554 0.186 0.000 2.832 219 T HA 0.295 4.645 4.350 -0.000 0.000 0.313 219 T C 0.221 175.007 174.700 0.143 0.000 1.035 219 T CA -0.325 61.849 62.100 0.123 0.000 0.950 219 T CB 1.011 69.941 68.868 0.102 0.000 0.984 219 T HN 0.180 nan 8.240 nan 0.000 0.486 220 V N 5.923 125.898 119.914 0.101 0.000 2.521 220 V HA 0.206 4.326 4.120 -0.000 0.000 0.286 220 V C 1.273 177.417 176.094 0.083 0.000 1.034 220 V CA 0.220 62.592 62.300 0.119 0.000 1.045 220 V CB 0.332 32.185 31.823 0.050 0.000 0.974 220 V HN 0.908 nan 8.190 nan 0.000 0.480 221 I N 0.740 121.354 120.570 0.073 0.000 4.442 221 I HA 0.583 4.753 4.170 -0.000 0.000 0.331 221 I C 0.345 176.551 176.117 0.147 0.000 1.364 221 I CA 0.106 61.400 61.300 -0.011 0.000 1.207 221 I CB 0.576 38.368 38.000 -0.346 0.000 1.298 221 I HN 0.608 nan 8.210 nan 0.000 0.463 222 E N 1.915 122.203 120.200 0.147 0.000 2.363 222 E HA 0.719 5.069 4.350 -0.000 0.000 0.281 222 E C -1.923 174.721 176.600 0.074 0.000 0.953 222 E CA -0.753 55.709 56.400 0.102 0.000 0.778 222 E CB 2.769 32.489 29.700 0.035 0.000 1.220 222 E HN 0.272 nan 8.360 nan 0.000 0.431 223 A N 3.374 126.174 122.820 -0.034 0.000 2.359 223 A HA 0.527 4.847 4.320 -0.000 0.000 0.303 223 A C -0.772 176.632 177.584 -0.301 0.000 1.066 223 A CA -0.402 51.483 52.037 -0.252 0.000 0.730 223 A CB 0.867 19.790 19.000 -0.128 0.000 1.211 223 A HN 0.739 nan 8.150 nan 0.000 0.439 224 D N 1.656 121.790 120.400 -0.443 0.000 2.701 224 D HA -0.170 4.470 4.640 -0.000 0.000 0.235 224 D C 1.247 177.297 176.300 -0.416 0.000 1.155 224 D CA 3.045 56.810 54.000 -0.392 0.000 0.649 224 D CB -1.200 39.440 40.800 -0.267 0.000 1.050 224 D HN 2.035 nan 8.370 nan 0.000 0.425 225 G N -2.801 105.662 108.800 -0.562 0.000 2.217 225 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.246 225 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.246 225 G C 0.320 175.111 174.900 -0.182 0.000 0.990 225 G CA 0.106 44.826 45.100 -0.633 0.000 0.627 225 G HN 0.684 nan 8.290 nan 0.000 0.522 226 V N 2.081 121.934 119.914 -0.101 0.000 2.398 226 V HA 0.620 4.739 4.120 -0.000 0.000 0.286 226 V C 0.760 176.876 176.094 0.037 0.000 1.026 226 V CA -0.254 62.051 62.300 0.008 0.000 0.868 226 V CB 1.615 33.474 31.823 0.059 0.000 0.982 226 V HN 0.352 nan 8.190 nan 0.000 0.443 227 S N 3.667 119.404 115.700 0.061 0.000 2.562 227 S HA 0.392 4.862 4.470 -0.000 0.000 0.281 227 S C 0.488 175.185 174.600 0.160 0.000 1.333 227 S CA -0.301 57.974 58.200 0.124 0.000 1.052 227 S CB 0.694 63.916 63.200 0.037 0.000 0.884 227 S HN 1.000 nan 8.310 nan 0.000 0.506 228 T N 0.724 115.435 114.554 0.262 0.000 2.930 228 T HA 0.478 4.828 4.350 -0.000 0.000 0.290 228 T C -0.650 174.234 174.700 0.306 0.000 1.052 228 T CA -1.135 61.106 62.100 0.236 0.000 1.017 228 T CB 0.727 69.707 68.868 0.186 0.000 1.137 228 T HN 0.529 nan 8.240 nan 0.000 0.511 229 Q N 1.548 121.494 119.800 0.243 0.000 2.330 229 Q HA 0.232 4.572 4.340 -0.000 0.000 0.279 229 Q C -2.325 173.783 176.000 0.180 0.000 1.024 229 Q CA -1.420 54.519 55.803 0.228 0.000 0.900 229 Q CB -0.043 28.820 28.738 0.208 0.000 1.221 229 Q HN 0.423 nan 8.270 nan 0.000 0.396 230 P HA -0.023 nan 4.420 nan 0.000 0.264 230 P C -1.120 176.228 177.300 0.079 0.000 1.193 230 P CA 0.266 63.407 63.100 0.067 0.000 0.763 230 P CB 0.577 32.298 31.700 0.035 0.000 0.810 231 V N 3.958 123.910 119.914 0.064 0.000 2.623 231 V HA 0.270 4.390 4.120 -0.000 0.000 0.304 231 V C -0.112 176.002 176.094 0.033 0.000 1.054 231 V CA -0.362 61.970 62.300 0.053 0.000 0.882 231 V CB 2.394 34.248 31.823 0.052 0.000 1.002 231 V HN 0.416 nan 8.190 nan 0.000 0.424 232 T N 5.198 119.769 114.554 0.030 0.000 2.767 232 T HA 0.648 4.997 4.350 -0.000 0.000 0.288 232 T C -0.198 174.500 174.700 -0.003 0.000 0.963 232 T CA -0.273 61.839 62.100 0.021 0.000 1.019 232 T CB 1.212 70.098 68.868 0.029 0.000 0.923 232 T HN 0.770 nan 8.240 nan 0.000 0.468 233 V N 0.575 120.472 119.914 -0.028 0.000 3.167 233 V HA 0.621 4.741 4.120 -0.000 0.000 0.310 233 V C -0.290 175.762 176.094 -0.070 0.000 1.207 233 V CA -0.835 61.434 62.300 -0.052 0.000 1.059 233 V CB 2.358 34.133 31.823 -0.081 0.000 1.079 233 V HN 0.613 nan 8.190 nan 0.000 0.446 234 D N 0.784 121.140 120.400 -0.073 0.000 2.338 234 D HA 0.187 4.826 4.640 -0.000 0.000 0.208 234 D C 0.767 176.995 176.300 -0.120 0.000 0.997 234 D CA 1.424 55.372 54.000 -0.086 0.000 0.880 234 D CB 0.962 41.723 40.800 -0.064 0.000 0.980 234 D HN 0.855 nan 8.370 nan 0.000 0.509 235 S N -0.248 115.384 115.700 -0.112 0.000 2.579 235 S HA 0.682 5.151 4.470 -0.000 0.000 0.272 235 S C -0.867 173.663 174.600 -0.117 0.000 1.141 235 S CA -0.872 57.261 58.200 -0.112 0.000 0.843 235 S CB 2.215 65.365 63.200 -0.084 0.000 1.122 235 S HN -0.008 nan 8.310 nan 0.000 0.468 236 I N 1.115 121.629 120.570 -0.093 0.000 2.533 236 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 236 I C -0.589 175.478 176.117 -0.082 0.000 1.056 236 I CA -0.437 60.765 61.300 -0.163 0.000 1.057 236 I CB 2.267 40.096 38.000 -0.285 0.000 1.240 236 I HN 0.742 nan 8.210 nan 0.000 0.423 237 Q N 6.809 126.551 119.800 -0.097 0.000 2.340 237 Q HA 0.551 4.890 4.340 -0.000 0.000 0.259 237 Q C -1.403 174.513 176.000 -0.139 0.000 0.964 237 Q CA -0.451 55.267 55.803 -0.142 0.000 0.900 237 Q CB 1.817 30.454 28.738 -0.169 0.000 1.228 237 Q HN 0.662 nan 8.270 nan 0.000 0.449 238 I N 4.588 125.072 120.570 -0.143 0.000 2.389 238 I HA 0.385 4.555 4.170 -0.000 0.000 0.288 238 I C -1.278 174.735 176.117 -0.174 0.000 0.999 238 I CA -0.799 60.514 61.300 0.021 0.000 1.129 238 I CB 0.647 38.717 38.000 0.116 0.000 1.288 238 I HN 0.618 nan 8.210 nan 0.000 0.444 239 F N 5.512 125.487 119.950 0.042 0.000 2.368 239 F HA 0.533 5.059 4.527 -0.000 0.000 0.315 239 F C 1.136 176.894 175.800 -0.070 0.000 1.145 239 F CA -0.345 57.651 58.000 -0.006 0.000 1.095 239 F CB 0.744 39.750 39.000 0.009 0.000 1.286 239 F HN 0.483 nan 8.300 nan 0.000 0.530 240 A N 1.369 124.263 122.820 0.123 0.000 2.566 240 A HA 0.349 4.669 4.320 -0.000 0.000 0.245 240 A C 0.938 178.398 177.584 -0.206 0.000 1.056 240 A CA 0.444 52.469 52.037 -0.020 0.000 0.757 240 A CB -1.083 17.973 19.000 0.092 0.000 0.979 240 A HN 1.857 nan 8.150 nan 0.000 0.508 241 A N 1.541 124.084 122.820 -0.462 0.000 3.383 241 A HA -0.192 4.128 4.320 -0.000 0.000 0.264 241 A C 0.617 177.892 177.584 -0.516 0.000 1.154 241 A CA 1.587 53.240 52.037 -0.640 0.000 1.179 241 A CB -2.444 15.987 19.000 -0.948 0.000 1.133 241 A HN 0.964 nan 8.150 nan 0.000 0.933 242 Q N -1.046 118.547 119.800 -0.344 0.000 2.443 242 Q HA 0.595 4.935 4.340 -0.000 0.000 0.232 242 Q C 0.036 175.779 176.000 -0.428 0.000 1.026 242 Q CA 0.020 55.632 55.803 -0.319 0.000 0.924 242 Q CB 0.352 28.980 28.738 -0.184 0.000 1.256 242 Q HN 0.521 nan 8.270 nan 0.000 0.519 243 R N 0.235 120.436 120.500 -0.499 0.000 2.698 243 R HA 0.511 4.851 4.340 -0.000 0.000 0.275 243 R C -1.703 174.241 176.300 -0.594 0.000 1.001 243 R CA -0.521 55.305 56.100 -0.456 0.000 0.896 243 R CB 1.258 31.306 30.300 -0.421 0.000 1.218 243 R HN 0.471 nan 8.270 nan 0.000 0.462 244 Y N -0.618 119.586 120.300 -0.160 0.000 2.512 244 Y HA 0.533 5.083 4.550 -0.000 0.000 0.348 244 Y C -0.168 175.678 175.900 -0.090 0.000 0.990 244 Y CA -0.669 57.380 58.100 -0.084 0.000 1.033 244 Y CB 2.777 41.233 38.460 -0.007 0.000 1.259 244 Y HN 0.462 nan 8.280 nan 0.000 0.461 245 S N 3.417 119.170 115.700 0.089 0.000 2.489 245 S HA 0.714 5.183 4.470 -0.000 0.000 0.291 245 S C -1.208 173.456 174.600 0.106 0.000 1.151 245 S CA -0.631 57.556 58.200 -0.021 0.000 1.082 245 S CB 0.218 63.363 63.200 -0.093 0.000 1.019 245 S HN 0.454 nan 8.310 nan 0.000 0.492 246 F N -0.011 119.951 119.950 0.020 0.000 2.588 246 F HA 0.787 5.314 4.527 -0.000 0.000 0.310 246 F C -0.969 174.864 175.800 0.055 0.000 1.082 246 F CA -1.361 56.660 58.000 0.034 0.000 0.929 246 F CB 0.470 39.499 39.000 0.048 0.000 1.254 246 F HN 0.197 nan 8.300 nan 0.000 0.455 247 V N 4.007 124.046 119.914 0.207 0.000 2.498 247 V HA 0.365 4.485 4.120 -0.000 0.000 0.279 247 V C -0.288 176.029 176.094 0.372 0.000 1.048 247 V CA -0.551 61.844 62.300 0.158 0.000 0.967 247 V CB 1.333 33.237 31.823 0.135 0.000 0.988 247 V HN 0.849 nan 8.190 nan 0.000 0.473 248 L N 4.940 126.396 121.223 0.389 0.000 2.333 248 L HA 0.607 4.947 4.340 -0.000 0.000 0.280 248 L C -0.214 176.869 176.870 0.354 0.000 1.004 248 L CA -0.404 54.715 54.840 0.466 0.000 0.820 248 L CB 1.537 44.000 42.059 0.673 0.000 1.247 248 L HN 0.658 nan 8.230 nan 0.000 0.416 249 N N 4.271 123.146 118.700 0.291 0.000 2.439 249 N HA 0.334 5.074 4.740 -0.000 0.000 0.249 249 N C -0.320 175.363 175.510 0.290 0.000 1.003 249 N CA -0.265 52.928 53.050 0.238 0.000 0.942 249 N CB 1.738 40.320 38.487 0.158 0.000 1.115 249 N HN 0.677 nan 8.380 nan 0.000 0.505 250 A N 3.956 126.944 122.820 0.280 0.000 3.026 250 A HA 0.056 4.376 4.320 -0.000 0.000 0.272 250 A C 0.647 178.434 177.584 0.338 0.000 1.782 250 A CA -0.487 51.709 52.037 0.264 0.000 1.451 250 A CB -0.995 17.976 19.000 -0.049 0.000 1.081 250 A HN 0.781 nan 8.150 nan 0.000 0.611 251 N N 0.039 118.898 118.700 0.265 0.000 2.214 251 N HA 0.037 4.776 4.740 -0.000 0.000 0.214 251 N C 0.019 175.560 175.510 0.052 0.000 1.132 251 N CA -0.086 53.048 53.050 0.141 0.000 0.856 251 N CB 0.232 38.761 38.487 0.069 0.000 1.020 251 N HN 0.459 nan 8.380 nan 0.000 0.509 252 Q N 0.330 120.154 119.800 0.040 0.000 2.293 252 Q HA 0.279 4.618 4.340 -0.000 0.000 0.216 252 Q C -0.559 175.347 176.000 -0.158 0.000 1.003 252 Q CA -0.427 55.276 55.803 -0.166 0.000 0.995 252 Q CB 0.584 29.021 28.738 -0.501 0.000 1.172 252 Q HN 0.192 nan 8.270 nan 0.000 0.518 253 D N 0.327 120.652 120.400 -0.126 0.000 2.423 253 D HA 0.053 4.692 4.640 -0.000 0.000 0.238 253 D C -0.264 175.830 176.300 -0.343 0.000 1.142 253 D CA -0.017 53.901 54.000 -0.136 0.000 0.884 253 D CB 0.638 41.397 40.800 -0.069 0.000 1.199 253 D HN 0.060 nan 8.370 nan 0.000 0.438 254 V N 3.130 122.895 119.914 -0.248 0.000 2.458 254 V HA 0.074 4.194 4.120 -0.000 0.000 0.287 254 V C 0.555 176.523 176.094 -0.211 0.000 1.009 254 V CA 0.977 63.135 62.300 -0.236 0.000 1.091 254 V CB 0.280 32.104 31.823 0.002 0.000 0.960 254 V HN 0.564 nan 8.190 nan 0.000 0.476 255 D N 3.228 123.494 120.400 -0.223 0.000 2.827 255 D HA 0.193 4.833 4.640 -0.000 0.000 0.336 255 D C -1.378 174.801 176.300 -0.202 0.000 1.374 255 D CA -0.645 53.192 54.000 -0.272 0.000 0.794 255 D CB 1.363 41.844 40.800 -0.531 0.000 1.364 255 D HN 0.402 nan 8.370 nan 0.000 0.464 256 N N 0.484 118.938 118.700 -0.410 0.000 2.399 256 N HA 0.419 5.159 4.740 -0.000 0.000 0.295 256 N C -1.126 173.991 175.510 -0.656 0.000 1.048 256 N CA -0.118 52.723 53.050 -0.348 0.000 0.886 256 N CB 1.328 39.603 38.487 -0.354 0.000 1.185 256 N HN 0.250 nan 8.380 nan 0.000 0.487 257 Y N -0.218 119.965 120.300 -0.194 0.000 2.425 257 Y HA 0.314 4.864 4.550 -0.000 0.000 0.344 257 Y C -0.326 175.449 175.900 -0.207 0.000 0.969 257 Y CA -0.928 57.070 58.100 -0.170 0.000 1.052 257 Y CB 1.223 39.691 38.460 0.013 0.000 1.215 257 Y HN 0.425 nan 8.280 nan 0.000 0.451 258 W N 4.109 125.402 121.300 -0.010 0.000 2.251 258 W HA 0.426 5.086 4.660 -0.000 0.000 0.327 258 W C -0.455 175.956 176.519 -0.180 0.000 1.361 258 W CA -0.176 57.098 57.345 -0.118 0.000 1.234 258 W CB 0.384 29.723 29.460 -0.201 0.000 1.212 258 W HN 0.245 nan 8.180 nan 0.000 0.557 259 I N 4.468 125.090 120.570 0.087 0.000 2.331 259 I HA 0.351 4.521 4.170 -0.000 0.000 0.292 259 I C 0.175 176.172 176.117 -0.199 0.000 0.998 259 I CA -0.764 60.439 61.300 -0.162 0.000 1.267 259 I CB 0.761 38.686 38.000 -0.125 0.000 1.386 259 I HN 0.314 nan 8.210 nan 0.000 0.476 260 R N 5.160 125.408 120.500 -0.419 0.000 2.534 260 R HA 0.796 5.136 4.340 -0.000 0.000 0.301 260 R C -0.958 175.226 176.300 -0.193 0.000 0.961 260 R CA -0.832 55.082 56.100 -0.309 0.000 0.871 260 R CB 2.213 32.173 30.300 -0.566 0.000 1.170 260 R HN 0.700 nan 8.270 nan 0.000 0.446 261 A N 2.993 125.873 122.820 0.100 0.000 2.745 261 A HA 0.257 4.577 4.320 -0.000 0.000 0.301 261 A C -1.144 176.611 177.584 0.285 0.000 1.188 261 A CA -0.706 51.431 52.037 0.167 0.000 0.746 261 A CB 0.621 19.643 19.000 0.036 0.000 1.207 261 A HN 0.603 nan 8.150 nan 0.000 0.432 262 N N 3.544 122.400 118.700 0.260 0.000 2.419 262 N HA 0.508 5.248 4.740 -0.000 0.000 0.264 262 N C -2.591 172.924 175.510 0.009 0.000 1.031 262 N CA -1.635 51.449 53.050 0.057 0.000 0.951 262 N CB 1.660 40.119 38.487 -0.047 0.000 1.101 262 N HN 0.364 nan 8.380 nan 0.000 0.488 263 P HA 0.130 nan 4.420 nan 0.000 0.276 263 P C 0.049 177.148 177.300 -0.335 0.000 1.252 263 P CA -0.272 62.547 63.100 -0.468 0.000 0.802 263 P CB 0.816 32.193 31.700 -0.538 0.000 1.035 264 N N 0.873 119.374 118.700 -0.331 0.000 2.459 264 N HA -0.065 4.674 4.740 -0.000 0.000 0.181 264 N C 0.397 175.954 175.510 0.079 0.000 1.046 264 N CA 0.841 53.842 53.050 -0.083 0.000 0.904 264 N CB -0.627 37.880 38.487 0.033 0.000 0.964 264 N HN 0.541 nan 8.380 nan 0.000 0.444 265 F N -4.217 115.642 119.950 -0.152 0.000 2.817 265 F HA 0.718 5.245 4.527 -0.000 0.000 0.317 265 F C 0.486 176.211 175.800 -0.124 0.000 1.168 265 F CA -0.464 57.465 58.000 -0.117 0.000 0.911 265 F CB 0.988 39.938 39.000 -0.083 0.000 1.337 265 F HN 0.160 nan 8.300 nan 0.000 0.464 266 G N 0.423 109.212 108.800 -0.018 0.000 2.516 266 G HA2 0.049 4.009 3.960 -0.000 0.000 0.220 266 G HA3 0.049 4.009 3.960 -0.000 0.000 0.220 266 G C -0.783 174.038 174.900 -0.132 0.000 1.165 266 G CA -0.354 44.664 45.100 -0.137 0.000 1.013 266 G HN 1.035 nan 8.290 nan 0.000 0.590 267 T N 2.172 116.618 114.554 -0.180 0.000 2.747 267 T HA 0.597 4.947 4.350 -0.000 0.000 0.301 267 T C 0.783 175.364 174.700 -0.198 0.000 0.952 267 T CA 0.836 62.838 62.100 -0.165 0.000 0.983 267 T CB 0.455 69.228 68.868 -0.157 0.000 0.930 267 T HN 1.161 nan 8.240 nan 0.000 0.494 268 T N 0.847 115.277 114.554 -0.207 0.000 2.919 268 T HA 0.860 5.209 4.350 -0.000 0.000 0.282 268 T C 0.630 175.099 174.700 -0.385 0.000 1.020 268 T CA -0.002 61.928 62.100 -0.283 0.000 0.994 268 T CB 1.473 70.204 68.868 -0.229 0.000 1.180 268 T HN 0.969 nan 8.240 nan 0.000 0.566 269 G N 0.248 108.668 108.800 -0.635 0.000 2.693 269 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.226 269 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.226 269 G C -0.361 173.879 174.900 -1.101 0.000 1.354 269 G CA 0.044 44.632 45.100 -0.853 0.000 0.873 269 G HN 0.953 nan 8.290 nan 0.000 0.562 270 F N 0.770 120.616 119.950 -0.174 0.000 2.859 270 F HA 0.646 5.173 4.527 -0.000 0.000 0.324 270 F C 1.424 177.071 175.800 -0.256 0.000 1.158 270 F CA -0.056 57.788 58.000 -0.260 0.000 1.147 270 F CB 0.174 38.958 39.000 -0.360 0.000 1.137 270 F HN 0.874 nan 8.300 nan 0.000 0.516 271 A N 0.377 123.149 122.820 -0.081 0.000 2.540 271 A HA 0.281 4.601 4.320 -0.000 0.000 0.239 271 A C 1.004 178.546 177.584 -0.069 0.000 1.061 271 A CA 0.405 52.402 52.037 -0.067 0.000 0.758 271 A CB -0.171 18.792 19.000 -0.061 0.000 0.991 271 A HN 0.497 nan 8.150 nan 0.000 0.502 272 D N 0.676 121.044 120.400 -0.053 0.000 3.077 272 D HA -0.219 4.420 4.640 -0.000 0.000 0.217 272 D C 0.970 177.244 176.300 -0.044 0.000 1.162 272 D CA 2.737 56.722 54.000 -0.026 0.000 0.943 272 D CB -1.422 39.372 40.800 -0.010 0.000 1.122 272 D HN 2.038 nan 8.370 nan 0.000 0.413 273 G N -1.193 107.518 108.800 -0.148 0.000 2.132 273 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.234 273 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.234 273 G C 0.522 175.356 174.900 -0.112 0.000 0.989 273 G CA 0.907 45.864 45.100 -0.238 0.000 0.676 273 G HN 1.225 nan 8.290 nan 0.000 0.522 274 V N -2.542 117.325 119.914 -0.079 0.000 3.139 274 V HA 0.523 4.643 4.120 -0.000 0.000 0.307 274 V C 1.166 177.246 176.094 -0.022 0.000 1.095 274 V CA 0.448 62.716 62.300 -0.052 0.000 1.160 274 V CB 0.842 32.616 31.823 -0.081 0.000 1.003 274 V HN 0.761 nan 8.190 nan 0.000 0.489 275 N N 0.793 119.490 118.700 -0.004 0.000 2.741 275 N HA -0.166 4.574 4.740 -0.000 0.000 0.250 275 N C -0.043 175.541 175.510 0.123 0.000 1.115 275 N CA 1.360 54.440 53.050 0.050 0.000 0.724 275 N CB -1.483 36.990 38.487 -0.024 0.000 1.090 275 N HN 0.988 nan 8.380 nan 0.000 0.558 276 S N -1.255 114.473 115.700 0.047 0.000 2.595 276 S HA 0.942 5.412 4.470 -0.000 0.000 0.281 276 S C -0.098 174.566 174.600 0.107 0.000 1.117 276 S CA -0.143 58.076 58.200 0.031 0.000 0.873 276 S CB 2.916 66.016 63.200 -0.167 0.000 1.108 276 S HN 0.496 nan 8.310 nan 0.000 0.477 277 A N 1.012 123.928 122.820 0.161 0.000 2.524 277 A HA 0.915 5.234 4.320 -0.000 0.000 0.289 277 A C -1.703 175.996 177.584 0.191 0.000 1.248 277 A CA -0.727 51.401 52.037 0.152 0.000 0.712 277 A CB 0.799 19.831 19.000 0.053 0.000 1.312 277 A HN 0.704 nan 8.150 nan 0.000 0.441 278 I N 0.568 121.174 120.570 0.060 0.000 2.436 278 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 278 I C -1.158 174.927 176.117 -0.054 0.000 1.010 278 I CA -0.571 60.706 61.300 -0.038 0.000 1.098 278 I CB 1.761 39.703 38.000 -0.096 0.000 1.266 278 I HN 0.500 nan 8.210 nan 0.000 0.434 279 L N 7.492 128.685 121.223 -0.050 0.000 2.261 279 L HA 0.411 4.751 4.340 -0.000 0.000 0.289 279 L C -0.035 176.872 176.870 0.062 0.000 1.059 279 L CA 0.077 54.891 54.840 -0.044 0.000 0.816 279 L CB 0.395 42.400 42.059 -0.090 0.000 1.191 279 L HN 0.544 nan 8.230 nan 0.000 0.431 280 R N 4.014 124.532 120.500 0.029 0.000 2.310 280 R HA 0.334 4.674 4.340 -0.000 0.000 0.324 280 R C -1.280 175.101 176.300 0.136 0.000 0.955 280 R CA -0.613 55.537 56.100 0.084 0.000 0.830 280 R CB 0.581 30.886 30.300 0.008 0.000 1.154 280 R HN 0.474 nan 8.270 nan 0.000 0.458 281 Y N 2.355 122.682 120.300 0.046 0.000 2.497 281 Y HA -0.004 4.545 4.550 -0.001 0.000 0.334 281 Y C 0.507 176.427 175.900 0.034 0.000 1.199 281 Y CA 0.277 58.413 58.100 0.059 0.000 1.425 281 Y CB 0.431 38.957 38.460 0.110 0.000 1.291 281 Y HN 0.560 nan 8.280 nan 0.000 0.562 282 D N 3.186 123.667 120.400 0.134 0.000 2.506 282 D HA -0.042 4.598 4.640 -0.000 0.000 0.234 282 D C 0.430 176.804 176.300 0.123 0.000 1.143 282 D CA 1.054 55.113 54.000 0.099 0.000 0.871 282 D CB 0.333 41.179 40.800 0.076 0.000 1.190 282 D HN 0.574 nan 8.370 nan 0.000 0.459 283 D N -1.365 119.081 120.400 0.077 0.000 2.603 283 D HA -0.173 4.467 4.640 -0.000 0.000 0.180 283 D C 0.176 176.504 176.300 0.046 0.000 0.972 283 D CA 1.427 55.462 54.000 0.058 0.000 1.022 283 D CB -1.313 39.525 40.800 0.063 0.000 1.079 283 D HN 0.539 nan 8.370 nan 0.000 0.455 284 A N 0.683 123.541 122.820 0.063 0.000 2.386 284 A HA 0.344 4.664 4.320 -0.000 0.000 0.248 284 A C 0.323 177.902 177.584 -0.007 0.000 1.082 284 A CA 0.043 52.092 52.037 0.020 0.000 0.789 284 A CB 0.479 19.498 19.000 0.032 0.000 1.025 284 A HN 0.010 nan 8.150 nan 0.000 0.490 285 D N 1.947 122.326 120.400 -0.035 0.000 2.414 285 D HA 0.229 4.869 4.640 -0.000 0.000 0.242 285 D C -2.086 174.186 176.300 -0.048 0.000 1.129 285 D CA -0.722 53.254 54.000 -0.039 0.000 0.885 285 D CB 0.506 41.275 40.800 -0.052 0.000 1.198 285 D HN 0.262 nan 8.370 nan 0.000 0.437 286 P HA 0.018 nan 4.420 nan 0.000 0.237 286 P C -0.417 176.849 177.300 -0.056 0.000 1.788 286 P CA -0.115 62.961 63.100 -0.041 0.000 1.061 286 P CB -0.079 31.606 31.700 -0.025 0.000 1.967 287 V N -1.248 118.614 119.914 -0.087 0.000 3.141 287 V HA 0.539 4.659 4.120 -0.000 0.000 0.312 287 V C 0.001 175.992 176.094 -0.171 0.000 1.157 287 V CA -1.484 60.754 62.300 -0.103 0.000 1.041 287 V CB 2.105 33.869 31.823 -0.099 0.000 1.071 287 V HN 0.039 nan 8.190 nan 0.000 0.441 288 E N 1.908 122.000 120.200 -0.180 0.000 2.398 288 E HA 0.309 4.659 4.350 -0.000 0.000 0.263 288 E C -2.383 173.908 176.600 -0.516 0.000 1.046 288 E CA -1.298 54.901 56.400 -0.335 0.000 0.908 288 E CB 0.656 30.257 29.700 -0.164 0.000 0.963 288 E HN 0.614 nan 8.360 nan 0.000 0.431 289 P HA -0.053 nan 4.420 nan 0.000 0.270 289 P C -0.220 176.688 177.300 -0.653 0.000 1.223 289 P CA 0.009 62.509 63.100 -0.999 0.000 0.785 289 P CB 0.500 31.186 31.700 -1.690 0.000 0.923 290 V N -2.495 117.202 119.914 -0.361 0.000 2.925 290 V HA 0.266 4.386 4.120 -0.000 0.000 0.361 290 V C 0.159 176.247 176.094 -0.010 0.000 1.361 290 V CA -0.301 61.961 62.300 -0.063 0.000 1.184 290 V CB -0.559 31.224 31.823 -0.067 0.000 1.245 290 V HN 0.563 nan 8.190 nan 0.000 0.575 291 T N -0.550 113.996 114.554 -0.014 0.000 2.897 291 T HA 0.558 4.908 4.350 -0.000 0.000 0.278 291 T C -0.065 174.731 174.700 0.161 0.000 0.981 291 T CA -0.425 61.697 62.100 0.036 0.000 0.973 291 T CB 1.715 70.578 68.868 -0.009 0.000 1.092 291 T HN 0.743 nan 8.240 nan 0.000 0.543 292 N N -0.265 118.488 118.700 0.088 0.000 2.453 292 N HA 0.262 5.002 4.740 -0.000 0.000 0.290 292 N C -1.018 174.500 175.510 0.015 0.000 1.250 292 N CA -1.059 52.018 53.050 0.045 0.000 0.815 292 N CB 1.655 40.154 38.487 0.019 0.000 1.381 292 N HN 0.625 nan 8.380 nan 0.000 0.510 293 Q N 0.389 120.164 119.800 -0.043 0.000 2.352 293 Q HA 0.216 4.556 4.340 -0.000 0.000 0.260 293 Q C -0.291 175.689 176.000 -0.034 0.000 0.976 293 Q CA 0.092 55.855 55.803 -0.065 0.000 0.881 293 Q CB 0.995 29.674 28.738 -0.098 0.000 1.235 293 Q HN 0.676 nan 8.270 nan 0.000 0.419 294 T N -1.768 112.764 114.554 -0.036 0.000 2.876 294 T HA 0.750 5.100 4.350 -0.000 0.000 0.289 294 T C 0.022 174.699 174.700 -0.038 0.000 1.014 294 T CA -0.280 61.803 62.100 -0.028 0.000 0.986 294 T CB 1.812 70.667 68.868 -0.022 0.000 1.021 294 T HN 0.952 nan 8.240 nan 0.000 0.458 295 G N 1.272 110.054 108.800 -0.030 0.000 2.692 295 G HA2 0.134 4.094 3.960 -0.000 0.000 0.686 295 G HA3 0.134 4.094 3.960 -0.000 0.000 0.686 295 G C 0.201 175.083 174.900 -0.030 0.000 1.243 295 G CA 0.125 45.207 45.100 -0.031 0.000 0.782 295 G HN 1.920 nan 8.290 nan 0.000 0.625 296 T N -2.512 112.028 114.554 -0.024 0.000 3.091 296 T HA 0.419 4.768 4.350 -0.000 0.000 0.277 296 T C 0.764 175.452 174.700 -0.021 0.000 0.996 296 T CA 0.951 63.038 62.100 -0.020 0.000 0.897 296 T CB 0.519 69.380 68.868 -0.012 0.000 1.109 296 T HN 0.909 nan 8.240 nan 0.000 0.534 297 T N 3.785 118.323 114.554 -0.026 0.000 2.782 297 T HA 0.494 4.844 4.350 -0.000 0.000 0.298 297 T C -0.429 174.248 174.700 -0.038 0.000 0.944 297 T CA -0.495 61.590 62.100 -0.025 0.000 1.001 297 T CB 0.372 69.227 68.868 -0.022 0.000 0.932 297 T HN 0.319 nan 8.240 nan 0.000 0.524 298 L N 5.529 126.733 121.223 -0.032 0.000 2.276 298 L HA 0.522 4.862 4.340 -0.000 0.000 0.286 298 L C -0.133 176.712 176.870 -0.042 0.000 1.061 298 L CA -0.873 53.942 54.840 -0.041 0.000 0.807 298 L CB 0.529 42.574 42.059 -0.025 0.000 1.177 298 L HN 0.504 nan 8.230 nan 0.000 0.429 299 L N 5.720 126.899 121.223 -0.073 0.000 2.578 299 L HA 0.126 4.466 4.340 -0.000 0.000 0.279 299 L C -0.852 175.999 176.870 -0.032 0.000 1.227 299 L CA 0.957 55.751 54.840 -0.077 0.000 0.900 299 L CB -0.036 41.922 42.059 -0.170 0.000 1.144 299 L HN 0.601 nan 8.230 nan 0.000 0.496 300 L N 5.387 126.602 121.223 -0.013 0.000 2.309 300 L HA 0.300 4.639 4.340 -0.000 0.000 0.282 300 L C 1.272 178.146 176.870 0.007 0.000 1.036 300 L CA -0.360 54.486 54.840 0.009 0.000 0.806 300 L CB 1.572 43.637 42.059 0.009 0.000 1.220 300 L HN 0.764 nan 8.230 nan 0.000 0.429 301 E N 0.850 121.069 120.200 0.032 0.000 2.160 301 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 301 E C 1.470 178.043 176.600 -0.045 0.000 0.991 301 E CA 1.791 58.207 56.400 0.026 0.000 0.810 301 E CB 0.318 30.046 29.700 0.048 0.000 0.742 301 E HN 0.866 nan 8.360 nan 0.000 0.466 302 T N -1.572 112.957 114.554 -0.042 0.000 3.098 302 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 302 T C 0.964 175.603 174.700 -0.100 0.000 1.145 302 T CA 0.847 62.914 62.100 -0.055 0.000 1.092 302 T CB 0.014 68.878 68.868 -0.007 0.000 0.908 302 T HN 0.027 nan 8.240 nan 0.000 0.526 303 D N 0.704 121.043 120.400 -0.103 0.000 2.339 303 D HA 0.252 4.892 4.640 -0.000 0.000 0.217 303 D C 0.229 176.361 176.300 -0.280 0.000 1.050 303 D CA 0.030 53.973 54.000 -0.095 0.000 0.856 303 D CB 0.163 40.973 40.800 0.017 0.000 0.922 303 D HN 0.439 nan 8.370 nan 0.000 0.518 304 L N 0.897 121.899 121.223 -0.368 0.000 2.276 304 L HA 0.320 4.660 4.340 -0.000 0.000 0.286 304 L C -0.374 176.181 176.870 -0.524 0.000 1.061 304 L CA -0.149 54.535 54.840 -0.260 0.000 0.807 304 L CB 0.746 42.776 42.059 -0.049 0.000 1.177 304 L HN -0.085 nan 8.230 nan 0.000 0.429 305 H N 2.357 121.502 119.070 0.124 0.000 2.894 305 H HA 0.363 4.919 4.556 -0.000 0.000 0.367 305 H C -2.491 172.926 175.328 0.149 0.000 1.144 305 H CA -1.828 54.300 56.048 0.134 0.000 1.180 305 H CB 1.851 31.680 29.762 0.111 0.000 1.758 305 H HN 0.365 nan 8.280 nan 0.000 0.541 306 P HA -0.078 nan 4.420 nan 0.000 0.269 306 P C 0.591 177.988 177.300 0.161 0.000 1.209 306 P CA -0.255 62.968 63.100 0.204 0.000 0.776 306 P CB 0.928 32.743 31.700 0.192 0.000 0.876 307 L N 2.796 124.089 121.223 0.117 0.000 2.093 307 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 307 L C 0.825 177.719 176.870 0.040 0.000 1.085 307 L CA 2.047 56.933 54.840 0.076 0.000 0.755 307 L CB -0.983 41.067 42.059 -0.015 0.000 0.904 307 L HN 0.453 nan 8.230 nan 0.000 0.435 308 T N -2.754 111.813 114.554 0.022 0.000 2.895 308 T HA 0.454 4.804 4.350 -0.000 0.000 0.283 308 T C 0.215 174.924 174.700 0.016 0.000 1.014 308 T CA -0.619 61.485 62.100 0.006 0.000 1.037 308 T CB 1.162 70.018 68.868 -0.020 0.000 1.006 308 T HN 0.108 nan 8.240 nan 0.000 0.468 309 S N 2.465 118.176 115.700 0.019 0.000 2.525 309 S HA 0.241 4.711 4.470 -0.000 0.000 0.285 309 S C 0.053 174.653 174.600 0.001 0.000 1.283 309 S CA -0.211 58.011 58.200 0.036 0.000 1.072 309 S CB -0.409 62.813 63.200 0.038 0.000 0.867 309 S HN 0.679 nan 8.310 nan 0.000 0.492 310 M N 4.824 124.443 119.600 0.032 0.000 1.986 310 M HA 0.271 4.751 4.480 -0.000 0.000 0.247 310 M C -2.688 173.725 176.300 0.188 0.000 0.851 310 M CA -1.747 53.507 55.300 -0.076 0.000 0.785 310 M CB 1.372 33.714 32.600 -0.430 0.000 1.554 310 M HN 0.285 nan 8.290 nan 0.000 0.361 311 P HA 0.079 nan 4.420 nan 0.000 0.268 311 P C -0.480 177.064 177.300 0.408 0.000 1.208 311 P CA -0.309 62.937 63.100 0.243 0.000 0.777 311 P CB 0.630 32.419 31.700 0.147 0.000 0.875 312 V N 4.679 124.815 119.914 0.369 0.000 2.432 312 V HA 0.209 4.329 4.120 -0.000 0.000 0.271 312 V C -1.838 174.418 176.094 0.270 0.000 1.046 312 V CA -1.395 61.126 62.300 0.369 0.000 0.945 312 V CB 0.368 32.366 31.823 0.292 0.000 0.992 312 V HN 0.583 nan 8.190 nan 0.000 0.471 313 P HA 0.449 nan 4.420 nan 0.000 0.271 313 P C 0.418 177.772 177.300 0.090 0.000 1.218 313 P CA 0.957 64.153 63.100 0.159 0.000 0.780 313 P CB 0.580 32.371 31.700 0.152 0.000 0.901 314 G N 2.048 110.874 108.800 0.042 0.000 2.728 314 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.294 314 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.294 314 G C -0.772 174.107 174.900 -0.035 0.000 1.342 314 G CA -0.834 44.263 45.100 -0.004 0.000 0.866 314 G HN 0.662 nan 8.290 nan 0.000 0.534 315 N N 1.828 120.476 118.700 -0.088 0.000 2.525 315 N HA 0.461 5.201 4.740 -0.000 0.000 0.271 315 N C -2.074 173.228 175.510 -0.346 0.000 1.194 315 N CA -0.952 52.004 53.050 -0.158 0.000 0.964 315 N CB 1.226 39.627 38.487 -0.142 0.000 1.126 315 N HN 0.423 nan 8.380 nan 0.000 0.452 316 P HA 0.038 nan 4.420 nan 0.000 0.226 316 P C -1.088 175.514 177.300 -1.164 0.000 1.783 316 P CA 0.084 62.494 63.100 -1.151 0.000 0.980 316 P CB -0.429 30.954 31.700 -0.528 0.000 1.967 317 T N -2.965 111.054 114.554 -0.892 0.000 2.853 317 T HA 0.273 4.623 4.350 -0.000 0.000 0.311 317 T C -0.396 174.174 174.700 -0.217 0.000 1.307 317 T CA -0.976 60.873 62.100 -0.418 0.000 1.019 317 T CB 1.069 69.787 68.868 -0.250 0.000 1.264 317 T HN 0.056 nan 8.240 nan 0.000 0.497 318 Q N 0.346 120.039 119.800 -0.177 0.000 2.286 318 Q HA 0.387 4.727 4.340 -0.000 0.000 0.290 318 Q C 1.368 177.305 176.000 -0.105 0.000 1.049 318 Q CA 1.258 56.968 55.803 -0.157 0.000 0.923 318 Q CB 0.380 28.971 28.738 -0.245 0.000 1.183 318 Q HN 1.389 nan 8.270 nan 0.000 0.383 319 G N 2.215 110.975 108.800 -0.067 0.000 2.153 319 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.252 319 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.252 319 G C 0.616 175.471 174.900 -0.073 0.000 0.994 319 G CA 0.116 45.176 45.100 -0.068 0.000 0.698 319 G HN 0.834 nan 8.290 nan 0.000 0.521 320 G N -0.462 108.290 108.800 -0.081 0.000 2.920 320 G HA2 0.575 4.535 3.960 -0.000 0.000 0.208 320 G HA3 0.575 4.535 3.960 -0.000 0.000 0.208 320 G C 0.841 175.695 174.900 -0.077 0.000 1.159 320 G CA 1.246 46.285 45.100 -0.101 0.000 0.784 320 G HN 1.531 nan 8.290 nan 0.000 0.535 321 A N -0.021 122.760 122.820 -0.066 0.000 2.242 321 A HA 0.494 4.814 4.320 -0.000 0.000 0.304 321 A C 1.151 178.694 177.584 -0.069 0.000 1.100 321 A CA -0.252 51.743 52.037 -0.071 0.000 0.860 321 A CB 0.673 19.614 19.000 -0.097 0.000 1.168 321 A HN 0.065 nan 8.150 nan 0.000 0.503 322 D N -1.056 119.303 120.400 -0.069 0.000 2.123 322 D HA -0.074 4.566 4.640 -0.000 0.000 0.196 322 D C 0.157 176.424 176.300 -0.057 0.000 0.992 322 D CA 1.681 55.648 54.000 -0.055 0.000 0.833 322 D CB -0.114 40.656 40.800 -0.049 0.000 0.954 322 D HN 0.248 nan 8.370 nan 0.000 0.455 323 L N 0.803 121.978 121.223 -0.080 0.000 2.410 323 L HA 0.348 4.688 4.340 -0.000 0.000 0.270 323 L C -1.438 175.375 176.870 -0.095 0.000 0.983 323 L CA -0.557 54.242 54.840 -0.069 0.000 0.822 323 L CB 1.907 43.934 42.059 -0.054 0.000 1.285 323 L HN -0.226 nan 8.230 nan 0.000 0.409 324 N N 6.611 125.265 118.700 -0.076 0.000 2.442 324 N HA 0.525 5.265 4.740 -0.000 0.000 0.274 324 N C -1.474 173.980 175.510 -0.094 0.000 1.002 324 N CA -0.356 52.638 53.050 -0.093 0.000 0.910 324 N CB 2.275 40.715 38.487 -0.078 0.000 1.244 324 N HN 0.507 nan 8.380 nan 0.000 0.492 325 L N 1.814 122.951 121.223 -0.143 0.000 2.365 325 L HA 0.441 4.780 4.340 -0.000 0.000 0.273 325 L C -0.164 176.551 176.870 -0.259 0.000 1.000 325 L CA -0.861 53.877 54.840 -0.169 0.000 0.819 325 L CB 1.947 43.877 42.059 -0.215 0.000 1.284 325 L HN 0.419 nan 8.230 nan 0.000 0.418 326 N N 2.958 121.524 118.700 -0.224 0.000 2.362 326 N HA 0.502 5.242 4.740 -0.000 0.000 0.298 326 N C -1.043 174.279 175.510 -0.312 0.000 1.048 326 N CA -0.505 52.373 53.050 -0.288 0.000 0.858 326 N CB 1.186 39.560 38.487 -0.188 0.000 1.218 326 N HN 0.398 nan 8.380 nan 0.000 0.488 327 M N 2.745 122.064 119.600 -0.469 0.000 2.055 327 M HA 0.392 4.872 4.480 -0.000 0.000 0.346 327 M C -0.695 175.371 176.300 -0.390 0.000 1.074 327 M CA -0.761 54.316 55.300 -0.373 0.000 1.009 327 M CB 0.463 32.770 32.600 -0.490 0.000 1.423 327 M HN 0.604 nan 8.290 nan 0.000 0.410 328 A N 5.256 127.996 122.820 -0.134 0.000 2.269 328 A HA 0.717 5.037 4.320 -0.000 0.000 0.302 328 A C -0.563 177.133 177.584 0.187 0.000 1.266 328 A CA -0.418 51.562 52.037 -0.096 0.000 0.894 328 A CB 0.051 19.046 19.000 -0.009 0.000 1.147 328 A HN 0.748 nan 8.150 nan 0.000 0.537 329 F N 2.476 122.559 119.950 0.222 0.000 2.371 329 F HA 0.429 4.956 4.527 -0.000 0.000 0.329 329 F C 0.910 176.880 175.800 0.283 0.000 1.107 329 F CA -0.540 57.688 58.000 0.379 0.000 1.137 329 F CB 1.191 40.470 39.000 0.465 0.000 1.214 329 F HN 0.595 nan 8.300 nan 0.000 0.536 330 N N 1.008 120.030 118.700 0.537 0.000 2.934 330 N HA 0.487 5.226 4.740 -0.000 0.000 0.253 330 N C -2.157 173.580 175.510 0.377 0.000 1.466 330 N CA -0.465 52.789 53.050 0.340 0.000 0.858 330 N CB 2.531 41.117 38.487 0.164 0.000 1.459 330 N HN 0.503 nan 8.380 nan 0.000 0.532 331 F N 0.889 120.843 119.950 0.007 0.000 2.650 331 F HA 0.247 4.774 4.527 -0.000 0.000 0.310 331 F C -0.835 174.907 175.800 -0.098 0.000 1.112 331 F CA -0.803 57.094 58.000 -0.171 0.000 0.986 331 F CB 1.239 39.895 39.000 -0.572 0.000 1.285 331 F HN 0.456 nan 8.300 nan 0.000 0.440 332 D N 1.681 121.699 120.400 -0.638 0.000 2.479 332 D HA 0.369 5.009 4.640 -0.000 0.000 0.218 332 D C 1.286 177.189 176.300 -0.661 0.000 1.177 332 D CA 0.528 54.249 54.000 -0.466 0.000 0.830 332 D CB 0.640 41.343 40.800 -0.162 0.000 1.014 332 D HN 1.101 nan 8.370 nan 0.000 0.503 333 G N -0.707 107.228 108.800 -1.442 0.000 2.254 333 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.225 333 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.225 333 G C 1.094 175.667 174.900 -0.545 0.000 1.003 333 G CA 0.519 45.145 45.100 -0.790 0.000 0.622 333 G HN 0.395 nan 8.290 nan 0.000 0.507 334 T N -0.199 113.986 114.554 -0.615 0.000 3.176 334 T HA 0.271 4.620 4.350 -0.000 0.000 0.259 334 T C 0.428 175.127 174.700 -0.001 0.000 0.978 334 T CA 0.568 62.600 62.100 -0.114 0.000 1.050 334 T CB 0.329 69.152 68.868 -0.076 0.000 1.136 334 T HN 0.283 nan 8.240 nan 0.000 0.465 335 N N 0.566 119.132 118.700 -0.224 0.000 2.319 335 N HA 0.594 5.334 4.740 -0.000 0.000 0.305 335 N C -1.494 173.916 175.510 -0.167 0.000 1.103 335 N CA -0.544 52.443 53.050 -0.105 0.000 0.815 335 N CB 1.285 39.618 38.487 -0.256 0.000 1.288 335 N HN 0.076 nan 8.380 nan 0.000 0.493 336 F N 0.748 120.694 119.950 -0.005 0.000 2.377 336 F HA 0.527 5.053 4.527 -0.000 0.000 0.328 336 F C 0.049 175.726 175.800 -0.206 0.000 1.094 336 F CA -0.235 57.731 58.000 -0.056 0.000 1.093 336 F CB 0.799 39.544 39.000 -0.424 0.000 1.214 336 F HN 0.277 nan 8.300 nan 0.000 0.518 337 F N 2.040 122.199 119.950 0.348 0.000 2.576 337 F HA 0.622 5.149 4.527 -0.000 0.000 0.313 337 F C -0.577 175.546 175.800 0.537 0.000 1.078 337 F CA -0.877 57.348 58.000 0.375 0.000 0.921 337 F CB 1.760 40.901 39.000 0.236 0.000 1.232 337 F HN 0.055 nan 8.300 nan 0.000 0.459 338 I N 2.733 123.701 120.570 0.662 0.000 2.447 338 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 338 I C -0.649 175.739 176.117 0.452 0.000 1.023 338 I CA -0.842 60.817 61.300 0.598 0.000 1.083 338 I CB 1.545 39.869 38.000 0.541 0.000 1.245 338 I HN 0.626 nan 8.210 nan 0.000 0.434 339 N N 4.999 123.909 118.700 0.351 0.000 2.727 339 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 339 N C 0.866 176.532 175.510 0.259 0.000 1.048 339 N CA 1.395 54.602 53.050 0.261 0.000 0.714 339 N CB -0.942 37.713 38.487 0.280 0.000 0.959 339 N HN 1.188 nan 8.380 nan 0.000 0.544 340 G N -1.580 107.394 108.800 0.291 0.000 2.176 340 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.253 340 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.253 340 G C -0.416 174.731 174.900 0.413 0.000 0.979 340 G CA 0.509 45.754 45.100 0.242 0.000 0.641 340 G HN 0.433 nan 8.290 nan 0.000 0.530 341 E N 0.404 120.897 120.200 0.488 0.000 2.224 341 E HA 0.537 4.886 4.350 -0.000 0.000 0.265 341 E C -0.720 176.089 176.600 0.348 0.000 0.878 341 E CA -0.415 56.238 56.400 0.422 0.000 0.759 341 E CB 1.766 31.641 29.700 0.291 0.000 1.164 341 E HN 0.147 nan 8.360 nan 0.000 0.414 342 S N 2.974 118.700 115.700 0.045 0.000 2.499 342 S HA 0.323 4.793 4.470 -0.000 0.000 0.279 342 S C -0.455 174.183 174.600 0.064 0.000 1.219 342 S CA -0.601 57.468 58.200 -0.217 0.000 1.062 342 S CB 0.103 62.830 63.200 -0.788 0.000 0.978 342 S HN 0.398 nan 8.310 nan 0.000 0.489 343 F N 5.322 125.322 119.950 0.083 0.000 2.541 343 F HA 0.341 4.868 4.527 -0.000 0.000 0.378 343 F C 0.744 176.600 175.800 0.094 0.000 1.068 343 F CA 0.172 58.256 58.000 0.140 0.000 1.199 343 F CB 0.457 39.591 39.000 0.222 0.000 1.091 343 F HN 0.578 nan 8.300 nan 0.000 0.555 344 T N 5.868 120.101 114.554 -0.535 0.000 2.848 344 T HA 0.527 4.877 4.350 -0.000 0.000 0.285 344 T C -2.938 171.374 174.700 -0.647 0.000 0.995 344 T CA -2.327 59.547 62.100 -0.376 0.000 0.970 344 T CB 1.612 70.356 68.868 -0.208 0.000 0.976 344 T HN 0.302 nan 8.240 nan 0.000 0.441 345 P HA 0.242 nan 4.420 nan 0.000 0.266 345 P C -2.386 174.735 177.300 -0.298 0.000 1.195 345 P CA -1.004 61.965 63.100 -0.217 0.000 0.768 345 P CB -0.367 31.274 31.700 -0.100 0.000 0.838 346 P HA 0.132 nan 4.420 nan 0.000 0.276 346 P C 0.632 177.834 177.300 -0.162 0.000 1.244 346 P CA -0.138 62.876 63.100 -0.143 0.000 0.801 346 P CB 0.551 32.225 31.700 -0.042 0.000 1.006 347 T N -0.481 114.001 114.554 -0.119 0.000 2.857 347 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 347 T C 0.899 175.642 174.700 0.072 0.000 1.048 347 T CA 0.891 62.941 62.100 -0.082 0.000 1.139 347 T CB -0.170 68.671 68.868 -0.045 0.000 0.874 347 T HN 0.202 nan 8.240 nan 0.000 0.455 348 V N 3.608 123.559 119.914 0.062 0.000 2.394 348 V HA 0.306 4.426 4.120 -0.000 0.000 0.282 348 V C -2.408 173.751 176.094 0.107 0.000 1.031 348 V CA -2.531 59.818 62.300 0.082 0.000 0.881 348 V CB 1.216 33.066 31.823 0.046 0.000 0.982 348 V HN 0.086 nan 8.190 nan 0.000 0.451 349 P HA 0.046 nan 4.420 nan 0.000 0.267 349 P C 1.110 178.462 177.300 0.086 0.000 1.200 349 P CA 0.107 63.264 63.100 0.095 0.000 0.772 349 P CB 0.668 32.381 31.700 0.021 0.000 0.855 350 V N 2.912 122.861 119.914 0.060 0.000 2.332 350 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 350 V C 2.176 178.300 176.094 0.050 0.000 1.055 350 V CA 1.879 64.206 62.300 0.044 0.000 1.038 350 V CB -1.148 30.684 31.823 0.015 0.000 0.651 350 V HN 0.533 nan 8.190 nan 0.000 0.450 351 L N -0.223 121.039 121.223 0.066 0.000 2.046 351 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 351 L C 2.187 179.173 176.870 0.192 0.000 1.077 351 L CA 1.899 56.791 54.840 0.086 0.000 0.747 351 L CB -0.691 41.423 42.059 0.092 0.000 0.896 351 L HN 0.295 nan 8.230 nan 0.000 0.432 352 L N -0.526 120.886 121.223 0.315 0.000 2.131 352 L HA -0.209 4.130 4.340 -0.000 0.000 0.210 352 L C 2.470 179.429 176.870 0.149 0.000 1.092 352 L CA 1.679 56.700 54.840 0.301 0.000 0.759 352 L CB -0.708 41.457 42.059 0.177 0.000 0.903 352 L HN 0.454 nan 8.230 nan 0.000 0.435 353 Q N -0.600 119.262 119.800 0.102 0.000 2.096 353 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 353 Q C 2.257 178.292 176.000 0.059 0.000 0.982 353 Q CA 2.213 58.056 55.803 0.067 0.000 0.850 353 Q CB -0.253 28.516 28.738 0.052 0.000 0.901 353 Q HN 0.577 nan 8.270 nan 0.000 0.422 354 I N 0.275 120.879 120.570 0.057 0.000 2.202 354 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 354 I C 2.182 178.325 176.117 0.044 0.000 1.091 354 I CA 0.992 62.316 61.300 0.040 0.000 1.368 354 I CB -0.222 37.790 38.000 0.021 0.000 1.058 354 I HN 0.187 nan 8.210 nan 0.000 0.410 355 I N 0.338 120.945 120.570 0.062 0.000 2.264 355 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 355 I C 2.124 178.278 176.117 0.063 0.000 1.111 355 I CA 1.332 62.669 61.300 0.063 0.000 1.382 355 I CB -0.242 37.819 38.000 0.102 0.000 1.060 355 I HN 0.146 nan 8.210 nan 0.000 0.418 356 S N -0.061 115.681 115.700 0.069 0.000 2.603 356 S HA 0.177 4.647 4.470 -0.000 0.000 0.220 356 S C 1.384 176.007 174.600 0.039 0.000 0.967 356 S CA 0.754 58.986 58.200 0.054 0.000 0.920 356 S CB 0.461 63.693 63.200 0.054 0.000 0.773 356 S HN 0.731 nan 8.310 nan 0.000 0.529 357 G N 0.646 109.468 108.800 0.036 0.000 2.260 357 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.179 357 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.179 357 G C 0.104 175.020 174.900 0.026 0.000 1.002 357 G CA -0.353 44.764 45.100 0.028 0.000 0.677 357 G HN 0.721 nan 8.290 nan 0.000 0.486 358 A N 0.781 123.619 122.820 0.029 0.000 2.409 358 A HA 0.606 4.926 4.320 -0.000 0.000 0.262 358 A C 0.844 178.443 177.584 0.026 0.000 1.113 358 A CA 0.827 52.880 52.037 0.026 0.000 0.790 358 A CB 0.180 19.196 19.000 0.028 0.000 1.046 358 A HN 1.164 nan 8.150 nan 0.000 0.496 359 N N 0.175 118.889 118.700 0.024 0.000 2.232 359 N HA 0.120 4.860 4.740 -0.000 0.000 0.240 359 N C -0.388 175.138 175.510 0.027 0.000 1.307 359 N CA 0.406 53.472 53.050 0.026 0.000 0.859 359 N CB 0.317 38.818 38.487 0.024 0.000 1.260 359 N HN 0.588 nan 8.380 nan 0.000 0.501 360 T N -4.763 109.805 114.554 0.025 0.000 2.903 360 T HA 0.746 5.096 4.350 -0.000 0.000 0.299 360 T C 0.919 175.633 174.700 0.023 0.000 1.093 360 T CA -0.323 61.791 62.100 0.023 0.000 1.002 360 T CB 1.733 70.610 68.868 0.016 0.000 1.127 360 T HN 0.028 nan 8.240 nan 0.000 0.488 361 A N 1.267 124.100 122.820 0.023 0.000 1.908 361 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 361 A C 2.566 180.147 177.584 -0.005 0.000 1.181 361 A CA 2.571 54.617 52.037 0.015 0.000 0.627 361 A CB -1.403 17.599 19.000 0.004 0.000 0.818 361 A HN 1.234 nan 8.150 nan 0.000 0.445 362 Q N -0.733 119.059 119.800 -0.012 0.000 2.226 362 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 362 Q C 1.178 177.175 176.000 -0.005 0.000 0.975 362 Q CA 1.713 57.506 55.803 -0.017 0.000 0.866 362 Q CB -0.951 27.778 28.738 -0.015 0.000 0.915 362 Q HN 0.721 nan 8.270 nan 0.000 0.440 363 D N 0.084 120.486 120.400 0.004 0.000 2.333 363 D HA 0.249 4.889 4.640 -0.000 0.000 0.208 363 D C 0.398 176.705 176.300 0.012 0.000 0.984 363 D CA 0.134 54.138 54.000 0.007 0.000 0.873 363 D CB -0.036 40.771 40.800 0.011 0.000 0.935 363 D HN 0.411 nan 8.370 nan 0.000 0.521 364 L N 1.162 122.396 121.223 0.017 0.000 2.380 364 L HA 0.205 4.545 4.340 -0.000 0.000 0.273 364 L C 0.269 177.153 176.870 0.023 0.000 1.138 364 L CA -0.288 54.568 54.840 0.027 0.000 0.832 364 L CB 1.017 43.102 42.059 0.043 0.000 1.124 364 L HN -0.239 nan 8.230 nan 0.000 0.454 365 L N 5.065 126.299 121.223 0.018 0.000 2.325 365 L HA 0.474 4.814 4.340 -0.000 0.000 0.279 365 L C -2.092 174.779 176.870 0.000 0.000 1.054 365 L CA -1.911 52.925 54.840 -0.005 0.000 0.804 365 L CB 1.450 43.495 42.059 -0.024 0.000 1.200 365 L HN 0.378 nan 8.230 nan 0.000 0.436 366 P HA 0.066 nan 4.420 nan 0.000 0.284 366 P C -0.526 176.764 177.300 -0.017 0.000 1.253 366 P CA -0.442 62.601 63.100 -0.095 0.000 0.800 366 P CB 1.474 33.013 31.700 -0.269 0.000 0.961 367 S N 1.706 117.395 115.700 -0.019 0.000 2.537 367 S HA 0.332 4.802 4.470 -0.000 0.000 0.286 367 S C 1.518 176.129 174.600 0.018 0.000 1.299 367 S CA 1.181 59.380 58.200 -0.002 0.000 1.067 367 S CB -1.312 61.885 63.200 -0.004 0.000 0.864 367 S HN 0.888 nan 8.310 nan 0.000 0.494 368 G N 3.494 112.294 108.800 0.001 0.000 2.176 368 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 368 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 368 G C 0.692 175.618 174.900 0.042 0.000 0.979 368 G CA 0.507 45.608 45.100 0.001 0.000 0.641 368 G HN 0.852 nan 8.290 nan 0.000 0.530 369 S N -0.804 114.964 115.700 0.114 0.000 2.559 369 S HA 0.478 4.948 4.470 -0.000 0.000 0.226 369 S C 0.464 175.272 174.600 0.347 0.000 1.000 369 S CA 0.468 58.860 58.200 0.319 0.000 0.948 369 S CB 1.288 64.775 63.200 0.477 0.000 0.870 369 S HN 0.515 nan 8.310 nan 0.000 0.497 370 V N 2.223 122.205 119.914 0.114 0.000 2.459 370 V HA 0.488 4.608 4.120 -0.000 0.000 0.295 370 V C -1.331 174.737 176.094 -0.042 0.000 1.029 370 V CA -0.693 61.705 62.300 0.163 0.000 0.874 370 V CB 1.020 32.918 31.823 0.124 0.000 0.985 370 V HN 0.288 nan 8.190 nan 0.000 0.438 371 Y N 1.759 122.141 120.300 0.138 0.000 2.331 371 Y HA 0.472 5.022 4.550 -0.000 0.000 0.334 371 Y C 0.585 176.551 175.900 0.110 0.000 0.960 371 Y CA -0.446 57.722 58.100 0.113 0.000 1.130 371 Y CB 2.119 40.646 38.460 0.112 0.000 1.164 371 Y HN 0.602 nan 8.280 nan 0.000 0.458 372 S N 4.481 120.289 115.700 0.181 0.000 2.528 372 S HA 0.549 5.018 4.470 -0.000 0.000 0.277 372 S C -0.732 173.967 174.600 0.165 0.000 1.297 372 S CA -0.443 57.847 58.200 0.149 0.000 1.052 372 S CB -0.062 63.193 63.200 0.091 0.000 0.917 372 S HN 0.587 nan 8.310 nan 0.000 0.492 373 L N 7.092 128.415 121.223 0.168 0.000 2.333 373 L HA 0.521 4.861 4.340 -0.000 0.000 0.280 373 L C -2.086 174.854 176.870 0.116 0.000 1.004 373 L CA -2.290 52.636 54.840 0.143 0.000 0.820 373 L CB 1.957 44.132 42.059 0.193 0.000 1.247 373 L HN 0.518 nan 8.230 nan 0.000 0.416 374 P HA 0.051 nan 4.420 nan 0.000 0.274 374 P C -0.254 177.089 177.300 0.072 0.000 1.231 374 P CA -0.311 62.828 63.100 0.065 0.000 0.790 374 P CB 1.378 33.102 31.700 0.039 0.000 0.951 375 S N 2.347 118.092 115.700 0.074 0.000 2.563 375 S HA -0.050 4.420 4.470 -0.000 0.000 0.284 375 S C 0.803 175.439 174.600 0.060 0.000 1.331 375 S CA 0.051 58.298 58.200 0.079 0.000 1.047 375 S CB -1.026 62.217 63.200 0.071 0.000 0.859 375 S HN 0.627 nan 8.310 nan 0.000 0.514 376 N N 2.063 120.804 118.700 0.069 0.000 2.696 376 N HA -0.188 4.551 4.740 -0.000 0.000 0.271 376 N C -1.323 174.205 175.510 0.031 0.000 0.997 376 N CA 1.097 54.180 53.050 0.054 0.000 0.801 376 N CB -1.265 37.251 38.487 0.047 0.000 0.913 376 N HN 0.496 nan 8.380 nan 0.000 0.557 377 S N -0.442 115.268 115.700 0.016 0.000 2.548 377 S HA 0.587 5.057 4.470 -0.000 0.000 0.286 377 S C -0.431 174.127 174.600 -0.070 0.000 1.098 377 S CA -0.513 57.674 58.200 -0.021 0.000 0.930 377 S CB 1.608 64.792 63.200 -0.027 0.000 1.070 377 S HN 0.479 nan 8.310 nan 0.000 0.480 378 S N 2.390 118.042 115.700 -0.080 0.000 2.548 378 S HA 0.595 5.065 4.470 -0.000 0.000 0.277 378 S C -0.333 174.123 174.600 -0.240 0.000 1.315 378 S CA -0.572 57.546 58.200 -0.137 0.000 1.050 378 S CB -0.035 63.124 63.200 -0.067 0.000 0.918 378 S HN 0.503 nan 8.310 nan 0.000 0.497 379 I N 1.773 122.069 120.570 -0.456 0.000 2.465 379 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 379 I C 0.052 175.922 176.117 -0.411 0.000 1.014 379 I CA -0.558 60.422 61.300 -0.534 0.000 1.093 379 I CB 1.454 38.847 38.000 -1.012 0.000 1.267 379 I HN 0.883 nan 8.210 nan 0.000 0.431 380 E N 6.505 126.566 120.200 -0.230 0.000 2.171 380 E HA 0.691 5.041 4.350 -0.000 0.000 0.271 380 E C -1.455 175.047 176.600 -0.163 0.000 0.916 380 E CA -0.520 55.796 56.400 -0.139 0.000 0.774 380 E CB 1.724 31.377 29.700 -0.077 0.000 1.128 380 E HN 0.516 nan 8.360 nan 0.000 0.403 381 I N 3.499 123.971 120.570 -0.163 0.000 2.498 381 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 381 I C -0.312 175.536 176.117 -0.448 0.000 1.032 381 I CA -0.911 60.172 61.300 -0.362 0.000 1.073 381 I CB 2.135 39.877 38.000 -0.429 0.000 1.251 381 I HN 0.527 nan 8.210 nan 0.000 0.426 382 T N 1.366 115.582 114.554 -0.565 0.000 2.855 382 T HA 0.646 4.996 4.350 -0.000 0.000 0.281 382 T C -0.627 173.629 174.700 -0.741 0.000 1.007 382 T CA -0.505 61.338 62.100 -0.428 0.000 1.009 382 T CB 1.466 70.203 68.868 -0.219 0.000 0.983 382 T HN 0.307 nan 8.240 nan 0.000 0.455 383 F N 2.231 121.991 119.950 -0.316 0.000 2.564 383 F HA 0.335 4.862 4.527 -0.000 0.000 0.329 383 F C -2.323 173.198 175.800 -0.465 0.000 1.458 383 F CA -2.332 55.376 58.000 -0.487 0.000 1.117 383 F CB 1.011 39.786 39.000 -0.375 0.000 1.383 383 F HN 0.357 nan 8.300 nan 0.000 0.571 384 P HA 0.076 nan 4.420 nan 0.000 0.264 384 P C 0.008 177.225 177.300 -0.139 0.000 1.193 384 P CA 0.246 63.237 63.100 -0.181 0.000 0.763 384 P CB 0.998 32.598 31.700 -0.167 0.000 0.810 385 A N 3.309 126.154 122.820 0.042 0.000 2.445 385 A HA 0.480 4.800 4.320 -0.000 0.000 0.242 385 A C 0.518 178.189 177.584 0.146 0.000 1.075 385 A CA 0.357 52.505 52.037 0.185 0.000 0.777 385 A CB -0.163 18.941 19.000 0.174 0.000 1.013 385 A HN 0.583 nan 8.150 nan 0.000 0.493 386 T N -0.473 114.226 114.554 0.242 0.000 2.956 386 T HA 0.413 4.763 4.350 -0.000 0.000 0.312 386 T C 1.075 175.887 174.700 0.188 0.000 1.151 386 T CA 0.250 62.455 62.100 0.176 0.000 1.024 386 T CB 1.015 69.975 68.868 0.154 0.000 1.140 386 T HN 1.192 nan 8.240 nan 0.000 0.473 387 T N 1.351 115.977 114.554 0.120 0.000 2.977 387 T HA 0.015 4.365 4.350 -0.000 0.000 0.271 387 T C 2.136 176.898 174.700 0.104 0.000 1.105 387 T CA 1.176 63.333 62.100 0.096 0.000 1.116 387 T CB -0.457 68.446 68.868 0.059 0.000 0.878 387 T HN 0.752 nan 8.240 nan 0.000 0.509 388 A N 1.266 124.164 122.820 0.130 0.000 2.178 388 A HA 0.560 4.880 4.320 -0.000 0.000 0.218 388 A C 1.603 179.286 177.584 0.166 0.000 1.157 388 A CA 0.768 52.886 52.037 0.135 0.000 0.689 388 A CB -0.556 18.525 19.000 0.135 0.000 0.787 388 A HN 0.886 nan 8.150 nan 0.000 0.465 389 A N 0.512 123.449 122.820 0.195 0.000 2.586 389 A HA 0.633 4.953 4.320 -0.000 0.000 0.320 389 A C -2.953 174.711 177.584 0.133 0.000 1.281 389 A CA -1.535 50.585 52.037 0.139 0.000 0.775 389 A CB 0.496 19.634 19.000 0.231 0.000 1.122 389 A HN 0.130 nan 8.150 nan 0.000 0.470 390 P HA 0.428 nan 4.420 nan 0.000 0.272 390 P C 1.046 178.258 177.300 -0.147 0.000 1.230 390 P CA 1.379 64.365 63.100 -0.188 0.000 0.788 390 P CB 0.832 32.303 31.700 -0.381 0.000 0.949 391 G N -0.628 108.071 108.800 -0.169 0.000 2.148 391 G HA2 -0.018 3.941 3.960 -0.000 0.000 0.203 391 G HA3 -0.018 3.941 3.960 -0.000 0.000 0.203 391 G C 0.341 174.953 174.900 -0.480 0.000 0.993 391 G CA -0.123 44.868 45.100 -0.183 0.000 0.661 391 G HN 0.788 nan 8.290 nan 0.000 0.518 392 A N 0.765 123.344 122.820 -0.401 0.000 2.425 392 A HA 0.633 4.953 4.320 -0.000 0.000 0.242 392 A C -1.159 176.344 177.584 -0.134 0.000 1.077 392 A CA -0.245 51.596 52.037 -0.326 0.000 0.781 392 A CB 0.042 19.035 19.000 -0.011 0.000 1.020 392 A HN 0.328 nan 8.150 nan 0.000 0.494 393 P HA 0.211 nan 4.420 nan 0.000 0.282 393 P C -0.916 176.363 177.300 -0.035 0.000 1.262 393 P CA 0.032 63.133 63.100 0.002 0.000 0.773 393 P CB 0.420 32.179 31.700 0.098 0.000 0.879 394 H N 4.897 124.063 119.070 0.161 0.000 2.668 394 H HA 0.205 4.761 4.556 -0.000 0.000 0.303 394 H C -1.988 173.389 175.328 0.083 0.000 1.074 394 H CA -1.712 54.432 56.048 0.161 0.000 1.406 394 H CB 0.659 30.575 29.762 0.256 0.000 1.442 394 H HN 0.316 nan 8.280 nan 0.000 0.482 395 P HA 0.158 nan 4.420 nan 0.000 0.295 395 P C -0.569 176.712 177.300 -0.030 0.000 1.354 395 P CA -0.373 62.736 63.100 0.016 0.000 0.814 395 P CB 0.070 31.816 31.700 0.077 0.000 0.935 396 F N 3.011 122.826 119.950 -0.224 0.000 2.375 396 F HA 0.367 4.894 4.527 -0.000 0.000 0.333 396 F C 1.172 176.904 175.800 -0.112 0.000 1.104 396 F CA 0.383 58.196 58.000 -0.312 0.000 1.149 396 F CB 0.822 39.398 39.000 -0.707 0.000 1.190 396 F HN 0.397 nan 8.300 nan 0.000 0.533 397 H N 3.265 122.243 119.070 -0.153 0.000 2.589 397 H HA 0.568 5.124 4.556 -0.000 0.000 0.351 397 H C -1.859 173.479 175.328 0.016 0.000 1.074 397 H CA -1.059 54.987 56.048 -0.004 0.000 1.203 397 H CB 1.561 31.324 29.762 0.002 0.000 1.558 397 H HN 0.531 nan 8.280 nan 0.000 0.522 398 L N 5.840 126.919 121.223 -0.240 0.000 2.305 398 L HA 0.350 4.690 4.340 -0.000 0.000 0.284 398 L C -0.648 175.982 176.870 -0.401 0.000 1.013 398 L CA -0.233 54.482 54.840 -0.208 0.000 0.819 398 L CB 0.624 42.657 42.059 -0.044 0.000 1.227 398 L HN 0.780 nan 8.230 nan 0.000 0.417 399 H N 3.651 122.507 119.070 -0.356 0.000 2.607 399 H HA 0.306 4.862 4.556 -0.000 0.000 0.367 399 H C 0.934 176.100 175.328 -0.270 0.000 1.181 399 H CA 0.455 56.403 56.048 -0.166 0.000 1.402 399 H CB 1.025 30.885 29.762 0.163 0.000 1.474 399 H HN 0.947 nan 8.280 nan 0.000 0.596 400 G N 1.184 109.727 108.800 -0.430 0.000 2.184 400 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.264 400 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.264 400 G C -0.025 174.223 174.900 -1.086 0.000 0.975 400 G CA 0.321 44.609 45.100 -1.354 0.000 0.642 400 G HN 0.804 nan 8.290 nan 0.000 0.536 401 H N -1.681 117.196 119.070 -0.321 0.000 3.064 401 H HA 0.474 5.030 4.556 -0.000 0.000 0.352 401 H C -0.069 175.243 175.328 -0.027 0.000 1.260 401 H CA 0.008 55.845 56.048 -0.351 0.000 1.160 401 H CB 1.798 31.292 29.762 -0.446 0.000 1.879 401 H HN 0.648 nan 8.280 nan 0.000 0.544 402 V N 0.147 120.162 119.914 0.169 0.000 2.837 402 V HA 0.730 4.850 4.120 -0.000 0.000 0.310 402 V C -0.314 175.958 176.094 0.297 0.000 1.059 402 V CA -0.649 61.747 62.300 0.160 0.000 1.004 402 V CB 0.970 32.981 31.823 0.313 0.000 1.045 402 V HN 0.550 nan 8.190 nan 0.000 0.465 403 F N 0.009 120.102 119.950 0.238 0.000 2.599 403 F HA 0.955 5.481 4.527 -0.000 0.000 0.311 403 F C -0.019 175.455 175.800 -0.543 0.000 1.076 403 F CA -1.434 56.523 58.000 -0.072 0.000 0.937 403 F CB 1.126 40.093 39.000 -0.056 0.000 1.282 403 F HN 0.801 nan 8.300 nan 0.000 0.460 404 A N 1.495 123.725 122.820 -0.983 0.000 2.362 404 A HA 0.589 4.908 4.320 -0.000 0.000 0.276 404 A C -0.599 176.826 177.584 -0.264 0.000 1.153 404 A CA -0.622 50.772 52.037 -1.071 0.000 0.813 404 A CB 0.303 18.581 19.000 -1.203 0.000 1.081 404 A HN 0.753 nan 8.150 nan 0.000 0.507 405 V N 5.194 125.023 119.914 -0.141 0.000 2.313 405 V HA 0.020 4.140 4.120 -0.000 0.000 0.252 405 V C 1.366 177.395 176.094 -0.108 0.000 1.112 405 V CA 0.001 62.287 62.300 -0.023 0.000 0.984 405 V CB 0.274 32.116 31.823 0.031 0.000 1.157 405 V HN 0.771 nan 8.190 nan 0.000 0.493 406 V N 3.968 123.806 119.914 -0.127 0.000 2.427 406 V HA -0.053 4.067 4.120 -0.000 0.000 0.248 406 V C 1.269 177.206 176.094 -0.263 0.000 1.051 406 V CA 1.615 63.794 62.300 -0.201 0.000 1.048 406 V CB -0.297 31.420 31.823 -0.176 0.000 0.666 406 V HN 0.813 nan 8.190 nan 0.000 0.456 407 R N -0.287 120.060 120.500 -0.255 0.000 2.502 407 R HA 0.449 4.789 4.340 -0.000 0.000 0.300 407 R C -0.788 175.385 176.300 -0.211 0.000 0.984 407 R CA -0.138 55.735 56.100 -0.379 0.000 0.882 407 R CB 1.815 31.680 30.300 -0.725 0.000 1.180 407 R HN 0.257 nan 8.270 nan 0.000 0.444 408 S N 1.721 117.319 115.700 -0.171 0.000 2.687 408 S HA 0.555 5.025 4.470 -0.000 0.000 0.283 408 S C -0.327 174.215 174.600 -0.096 0.000 1.170 408 S CA -0.552 57.585 58.200 -0.104 0.000 1.008 408 S CB 1.614 64.772 63.200 -0.070 0.000 1.026 408 S HN 0.754 nan 8.310 nan 0.000 0.541 409 A N 0.447 123.223 122.820 -0.073 0.000 2.498 409 A HA 0.499 4.819 4.320 -0.000 0.000 0.239 409 A C 1.389 178.958 177.584 -0.025 0.000 1.068 409 A CA 0.321 52.328 52.037 -0.050 0.000 0.766 409 A CB -1.062 17.901 19.000 -0.062 0.000 1.003 409 A HN 1.816 nan 8.150 nan 0.000 0.497 410 G N 0.167 108.959 108.800 -0.014 0.000 2.148 410 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.254 410 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.254 410 G C 0.289 175.180 174.900 -0.016 0.000 0.981 410 G CA 0.803 45.903 45.100 -0.001 0.000 0.670 410 G HN 1.914 nan 8.290 nan 0.000 0.528 411 S N -1.306 114.367 115.700 -0.045 0.000 2.541 411 S HA 0.707 5.177 4.470 -0.000 0.000 0.280 411 S C 0.988 175.531 174.600 -0.096 0.000 1.112 411 S CA 0.889 59.052 58.200 -0.061 0.000 0.925 411 S CB 1.622 64.775 63.200 -0.078 0.000 1.067 411 S HN 1.086 nan 8.310 nan 0.000 0.479 412 T N -0.036 114.475 114.554 -0.072 0.000 3.069 412 T HA 0.263 4.612 4.350 -0.000 0.000 0.252 412 T C 0.739 175.386 174.700 -0.089 0.000 1.053 412 T CA 0.230 62.291 62.100 -0.066 0.000 0.964 412 T CB -0.332 68.540 68.868 0.007 0.000 1.005 412 T HN 0.650 nan 8.240 nan 0.000 0.532 413 S N 0.735 116.365 115.700 -0.117 0.000 2.632 413 S HA 0.606 5.075 4.470 -0.000 0.000 0.271 413 S C -1.152 173.281 174.600 -0.279 0.000 1.260 413 S CA -0.812 57.349 58.200 -0.065 0.000 1.010 413 S CB 0.312 63.504 63.200 -0.013 0.000 0.965 413 S HN 0.309 nan 8.310 nan 0.000 0.534 414 Y N 1.129 121.380 120.300 -0.082 0.000 2.328 414 Y HA 0.472 5.022 4.550 -0.000 0.000 0.337 414 Y C 0.268 175.965 175.900 -0.339 0.000 0.966 414 Y CA -0.913 57.035 58.100 -0.254 0.000 1.136 414 Y CB 1.323 39.642 38.460 -0.235 0.000 1.170 414 Y HN 0.736 nan 8.280 nan 0.000 0.470 415 N N 2.943 121.464 118.700 -0.299 0.000 2.501 415 N HA 0.153 4.893 4.740 -0.000 0.000 0.245 415 N C -0.936 174.400 175.510 -0.291 0.000 0.974 415 N CA -0.422 52.522 53.050 -0.177 0.000 0.941 415 N CB 0.332 38.793 38.487 -0.044 0.000 1.122 415 N HN 0.562 nan 8.380 nan 0.000 0.507 416 Y N 0.872 121.239 120.300 0.111 0.000 2.485 416 Y HA 0.280 4.830 4.550 -0.000 0.000 0.260 416 Y C 0.990 176.954 175.900 0.106 0.000 1.173 416 Y CA -0.354 57.805 58.100 0.099 0.000 1.252 416 Y CB 0.719 39.227 38.460 0.081 0.000 1.123 416 Y HN 0.441 nan 8.280 nan 0.000 0.524 417 D N -0.118 120.403 120.400 0.202 0.000 2.566 417 D HA -0.040 4.600 4.640 -0.000 0.000 0.253 417 D C 0.418 176.822 176.300 0.172 0.000 0.992 417 D CA 1.174 55.275 54.000 0.168 0.000 0.940 417 D CB 0.219 41.090 40.800 0.119 0.000 1.095 417 D HN 0.398 nan 8.370 nan 0.000 0.480 418 D N -0.164 120.339 120.400 0.172 0.000 3.007 418 D HA 0.130 4.769 4.640 -0.000 0.000 0.363 418 D C -2.788 173.718 176.300 0.343 0.000 1.474 418 D CA -1.236 52.902 54.000 0.230 0.000 0.767 418 D CB 0.529 41.405 40.800 0.128 0.000 1.227 418 D HN 0.041 nan 8.370 nan 0.000 0.471 419 P HA 0.035 nan 4.420 nan 0.000 0.272 419 P C 0.638 178.020 177.300 0.137 0.000 1.223 419 P CA -0.493 62.683 63.100 0.126 0.000 0.784 419 P CB 1.499 33.180 31.700 -0.032 0.000 0.923 420 V N 3.109 123.053 119.914 0.050 0.000 2.814 420 V HA -0.069 4.050 4.120 -0.000 0.000 0.307 420 V C -0.553 175.565 176.094 0.039 0.000 1.089 420 V CA 0.460 62.808 62.300 0.080 0.000 1.212 420 V CB -0.681 31.145 31.823 0.006 0.000 0.912 420 V HN 0.430 nan 8.190 nan 0.000 0.497 421 W N 7.445 128.746 121.300 0.002 0.000 2.478 421 W HA 0.753 5.412 4.660 -0.000 0.000 0.318 421 W C 0.379 176.802 176.519 -0.160 0.000 1.062 421 W CA -0.489 56.826 57.345 -0.049 0.000 1.210 421 W CB 1.061 30.521 29.460 0.001 0.000 1.325 421 W HN 0.743 nan 8.180 nan 0.000 0.496 422 R N 0.633 120.999 120.500 -0.224 0.000 3.014 422 R HA 0.509 4.849 4.340 -0.000 0.000 0.262 422 R C -0.634 175.208 176.300 -0.764 0.000 1.066 422 R CA -0.532 55.366 56.100 -0.336 0.000 0.939 422 R CB 0.928 31.085 30.300 -0.238 0.000 1.372 422 R HN 0.350 nan 8.270 nan 0.000 0.431 423 D N -0.892 119.236 120.400 -0.453 0.000 2.502 423 D HA 0.206 4.846 4.640 -0.000 0.000 0.232 423 D C -0.448 176.010 176.300 0.262 0.000 1.137 423 D CA -0.053 53.783 54.000 -0.273 0.000 0.827 423 D CB 0.959 41.800 40.800 0.068 0.000 1.141 423 D HN 0.150 nan 8.370 nan 0.000 0.517 424 V N 0.865 120.889 119.914 0.183 0.000 2.638 424 V HA 0.633 4.753 4.120 -0.000 0.000 0.306 424 V C -1.057 175.152 176.094 0.192 0.000 1.052 424 V CA -1.085 61.383 62.300 0.280 0.000 0.885 424 V CB 2.343 34.240 31.823 0.123 0.000 0.999 424 V HN 0.058 nan 8.190 nan 0.000 0.424 425 V N 3.904 123.918 119.914 0.168 0.000 2.686 425 V HA 0.584 4.704 4.120 -0.000 0.000 0.306 425 V C 0.100 176.091 176.094 -0.172 0.000 1.065 425 V CA -0.211 62.102 62.300 0.021 0.000 0.894 425 V CB 2.453 34.345 31.823 0.114 0.000 1.004 425 V HN 0.989 nan 8.190 nan 0.000 0.424 426 S N 3.593 119.045 115.700 -0.413 0.000 2.533 426 S HA 0.128 4.597 4.470 -0.000 0.000 0.282 426 S C 1.249 175.683 174.600 -0.277 0.000 1.304 426 S CA 0.423 58.258 58.200 -0.608 0.000 1.063 426 S CB 0.886 63.292 63.200 -1.324 0.000 0.881 426 S HN 1.239 nan 8.310 nan 0.000 0.493 427 T N 2.325 116.811 114.554 -0.113 0.000 3.144 427 T HA 0.482 4.832 4.350 -0.000 0.000 0.249 427 T C 1.233 175.968 174.700 0.058 0.000 1.089 427 T CA 0.360 62.464 62.100 0.007 0.000 0.989 427 T CB -0.884 68.079 68.868 0.158 0.000 0.992 427 T HN 1.464 nan 8.240 nan 0.000 0.540 428 G N 1.571 110.367 108.800 -0.007 0.000 2.562 428 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.250 428 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.250 428 G C -0.117 174.835 174.900 0.087 0.000 1.269 428 G CA 0.059 45.175 45.100 0.027 0.000 0.919 428 G HN 1.484 nan 8.290 nan 0.000 0.574 429 T N -2.333 112.269 114.554 0.079 0.000 2.903 429 T HA 0.760 5.109 4.350 -0.000 0.000 0.299 429 T C -1.523 173.226 174.700 0.082 0.000 1.093 429 T CA -0.535 61.617 62.100 0.087 0.000 1.002 429 T CB 3.086 71.991 68.868 0.062 0.000 1.127 429 T HN 0.520 nan 8.240 nan 0.000 0.488 430 P HA -0.049 nan 4.420 nan 0.000 0.221 430 P C 1.190 178.519 177.300 0.049 0.000 1.150 430 P CA 0.943 64.086 63.100 0.073 0.000 0.800 430 P CB 0.193 31.942 31.700 0.082 0.000 0.787 431 Q N 0.561 120.387 119.800 0.044 0.000 2.135 431 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 431 Q C 2.231 178.248 176.000 0.029 0.000 0.981 431 Q CA 2.145 57.967 55.803 0.032 0.000 0.856 431 Q CB -1.274 27.481 28.738 0.028 0.000 0.902 431 Q HN 0.256 nan 8.270 nan 0.000 0.425 432 A N -0.660 122.179 122.820 0.032 0.000 2.251 432 A HA 0.409 4.729 4.320 -0.000 0.000 0.209 432 A C 1.350 178.947 177.584 0.023 0.000 1.187 432 A CA 0.525 52.578 52.037 0.026 0.000 0.823 432 A CB -0.506 18.509 19.000 0.025 0.000 0.846 432 A HN 0.387 nan 8.150 nan 0.000 0.486 433 G N 0.427 109.244 108.800 0.028 0.000 2.273 433 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.280 433 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.280 433 G C -0.373 174.538 174.900 0.019 0.000 1.047 433 G CA 0.283 45.399 45.100 0.025 0.000 0.869 433 G HN 0.483 nan 8.290 nan 0.000 0.502 434 D N -0.187 120.226 120.400 0.022 0.000 2.423 434 D HA 0.270 4.909 4.640 -0.000 0.000 0.238 434 D C 0.592 176.895 176.300 0.005 0.000 1.142 434 D CA 0.352 54.356 54.000 0.008 0.000 0.884 434 D CB 0.703 41.514 40.800 0.019 0.000 1.199 434 D HN 0.213 nan 8.370 nan 0.000 0.438 435 N N 1.752 120.442 118.700 -0.016 0.000 2.726 435 N HA 0.087 4.827 4.740 -0.000 0.000 0.253 435 N C -1.440 174.058 175.510 -0.021 0.000 1.530 435 N CA -0.327 52.717 53.050 -0.010 0.000 0.772 435 N CB 0.429 38.929 38.487 0.021 0.000 1.220 435 N HN -0.021 nan 8.380 nan 0.000 0.508 436 V N 1.437 121.352 119.914 0.000 0.000 2.599 436 V HA 0.216 4.336 4.120 -0.000 0.000 0.300 436 V C 0.447 176.587 176.094 0.077 0.000 1.034 436 V CA 0.515 62.815 62.300 -0.001 0.000 1.115 436 V CB 0.938 32.753 31.823 -0.013 0.000 0.934 436 V HN 0.452 nan 8.190 nan 0.000 0.485 437 T N 6.517 121.086 114.554 0.024 0.000 2.879 437 T HA 0.625 4.975 4.350 -0.000 0.000 0.290 437 T C -0.399 174.316 174.700 0.026 0.000 0.993 437 T CA -0.267 61.863 62.100 0.049 0.000 0.975 437 T CB 1.148 70.077 68.868 0.102 0.000 0.981 437 T HN 0.653 nan 8.240 nan 0.000 0.439 438 I N 0.020 120.610 120.570 0.033 0.000 2.846 438 I HA 0.850 5.020 4.170 -0.000 0.000 0.307 438 I C -0.859 175.278 176.117 0.032 0.000 1.053 438 I CA -1.196 60.106 61.300 0.004 0.000 1.050 438 I CB 2.026 39.920 38.000 -0.177 0.000 1.239 438 I HN 0.253 nan 8.210 nan 0.000 0.439 439 R N 3.673 124.195 120.500 0.037 0.000 2.686 439 R HA 0.676 5.016 4.340 -0.000 0.000 0.283 439 R C -1.613 174.767 176.300 0.133 0.000 0.978 439 R CA -0.559 55.553 56.100 0.020 0.000 0.897 439 R CB 2.416 32.714 30.300 -0.004 0.000 1.192 439 R HN 0.821 nan 8.270 nan 0.000 0.457 440 F N -0.957 118.995 119.950 0.002 0.000 2.711 440 F HA 0.499 5.026 4.527 -0.000 0.000 0.313 440 F C -1.060 174.799 175.800 0.099 0.000 1.141 440 F CA -1.315 56.755 58.000 0.117 0.000 0.941 440 F CB 1.281 40.333 39.000 0.086 0.000 1.349 440 F HN 0.218 nan 8.300 nan 0.000 0.464 441 Q N 1.554 121.504 119.800 0.250 0.000 2.282 441 Q HA 0.508 4.848 4.340 -0.000 0.000 0.260 441 Q C -0.604 175.527 176.000 0.218 0.000 0.964 441 Q CA -0.529 55.340 55.803 0.110 0.000 0.880 441 Q CB 1.740 30.572 28.738 0.155 0.000 1.286 441 Q HN 0.882 nan 8.270 nan 0.000 0.445 442 T N 0.598 115.225 114.554 0.121 0.000 2.916 442 T HA 0.281 4.631 4.350 -0.000 0.000 0.303 442 T C 0.057 174.897 174.700 0.233 0.000 1.025 442 T CA 0.057 62.312 62.100 0.258 0.000 1.142 442 T CB 0.520 69.499 68.868 0.184 0.000 0.947 442 T HN 0.784 nan 8.240 nan 0.000 0.544 443 D N 0.637 121.201 120.400 0.273 0.000 2.742 443 D HA -0.008 4.632 4.640 -0.000 0.000 0.302 443 D C -0.437 175.930 176.300 0.112 0.000 1.588 443 D CA -0.521 53.566 54.000 0.145 0.000 0.873 443 D CB -0.436 40.411 40.800 0.078 0.000 1.418 443 D HN 0.478 nan 8.370 nan 0.000 0.420 444 N N 1.249 120.065 118.700 0.194 0.000 2.751 444 N HA 0.297 5.037 4.740 -0.000 0.000 0.238 444 N C -3.121 172.664 175.510 0.458 0.000 1.351 444 N CA -0.975 52.195 53.050 0.199 0.000 0.751 444 N CB 1.779 40.177 38.487 -0.149 0.000 1.342 444 N HN -0.177 nan 8.380 nan 0.000 0.540 445 P HA 0.387 nan 4.420 nan 0.000 0.267 445 P C -0.005 177.420 177.300 0.208 0.000 1.205 445 P CA 0.417 63.672 63.100 0.259 0.000 0.765 445 P CB 0.774 32.563 31.700 0.149 0.000 0.828 446 G N 3.574 112.405 108.800 0.051 0.000 2.350 446 G HA2 0.239 4.199 3.960 -0.000 0.000 0.305 446 G HA3 0.239 4.199 3.960 -0.000 0.000 0.305 446 G C -3.471 171.056 174.900 -0.622 0.000 1.479 446 G CA -0.867 43.996 45.100 -0.395 0.000 0.949 446 G HN 0.232 nan 8.290 nan 0.000 0.651 447 P HA 0.456 nan 4.420 nan 0.000 0.287 447 P C -1.233 175.691 177.300 -0.628 0.000 1.281 447 P CA -0.123 62.725 63.100 -0.419 0.000 0.781 447 P CB 0.452 32.014 31.700 -0.230 0.000 0.903 448 W N 3.154 124.496 121.300 0.070 0.000 2.739 448 W HA 0.371 5.031 4.660 -0.000 0.000 0.331 448 W C -0.160 176.404 176.519 0.075 0.000 1.049 448 W CA -0.851 56.530 57.345 0.061 0.000 1.234 448 W CB 1.254 30.806 29.460 0.153 0.000 1.404 448 W HN 0.225 nan 8.180 nan 0.000 0.477 449 F N 3.939 123.839 119.950 -0.083 0.000 2.459 449 F HA 0.417 4.944 4.527 -0.000 0.000 0.346 449 F C -0.168 175.642 175.800 0.017 0.000 1.128 449 F CA -1.043 56.840 58.000 -0.195 0.000 1.268 449 F CB 0.778 39.422 39.000 -0.593 0.000 1.161 449 F HN 0.105 nan 8.300 nan 0.000 0.583 450 L N 5.994 127.321 121.223 0.173 0.000 2.441 450 L HA 0.438 4.778 4.340 -0.000 0.000 0.270 450 L C -1.447 175.391 176.870 -0.053 0.000 0.973 450 L CA -0.198 54.679 54.840 0.063 0.000 0.842 450 L CB 1.219 43.370 42.059 0.153 0.000 1.239 450 L HN 0.780 nan 8.230 nan 0.000 0.406 451 H N 1.588 120.503 119.070 -0.258 0.000 3.014 451 H HA 0.486 5.041 4.556 -0.000 0.000 0.337 451 H C -1.036 173.611 175.328 -1.134 0.000 1.320 451 H CA -0.968 54.686 56.048 -0.657 0.000 1.128 451 H CB 0.722 29.974 29.762 -0.850 0.000 1.862 451 H HN 0.701 nan 8.280 nan 0.000 0.536 452 C N 1.944 120.346 119.300 -1.496 0.000 2.637 452 C HA 0.097 4.557 4.460 -0.000 0.000 0.418 452 C C 1.262 176.078 174.990 -0.291 0.000 1.319 452 C CA 0.006 58.278 59.018 -1.243 0.000 1.949 452 C CB -0.884 26.285 27.740 -0.952 0.000 2.639 452 C HN 0.991 nan 8.230 nan 0.000 0.594 453 H N 4.119 123.061 119.070 -0.214 0.000 2.526 453 H HA 0.296 4.852 4.556 -0.000 0.000 0.274 453 H C 0.475 175.826 175.328 0.038 0.000 0.999 453 H CA 0.257 56.334 56.048 0.050 0.000 1.157 453 H CB 0.027 29.842 29.762 0.088 0.000 1.407 453 H HN 0.655 nan 8.280 nan 0.000 0.568 454 I N 1.570 122.173 120.570 0.055 0.000 2.421 454 I HA -0.106 4.064 4.170 -0.000 0.000 0.291 454 I C 1.440 177.462 176.117 -0.159 0.000 1.089 454 I CA 0.046 61.304 61.300 -0.070 0.000 1.354 454 I CB 0.775 38.575 38.000 -0.333 0.000 1.413 454 I HN 0.019 nan 8.210 nan 0.000 0.513 455 D N 4.984 125.207 120.400 -0.296 0.000 2.178 455 D HA -0.186 4.454 4.640 -0.000 0.000 0.201 455 D C 1.772 177.825 176.300 -0.412 0.000 0.980 455 D CA 1.749 55.458 54.000 -0.484 0.000 0.842 455 D CB 0.123 40.380 40.800 -0.905 0.000 0.948 455 D HN 0.469 nan 8.370 nan 0.000 0.472 456 F N -0.219 119.697 119.950 -0.057 0.000 2.269 456 F HA -0.049 4.478 4.527 -0.000 0.000 0.301 456 F C 2.331 178.380 175.800 0.414 0.000 1.082 456 F CA 1.073 59.151 58.000 0.129 0.000 1.360 456 F CB -0.689 38.438 39.000 0.211 0.000 1.041 456 F HN 0.270 nan 8.300 nan 0.000 0.512 457 H N -1.243 118.008 119.070 0.301 0.000 2.384 457 H HA -0.049 4.507 4.556 -0.000 0.000 0.300 457 H C 2.133 177.506 175.328 0.074 0.000 1.057 457 H CA 0.609 56.717 56.048 0.101 0.000 1.370 457 H CB -0.138 29.443 29.762 -0.302 0.000 1.417 457 H HN 0.154 nan 8.280 nan 0.000 0.527 458 L N 1.598 122.884 121.223 0.105 0.000 2.013 458 L HA -0.214 4.125 4.340 -0.000 0.000 0.212 458 L C 1.685 178.609 176.870 0.090 0.000 1.073 458 L CA 2.028 56.852 54.840 -0.027 0.000 0.753 458 L CB -0.522 41.385 42.059 -0.253 0.000 0.890 458 L HN 0.132 nan 8.230 nan 0.000 0.432 459 D N -0.813 119.653 120.400 0.109 0.000 2.264 459 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 459 D C 1.727 178.160 176.300 0.222 0.000 0.966 459 D CA 1.000 55.085 54.000 0.142 0.000 0.864 459 D CB 0.030 40.877 40.800 0.078 0.000 0.933 459 D HN 0.490 nan 8.370 nan 0.000 0.499 460 A N -1.001 122.029 122.820 0.350 0.000 2.337 460 A HA 0.529 4.849 4.320 -0.000 0.000 0.227 460 A C 1.562 179.372 177.584 0.376 0.000 1.259 460 A CA 0.576 52.870 52.037 0.429 0.000 0.870 460 A CB -0.364 19.119 19.000 0.806 0.000 0.927 460 A HN 0.329 nan 8.150 nan 0.000 0.497 461 G N -1.816 107.184 108.800 0.333 0.000 2.134 461 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.209 461 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.209 461 G C -0.088 175.057 174.900 0.408 0.000 0.993 461 G CA 0.014 45.318 45.100 0.340 0.000 0.669 461 G HN 0.477 nan 8.290 nan 0.000 0.519 462 F N 2.066 122.078 119.950 0.103 0.000 2.626 462 F HA 0.696 5.222 4.527 -0.000 0.000 0.353 462 F C 0.527 176.280 175.800 -0.078 0.000 1.230 462 F CA -0.851 57.137 58.000 -0.020 0.000 1.298 462 F CB -0.169 38.576 39.000 -0.426 0.000 1.670 462 F HN 0.741 nan 8.300 nan 0.000 0.633 463 A N 2.535 125.448 122.820 0.155 0.000 2.605 463 A HA 0.763 5.083 4.320 -0.000 0.000 0.294 463 A C -1.462 176.189 177.584 0.110 0.000 1.062 463 A CA -0.271 51.687 52.037 -0.132 0.000 0.682 463 A CB 1.326 19.910 19.000 -0.694 0.000 1.278 463 A HN 0.595 nan 8.150 nan 0.000 0.410 464 V N -1.821 118.155 119.914 0.104 0.000 3.167 464 V HA 0.953 5.073 4.120 -0.000 0.000 0.310 464 V C -0.945 175.351 176.094 0.337 0.000 1.207 464 V CA -0.886 61.613 62.300 0.333 0.000 1.059 464 V CB 1.537 33.590 31.823 0.384 0.000 1.079 464 V HN 1.080 nan 8.190 nan 0.000 0.446 465 V N 2.524 122.700 119.914 0.436 0.000 2.540 465 V HA 0.536 4.655 4.120 -0.000 0.000 0.302 465 V C -0.241 176.071 176.094 0.363 0.000 1.035 465 V CA -0.517 62.003 62.300 0.367 0.000 0.873 465 V CB 1.855 33.852 31.823 0.290 0.000 0.992 465 V HN 0.865 nan 8.190 nan 0.000 0.428 466 M N 4.102 123.896 119.600 0.323 0.000 2.077 466 M HA 0.454 4.934 4.480 -0.000 0.000 0.348 466 M C 0.225 176.693 176.300 0.281 0.000 1.252 466 M CA -0.278 55.222 55.300 0.334 0.000 1.096 466 M CB 0.970 33.792 32.600 0.370 0.000 1.568 466 M HN 0.709 nan 8.290 nan 0.000 0.456 467 A N 3.887 126.846 122.820 0.232 0.000 2.506 467 A HA 0.330 4.650 4.320 -0.000 0.000 0.320 467 A C 0.144 177.838 177.584 0.183 0.000 1.424 467 A CA -0.460 51.667 52.037 0.149 0.000 1.044 467 A CB -0.193 18.874 19.000 0.112 0.000 1.140 467 A HN 0.803 nan 8.150 nan 0.000 0.538 468 E N 2.768 123.104 120.200 0.227 0.000 2.167 468 E HA 0.269 4.618 4.350 -0.000 0.000 0.284 468 E C -0.609 176.118 176.600 0.211 0.000 1.016 468 E CA -0.379 56.200 56.400 0.297 0.000 0.817 468 E CB 0.433 30.451 29.700 0.531 0.000 1.080 468 E HN 0.622 nan 8.360 nan 0.000 0.397 469 D N 4.320 124.822 120.400 0.170 0.000 2.737 469 D HA -0.223 4.417 4.640 -0.000 0.000 0.238 469 D C 0.606 176.964 176.300 0.096 0.000 1.157 469 D CA 0.630 54.707 54.000 0.128 0.000 0.694 469 D CB -1.032 39.852 40.800 0.141 0.000 1.021 469 D HN 0.672 nan 8.370 nan 0.000 0.420 470 I N 0.042 120.661 120.570 0.082 0.000 2.185 470 I HA -0.250 3.920 4.170 -0.000 0.000 0.246 470 I C -0.528 175.617 176.117 0.047 0.000 1.088 470 I CA 1.349 62.683 61.300 0.057 0.000 1.347 470 I CB -0.935 37.096 38.000 0.052 0.000 1.041 470 I HN 0.288 nan 8.210 nan 0.000 0.415 471 P HA -0.103 nan 4.420 nan 0.000 0.221 471 P C 0.812 178.137 177.300 0.041 0.000 1.145 471 P CA 1.285 64.409 63.100 0.041 0.000 0.795 471 P CB -0.024 31.701 31.700 0.041 0.000 0.775 472 N N -2.594 116.136 118.700 0.051 0.000 2.205 472 N HA 0.060 4.800 4.740 -0.000 0.000 0.201 472 N C 1.184 176.722 175.510 0.046 0.000 1.128 472 N CA 0.385 53.465 53.050 0.051 0.000 0.867 472 N CB -0.336 38.189 38.487 0.064 0.000 0.996 472 N HN 0.004 nan 8.380 nan 0.000 0.503 473 T N 0.129 114.705 114.554 0.037 0.000 2.708 473 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 473 T C 2.050 176.752 174.700 0.002 0.000 1.037 473 T CA 1.088 63.197 62.100 0.014 0.000 1.146 473 T CB 0.016 68.879 68.868 -0.008 0.000 0.865 473 T HN -0.056 nan 8.240 nan 0.000 0.435 474 V N 2.355 122.273 119.914 0.006 0.000 2.307 474 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 474 V C 2.388 178.485 176.094 0.004 0.000 1.045 474 V CA 1.454 63.753 62.300 -0.002 0.000 1.024 474 V CB -0.554 31.273 31.823 0.006 0.000 0.651 474 V HN 0.432 nan 8.190 nan 0.000 0.449 475 N N 0.565 119.275 118.700 0.017 0.000 2.244 475 N HA -0.067 4.673 4.740 -0.000 0.000 0.183 475 N C 1.734 177.263 175.510 0.033 0.000 1.016 475 N CA 1.511 54.575 53.050 0.023 0.000 0.866 475 N CB -0.342 38.161 38.487 0.027 0.000 0.980 475 N HN 0.502 nan 8.380 nan 0.000 0.430 476 A N 0.185 123.030 122.820 0.042 0.000 2.067 476 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 476 A C 0.715 178.341 177.584 0.070 0.000 1.156 476 A CA 0.632 52.706 52.037 0.061 0.000 0.683 476 A CB 0.102 19.149 19.000 0.078 0.000 0.808 476 A HN 0.165 nan 8.150 nan 0.000 0.455 477 N N 1.020 119.750 118.700 0.050 0.000 2.757 477 N HA 0.217 4.956 4.740 -0.000 0.000 0.296 477 N C -3.103 172.425 175.510 0.029 0.000 1.874 477 N CA -0.917 52.178 53.050 0.076 0.000 0.885 477 N CB 0.893 39.398 38.487 0.030 0.000 1.242 477 N HN 0.277 nan 8.380 nan 0.000 0.488 478 P HA 0.013 nan 4.420 nan 0.000 0.268 478 P C 0.107 177.289 177.300 -0.196 0.000 1.205 478 P CA -0.039 63.025 63.100 -0.061 0.000 0.771 478 P CB 1.044 32.730 31.700 -0.023 0.000 0.858 479 V N 0.583 120.290 119.914 -0.346 0.000 2.581 479 V HA 0.652 4.771 4.120 -0.000 0.000 0.303 479 V C -2.220 173.576 176.094 -0.498 0.000 1.041 479 V CA -2.551 59.323 62.300 -0.710 0.000 0.907 479 V CB 1.188 32.558 31.823 -0.755 0.000 0.994 479 V HN 0.437 nan 8.190 nan 0.000 0.442 480 P HA 0.253 nan 4.420 nan 0.000 0.277 480 P C 0.198 177.426 177.300 -0.120 0.000 1.240 480 P CA -0.212 62.669 63.100 -0.365 0.000 0.798 480 P CB 1.517 32.916 31.700 -0.502 0.000 0.979 481 Q N 2.482 122.247 119.800 -0.058 0.000 2.112 481 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 481 Q C 2.050 178.088 176.000 0.063 0.000 0.987 481 Q CA 2.626 58.435 55.803 0.011 0.000 0.858 481 Q CB -1.325 27.413 28.738 -0.000 0.000 0.905 481 Q HN 0.585 nan 8.270 nan 0.000 0.420 482 A N -0.742 122.124 122.820 0.076 0.000 1.948 482 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 482 A C 1.954 179.735 177.584 0.328 0.000 1.177 482 A CA 1.585 53.739 52.037 0.195 0.000 0.636 482 A CB -1.337 17.781 19.000 0.197 0.000 0.815 482 A HN 0.750 nan 8.150 nan 0.000 0.449 483 W N 1.047 122.440 121.300 0.156 0.000 2.381 483 W HA -0.133 4.526 4.660 -0.000 0.000 0.301 483 W C 2.300 178.787 176.519 -0.053 0.000 1.205 483 W CA 1.825 59.203 57.345 0.055 0.000 1.285 483 W CB -0.163 29.288 29.460 -0.016 0.000 1.133 483 W HN 0.285 nan 8.180 nan 0.000 0.521 484 S N 0.369 116.212 115.700 0.238 0.000 2.419 484 S HA -0.222 4.248 4.470 -0.000 0.000 0.233 484 S C 1.216 175.759 174.600 -0.095 0.000 1.016 484 S CA 1.652 59.895 58.200 0.073 0.000 0.974 484 S CB -0.647 62.639 63.200 0.144 0.000 0.786 484 S HN 0.469 nan 8.310 nan 0.000 0.492 485 N N 0.710 119.372 118.700 -0.064 0.000 2.463 485 N HA 0.175 4.915 4.740 -0.000 0.000 0.181 485 N C 1.344 176.773 175.510 -0.135 0.000 1.078 485 N CA 0.155 53.164 53.050 -0.068 0.000 0.902 485 N CB -0.082 38.401 38.487 -0.006 0.000 0.970 485 N HN 0.294 nan 8.380 nan 0.000 0.451 486 L N 0.034 121.092 121.223 -0.275 0.000 2.056 486 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 486 L C 2.181 178.918 176.870 -0.221 0.000 1.078 486 L CA 0.905 55.558 54.840 -0.312 0.000 0.749 486 L CB -0.334 41.374 42.059 -0.585 0.000 0.901 486 L HN 0.345 nan 8.230 nan 0.000 0.433 487 c N -0.323 118.111 118.600 -0.277 0.000 2.476 487 c HA -0.041 4.529 4.570 -0.000 0.000 0.278 487 c C 0.324 174.401 174.090 -0.020 0.000 1.274 487 c CA 0.380 56.631 56.329 -0.130 0.000 1.713 487 c CB -1.481 40.922 42.510 -0.177 0.000 2.039 487 c HN 0.336 nan 8.230 nan 0.000 0.484 488 P HA -0.114 nan 4.420 nan 0.000 0.216 488 P C 1.550 178.847 177.300 -0.005 0.000 1.153 488 P CA 2.024 65.111 63.100 -0.022 0.000 0.858 488 P CB -0.272 31.410 31.700 -0.031 0.000 0.789 489 T N -1.804 112.746 114.554 -0.005 0.000 2.737 489 T HA -0.196 4.154 4.350 -0.000 0.000 0.265 489 T C 1.656 176.376 174.700 0.033 0.000 1.038 489 T CA 1.221 63.328 62.100 0.010 0.000 1.144 489 T CB -1.094 67.781 68.868 0.011 0.000 0.866 489 T HN 0.092 nan 8.240 nan 0.000 0.434 490 Y N 2.202 122.467 120.300 -0.057 0.000 2.181 490 Y HA -0.147 4.403 4.550 -0.000 0.000 0.288 490 Y C 2.042 177.943 175.900 0.002 0.000 1.146 490 Y CA 1.409 59.491 58.100 -0.029 0.000 1.164 490 Y CB -0.322 38.108 38.460 -0.051 0.000 0.982 490 Y HN 0.153 nan 8.280 nan 0.000 0.515 491 D N -0.183 120.217 120.400 -0.001 0.000 2.269 491 D HA -0.040 4.600 4.640 -0.000 0.000 0.208 491 D C 1.939 178.171 176.300 -0.112 0.000 0.963 491 D CA 1.072 55.027 54.000 -0.074 0.000 0.864 491 D CB -0.138 40.687 40.800 0.043 0.000 0.936 491 D HN 0.482 nan 8.370 nan 0.000 0.505 492 A N 0.362 123.132 122.820 -0.084 0.000 2.208 492 A HA 0.085 4.405 4.320 -0.000 0.000 0.209 492 A C 1.202 178.731 177.584 -0.091 0.000 1.161 492 A CA -0.015 51.980 52.037 -0.069 0.000 0.782 492 A CB -0.174 18.802 19.000 -0.039 0.000 0.816 492 A HN 0.123 nan 8.150 nan 0.000 0.477 493 L N 0.435 121.570 121.223 -0.147 0.000 2.452 493 L HA 0.133 4.473 4.340 -0.000 0.000 0.267 493 L C 0.911 177.700 176.870 -0.135 0.000 1.188 493 L CA -0.423 54.334 54.840 -0.139 0.000 0.821 493 L CB 0.412 42.354 42.059 -0.195 0.000 1.102 493 L HN 0.309 nan 8.230 nan 0.000 0.470 494 E N 2.932 123.079 120.200 -0.088 0.000 2.392 494 E HA 0.024 4.373 4.350 -0.000 0.000 0.264 494 E C -1.731 174.819 176.600 -0.082 0.000 1.024 494 E CA -1.432 54.923 56.400 -0.074 0.000 0.903 494 E CB 1.333 31.002 29.700 -0.052 0.000 0.963 494 E HN 0.313 nan 8.360 nan 0.000 0.432 495 P HA -0.181 nan 4.420 nan 0.000 0.217 495 P C 1.155 178.444 177.300 -0.019 0.000 1.148 495 P CA 1.573 64.643 63.100 -0.051 0.000 0.828 495 P CB 0.109 31.788 31.700 -0.034 0.000 0.783 496 S N -2.334 113.350 115.700 -0.027 0.000 2.555 496 S HA -0.011 4.459 4.470 -0.000 0.000 0.230 496 S C 1.426 176.031 174.600 0.009 0.000 0.978 496 S CA 0.639 58.825 58.200 -0.023 0.000 0.934 496 S CB -0.862 62.288 63.200 -0.084 0.000 0.766 496 S HN 0.074 nan 8.310 nan 0.000 0.533 497 N N 1.101 119.802 118.700 0.002 0.000 2.184 497 N HA 0.256 4.996 4.740 -0.000 0.000 0.206 497 N C -0.067 175.469 175.510 0.044 0.000 1.151 497 N CA 0.004 53.069 53.050 0.025 0.000 0.878 497 N CB 0.436 38.923 38.487 -0.000 0.000 1.014 497 N HN 0.637 nan 8.380 nan 0.000 0.512 498 E N 0.000 120.224 120.200 0.041 0.000 2.725 498 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 498 E CA 0.000 56.469 56.400 0.115 0.000 0.976 498 E CB 0.000 29.764 29.700 0.107 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440