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 2h5u_1_A DATA FIRST_RESID 1 DATA SEQUENCE GVGPVADNTI TNAATSPDGF SRQAVVVNGV TPGPLVAGNI GDRFQLNVID DATA SEQUENCE NLTNHTMLKT TSVHWHGFFQ QGTNWADGPA FINQcPISPG HSFLYDFQVP DATA SEQUENCE NQAGTFWYHS HLSTQYcDGL RGPFVVYDPN DPHASRYDVD NDDTTITLAD DATA SEQUENCE WYHTAAKLGP AFPNGADSTL INGKGRAPSD SSAQLSVVSV TKGKRXRFRL DATA SEQUENCE VSLScDPNFT FSIDGHNNTI IETDSVNSQP LNTDSIQIFA AQRYSFTLNA DATA SEQUENCE NQAVDNYWIR ANPNFGNVGF NGGINSAILR YDGAPAVEPT TNQSTSTQPL DATA SEQUENCE NETNLHPLVS TPVPGSPAAG GVDKAINMAF NFNGSNFFIN GASFTPPSVP DATA SEQUENCE VLLQILSGAQ TAQDLLPSGS VXTLPSNASI EISFPATAAA PGAPHPFHLH DATA SEQUENCE GHVFAVVRSA GSTVYNYSNP IFRDVVSTGT PAAGDNVTIR FLTNNPGPWF DATA SEQUENCE LHCHIDFHLE GGFAVVQAED VPDVKATNPV PQAWSDLcPT YDANAPSDQ 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 1 G C 0.000 174.910 174.900 0.016 0.000 0.946 1 G CA 0.000 45.128 45.100 0.047 0.000 0.502 2 V N -0.198 119.716 119.914 0.000 0.000 2.966 2 V HA 0.913 5.032 4.120 -0.001 0.000 0.317 2 V C 0.816 176.867 176.094 -0.071 0.000 1.070 2 V CA 0.248 62.530 62.300 -0.029 0.000 1.008 2 V CB 0.624 32.435 31.823 -0.020 0.000 1.070 2 V HN 2.474 nan 8.190 nan 0.000 0.457 3 G N 2.656 111.404 108.800 -0.087 0.000 2.685 3 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.387 3 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.387 3 G C -1.563 173.243 174.900 -0.157 0.000 1.324 3 G CA -0.136 44.889 45.100 -0.124 0.000 0.878 3 G HN 0.838 nan 8.290 nan 0.000 0.527 4 P HA 0.094 nan 4.420 nan 0.000 0.222 4 P C 0.646 177.753 177.300 -0.322 0.000 1.147 4 P CA 1.173 63.970 63.100 -0.505 0.000 0.790 4 P CB 0.110 31.144 31.700 -1.109 0.000 0.780 5 V N 0.510 120.279 119.914 -0.241 0.000 2.357 5 V HA 0.699 4.818 4.120 -0.001 0.000 0.284 5 V C 0.166 176.193 176.094 -0.111 0.000 1.018 5 V CA -0.538 61.660 62.300 -0.170 0.000 0.841 5 V CB 0.792 32.521 31.823 -0.157 0.000 0.991 5 V HN 0.231 nan 8.190 nan 0.000 0.437 6 A N 3.707 126.478 122.820 -0.082 0.000 2.608 6 A HA 0.697 5.017 4.320 -0.001 0.000 0.292 6 A C -1.640 175.939 177.584 -0.008 0.000 1.066 6 A CA -0.759 51.250 52.037 -0.045 0.000 0.676 6 A CB 1.454 20.423 19.000 -0.052 0.000 1.277 6 A HN 0.592 nan 8.150 nan 0.000 0.413 7 D N 1.691 122.100 120.400 0.015 0.000 2.264 7 D HA 0.379 5.018 4.640 -0.001 0.000 0.250 7 D C -0.794 175.547 176.300 0.068 0.000 1.113 7 D CA 0.213 54.243 54.000 0.051 0.000 0.871 7 D CB 0.968 41.798 40.800 0.050 0.000 1.167 7 D HN 0.364 nan 8.370 nan 0.000 0.447 8 N N 1.109 119.875 118.700 0.110 0.000 2.558 8 N HA 0.184 4.923 4.740 -0.001 0.000 0.242 8 N C -0.840 174.762 175.510 0.154 0.000 0.979 8 N CA -0.283 52.843 53.050 0.128 0.000 0.931 8 N CB 1.233 39.809 38.487 0.148 0.000 1.122 8 N HN 0.098 nan 8.380 nan 0.000 0.508 9 T N 3.074 117.708 114.554 0.133 0.000 2.743 9 T HA 0.380 4.730 4.350 -0.001 0.000 0.293 9 T C 0.595 175.383 174.700 0.147 0.000 0.945 9 T CA -0.370 61.809 62.100 0.132 0.000 1.030 9 T CB 0.690 69.621 68.868 0.105 0.000 0.912 9 T HN 0.164 nan 8.240 nan 0.000 0.483 10 I N 4.882 125.547 120.570 0.158 0.000 2.321 10 I HA 0.435 4.604 4.170 -0.001 0.000 0.291 10 I C 0.871 177.075 176.117 0.145 0.000 0.998 10 I CA -0.618 60.781 61.300 0.165 0.000 1.227 10 I CB 0.541 38.651 38.000 0.183 0.000 1.368 10 I HN 0.721 nan 8.210 nan 0.000 0.466 11 T N 2.396 117.034 114.554 0.140 0.000 2.841 11 T HA 0.535 4.884 4.350 -0.001 0.000 0.296 11 T C -0.487 174.291 174.700 0.130 0.000 1.166 11 T CA -1.065 61.110 62.100 0.124 0.000 1.007 11 T CB 1.585 70.517 68.868 0.107 0.000 1.253 11 T HN 0.431 nan 8.240 nan 0.000 0.511 12 N N 0.089 118.860 118.700 0.119 0.000 2.479 12 N HA 0.673 5.413 4.740 -0.001 0.000 0.285 12 N C -0.719 174.858 175.510 0.111 0.000 1.075 12 N CA -0.627 52.495 53.050 0.121 0.000 0.967 12 N CB 1.500 40.053 38.487 0.111 0.000 1.137 12 N HN 1.020 nan 8.380 nan 0.000 0.472 13 A N 0.767 123.660 122.820 0.123 0.000 2.606 13 A HA 0.793 5.112 4.320 -0.001 0.000 0.293 13 A C -1.133 176.523 177.584 0.120 0.000 1.082 13 A CA -0.854 51.248 52.037 0.108 0.000 0.685 13 A CB 1.002 20.062 19.000 0.101 0.000 1.284 13 A HN 0.670 nan 8.150 nan 0.000 0.408 14 A N 1.011 123.889 122.820 0.096 0.000 2.409 14 A HA 0.648 4.967 4.320 -0.001 0.000 0.267 14 A C 0.532 178.175 177.584 0.099 0.000 1.127 14 A CA 0.676 52.771 52.037 0.097 0.000 0.795 14 A CB -0.501 18.535 19.000 0.059 0.000 1.061 14 A HN 1.968 nan 8.150 nan 0.000 0.502 15 T N -0.808 113.827 114.554 0.135 0.000 2.896 15 T HA 0.707 5.056 4.350 -0.001 0.000 0.297 15 T C -0.390 174.378 174.700 0.113 0.000 1.108 15 T CA -0.086 62.073 62.100 0.099 0.000 1.004 15 T CB 1.646 70.561 68.868 0.077 0.000 1.159 15 T HN 1.337 nan 8.240 nan 0.000 0.499 16 S N 0.401 116.128 115.700 0.044 0.000 2.204 16 S HA 0.384 4.853 4.470 -0.001 0.000 0.147 16 S C -2.069 172.523 174.600 -0.013 0.000 1.711 16 S CA -0.973 57.266 58.200 0.064 0.000 1.274 16 S CB 0.891 64.120 63.200 0.047 0.000 1.257 16 S HN 0.633 nan 8.310 nan 0.000 0.404 17 P HA 0.005 nan 4.420 nan 0.000 0.226 17 P C 0.180 177.420 177.300 -0.100 0.000 1.153 17 P CA 1.174 64.135 63.100 -0.232 0.000 0.777 17 P CB -0.081 31.261 31.700 -0.596 0.000 0.794 18 D N -2.680 117.734 120.400 0.022 0.000 2.563 18 D HA 0.224 4.864 4.640 -0.001 0.000 0.237 18 D C 1.261 177.652 176.300 0.153 0.000 1.282 18 D CA -0.059 54.009 54.000 0.114 0.000 0.816 18 D CB -0.303 40.626 40.800 0.216 0.000 1.066 18 D HN 0.181 nan 8.370 nan 0.000 0.501 19 G N 0.363 109.233 108.800 0.117 0.000 2.199 19 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.254 19 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.254 19 G C -0.174 174.799 174.900 0.122 0.000 0.982 19 G CA 0.071 45.232 45.100 0.101 0.000 0.632 19 G HN 0.409 nan 8.290 nan 0.000 0.529 20 F N 2.906 122.855 119.950 -0.001 0.000 2.371 20 F HA 0.715 5.241 4.527 -0.001 0.000 0.363 20 F C 0.571 176.362 175.800 -0.014 0.000 1.122 20 F CA -0.512 57.428 58.000 -0.100 0.000 1.129 20 F CB 1.456 40.185 39.000 -0.451 0.000 1.173 20 F HN 0.069 nan 8.300 nan 0.000 0.489 21 S N 6.157 121.679 115.700 -0.297 0.000 2.510 21 S HA 0.578 5.047 4.470 -0.001 0.000 0.279 21 S C -0.363 174.161 174.600 -0.126 0.000 1.284 21 S CA -0.404 57.715 58.200 -0.135 0.000 1.059 21 S CB 0.014 63.129 63.200 -0.141 0.000 0.901 21 S HN 0.837 nan 8.310 nan 0.000 0.491 22 R N 3.023 123.615 120.500 0.153 0.000 2.710 22 R HA 0.455 4.794 4.340 -0.001 0.000 0.270 22 R C -1.566 174.867 176.300 0.222 0.000 1.021 22 R CA -0.930 55.298 56.100 0.213 0.000 0.889 22 R CB 0.365 30.904 30.300 0.397 0.000 1.243 22 R HN 0.368 nan 8.270 nan 0.000 0.464 23 Q N 0.643 120.546 119.800 0.173 0.000 2.313 23 Q HA 0.572 4.911 4.340 -0.001 0.000 0.266 23 Q C -0.592 175.532 176.000 0.206 0.000 0.989 23 Q CA 0.305 56.206 55.803 0.163 0.000 0.890 23 Q CB 1.623 30.432 28.738 0.117 0.000 1.200 23 Q HN 0.754 nan 8.270 nan 0.000 0.396 24 A N 2.106 125.066 122.820 0.233 0.000 2.532 24 A HA 0.649 4.968 4.320 -0.001 0.000 0.290 24 A C -0.952 176.767 177.584 0.225 0.000 1.143 24 A CA -0.668 51.539 52.037 0.283 0.000 0.728 24 A CB 1.419 20.717 19.000 0.496 0.000 1.317 24 A HN 0.395 nan 8.150 nan 0.000 0.414 25 V N 1.511 121.562 119.914 0.228 0.000 2.432 25 V HA 0.478 4.597 4.120 -0.001 0.000 0.271 25 V C 0.244 176.470 176.094 0.220 0.000 1.046 25 V CA -0.071 62.350 62.300 0.202 0.000 0.945 25 V CB 0.610 32.546 31.823 0.188 0.000 0.992 25 V HN 1.052 nan 8.190 nan 0.000 0.471 26 V N 3.710 123.739 119.914 0.190 0.000 2.960 26 V HA 0.834 4.953 4.120 -0.001 0.000 0.315 26 V C -0.544 175.659 176.094 0.182 0.000 1.087 26 V CA -0.799 61.609 62.300 0.180 0.000 0.982 26 V CB 2.213 34.124 31.823 0.148 0.000 1.039 26 V HN 0.428 nan 8.190 nan 0.000 0.437 27 V N 2.812 122.840 119.914 0.190 0.000 2.409 27 V HA 0.516 4.635 4.120 -0.001 0.000 0.291 27 V C 0.080 176.274 176.094 0.166 0.000 1.020 27 V CA -0.639 61.785 62.300 0.207 0.000 0.848 27 V CB 0.822 32.827 31.823 0.302 0.000 0.990 27 V HN 1.021 nan 8.190 nan 0.000 0.430 28 N N 3.982 122.766 118.700 0.139 0.000 2.707 28 N HA -0.227 4.512 4.740 -0.001 0.000 0.253 28 N C 1.242 176.810 175.510 0.096 0.000 0.998 28 N CA 1.669 54.784 53.050 0.108 0.000 0.751 28 N CB -1.100 37.446 38.487 0.099 0.000 0.920 28 N HN 1.555 nan 8.380 nan 0.000 0.539 29 G N -3.262 105.598 108.800 0.099 0.000 2.234 29 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.260 29 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.260 29 G C 0.089 175.038 174.900 0.083 0.000 0.987 29 G CA 0.917 46.068 45.100 0.085 0.000 0.625 29 G HN 1.400 nan 8.290 nan 0.000 0.532 30 V N -2.525 117.445 119.914 0.093 0.000 2.914 30 V HA 0.949 5.068 4.120 -0.001 0.000 0.314 30 V C -0.258 175.891 176.094 0.091 0.000 1.084 30 V CA 0.070 62.415 62.300 0.075 0.000 0.963 30 V CB 2.135 33.994 31.823 0.060 0.000 1.025 30 V HN 0.883 nan 8.190 nan 0.000 0.432 31 T N 4.235 118.819 114.554 0.050 0.000 2.881 31 T HA 0.664 5.013 4.350 -0.001 0.000 0.290 31 T C -2.636 172.032 174.700 -0.053 0.000 1.000 31 T CA -1.239 60.888 62.100 0.044 0.000 0.978 31 T CB 1.709 70.641 68.868 0.107 0.000 0.997 31 T HN 0.963 nan 8.240 nan 0.000 0.443 32 P HA 0.292 nan 4.420 nan 0.000 0.270 32 P C 0.551 177.894 177.300 0.071 0.000 1.223 32 P CA -0.220 62.901 63.100 0.036 0.000 0.785 32 P CB 0.185 31.886 31.700 0.002 0.000 0.923 33 G N 1.578 110.446 108.800 0.112 0.000 2.667 33 G HA2 0.301 4.260 3.960 -0.001 0.000 0.250 33 G HA3 0.301 4.260 3.960 -0.001 0.000 0.250 33 G C -2.274 172.765 174.900 0.232 0.000 1.212 33 G CA -0.869 44.364 45.100 0.221 0.000 0.874 33 G HN 0.438 nan 8.290 nan 0.000 0.561 34 P HA 0.095 nan 4.420 nan 0.000 0.272 34 P C -0.123 177.328 177.300 0.252 0.000 1.223 34 P CA -0.622 62.595 63.100 0.194 0.000 0.784 34 P CB 0.922 32.708 31.700 0.143 0.000 0.923 35 L N 3.185 124.511 121.223 0.170 0.000 2.534 35 L HA 0.060 4.400 4.340 -0.001 0.000 0.271 35 L C -0.536 176.392 176.870 0.096 0.000 1.178 35 L CA 0.240 55.180 54.840 0.167 0.000 0.907 35 L CB -0.102 42.031 42.059 0.123 0.000 1.164 35 L HN 0.052 nan 8.230 nan 0.000 0.482 36 V N 6.043 125.976 119.914 0.032 0.000 2.439 36 V HA 0.833 4.952 4.120 -0.001 0.000 0.282 36 V C 0.419 176.297 176.094 -0.360 0.000 1.039 36 V CA 0.109 62.228 62.300 -0.301 0.000 0.913 36 V CB 0.721 32.115 31.823 -0.715 0.000 0.983 36 V HN 1.064 nan 8.190 nan 0.000 0.460 37 A N 3.447 126.174 122.820 -0.155 0.000 2.556 37 A HA 1.044 5.363 4.320 -0.001 0.000 0.294 37 A C -0.109 177.606 177.584 0.218 0.000 1.091 37 A CA 0.013 52.102 52.037 0.087 0.000 0.704 37 A CB 2.198 21.348 19.000 0.249 0.000 1.300 37 A HN 1.289 nan 8.150 nan 0.000 0.406 38 G N 0.087 109.110 108.800 0.372 0.000 2.561 38 G HA2 0.546 4.505 3.960 -0.001 0.000 0.310 38 G HA3 0.546 4.505 3.960 -0.001 0.000 0.310 38 G C -1.955 173.138 174.900 0.323 0.000 1.292 38 G CA -0.661 44.578 45.100 0.232 0.000 0.811 38 G HN 0.714 nan 8.290 nan 0.000 0.482 39 N N -0.479 118.325 118.700 0.172 0.000 2.292 39 N HA 0.380 5.119 4.740 -0.001 0.000 0.303 39 N C -0.508 175.102 175.510 0.166 0.000 1.140 39 N CA -0.589 52.577 53.050 0.193 0.000 0.788 39 N CB 2.830 41.383 38.487 0.111 0.000 1.361 39 N HN 0.638 nan 8.380 nan 0.000 0.489 40 I N 0.596 121.271 120.570 0.174 0.000 2.845 40 I HA -0.012 4.157 4.170 -0.001 0.000 0.296 40 I C 1.310 177.477 176.117 0.084 0.000 1.216 40 I CA 1.508 62.894 61.300 0.143 0.000 1.438 40 I CB -0.072 38.008 38.000 0.133 0.000 1.342 40 I HN 0.905 nan 8.210 nan 0.000 0.577 41 G N 4.503 113.346 108.800 0.072 0.000 2.217 41 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.246 41 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.246 41 G C 0.035 174.920 174.900 -0.024 0.000 0.990 41 G CA 0.106 45.222 45.100 0.027 0.000 0.627 41 G HN 0.665 nan 8.290 nan 0.000 0.522 42 D N 0.282 120.648 120.400 -0.057 0.000 2.372 42 D HA 0.410 5.049 4.640 -0.001 0.000 0.243 42 D C 0.823 176.964 176.300 -0.265 0.000 1.121 42 D CA -0.079 53.773 54.000 -0.246 0.000 0.898 42 D CB 0.634 41.113 40.800 -0.534 0.000 1.202 42 D HN 0.413 nan 8.370 nan 0.000 0.428 43 R N 2.105 122.403 120.500 -0.337 0.000 2.221 43 R HA 0.248 4.587 4.340 -0.001 0.000 0.327 43 R C -0.930 175.042 176.300 -0.547 0.000 1.033 43 R CA -0.462 55.448 56.100 -0.316 0.000 0.887 43 R CB 0.192 30.367 30.300 -0.208 0.000 1.057 43 R HN 0.193 nan 8.270 nan 0.000 0.455 44 F N 2.884 122.445 119.950 -0.648 0.000 2.410 44 F HA 0.266 4.793 4.527 -0.001 0.000 0.349 44 F C 0.387 175.768 175.800 -0.699 0.000 1.117 44 F CA -0.215 57.305 58.000 -0.800 0.000 1.104 44 F CB 1.844 40.037 39.000 -1.344 0.000 1.122 44 F HN 0.348 nan 8.300 nan 0.000 0.483 45 Q N 5.131 124.743 119.800 -0.313 0.000 2.674 45 Q HA 0.394 4.733 4.340 -0.001 0.000 0.249 45 Q C -1.247 174.666 176.000 -0.145 0.000 1.011 45 Q CA -0.294 55.387 55.803 -0.203 0.000 0.734 45 Q CB 1.464 30.112 28.738 -0.151 0.000 1.201 45 Q HN 0.605 nan 8.270 nan 0.000 0.498 46 L N 2.320 123.466 121.223 -0.129 0.000 2.272 46 L HA 0.348 4.687 4.340 -0.001 0.000 0.284 46 L C -0.044 176.912 176.870 0.142 0.000 1.045 46 L CA -0.738 54.078 54.840 -0.039 0.000 0.842 46 L CB 0.521 42.460 42.059 -0.201 0.000 1.224 46 L HN 0.360 nan 8.230 nan 0.000 0.430 47 N N 2.958 121.719 118.700 0.101 0.000 2.402 47 N HA 0.161 4.901 4.740 -0.001 0.000 0.252 47 N C -0.803 174.835 175.510 0.214 0.000 1.118 47 N CA -0.202 52.926 53.050 0.130 0.000 0.945 47 N CB 0.997 39.524 38.487 0.067 0.000 1.147 47 N HN 0.224 nan 8.380 nan 0.000 0.495 48 V N 5.795 125.910 119.914 0.335 0.000 2.368 48 V HA 0.275 4.394 4.120 -0.001 0.000 0.266 48 V C 0.545 176.813 176.094 0.290 0.000 1.045 48 V CA -0.487 62.034 62.300 0.368 0.000 0.899 48 V CB 0.217 32.380 31.823 0.567 0.000 1.006 48 V HN 0.543 nan 8.190 nan 0.000 0.470 49 I N 4.296 124.998 120.570 0.220 0.000 2.307 49 I HA 0.267 4.436 4.170 -0.001 0.000 0.289 49 I C 0.024 176.250 176.117 0.182 0.000 1.021 49 I CA -0.287 61.122 61.300 0.182 0.000 1.224 49 I CB 1.168 39.248 38.000 0.134 0.000 1.376 49 I HN 0.486 nan 8.210 nan 0.000 0.470 50 D N 6.467 126.983 120.400 0.194 0.000 2.393 50 D HA 0.105 4.744 4.640 -0.001 0.000 0.232 50 D C 0.061 176.452 176.300 0.151 0.000 1.192 50 D CA 0.035 54.145 54.000 0.183 0.000 0.882 50 D CB 0.480 41.401 40.800 0.202 0.000 1.038 50 D HN 0.331 nan 8.370 nan 0.000 0.499 51 N N 3.734 122.514 118.700 0.134 0.000 2.389 51 N HA 0.148 4.887 4.740 -0.001 0.000 0.260 51 N C -0.192 175.385 175.510 0.112 0.000 1.191 51 N CA -0.236 52.881 53.050 0.111 0.000 0.885 51 N CB 0.320 38.864 38.487 0.095 0.000 1.162 51 N HN 0.427 nan 8.380 nan 0.000 0.512 52 L N 0.324 121.623 121.223 0.126 0.000 2.426 52 L HA 0.189 4.528 4.340 -0.001 0.000 0.271 52 L C 1.515 178.455 176.870 0.116 0.000 1.169 52 L CA 0.259 55.173 54.840 0.125 0.000 0.836 52 L CB 0.775 42.917 42.059 0.138 0.000 1.112 52 L HN 0.159 nan 8.230 nan 0.000 0.465 53 T N -3.207 111.412 114.554 0.109 0.000 3.016 53 T HA 0.106 4.456 4.350 -0.001 0.000 0.271 53 T C 0.416 175.181 174.700 0.108 0.000 0.968 53 T CA -0.373 61.786 62.100 0.099 0.000 0.891 53 T CB 0.020 68.937 68.868 0.082 0.000 1.149 53 T HN 0.392 nan 8.240 nan 0.000 0.524 54 N N 1.412 120.182 118.700 0.117 0.000 2.469 54 N HA 0.206 4.946 4.740 -0.001 0.000 0.253 54 N C 0.333 175.930 175.510 0.144 0.000 0.970 54 N CA -0.155 52.967 53.050 0.120 0.000 0.940 54 N CB 1.375 39.922 38.487 0.099 0.000 1.128 54 N HN 0.269 nan 8.380 nan 0.000 0.503 55 H N 2.735 121.841 119.070 0.062 0.000 2.423 55 H HA 0.003 4.559 4.556 -0.001 0.000 0.297 55 H C 1.017 176.381 175.328 0.061 0.000 1.075 55 H CA 2.206 58.290 56.048 0.061 0.000 1.342 55 H CB 0.333 30.124 29.762 0.048 0.000 1.395 55 H HN 0.494 nan 8.280 nan 0.000 0.530 56 T N 0.233 114.754 114.554 -0.055 0.000 2.759 56 T HA -0.143 4.207 4.350 -0.001 0.000 0.269 56 T C 1.581 176.234 174.700 -0.079 0.000 1.042 56 T CA 1.698 63.739 62.100 -0.097 0.000 1.140 56 T CB -0.116 68.749 68.868 -0.006 0.000 0.864 56 T HN 0.404 nan 8.240 nan 0.000 0.455 57 M N 0.637 120.227 119.600 -0.016 0.000 2.419 57 M HA 0.354 4.833 4.480 -0.001 0.000 0.252 57 M C -0.686 175.634 176.300 0.032 0.000 1.143 57 M CA -0.018 55.291 55.300 0.015 0.000 0.985 57 M CB 0.148 32.782 32.600 0.056 0.000 1.489 57 M HN 0.106 nan 8.290 nan 0.000 0.484 58 L N 0.485 121.709 121.223 0.002 0.000 1.152 58 L HA -0.245 4.095 4.340 -0.001 0.000 0.395 58 L C 0.548 177.498 176.870 0.134 0.000 1.003 58 L CA 0.048 54.927 54.840 0.064 0.000 1.222 58 L CB -0.403 41.706 42.059 0.082 0.000 0.742 58 L HN 0.366 nan 8.230 nan 0.000 0.402 59 K N 0.020 120.533 120.400 0.189 0.000 2.305 59 K HA 0.032 4.351 4.320 -0.001 0.000 0.199 59 K C 0.999 177.707 176.600 0.181 0.000 1.047 59 K CA 1.199 57.593 56.287 0.178 0.000 0.976 59 K CB 0.145 32.753 32.500 0.180 0.000 0.765 59 K HN 0.796 nan 8.250 nan 0.000 0.474 60 T N -1.513 113.165 114.554 0.207 0.000 2.874 60 T HA 0.318 4.668 4.350 -0.001 0.000 0.281 60 T C 0.152 174.945 174.700 0.155 0.000 0.994 60 T CA -0.515 61.709 62.100 0.206 0.000 1.015 60 T CB 1.977 71.038 68.868 0.322 0.000 1.028 60 T HN -0.090 nan 8.240 nan 0.000 0.523 61 T N -0.470 114.156 114.554 0.120 0.000 2.802 61 T HA 0.597 4.947 4.350 -0.001 0.000 0.311 61 T C -1.761 172.990 174.700 0.086 0.000 1.405 61 T CA -0.614 61.553 62.100 0.113 0.000 1.016 61 T CB 1.695 70.655 68.868 0.154 0.000 1.352 61 T HN 0.951 nan 8.240 nan 0.000 0.498 62 S N 1.237 116.993 115.700 0.093 0.000 2.562 62 S HA 0.639 5.108 4.470 -0.001 0.000 0.274 62 S C -1.657 172.973 174.600 0.050 0.000 1.160 62 S CA -0.485 57.784 58.200 0.116 0.000 0.933 62 S CB 1.169 64.373 63.200 0.006 0.000 1.100 62 S HN 0.639 nan 8.310 nan 0.000 0.468 63 V N 5.000 124.881 119.914 -0.055 0.000 2.417 63 V HA 0.467 4.586 4.120 -0.001 0.000 0.291 63 V C -0.257 175.283 176.094 -0.923 0.000 1.024 63 V CA -0.687 61.284 62.300 -0.548 0.000 0.861 63 V CB 1.229 32.558 31.823 -0.824 0.000 0.985 63 V HN 0.942 nan 8.190 nan 0.000 0.436 64 H N 3.832 122.352 119.070 -0.916 0.000 2.458 64 H HA 0.470 5.025 4.556 -0.001 0.000 0.330 64 H C -1.301 173.404 175.328 -1.039 0.000 1.111 64 H CA -1.121 54.413 56.048 -0.856 0.000 1.245 64 H CB 0.921 30.432 29.762 -0.418 0.000 1.456 64 H HN 0.629 nan 8.280 nan 0.000 0.488 65 W N 5.204 125.976 121.300 -0.879 0.000 2.295 65 W HA 0.204 4.863 4.660 -0.001 0.000 0.333 65 W C -0.182 175.764 176.519 -0.955 0.000 0.990 65 W CA -0.924 56.007 57.345 -0.690 0.000 1.453 65 W CB -0.149 28.965 29.460 -0.576 0.000 1.263 65 W HN 0.684 nan 8.180 nan 0.000 0.380 66 H N 1.985 120.494 119.070 -0.936 0.000 2.955 66 H HA 0.388 4.943 4.556 -0.001 0.000 0.290 66 H C 1.321 176.375 175.328 -0.457 0.000 1.047 66 H CA 1.585 57.173 56.048 -0.767 0.000 1.484 66 H CB 0.388 29.662 29.762 -0.813 0.000 1.501 66 H HN 0.796 nan 8.280 nan 0.000 0.521 67 G N 3.865 112.475 108.800 -0.316 0.000 2.231 67 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.206 67 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.206 67 G C -0.315 174.318 174.900 -0.445 0.000 0.996 67 G CA -0.217 44.778 45.100 -0.175 0.000 0.645 67 G HN 0.481 nan 8.290 nan 0.000 0.498 68 F N 1.051 120.762 119.950 -0.399 0.000 2.410 68 F HA 0.677 5.203 4.527 -0.001 0.000 0.348 68 F C 1.406 176.975 175.800 -0.385 0.000 1.106 68 F CA -1.150 56.493 58.000 -0.594 0.000 1.163 68 F CB 0.543 39.086 39.000 -0.762 0.000 1.129 68 F HN -0.096 nan 8.300 nan 0.000 0.516 69 F N 0.019 119.906 119.950 -0.106 0.000 2.216 69 F HA -0.152 4.375 4.527 -0.001 0.000 0.300 69 F C 1.494 177.143 175.800 -0.251 0.000 1.085 69 F CA 0.670 58.504 58.000 -0.277 0.000 1.326 69 F CB -0.788 38.087 39.000 -0.207 0.000 1.027 69 F HN 0.406 nan 8.300 nan 0.000 0.497 70 Q N 0.282 120.112 119.800 0.051 0.000 2.457 70 Q HA -0.282 4.057 4.340 -0.001 0.000 0.283 70 Q C 0.234 176.342 176.000 0.180 0.000 1.234 70 Q CA 0.820 56.656 55.803 0.054 0.000 0.877 70 Q CB -2.212 26.593 28.738 0.112 0.000 1.250 70 Q HN 0.643 nan 8.270 nan 0.000 0.481 71 Q N 0.024 119.916 119.800 0.154 0.000 2.255 71 Q HA 0.292 4.632 4.340 -0.001 0.000 0.280 71 Q C 1.286 177.361 176.000 0.125 0.000 1.068 71 Q CA 1.701 57.597 55.803 0.155 0.000 0.911 71 Q CB 0.120 28.926 28.738 0.114 0.000 1.157 71 Q HN 0.480 nan 8.270 nan 0.000 0.380 72 G N 3.015 111.894 108.800 0.132 0.000 2.205 72 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.261 72 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.261 72 G C 0.290 175.248 174.900 0.097 0.000 0.980 72 G CA 0.558 45.724 45.100 0.109 0.000 0.632 72 G HN 1.140 nan 8.290 nan 0.000 0.533 73 T N -1.897 112.651 114.554 -0.009 0.000 3.516 73 T HA 0.421 4.770 4.350 -0.001 0.000 0.245 73 T C 1.036 175.475 174.700 -0.435 0.000 1.077 73 T CA 0.470 62.360 62.100 -0.351 0.000 1.222 73 T CB 0.521 69.120 68.868 -0.449 0.000 1.045 73 T HN 0.212 nan 8.240 nan 0.000 0.585 74 N N 2.057 120.634 118.700 -0.204 0.000 2.205 74 N HA -0.136 4.604 4.740 -0.001 0.000 0.186 74 N C 1.722 177.072 175.510 -0.268 0.000 1.015 74 N CA 1.836 54.719 53.050 -0.279 0.000 0.862 74 N CB -0.117 38.103 38.487 -0.445 0.000 0.986 74 N HN 0.877 nan 8.380 nan 0.000 0.429 75 W N 0.157 121.309 121.300 -0.248 0.000 2.424 75 W HA 0.029 4.688 4.660 -0.001 0.000 0.264 75 W C 1.061 177.641 176.519 0.102 0.000 1.229 75 W CA 0.667 57.803 57.345 -0.349 0.000 1.208 75 W CB -0.675 28.207 29.460 -0.963 0.000 1.127 75 W HN 0.079 nan 8.180 nan 0.000 0.588 76 A N 0.299 122.927 122.820 -0.321 0.000 2.431 76 A HA 0.071 4.390 4.320 -0.001 0.000 0.239 76 A C 1.402 179.160 177.584 0.290 0.000 1.230 76 A CA 0.575 52.649 52.037 0.061 0.000 0.928 76 A CB -0.514 18.137 19.000 -0.581 0.000 1.006 76 A HN 0.115 nan 8.150 nan 0.000 0.520 77 D N -0.298 120.185 120.400 0.139 0.000 2.149 77 D HA 0.053 4.692 4.640 -0.001 0.000 0.198 77 D C 1.638 178.104 176.300 0.277 0.000 0.990 77 D CA 2.677 56.823 54.000 0.243 0.000 0.839 77 D CB 0.066 41.041 40.800 0.292 0.000 0.948 77 D HN 0.567 nan 8.370 nan 0.000 0.460 78 G N -1.419 107.499 108.800 0.198 0.000 2.561 78 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.203 78 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.203 78 G C -1.976 172.874 174.900 -0.083 0.000 1.101 78 G CA -0.229 44.926 45.100 0.092 0.000 0.711 78 G HN 0.288 nan 8.290 nan 0.000 0.511 79 P HA 0.415 nan 4.420 nan 0.000 0.260 79 P C 0.311 177.398 177.300 -0.354 0.000 1.185 79 P CA 0.980 63.710 63.100 -0.616 0.000 0.763 79 P CB 0.754 31.841 31.700 -1.021 0.000 0.776 80 A N 4.485 127.162 122.820 -0.239 0.000 2.524 80 A HA 0.282 4.601 4.320 -0.001 0.000 0.250 80 A C 0.390 177.781 177.584 -0.322 0.000 1.078 80 A CA 0.054 51.832 52.037 -0.431 0.000 0.761 80 A CB -1.149 17.590 19.000 -0.433 0.000 1.012 80 A HN 0.614 nan 8.150 nan 0.000 0.500 81 F N -0.152 119.700 119.950 -0.164 0.000 2.794 81 F HA -0.253 4.274 4.527 -0.001 0.000 0.335 81 F C 0.938 176.659 175.800 -0.132 0.000 0.653 81 F CA 0.869 58.795 58.000 -0.123 0.000 1.266 81 F CB -1.649 37.312 39.000 -0.064 0.000 1.666 81 F HN 0.494 nan 8.300 nan 0.000 0.314 82 I N -1.135 119.340 120.570 -0.158 0.000 3.132 82 I HA 0.108 4.277 4.170 -0.001 0.000 0.255 82 I C 1.540 177.568 176.117 -0.149 0.000 1.118 82 I CA 1.294 62.441 61.300 -0.254 0.000 1.463 82 I CB -0.952 36.646 38.000 -0.671 0.000 1.356 82 I HN 0.083 nan 8.210 nan 0.000 0.463 83 N N 0.135 118.754 118.700 -0.135 0.000 2.227 83 N HA 0.079 4.818 4.740 -0.001 0.000 0.196 83 N C 0.015 175.722 175.510 0.328 0.000 1.142 83 N CA -0.094 52.974 53.050 0.031 0.000 0.887 83 N CB 0.703 39.164 38.487 -0.043 0.000 1.022 83 N HN 0.490 nan 8.380 nan 0.000 0.500 84 Q N -1.397 118.466 119.800 0.105 0.000 2.633 84 Q HA 0.453 4.793 4.340 -0.001 0.000 0.289 84 Q C -1.545 174.199 176.000 -0.426 0.000 0.940 84 Q CA -0.925 54.850 55.803 -0.047 0.000 0.785 84 Q CB 0.720 29.470 28.738 0.020 0.000 1.467 84 Q HN -0.107 nan 8.270 nan 0.000 0.401 85 c N 2.031 120.272 118.600 -0.599 0.000 2.604 85 c HA 0.500 5.069 4.570 -0.001 0.000 0.396 85 c C -1.997 171.647 174.090 -0.745 0.000 1.282 85 c CA -0.583 55.279 56.329 -0.778 0.000 2.292 85 c CB -0.197 41.980 42.510 -0.555 0.000 2.633 85 c HN 0.641 nan 8.230 nan 0.000 0.620 86 P HA 0.136 nan 4.420 nan 0.000 0.268 86 P C -0.489 176.627 177.300 -0.306 0.000 1.208 86 P CA 0.193 62.974 63.100 -0.531 0.000 0.777 86 P CB 0.224 31.600 31.700 -0.539 0.000 0.875 87 I N 0.637 121.125 120.570 -0.136 0.000 2.692 87 I HA 0.018 4.187 4.170 -0.001 0.000 0.284 87 I C 0.862 177.019 176.117 0.067 0.000 1.159 87 I CA 0.510 61.791 61.300 -0.031 0.000 1.423 87 I CB 0.123 38.195 38.000 0.120 0.000 1.380 87 I HN 0.251 nan 8.210 nan 0.000 0.580 88 S N 6.889 122.623 115.700 0.056 0.000 2.616 88 S HA 0.369 4.839 4.470 -0.001 0.000 0.277 88 S C -2.256 172.477 174.600 0.223 0.000 1.234 88 S CA -1.136 57.134 58.200 0.117 0.000 1.028 88 S CB 1.092 64.266 63.200 -0.043 0.000 0.988 88 S HN 0.449 nan 8.310 nan 0.000 0.522 89 P HA 0.141 nan 4.420 nan 0.000 0.266 89 P C 0.753 178.194 177.300 0.235 0.000 1.195 89 P CA 0.660 63.879 63.100 0.199 0.000 0.768 89 P CB 0.184 31.975 31.700 0.152 0.000 0.838 90 G N 0.772 109.661 108.800 0.149 0.000 2.162 90 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.260 90 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.260 90 G C 0.155 174.996 174.900 -0.098 0.000 0.976 90 G CA -0.056 45.063 45.100 0.032 0.000 0.655 90 G HN 0.768 nan 8.290 nan 0.000 0.533 91 H N -0.071 119.051 119.070 0.087 0.000 2.731 91 H HA 0.679 5.235 4.556 -0.001 0.000 0.368 91 H C 0.095 175.499 175.328 0.126 0.000 1.168 91 H CA 0.138 56.243 56.048 0.095 0.000 1.181 91 H CB 2.070 31.884 29.762 0.086 0.000 1.743 91 H HN 0.465 nan 8.280 nan 0.000 0.547 92 S N 0.991 116.845 115.700 0.257 0.000 2.600 92 S HA 0.638 5.107 4.470 -0.001 0.000 0.300 92 S C -1.093 173.699 174.600 0.320 0.000 1.087 92 S CA -0.794 57.553 58.200 0.246 0.000 0.965 92 S CB 2.196 65.496 63.200 0.166 0.000 1.089 92 S HN 0.457 nan 8.310 nan 0.000 0.496 93 F N 1.529 121.555 119.950 0.127 0.000 2.573 93 F HA 0.604 5.130 4.527 -0.001 0.000 0.316 93 F C -1.602 174.240 175.800 0.070 0.000 1.148 93 F CA -1.224 56.812 58.000 0.059 0.000 0.940 93 F CB 1.619 40.610 39.000 -0.015 0.000 1.214 93 F HN 0.704 nan 8.300 nan 0.000 0.448 94 L N 7.530 128.354 121.223 -0.665 0.000 2.261 94 L HA 0.409 4.748 4.340 -0.001 0.000 0.289 94 L C -1.506 174.982 176.870 -0.637 0.000 1.059 94 L CA -0.103 54.472 54.840 -0.442 0.000 0.816 94 L CB -0.108 41.824 42.059 -0.212 0.000 1.191 94 L HN 0.536 nan 8.230 nan 0.000 0.431 95 Y N 3.724 123.941 120.300 -0.139 0.000 2.436 95 Y HA 0.321 4.870 4.550 -0.001 0.000 0.343 95 Y C 0.094 176.002 175.900 0.012 0.000 1.008 95 Y CA -0.188 57.960 58.100 0.080 0.000 1.241 95 Y CB 0.611 39.268 38.460 0.328 0.000 1.153 95 Y HN 0.526 nan 8.280 nan 0.000 0.521 96 D N 5.751 126.296 120.400 0.241 0.000 2.469 96 D HA 0.323 4.962 4.640 -0.001 0.000 0.251 96 D C -1.321 175.048 176.300 0.116 0.000 1.173 96 D CA -0.379 53.690 54.000 0.115 0.000 0.882 96 D CB 0.215 41.136 40.800 0.202 0.000 1.129 96 D HN 0.292 nan 8.370 nan 0.000 0.549 97 F N 0.311 120.181 119.950 -0.134 0.000 2.686 97 F HA 0.584 5.111 4.527 -0.001 0.000 0.311 97 F C -1.051 174.683 175.800 -0.110 0.000 1.128 97 F CA -0.999 56.892 58.000 -0.182 0.000 0.946 97 F CB 1.092 39.886 39.000 -0.344 0.000 1.336 97 F HN 0.008 nan 8.300 nan 0.000 0.457 98 Q N 0.742 120.603 119.800 0.103 0.000 2.301 98 Q HA 0.735 5.074 4.340 -0.001 0.000 0.267 98 Q C -1.376 174.683 176.000 0.098 0.000 1.035 98 Q CA -1.390 54.442 55.803 0.049 0.000 0.856 98 Q CB 3.116 31.875 28.738 0.035 0.000 1.337 98 Q HN 0.628 nan 8.270 nan 0.000 0.450 99 V N 2.926 122.886 119.914 0.078 0.000 2.320 99 V HA 0.164 4.283 4.120 -0.001 0.000 0.257 99 V C -1.876 174.267 176.094 0.081 0.000 0.996 99 V CA -0.921 61.404 62.300 0.042 0.000 0.928 99 V CB 0.730 32.532 31.823 -0.035 0.000 1.169 99 V HN 0.719 nan 8.190 nan 0.000 0.475 100 P HA 0.012 nan 4.420 nan 0.000 0.227 100 P C 0.535 177.891 177.300 0.093 0.000 1.161 100 P CA 0.989 64.136 63.100 0.078 0.000 0.788 100 P CB 0.371 32.116 31.700 0.074 0.000 0.822 101 N N -1.500 117.271 118.700 0.118 0.000 2.305 101 N HA 0.105 4.845 4.740 -0.001 0.000 0.248 101 N C -0.188 175.408 175.510 0.142 0.000 1.290 101 N CA -0.260 52.874 53.050 0.140 0.000 0.873 101 N CB 0.120 38.717 38.487 0.183 0.000 1.261 101 N HN 0.116 nan 8.380 nan 0.000 0.504 102 Q N -0.015 119.849 119.800 0.105 0.000 2.389 102 Q HA 0.844 5.184 4.340 -0.001 0.000 0.277 102 Q C -1.499 174.615 176.000 0.189 0.000 1.082 102 Q CA -1.039 54.826 55.803 0.104 0.000 0.810 102 Q CB 2.837 31.567 28.738 -0.013 0.000 1.374 102 Q HN 0.287 nan 8.270 nan 0.000 0.422 103 A N 0.530 123.483 122.820 0.221 0.000 2.566 103 A HA 1.026 5.346 4.320 -0.001 0.000 0.292 103 A C -0.351 177.357 177.584 0.207 0.000 1.112 103 A CA 0.034 52.226 52.037 0.259 0.000 0.707 103 A CB 1.904 21.009 19.000 0.175 0.000 1.302 103 A HN 0.945 nan 8.150 nan 0.000 0.409 104 G N -0.861 108.038 108.800 0.166 0.000 2.270 104 G HA2 0.429 4.388 3.960 -0.001 0.000 0.268 104 G HA3 0.429 4.388 3.960 -0.001 0.000 0.268 104 G C -0.608 174.120 174.900 -0.287 0.000 1.312 104 G CA -0.056 44.957 45.100 -0.146 0.000 1.050 104 G HN 1.329 nan 8.290 nan 0.000 0.474 105 T N 1.207 115.401 114.554 -0.601 0.000 2.771 105 T HA 0.733 5.082 4.350 -0.001 0.000 0.281 105 T C -0.747 173.506 174.700 -0.745 0.000 0.982 105 T CA 0.166 61.999 62.100 -0.445 0.000 0.978 105 T CB 0.731 69.413 68.868 -0.310 0.000 0.930 105 T HN 0.471 nan 8.240 nan 0.000 0.447 106 F N 1.233 121.137 119.950 -0.076 0.000 2.814 106 F HA 0.832 5.358 4.527 -0.001 0.000 0.353 106 F C -0.754 175.181 175.800 0.224 0.000 1.177 106 F CA -1.111 56.830 58.000 -0.099 0.000 1.036 106 F CB 1.538 40.224 39.000 -0.524 0.000 1.455 106 F HN 0.598 nan 8.300 nan 0.000 0.520 107 W N 0.380 121.765 121.300 0.142 0.000 3.025 107 W HA 0.611 5.270 4.660 -0.001 0.000 0.343 107 W C -2.483 174.201 176.519 0.275 0.000 1.246 107 W CA -1.891 55.558 57.345 0.175 0.000 1.178 107 W CB 0.279 29.690 29.460 -0.081 0.000 1.463 107 W HN 0.610 nan 8.180 nan 0.000 0.578 108 Y N 0.383 120.810 120.300 0.213 0.000 2.499 108 Y HA 0.796 5.345 4.550 -0.001 0.000 0.347 108 Y C -0.818 174.946 175.900 -0.227 0.000 0.987 108 Y CA -1.324 56.672 58.100 -0.174 0.000 1.044 108 Y CB 1.631 40.136 38.460 0.074 0.000 1.245 108 Y HN 0.700 nan 8.280 nan 0.000 0.461 109 H N -1.250 117.559 119.070 -0.434 0.000 3.064 109 H HA 0.496 5.051 4.556 -0.001 0.000 0.352 109 H C -1.115 174.096 175.328 -0.195 0.000 1.260 109 H CA -1.129 54.701 56.048 -0.362 0.000 1.160 109 H CB 1.038 30.315 29.762 -0.809 0.000 1.879 109 H HN 0.780 nan 8.280 nan 0.000 0.544 110 S N 0.473 116.244 115.700 0.117 0.000 2.558 110 S HA -0.070 4.399 4.470 -0.001 0.000 0.293 110 S C 0.006 174.728 174.600 0.203 0.000 1.292 110 S CA -0.117 58.166 58.200 0.138 0.000 1.063 110 S CB -0.131 63.196 63.200 0.211 0.000 0.831 110 S HN 0.800 nan 8.310 nan 0.000 0.499 111 H N 4.176 123.277 119.070 0.052 0.000 2.481 111 H HA 0.379 4.934 4.556 -0.001 0.000 0.273 111 H C -0.891 174.467 175.328 0.050 0.000 1.145 111 H CA -0.355 55.741 56.048 0.080 0.000 0.964 111 H CB 0.121 29.874 29.762 -0.015 0.000 1.722 111 H HN 0.467 nan 8.280 nan 0.000 0.573 112 L N 0.717 122.040 121.223 0.167 0.000 2.343 112 L HA 0.335 4.675 4.340 -0.001 0.000 0.278 112 L C 0.648 177.590 176.870 0.119 0.000 0.996 112 L CA 0.375 55.290 54.840 0.126 0.000 0.831 112 L CB 1.312 43.415 42.059 0.074 0.000 1.232 112 L HN 0.265 nan 8.230 nan 0.000 0.413 113 S N 3.028 118.807 115.700 0.132 0.000 3.711 113 S HA -0.307 4.163 4.470 -0.001 0.000 0.625 113 S C 0.924 175.527 174.600 0.004 0.000 2.458 113 S CA 1.918 60.169 58.200 0.086 0.000 4.059 113 S CB -1.413 61.837 63.200 0.084 0.000 0.257 113 S HN 1.376 nan 8.310 nan 0.000 0.974 114 T N 0.042 114.569 114.554 -0.046 0.000 3.251 114 T HA 0.389 4.739 4.350 -0.001 0.000 0.259 114 T C 1.174 175.782 174.700 -0.154 0.000 0.998 114 T CA 0.803 62.793 62.100 -0.184 0.000 0.905 114 T CB 0.413 69.152 68.868 -0.215 0.000 1.067 114 T HN 0.596 nan 8.240 nan 0.000 0.569 115 Q N 0.713 120.501 119.800 -0.020 0.000 2.170 115 Q HA -0.166 4.173 4.340 -0.001 0.000 0.203 115 Q C 1.827 177.890 176.000 0.104 0.000 0.976 115 Q CA 1.491 57.324 55.803 0.049 0.000 0.858 115 Q CB -0.275 28.524 28.738 0.102 0.000 0.907 115 Q HN 0.922 nan 8.270 nan 0.000 0.433 116 Y N -1.473 118.856 120.300 0.048 0.000 2.352 116 Y HA -0.109 4.440 4.550 -0.001 0.000 0.292 116 Y C 1.917 177.879 175.900 0.103 0.000 1.136 116 Y CA 0.744 58.905 58.100 0.102 0.000 1.227 116 Y CB -0.924 37.620 38.460 0.140 0.000 0.991 116 Y HN 0.140 nan 8.280 nan 0.000 0.545 117 c N 0.923 119.313 118.600 -0.351 0.000 2.422 117 c HA -0.140 4.430 4.570 -0.001 0.000 0.279 117 c C 1.952 176.026 174.090 -0.027 0.000 1.305 117 c CA 1.033 57.209 56.329 -0.253 0.000 1.757 117 c CB -0.901 41.321 42.510 -0.480 0.000 1.962 117 c HN 0.555 nan 8.230 nan 0.000 0.499 118 D N -0.201 120.199 120.400 0.000 0.000 2.363 118 D HA 0.170 4.809 4.640 -0.001 0.000 0.226 118 D C 1.800 178.241 176.300 0.236 0.000 1.020 118 D CA 1.354 55.384 54.000 0.050 0.000 0.892 118 D CB 0.060 40.887 40.800 0.045 0.000 0.900 118 D HN 0.680 nan 8.370 nan 0.000 0.531 119 G N 0.130 109.126 108.800 0.326 0.000 2.672 119 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.197 119 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.197 119 G C -0.006 175.090 174.900 0.327 0.000 0.995 119 G CA -0.395 44.962 45.100 0.429 0.000 0.754 119 G HN 0.204 nan 8.290 nan 0.000 0.505 120 L N 3.442 124.847 121.223 0.303 0.000 2.395 120 L HA 0.705 5.044 4.340 -0.001 0.000 0.268 120 L C 0.615 177.653 176.870 0.279 0.000 1.223 120 L CA -0.499 54.507 54.840 0.276 0.000 1.093 120 L CB -1.345 40.863 42.059 0.248 0.000 1.349 120 L HN 0.486 nan 8.230 nan 0.000 0.427 121 R N 2.509 123.126 120.500 0.195 0.000 2.604 121 R HA 0.841 5.180 4.340 -0.001 0.000 0.261 121 R C -0.878 175.329 176.300 -0.155 0.000 1.080 121 R CA -0.769 55.386 56.100 0.093 0.000 0.917 121 R CB 1.023 31.547 30.300 0.373 0.000 1.252 121 R HN 0.446 nan 8.270 nan 0.000 0.456 122 G N 1.554 110.010 108.800 -0.575 0.000 2.623 122 G HA2 0.629 4.588 3.960 -0.001 0.000 0.290 122 G HA3 0.629 4.588 3.960 -0.001 0.000 0.290 122 G C -3.199 171.539 174.900 -0.271 0.000 1.437 122 G CA -1.303 43.493 45.100 -0.506 0.000 0.798 122 G HN 0.397 nan 8.290 nan 0.000 0.488 123 P HA 0.559 nan 4.420 nan 0.000 0.276 123 P C -1.524 176.059 177.300 0.471 0.000 1.244 123 P CA -0.448 62.791 63.100 0.231 0.000 0.801 123 P CB 1.519 33.290 31.700 0.120 0.000 1.006 124 F N 1.632 121.789 119.950 0.345 0.000 2.617 124 F HA 0.369 4.895 4.527 -0.001 0.000 0.325 124 F C -1.469 174.514 175.800 0.305 0.000 1.179 124 F CA -0.901 57.334 58.000 0.392 0.000 0.965 124 F CB 1.357 40.670 39.000 0.523 0.000 1.232 124 F HN -0.038 nan 8.300 nan 0.000 0.461 125 V N 6.147 126.350 119.914 0.481 0.000 2.540 125 V HA 0.565 4.684 4.120 -0.001 0.000 0.302 125 V C -0.855 175.367 176.094 0.213 0.000 1.035 125 V CA -0.903 61.524 62.300 0.212 0.000 0.873 125 V CB 1.872 33.554 31.823 -0.235 0.000 0.992 125 V HN 0.478 nan 8.190 nan 0.000 0.428 126 V N 5.421 125.500 119.914 0.273 0.000 2.334 126 V HA 0.418 4.538 4.120 -0.001 0.000 0.281 126 V C -0.682 175.467 176.094 0.091 0.000 1.016 126 V CA -0.728 61.744 62.300 0.287 0.000 0.832 126 V CB 0.875 32.962 31.823 0.441 0.000 0.999 126 V HN 0.714 nan 8.190 nan 0.000 0.439 127 Y N 2.118 122.560 120.300 0.237 0.000 2.326 127 Y HA 0.412 4.961 4.550 -0.001 0.000 0.333 127 Y C 0.589 176.575 175.900 0.143 0.000 1.240 127 Y CA -0.291 57.907 58.100 0.163 0.000 1.365 127 Y CB 0.681 39.212 38.460 0.118 0.000 1.289 127 Y HN 0.522 nan 8.280 nan 0.000 0.548 128 D N 3.132 123.709 120.400 0.295 0.000 2.440 128 D HA 0.252 4.892 4.640 -0.001 0.000 0.239 128 D C -1.905 174.491 176.300 0.160 0.000 1.084 128 D CA -2.500 51.616 54.000 0.193 0.000 0.843 128 D CB 1.679 42.574 40.800 0.158 0.000 1.097 128 D HN 0.214 nan 8.370 nan 0.000 0.531 129 P HA -0.050 nan 4.420 nan 0.000 0.222 129 P C -0.248 177.081 177.300 0.048 0.000 1.147 129 P CA 0.713 63.854 63.100 0.069 0.000 0.790 129 P CB 0.332 32.060 31.700 0.046 0.000 0.780 130 N N -0.026 118.706 118.700 0.053 0.000 2.401 130 N HA 0.050 4.790 4.740 -0.001 0.000 0.264 130 N C -0.175 175.357 175.510 0.037 0.000 1.238 130 N CA -0.331 52.738 53.050 0.031 0.000 0.889 130 N CB -0.008 38.493 38.487 0.023 0.000 1.196 130 N HN -0.021 nan 8.380 nan 0.000 0.511 131 D N 2.181 122.622 120.400 0.067 0.000 2.520 131 D HA -0.034 4.606 4.640 -0.001 0.000 0.243 131 D C -1.101 175.220 176.300 0.035 0.000 1.160 131 D CA -1.012 53.043 54.000 0.092 0.000 0.877 131 D CB 1.107 42.017 40.800 0.184 0.000 1.150 131 D HN 0.214 nan 8.370 nan 0.000 0.494 132 P HA -0.120 nan 4.420 nan 0.000 0.228 132 P C 0.654 177.864 177.300 -0.150 0.000 1.151 132 P CA 0.883 63.917 63.100 -0.110 0.000 0.770 132 P CB 0.256 31.847 31.700 -0.181 0.000 0.786 133 H N -1.033 118.075 119.070 0.063 0.000 2.551 133 H HA 0.361 4.916 4.556 -0.001 0.000 0.271 133 H C 1.894 177.172 175.328 -0.084 0.000 0.984 133 H CA 0.336 56.436 56.048 0.087 0.000 1.164 133 H CB -0.041 29.858 29.762 0.229 0.000 1.437 133 H HN 0.070 nan 8.280 nan 0.000 0.550 134 A N 0.962 123.714 122.820 -0.114 0.000 1.986 134 A HA -0.206 4.113 4.320 -0.001 0.000 0.220 134 A C 2.526 179.787 177.584 -0.538 0.000 1.171 134 A CA 1.958 53.699 52.037 -0.493 0.000 0.640 134 A CB -0.474 18.391 19.000 -0.225 0.000 0.811 134 A HN 0.450 nan 8.150 nan 0.000 0.451 135 S N -0.810 114.742 115.700 -0.246 0.000 2.515 135 S HA -0.028 4.441 4.470 -0.001 0.000 0.231 135 S C 1.634 176.159 174.600 -0.124 0.000 0.987 135 S CA 0.718 58.821 58.200 -0.162 0.000 0.936 135 S CB -0.320 62.836 63.200 -0.074 0.000 0.766 135 S HN 0.633 nan 8.310 nan 0.000 0.528 136 R N 0.126 120.558 120.500 -0.113 0.000 2.297 136 R HA 0.226 4.566 4.340 -0.001 0.000 0.197 136 R C -0.323 176.044 176.300 0.111 0.000 0.943 136 R CA 0.344 56.472 56.100 0.047 0.000 1.038 136 R CB 0.043 30.449 30.300 0.176 0.000 0.957 136 R HN 0.774 nan 8.270 nan 0.000 0.484 137 Y N -3.988 116.310 120.300 -0.002 0.000 2.655 137 Y HA 0.409 4.959 4.550 -0.001 0.000 0.336 137 Y C -0.312 175.562 175.900 -0.043 0.000 1.154 137 Y CA -1.405 56.672 58.100 -0.038 0.000 1.055 137 Y CB 0.916 39.332 38.460 -0.074 0.000 1.295 137 Y HN -0.301 nan 8.280 nan 0.000 0.465 138 D N 0.297 120.778 120.400 0.136 0.000 2.470 138 D HA 0.174 4.814 4.640 -0.001 0.000 0.238 138 D C -0.379 175.964 176.300 0.072 0.000 1.054 138 D CA 0.804 54.830 54.000 0.044 0.000 0.896 138 D CB 1.485 42.288 40.800 0.006 0.000 1.118 138 D HN 0.267 nan 8.370 nan 0.000 0.497 139 V N 1.383 121.339 119.914 0.070 0.000 2.540 139 V HA 0.463 4.583 4.120 -0.001 0.000 0.302 139 V C -1.059 174.992 176.094 -0.071 0.000 1.035 139 V CA -0.755 61.531 62.300 -0.024 0.000 0.873 139 V CB 2.333 34.087 31.823 -0.116 0.000 0.992 139 V HN -0.085 nan 8.190 nan 0.000 0.428 140 D N 3.661 124.032 120.400 -0.049 0.000 2.318 140 D HA 0.373 5.013 4.640 -0.001 0.000 0.233 140 D C -0.675 175.604 176.300 -0.035 0.000 1.348 140 D CA -0.243 53.711 54.000 -0.077 0.000 0.983 140 D CB 0.959 41.767 40.800 0.013 0.000 1.416 140 D HN 0.860 nan 8.370 nan 0.000 0.558 141 N N 1.114 119.796 118.700 -0.030 0.000 3.439 141 N HA 0.224 4.964 4.740 -0.001 0.000 0.313 141 N C -0.184 175.364 175.510 0.063 0.000 1.598 141 N CA -0.651 52.397 53.050 -0.003 0.000 0.830 141 N CB 0.617 39.073 38.487 -0.052 0.000 1.849 141 N HN -0.187 nan 8.380 nan 0.000 0.598 142 D N 0.209 120.644 120.400 0.059 0.000 2.158 142 D HA -0.128 4.511 4.640 -0.001 0.000 0.197 142 D C 0.535 176.867 176.300 0.053 0.000 0.995 142 D CA 1.522 55.564 54.000 0.070 0.000 0.846 142 D CB -0.234 40.597 40.800 0.051 0.000 0.941 142 D HN 0.396 nan 8.370 nan 0.000 0.456 143 D N -0.995 119.424 120.400 0.033 0.000 2.349 143 D HA -0.019 4.621 4.640 -0.001 0.000 0.224 143 D C 1.482 177.834 176.300 0.087 0.000 1.029 143 D CA 0.669 54.697 54.000 0.047 0.000 0.879 143 D CB 0.043 40.860 40.800 0.029 0.000 0.906 143 D HN 0.333 nan 8.370 nan 0.000 0.528 144 T N -2.617 111.957 114.554 0.033 0.000 3.069 144 T HA 0.079 4.429 4.350 -0.001 0.000 0.252 144 T C 0.800 175.566 174.700 0.111 0.000 1.053 144 T CA -0.277 61.836 62.100 0.020 0.000 0.964 144 T CB 0.029 68.679 68.868 -0.364 0.000 1.005 144 T HN -0.258 nan 8.240 nan 0.000 0.532 145 T N 3.307 117.904 114.554 0.071 0.000 2.749 145 T HA 0.526 4.875 4.350 -0.001 0.000 0.295 145 T C -0.137 174.575 174.700 0.021 0.000 0.936 145 T CA -0.297 61.820 62.100 0.028 0.000 1.060 145 T CB 0.366 69.251 68.868 0.029 0.000 0.904 145 T HN 0.346 nan 8.240 nan 0.000 0.500 146 I N 4.105 124.654 120.570 -0.035 0.000 2.355 146 I HA 0.297 4.467 4.170 -0.001 0.000 0.288 146 I C 0.756 176.793 176.117 -0.134 0.000 0.999 146 I CA -0.814 60.439 61.300 -0.078 0.000 1.163 146 I CB 1.472 39.404 38.000 -0.112 0.000 1.316 146 I HN 0.592 nan 8.210 nan 0.000 0.454 147 T N 5.167 119.648 114.554 -0.122 0.000 2.829 147 T HA 0.727 5.076 4.350 -0.001 0.000 0.282 147 T C -0.464 174.115 174.700 -0.203 0.000 0.990 147 T CA -0.755 61.242 62.100 -0.172 0.000 1.028 147 T CB 1.429 70.217 68.868 -0.133 0.000 0.951 147 T HN 0.320 nan 8.240 nan 0.000 0.460 148 L N 2.098 123.153 121.223 -0.280 0.000 2.329 148 L HA 0.834 5.174 4.340 -0.001 0.000 0.279 148 L C 0.021 176.688 176.870 -0.338 0.000 1.014 148 L CA -1.155 53.461 54.840 -0.374 0.000 0.814 148 L CB 1.748 43.510 42.059 -0.496 0.000 1.257 148 L HN 1.007 nan 8.230 nan 0.000 0.424 149 A N 1.452 124.082 122.820 -0.317 0.000 2.549 149 A HA 0.611 4.931 4.320 -0.001 0.000 0.297 149 A C -1.663 175.920 177.584 -0.002 0.000 1.061 149 A CA -0.787 51.198 52.037 -0.085 0.000 0.690 149 A CB 1.535 20.555 19.000 0.032 0.000 1.287 149 A HN 0.711 nan 8.150 nan 0.000 0.402 150 D N 1.073 121.596 120.400 0.204 0.000 2.264 150 D HA 0.286 4.925 4.640 -0.001 0.000 0.250 150 D C -0.514 175.890 176.300 0.175 0.000 1.113 150 D CA -0.157 53.944 54.000 0.169 0.000 0.871 150 D CB 1.022 41.948 40.800 0.209 0.000 1.167 150 D HN 0.581 nan 8.370 nan 0.000 0.447 151 W N 3.106 124.241 121.300 -0.276 0.000 2.656 151 W HA 0.386 5.046 4.660 -0.001 0.000 0.327 151 W C -1.858 174.422 176.519 -0.399 0.000 1.041 151 W CA -0.907 56.338 57.345 -0.167 0.000 1.229 151 W CB 1.521 30.960 29.460 -0.036 0.000 1.397 151 W HN 0.318 nan 8.180 nan 0.000 0.479 152 Y N 2.986 122.887 120.300 -0.666 0.000 2.429 152 Y HA 0.233 4.782 4.550 -0.001 0.000 0.342 152 Y C 1.220 176.818 175.900 -0.502 0.000 1.004 152 Y CA -0.626 57.182 58.100 -0.485 0.000 1.075 152 Y CB 1.681 39.960 38.460 -0.301 0.000 1.214 152 Y HN 0.453 nan 8.280 nan 0.000 0.455 153 H N -0.057 118.847 119.070 -0.275 0.000 2.512 153 H HA 0.082 4.637 4.556 -0.001 0.000 0.279 153 H C -0.147 175.128 175.328 -0.088 0.000 0.999 153 H CA 0.471 56.312 56.048 -0.346 0.000 1.283 153 H CB 0.582 29.803 29.762 -0.900 0.000 1.421 153 H HN 0.478 nan 8.280 nan 0.000 0.554 154 T N 1.122 115.702 114.554 0.042 0.000 2.794 154 T HA 0.489 4.838 4.350 -0.001 0.000 0.280 154 T C 0.083 174.766 174.700 -0.028 0.000 0.987 154 T CA -0.696 61.422 62.100 0.032 0.000 0.993 154 T CB 1.767 70.641 68.868 0.010 0.000 0.939 154 T HN 0.274 nan 8.240 nan 0.000 0.449 155 A N 2.127 124.935 122.820 -0.020 0.000 2.466 155 A HA 0.558 4.877 4.320 -0.001 0.000 0.238 155 A C 1.797 179.338 177.584 -0.073 0.000 1.074 155 A CA 0.111 52.118 52.037 -0.050 0.000 0.774 155 A CB -0.347 18.646 19.000 -0.011 0.000 1.015 155 A HN 1.082 nan 8.150 nan 0.000 0.498 156 A N 1.190 123.965 122.820 -0.076 0.000 1.917 156 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 156 A C 1.881 179.449 177.584 -0.027 0.000 1.182 156 A CA 2.054 54.072 52.037 -0.031 0.000 0.633 156 A CB -0.418 18.562 19.000 -0.034 0.000 0.819 156 A HN 0.819 nan 8.150 nan 0.000 0.448 157 K N -0.852 119.525 120.400 -0.038 0.000 2.459 157 K HA 0.247 4.567 4.320 -0.001 0.000 0.193 157 K C 1.191 177.761 176.600 -0.049 0.000 1.030 157 K CA 0.354 56.615 56.287 -0.044 0.000 1.026 157 K CB 0.003 32.474 32.500 -0.047 0.000 0.809 157 K HN 0.485 nan 8.250 nan 0.000 0.504 158 L N -0.512 120.682 121.223 -0.048 0.000 2.515 158 L HA 0.139 4.478 4.340 -0.001 0.000 0.223 158 L C 1.409 178.247 176.870 -0.053 0.000 1.079 158 L CA -0.160 54.658 54.840 -0.037 0.000 0.857 158 L CB 0.178 42.230 42.059 -0.012 0.000 1.050 158 L HN 0.080 nan 8.230 nan 0.000 0.476 159 G N 0.012 108.760 108.800 -0.087 0.000 2.641 159 G HA2 0.437 4.396 3.960 -0.001 0.000 0.239 159 G HA3 0.437 4.396 3.960 -0.001 0.000 0.239 159 G C -2.427 172.384 174.900 -0.150 0.000 1.402 159 G CA -0.691 44.343 45.100 -0.110 0.000 1.046 159 G HN -0.077 nan 8.290 nan 0.000 0.565 160 P HA 0.315 nan 4.420 nan 0.000 0.272 160 P C 0.690 177.794 177.300 -0.328 0.000 1.223 160 P CA 0.212 63.193 63.100 -0.198 0.000 0.784 160 P CB 1.145 32.750 31.700 -0.159 0.000 0.923 161 A N 1.614 124.217 122.820 -0.361 0.000 1.940 161 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 161 A C 0.473 177.498 177.584 -0.931 0.000 1.176 161 A CA 1.452 53.108 52.037 -0.634 0.000 0.631 161 A CB -0.956 17.590 19.000 -0.757 0.000 0.814 161 A HN 0.516 nan 8.150 nan 0.000 0.446 162 F N -0.162 119.668 119.950 -0.201 0.000 2.564 162 F HA 0.410 4.936 4.527 -0.001 0.000 0.368 162 F C -2.638 172.961 175.800 -0.335 0.000 1.127 162 F CA -3.138 54.706 58.000 -0.260 0.000 1.170 162 F CB 0.595 39.589 39.000 -0.009 0.000 1.397 162 F HN -0.098 nan 8.300 nan 0.000 0.493 163 P HA -0.002 nan 4.420 nan 0.000 0.267 163 P C 0.273 177.540 177.300 -0.055 0.000 1.200 163 P CA -0.081 62.872 63.100 -0.245 0.000 0.772 163 P CB 0.724 32.214 31.700 -0.351 0.000 0.855 164 N N 1.869 120.562 118.700 -0.011 0.000 3.052 164 N HA 0.273 5.012 4.740 -0.001 0.000 0.302 164 N C 0.171 175.794 175.510 0.187 0.000 1.332 164 N CA 0.522 53.560 53.050 -0.021 0.000 1.129 164 N CB -1.021 37.437 38.487 -0.048 0.000 1.436 164 N HN 0.671 nan 8.380 nan 0.000 0.536 165 G N -0.461 108.597 108.800 0.429 0.000 2.619 165 G HA2 0.130 4.089 3.960 -0.001 0.000 0.686 165 G HA3 0.130 4.089 3.960 -0.001 0.000 0.686 165 G C -0.705 174.292 174.900 0.161 0.000 1.256 165 G CA -0.497 44.864 45.100 0.434 0.000 0.826 165 G HN 0.492 nan 8.290 nan 0.000 0.619 166 A N -0.251 122.479 122.820 -0.150 0.000 2.287 166 A HA 0.668 4.988 4.320 -0.001 0.000 0.273 166 A C 1.240 178.592 177.584 -0.386 0.000 1.091 166 A CA 0.664 52.312 52.037 -0.649 0.000 0.817 166 A CB 0.389 18.977 19.000 -0.687 0.000 1.069 166 A HN 0.705 nan 8.150 nan 0.000 0.492 167 D N -0.432 119.673 120.400 -0.491 0.000 2.183 167 D HA 0.001 4.641 4.640 -0.001 0.000 0.203 167 D C 0.550 176.680 176.300 -0.284 0.000 0.969 167 D CA 1.881 55.608 54.000 -0.455 0.000 0.842 167 D CB 0.138 40.367 40.800 -0.951 0.000 0.957 167 D HN 0.606 nan 8.370 nan 0.000 0.484 168 S N -0.903 114.681 115.700 -0.194 0.000 2.537 168 S HA 0.333 4.802 4.470 -0.001 0.000 0.271 168 S C -0.701 173.881 174.600 -0.030 0.000 1.148 168 S CA -0.867 57.295 58.200 -0.063 0.000 0.868 168 S CB 2.173 65.391 63.200 0.031 0.000 1.115 168 S HN -0.177 nan 8.310 nan 0.000 0.461 169 T N 3.409 117.944 114.554 -0.032 0.000 2.817 169 T HA 0.486 4.836 4.350 -0.001 0.000 0.293 169 T C -0.227 174.416 174.700 -0.095 0.000 0.964 169 T CA -0.416 61.640 62.100 -0.073 0.000 1.085 169 T CB 0.122 68.923 68.868 -0.112 0.000 0.921 169 T HN 0.549 nan 8.240 nan 0.000 0.502 170 L N 4.125 125.273 121.223 -0.124 0.000 2.295 170 L HA 0.590 4.929 4.340 -0.001 0.000 0.285 170 L C -0.289 176.482 176.870 -0.166 0.000 1.035 170 L CA -0.812 53.953 54.840 -0.125 0.000 0.806 170 L CB 1.057 43.038 42.059 -0.130 0.000 1.214 170 L HN 0.498 nan 8.230 nan 0.000 0.426 171 I N 2.912 123.414 120.570 -0.113 0.000 2.362 171 I HA 0.228 4.397 4.170 -0.001 0.000 0.289 171 I C 0.217 176.294 176.117 -0.067 0.000 0.994 171 I CA -0.466 60.779 61.300 -0.091 0.000 1.158 171 I CB 1.284 39.264 38.000 -0.033 0.000 1.315 171 I HN 0.709 nan 8.210 nan 0.000 0.451 172 N N 4.832 123.488 118.700 -0.073 0.000 2.716 172 N HA -0.241 4.498 4.740 -0.001 0.000 0.250 172 N C 0.960 176.431 175.510 -0.065 0.000 1.033 172 N CA 0.548 53.564 53.050 -0.056 0.000 0.727 172 N CB -0.564 37.906 38.487 -0.029 0.000 0.950 172 N HN 1.183 nan 8.380 nan 0.000 0.541 173 G N -1.003 107.738 108.800 -0.097 0.000 2.179 173 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.260 173 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.260 173 G C -0.091 174.717 174.900 -0.155 0.000 0.977 173 G CA 0.923 45.942 45.100 -0.134 0.000 0.641 173 G HN 0.476 nan 8.290 nan 0.000 0.533 174 K N -0.338 119.998 120.400 -0.106 0.000 2.426 174 K HA 0.712 5.032 4.320 -0.001 0.000 0.251 174 K C 0.112 176.679 176.600 -0.055 0.000 0.941 174 K CA -0.310 55.929 56.287 -0.081 0.000 0.808 174 K CB 2.421 34.896 32.500 -0.041 0.000 1.265 174 K HN 0.730 nan 8.250 nan 0.000 0.432 175 G N 1.086 109.866 108.800 -0.033 0.000 2.495 175 G HA2 0.387 4.346 3.960 -0.001 0.000 0.294 175 G HA3 0.387 4.346 3.960 -0.001 0.000 0.294 175 G C -1.687 173.229 174.900 0.026 0.000 1.397 175 G CA -0.897 44.200 45.100 -0.005 0.000 0.790 175 G HN 0.389 nan 8.290 nan 0.000 0.486 176 R N -0.433 120.085 120.500 0.030 0.000 2.514 176 R HA 0.736 5.075 4.340 -0.001 0.000 0.301 176 R C -0.026 176.297 176.300 0.038 0.000 0.962 176 R CA -0.410 55.717 56.100 0.046 0.000 0.882 176 R CB 2.062 32.387 30.300 0.041 0.000 1.143 176 R HN 0.778 nan 8.270 nan 0.000 0.452 177 A N 3.369 126.234 122.820 0.076 0.000 2.299 177 A HA 0.509 4.829 4.320 -0.001 0.000 0.332 177 A C -1.949 175.667 177.584 0.054 0.000 1.131 177 A CA -1.730 50.340 52.037 0.054 0.000 0.844 177 A CB 0.626 19.705 19.000 0.132 0.000 1.251 177 A HN 0.502 nan 8.150 nan 0.000 0.486 178 P HA -0.146 nan 4.420 nan 0.000 0.221 178 P C 1.445 178.784 177.300 0.064 0.000 1.145 178 P CA 1.949 65.066 63.100 0.029 0.000 0.795 178 P CB 0.094 31.797 31.700 0.006 0.000 0.775 179 S N -2.457 113.310 115.700 0.111 0.000 2.481 179 S HA -0.059 4.411 4.470 -0.001 0.000 0.231 179 S C 0.677 175.352 174.600 0.125 0.000 0.996 179 S CA 0.686 58.971 58.200 0.141 0.000 0.942 179 S CB -0.460 62.877 63.200 0.228 0.000 0.768 179 S HN 0.053 nan 8.310 nan 0.000 0.520 180 D N -0.113 120.355 120.400 0.114 0.000 2.318 180 D HA 0.286 4.925 4.640 -0.001 0.000 0.233 180 D C -0.461 175.885 176.300 0.076 0.000 1.348 180 D CA -0.243 53.813 54.000 0.093 0.000 0.983 180 D CB 1.338 42.201 40.800 0.106 0.000 1.416 180 D HN -0.029 nan 8.370 nan 0.000 0.558 181 S N 1.275 117.011 115.700 0.060 0.000 2.605 181 S HA 0.036 4.505 4.470 -0.001 0.000 0.217 181 S C 1.208 175.843 174.600 0.058 0.000 0.958 181 S CA 0.675 58.907 58.200 0.052 0.000 0.919 181 S CB 0.046 63.270 63.200 0.040 0.000 0.780 181 S HN 0.443 nan 8.310 nan 0.000 0.507 182 S N 0.101 115.835 115.700 0.058 0.000 2.629 182 S HA 0.559 5.028 4.470 -0.001 0.000 0.236 182 S C 0.551 175.184 174.600 0.055 0.000 1.010 182 S CA -0.062 58.171 58.200 0.056 0.000 0.981 182 S CB 0.246 63.473 63.200 0.045 0.000 0.919 182 S HN 0.440 nan 8.310 nan 0.000 0.514 183 A N 1.878 124.734 122.820 0.060 0.000 2.531 183 A HA 0.268 4.587 4.320 -0.001 0.000 0.236 183 A C 0.432 178.047 177.584 0.051 0.000 1.062 183 A CA -0.164 51.907 52.037 0.056 0.000 0.760 183 A CB -0.082 18.958 19.000 0.066 0.000 0.995 183 A HN 0.642 nan 8.150 nan 0.000 0.501 184 Q N 1.016 120.839 119.800 0.038 0.000 2.263 184 Q HA 0.222 4.561 4.340 -0.001 0.000 0.289 184 Q C -0.963 175.058 176.000 0.035 0.000 1.061 184 Q CA 0.343 56.165 55.803 0.031 0.000 0.927 184 Q CB 0.069 28.817 28.738 0.017 0.000 1.154 184 Q HN 0.631 nan 8.270 nan 0.000 0.378 185 L N 2.668 123.920 121.223 0.048 0.000 2.357 185 L HA 0.307 4.647 4.340 -0.001 0.000 0.273 185 L C 0.385 177.274 176.870 0.033 0.000 1.080 185 L CA -0.675 54.200 54.840 0.059 0.000 0.803 185 L CB 1.689 43.816 42.059 0.115 0.000 1.174 185 L HN 0.596 nan 8.230 nan 0.000 0.443 186 S N 1.051 116.766 115.700 0.024 0.000 2.562 186 S HA 0.260 4.729 4.470 -0.001 0.000 0.281 186 S C -0.205 174.403 174.600 0.012 0.000 1.333 186 S CA -0.519 57.687 58.200 0.010 0.000 1.052 186 S CB 0.881 64.080 63.200 -0.001 0.000 0.884 186 S HN 0.295 nan 8.310 nan 0.000 0.506 187 V N 4.279 124.195 119.914 0.004 0.000 2.448 187 V HA 0.370 4.489 4.120 -0.001 0.000 0.295 187 V C -0.341 175.755 176.094 0.004 0.000 1.025 187 V CA -0.690 61.610 62.300 -0.001 0.000 0.859 187 V CB 1.801 33.622 31.823 -0.004 0.000 0.988 187 V HN 0.632 nan 8.190 nan 0.000 0.431 188 V N 3.981 123.894 119.914 -0.002 0.000 2.350 188 V HA 0.377 4.496 4.120 -0.001 0.000 0.276 188 V C 0.356 176.465 176.094 0.026 0.000 1.028 188 V CA -0.203 62.104 62.300 0.012 0.000 0.860 188 V CB 1.673 33.470 31.823 -0.043 0.000 0.990 188 V HN 0.910 nan 8.190 nan 0.000 0.453 189 S N 4.280 120.004 115.700 0.041 0.000 2.499 189 S HA 0.659 5.129 4.470 -0.001 0.000 0.279 189 S C -0.162 174.444 174.600 0.010 0.000 1.219 189 S CA -0.566 57.646 58.200 0.021 0.000 1.062 189 S CB 1.476 64.686 63.200 0.016 0.000 0.978 189 S HN 0.770 nan 8.310 nan 0.000 0.489 190 V N 0.792 120.664 119.914 -0.069 0.000 2.789 190 V HA 0.692 4.811 4.120 -0.001 0.000 0.311 190 V C -0.262 175.711 176.094 -0.200 0.000 1.073 190 V CA -0.839 61.364 62.300 -0.161 0.000 0.921 190 V CB 1.592 33.239 31.823 -0.292 0.000 1.009 190 V HN 0.673 nan 8.190 nan 0.000 0.426 191 T N 3.423 117.895 114.554 -0.137 0.000 2.743 191 T HA 0.330 4.679 4.350 -0.001 0.000 0.293 191 T C 0.029 174.677 174.700 -0.086 0.000 0.945 191 T CA -0.290 61.765 62.100 -0.075 0.000 1.030 191 T CB 0.836 69.686 68.868 -0.031 0.000 0.912 191 T HN 0.938 nan 8.240 nan 0.000 0.483 192 K N 1.959 122.366 120.400 0.012 0.000 2.524 192 K HA 0.212 4.531 4.320 -0.001 0.000 0.279 192 K C 1.302 177.950 176.600 0.080 0.000 0.993 192 K CA 1.204 57.573 56.287 0.136 0.000 1.030 192 K CB -0.248 32.443 32.500 0.317 0.000 0.891 192 K HN 0.913 nan 8.250 nan 0.000 0.488 193 G N 2.826 111.676 108.800 0.083 0.000 2.175 193 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.244 193 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.244 193 G C -0.375 174.542 174.900 0.028 0.000 0.982 193 G CA 0.181 45.315 45.100 0.056 0.000 0.641 193 G HN 0.577 nan 8.290 nan 0.000 0.527 194 K N 0.071 120.475 120.400 0.007 0.000 2.203 194 K HA 0.706 5.025 4.320 -0.001 0.000 0.251 194 K C 0.566 177.160 176.600 -0.009 0.000 0.944 194 K CA -0.861 55.420 56.287 -0.009 0.000 0.829 194 K CB 1.584 34.064 32.500 -0.034 0.000 1.125 194 K HN 0.217 nan 8.250 nan 0.000 0.430 198 F N 3.312 122.856 119.950 -0.677 0.000 2.420 198 F HA 0.427 4.953 4.527 -0.001 0.000 0.352 198 F C 0.958 176.313 175.800 -0.742 0.000 1.108 198 F CA -0.226 57.308 58.000 -0.778 0.000 1.162 198 F CB 1.044 39.346 39.000 -1.164 0.000 1.118 198 F HN 0.118 nan 8.300 nan 0.000 0.510 199 R N 4.019 124.369 120.500 -0.251 0.000 2.233 199 R HA 0.371 4.710 4.340 -0.001 0.000 0.334 199 R C -1.115 175.076 176.300 -0.183 0.000 1.037 199 R CA -0.898 55.072 56.100 -0.216 0.000 0.920 199 R CB 0.851 31.051 30.300 -0.167 0.000 1.137 199 R HN 0.430 nan 8.270 nan 0.000 0.492 200 L N 4.418 125.532 121.223 -0.181 0.000 2.278 200 L HA 0.268 4.608 4.340 -0.001 0.000 0.287 200 L C -0.815 175.920 176.870 -0.225 0.000 1.072 200 L CA -0.230 54.489 54.840 -0.203 0.000 0.819 200 L CB 1.443 43.388 42.059 -0.190 0.000 1.176 200 L HN 0.281 nan 8.230 nan 0.000 0.435 201 V N 4.074 123.825 119.914 -0.272 0.000 2.407 201 V HA 0.370 4.489 4.120 -0.001 0.000 0.291 201 V C 0.130 175.945 176.094 -0.464 0.000 1.018 201 V CA -0.622 61.454 62.300 -0.374 0.000 0.842 201 V CB 1.437 33.066 31.823 -0.323 0.000 0.996 201 V HN 0.789 nan 8.190 nan 0.000 0.426 202 S N 5.225 120.592 115.700 -0.555 0.000 2.400 202 S HA 0.414 4.883 4.470 -0.001 0.000 0.295 202 S C 0.562 174.584 174.600 -0.964 0.000 1.113 202 S CA -0.529 57.346 58.200 -0.540 0.000 1.064 202 S CB 0.031 63.031 63.200 -0.332 0.000 0.990 202 S HN 0.622 nan 8.310 nan 0.000 0.502 203 L N 4.114 124.886 121.223 -0.751 0.000 2.653 203 L HA 0.260 4.599 4.340 -0.001 0.000 0.232 203 L C 1.244 177.979 176.870 -0.226 0.000 1.169 203 L CA -0.310 54.032 54.840 -0.830 0.000 0.951 203 L CB -0.254 41.601 42.059 -0.341 0.000 1.181 203 L HN 0.545 nan 8.230 nan 0.000 0.460 204 S N -0.636 114.983 115.700 -0.135 0.000 2.579 204 S HA -0.002 4.468 4.470 -0.001 0.000 0.275 204 S C 0.984 175.736 174.600 0.253 0.000 1.345 204 S CA -0.475 57.820 58.200 0.159 0.000 1.031 204 S CB 1.280 64.650 63.200 0.283 0.000 0.892 204 S HN 0.427 nan 8.310 nan 0.000 0.529 205 c N 3.045 121.768 118.600 0.205 0.000 3.070 205 c HA 0.407 4.976 4.570 -0.001 0.000 0.280 205 c C 0.981 175.070 174.090 -0.001 0.000 1.264 205 c CA 0.371 56.683 56.329 -0.028 0.000 1.690 205 c CB -1.031 41.246 42.510 -0.389 0.000 2.049 205 c HN 0.962 nan 8.230 nan 0.000 0.636 206 D N 0.117 120.611 120.400 0.156 0.000 2.714 206 D HA 0.239 4.879 4.640 -0.001 0.000 0.136 206 D C -2.434 173.900 176.300 0.056 0.000 1.483 206 D CA 0.509 54.633 54.000 0.206 0.000 1.530 206 D CB -0.468 40.635 40.800 0.504 0.000 1.795 206 D HN 0.197 nan 8.370 nan 0.000 0.226 207 P HA 0.201 nan 4.420 nan 0.000 0.275 207 P C -0.576 176.271 177.300 -0.754 0.000 1.228 207 P CA -0.111 62.574 63.100 -0.691 0.000 0.786 207 P CB 0.637 31.664 31.700 -1.122 0.000 0.927 208 N N 1.018 119.292 118.700 -0.709 0.000 2.408 208 N HA 0.443 5.182 4.740 -0.001 0.000 0.260 208 N C -1.165 173.695 175.510 -1.084 0.000 1.242 208 N CA -0.282 52.328 53.050 -0.734 0.000 0.959 208 N CB 0.222 38.293 38.487 -0.693 0.000 1.201 208 N HN 0.220 nan 8.380 nan 0.000 0.511 209 F N -1.710 118.057 119.950 -0.305 0.000 2.556 209 F HA 0.380 4.906 4.527 -0.001 0.000 0.314 209 F C -0.292 175.401 175.800 -0.179 0.000 1.106 209 F CA -0.908 56.967 58.000 -0.208 0.000 0.911 209 F CB 2.416 41.341 39.000 -0.125 0.000 1.190 209 F HN 0.303 nan 8.300 nan 0.000 0.448 210 T N 3.794 118.369 114.554 0.035 0.000 2.762 210 T HA 0.272 4.621 4.350 -0.001 0.000 0.303 210 T C -0.911 173.840 174.700 0.086 0.000 0.977 210 T CA -0.191 61.913 62.100 0.006 0.000 0.961 210 T CB -0.214 68.627 68.868 -0.044 0.000 0.944 210 T HN 0.378 nan 8.240 nan 0.000 0.481 211 F N 4.079 123.980 119.950 -0.082 0.000 2.408 211 F HA 0.599 5.125 4.527 -0.001 0.000 0.344 211 F C 0.350 176.053 175.800 -0.162 0.000 1.112 211 F CA -0.275 57.662 58.000 -0.105 0.000 1.096 211 F CB 0.783 39.705 39.000 -0.131 0.000 1.129 211 F HN 0.555 nan 8.300 nan 0.000 0.486 212 S N 5.773 121.013 115.700 -0.767 0.000 2.570 212 S HA 0.743 5.213 4.470 -0.001 0.000 0.270 212 S C -1.321 172.856 174.600 -0.704 0.000 1.149 212 S CA -0.919 56.930 58.200 -0.585 0.000 0.837 212 S CB 1.566 64.592 63.200 -0.289 0.000 1.124 212 S HN 0.588 nan 8.310 nan 0.000 0.465 213 I N 1.668 121.985 120.570 -0.422 0.000 2.447 213 I HA 0.337 4.507 4.170 -0.001 0.000 0.287 213 I C -1.069 175.008 176.117 -0.067 0.000 1.023 213 I CA -0.677 60.465 61.300 -0.263 0.000 1.083 213 I CB 1.784 39.641 38.000 -0.238 0.000 1.245 213 I HN 0.591 nan 8.210 nan 0.000 0.434 214 D N 4.995 125.409 120.400 0.023 0.000 2.493 214 D HA 0.189 4.829 4.640 -0.001 0.000 0.240 214 D C 1.224 177.648 176.300 0.207 0.000 1.142 214 D CA 1.372 55.442 54.000 0.117 0.000 0.872 214 D CB 0.852 41.771 40.800 0.198 0.000 1.173 214 D HN 0.908 nan 8.370 nan 0.000 0.467 215 G N 1.851 110.696 108.800 0.075 0.000 2.175 215 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.265 215 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.265 215 G C -0.002 174.700 174.900 -0.330 0.000 0.979 215 G CA 0.524 45.578 45.100 -0.077 0.000 0.663 215 G HN 0.681 nan 8.290 nan 0.000 0.533 216 H N -0.294 118.703 119.070 -0.121 0.000 2.717 216 H HA 0.608 5.163 4.556 -0.001 0.000 0.366 216 H C -0.021 175.262 175.328 -0.075 0.000 1.132 216 H CA -0.833 55.156 56.048 -0.098 0.000 1.180 216 H CB 1.158 30.860 29.762 -0.099 0.000 1.678 216 H HN 0.143 nan 8.280 nan 0.000 0.537 217 N N 1.078 119.814 118.700 0.059 0.000 2.482 217 N HA 0.321 5.061 4.740 -0.001 0.000 0.279 217 N C -0.810 174.731 175.510 0.051 0.000 1.182 217 N CA -0.642 52.419 53.050 0.019 0.000 0.969 217 N CB 1.094 39.584 38.487 0.005 0.000 1.201 217 N HN 0.638 nan 8.380 nan 0.000 0.523 218 N N -1.154 117.543 118.700 -0.004 0.000 2.284 218 N HA 0.376 5.115 4.740 -0.001 0.000 0.300 218 N C -1.310 174.238 175.510 0.063 0.000 1.047 218 N CA -0.567 52.501 53.050 0.031 0.000 0.821 218 N CB 1.762 40.087 38.487 -0.270 0.000 1.337 218 N HN 0.240 nan 8.380 nan 0.000 0.482 219 T N 1.979 116.622 114.554 0.147 0.000 2.801 219 T HA 0.337 4.687 4.350 -0.001 0.000 0.306 219 T C 0.445 175.210 174.700 0.109 0.000 1.020 219 T CA -0.444 61.715 62.100 0.098 0.000 0.948 219 T CB -0.029 68.890 68.868 0.086 0.000 0.962 219 T HN 0.308 nan 8.240 nan 0.000 0.465 220 I N 4.619 125.230 120.570 0.069 0.000 2.533 220 I HA 0.140 4.309 4.170 -0.001 0.000 0.284 220 I C 1.347 177.469 176.117 0.008 0.000 1.109 220 I CA 0.226 61.570 61.300 0.072 0.000 1.412 220 I CB 0.569 38.593 38.000 0.039 0.000 1.396 220 I HN 0.716 nan 8.210 nan 0.000 0.543 221 I N 1.644 122.176 120.570 -0.064 0.000 4.526 221 I HA 0.437 4.606 4.170 -0.001 0.000 0.330 221 I C 0.378 176.426 176.117 -0.115 0.000 1.323 221 I CA -0.046 61.072 61.300 -0.304 0.000 1.218 221 I CB 0.535 38.073 38.000 -0.769 0.000 1.233 221 I HN 0.510 nan 8.210 nan 0.000 0.430 222 E N 1.357 121.554 120.200 -0.006 0.000 2.331 222 E HA 0.477 4.827 4.350 -0.001 0.000 0.275 222 E C -1.372 175.237 176.600 0.014 0.000 0.895 222 E CA -0.501 55.904 56.400 0.008 0.000 0.753 222 E CB 2.573 32.240 29.700 -0.056 0.000 1.216 222 E HN 0.083 nan 8.360 nan 0.000 0.434 223 T N 3.301 117.817 114.554 -0.063 0.000 2.864 223 T HA 0.166 4.516 4.350 -0.001 0.000 0.299 223 T C -1.118 173.398 174.700 -0.305 0.000 1.011 223 T CA -0.648 61.327 62.100 -0.210 0.000 0.975 223 T CB 0.764 69.603 68.868 -0.048 0.000 0.962 223 T HN 0.537 nan 8.240 nan 0.000 0.448 224 D N 2.721 122.843 120.400 -0.462 0.000 2.720 224 D HA -0.228 4.411 4.640 -0.001 0.000 0.229 224 D C 1.075 177.115 176.300 -0.432 0.000 1.198 224 D CA 1.890 55.637 54.000 -0.422 0.000 0.639 224 D CB -1.264 39.340 40.800 -0.325 0.000 1.003 224 D HN 0.972 nan 8.370 nan 0.000 0.411 225 S N -4.002 111.401 115.700 -0.495 0.000 2.596 225 S HA -0.270 4.200 4.470 -0.001 0.000 0.260 225 S C 0.110 174.566 174.600 -0.240 0.000 1.282 225 S CA 0.893 58.768 58.200 -0.541 0.000 1.357 225 S CB -1.364 61.317 63.200 -0.864 0.000 1.674 225 S HN 0.469 nan 8.310 nan 0.000 0.641 226 V N 3.498 123.321 119.914 -0.152 0.000 2.370 226 V HA 0.493 4.613 4.120 -0.001 0.000 0.279 226 V C 0.331 176.435 176.094 0.017 0.000 1.029 226 V CA -0.804 61.473 62.300 -0.038 0.000 0.870 226 V CB 1.368 33.202 31.823 0.017 0.000 0.984 226 V HN 0.477 nan 8.190 nan 0.000 0.451 227 N N 3.375 122.112 118.700 0.060 0.000 2.447 227 N HA 0.110 4.850 4.740 -0.001 0.000 0.263 227 N C 0.243 175.862 175.510 0.181 0.000 1.226 227 N CA 0.177 53.321 53.050 0.157 0.000 0.906 227 N CB 1.012 39.574 38.487 0.125 0.000 1.060 227 N HN 0.877 nan 8.380 nan 0.000 0.468 228 S N 1.375 117.224 115.700 0.248 0.000 2.681 228 S HA 0.364 4.833 4.470 -0.001 0.000 0.299 228 S C -0.061 174.710 174.600 0.284 0.000 1.113 228 S CA -0.985 57.343 58.200 0.214 0.000 1.013 228 S CB 1.639 64.931 63.200 0.153 0.000 1.076 228 S HN 0.456 nan 8.310 nan 0.000 0.534 229 Q N 1.733 121.666 119.800 0.222 0.000 2.395 229 Q HA 0.222 4.561 4.340 -0.001 0.000 0.271 229 Q C -2.192 173.918 176.000 0.182 0.000 1.026 229 Q CA -1.416 54.516 55.803 0.215 0.000 0.900 229 Q CB -0.100 28.748 28.738 0.183 0.000 1.266 229 Q HN 0.496 nan 8.270 nan 0.000 0.430 230 P HA -0.027 nan 4.420 nan 0.000 0.266 230 P C -1.154 176.195 177.300 0.082 0.000 1.215 230 P CA 0.178 63.339 63.100 0.101 0.000 0.763 230 P CB 0.359 32.125 31.700 0.110 0.000 0.806 231 L N 4.079 125.336 121.223 0.057 0.000 2.343 231 L HA 0.429 4.769 4.340 -0.001 0.000 0.278 231 L C -0.172 176.711 176.870 0.021 0.000 0.996 231 L CA -0.713 54.151 54.840 0.040 0.000 0.831 231 L CB 1.066 43.141 42.059 0.026 0.000 1.232 231 L HN 0.184 nan 8.230 nan 0.000 0.413 232 N N 2.254 120.966 118.700 0.021 0.000 2.458 232 N HA 0.561 5.300 4.740 -0.001 0.000 0.270 232 N C -0.687 174.814 175.510 -0.016 0.000 1.102 232 N CA 0.083 53.139 53.050 0.010 0.000 0.967 232 N CB 0.682 39.180 38.487 0.019 0.000 1.078 232 N HN 0.751 nan 8.380 nan 0.000 0.471 233 T N -0.581 113.949 114.554 -0.040 0.000 2.901 233 T HA 0.337 4.687 4.350 -0.001 0.000 0.293 233 T C -0.166 174.486 174.700 -0.079 0.000 1.084 233 T CA -0.802 61.257 62.100 -0.069 0.000 1.008 233 T CB 1.577 70.378 68.868 -0.112 0.000 1.170 233 T HN 0.469 nan 8.240 nan 0.000 0.509 234 D N -0.919 119.431 120.400 -0.083 0.000 2.469 234 D HA 0.335 4.974 4.640 -0.001 0.000 0.213 234 D C 0.240 176.471 176.300 -0.115 0.000 1.135 234 D CA -0.320 53.626 54.000 -0.090 0.000 0.834 234 D CB 0.422 41.183 40.800 -0.064 0.000 1.009 234 D HN 0.478 nan 8.370 nan 0.000 0.507 235 S N -0.608 115.021 115.700 -0.120 0.000 2.537 235 S HA 0.655 5.124 4.470 -0.001 0.000 0.271 235 S C -2.018 172.501 174.600 -0.135 0.000 1.148 235 S CA -0.813 57.316 58.200 -0.118 0.000 0.868 235 S CB 0.900 64.045 63.200 -0.091 0.000 1.115 235 S HN 0.146 nan 8.310 nan 0.000 0.461 236 I N 3.218 123.719 120.570 -0.115 0.000 2.468 236 I HA 0.363 4.532 4.170 -0.001 0.000 0.284 236 I C -0.176 175.867 176.117 -0.124 0.000 1.038 236 I CA -0.407 60.777 61.300 -0.193 0.000 1.083 236 I CB 1.907 39.711 38.000 -0.328 0.000 1.223 236 I HN 0.584 nan 8.210 nan 0.000 0.443 237 Q N 6.893 126.602 119.800 -0.152 0.000 2.323 237 Q HA 0.433 4.772 4.340 -0.001 0.000 0.257 237 Q C -1.061 174.793 176.000 -0.243 0.000 1.022 237 Q CA -0.156 55.514 55.803 -0.221 0.000 0.919 237 Q CB 1.313 29.892 28.738 -0.266 0.000 1.220 237 Q HN 0.659 nan 8.270 nan 0.000 0.427 238 I N 4.495 124.935 120.570 -0.218 0.000 2.362 238 I HA 0.366 4.535 4.170 -0.001 0.000 0.289 238 I C -1.236 174.744 176.117 -0.229 0.000 0.994 238 I CA -0.808 60.461 61.300 -0.052 0.000 1.158 238 I CB 0.619 38.666 38.000 0.078 0.000 1.315 238 I HN 0.559 nan 8.210 nan 0.000 0.451 239 F N 5.616 125.573 119.950 0.011 0.000 2.370 239 F HA 0.551 5.077 4.527 -0.001 0.000 0.319 239 F C 1.087 176.827 175.800 -0.101 0.000 1.129 239 F CA -0.416 57.554 58.000 -0.050 0.000 1.109 239 F CB 0.742 39.722 39.000 -0.033 0.000 1.262 239 F HN 0.479 nan 8.300 nan 0.000 0.534 240 A N 1.356 124.228 122.820 0.087 0.000 2.566 240 A HA 0.372 4.691 4.320 -0.001 0.000 0.245 240 A C 0.932 178.393 177.584 -0.205 0.000 1.056 240 A CA 0.464 52.476 52.037 -0.042 0.000 0.757 240 A CB -1.009 18.026 19.000 0.057 0.000 0.979 240 A HN 1.855 nan 8.150 nan 0.000 0.508 241 A N 1.525 124.060 122.820 -0.475 0.000 3.553 241 A HA -0.177 4.143 4.320 -0.001 0.000 0.261 241 A C 0.607 177.853 177.584 -0.563 0.000 1.096 241 A CA 1.453 53.096 52.037 -0.656 0.000 1.308 241 A CB -2.395 16.066 19.000 -0.898 0.000 1.084 241 A HN 0.940 nan 8.150 nan 0.000 0.914 242 Q N -0.850 118.720 119.800 -0.383 0.000 2.368 242 Q HA 0.607 4.946 4.340 -0.001 0.000 0.237 242 Q C -0.002 175.732 176.000 -0.443 0.000 0.987 242 Q CA -0.039 55.557 55.803 -0.344 0.000 0.896 242 Q CB 0.432 29.059 28.738 -0.186 0.000 1.241 242 Q HN 0.514 nan 8.270 nan 0.000 0.485 243 R N 0.392 120.584 120.500 -0.514 0.000 2.744 243 R HA 0.534 4.873 4.340 -0.001 0.000 0.279 243 R C -1.645 174.280 176.300 -0.626 0.000 0.977 243 R CA -0.502 55.318 56.100 -0.467 0.000 0.906 243 R CB 1.333 31.385 30.300 -0.414 0.000 1.197 243 R HN 0.479 nan 8.270 nan 0.000 0.463 244 Y N -0.713 119.485 120.300 -0.171 0.000 2.492 244 Y HA 0.478 5.027 4.550 -0.001 0.000 0.346 244 Y C -0.286 175.547 175.900 -0.110 0.000 0.997 244 Y CA -0.697 57.341 58.100 -0.103 0.000 1.025 244 Y CB 2.776 41.215 38.460 -0.034 0.000 1.263 244 Y HN 0.441 nan 8.280 nan 0.000 0.454 245 S N 3.845 119.571 115.700 0.043 0.000 2.442 245 S HA 0.667 5.136 4.470 -0.001 0.000 0.297 245 S C -1.157 173.463 174.600 0.033 0.000 1.131 245 S CA -0.630 57.520 58.200 -0.083 0.000 1.092 245 S CB -0.061 63.041 63.200 -0.164 0.000 0.998 245 S HN 0.456 nan 8.310 nan 0.000 0.478 246 F N -0.083 119.843 119.950 -0.040 0.000 2.551 246 F HA 0.691 5.218 4.527 -0.001 0.000 0.316 246 F C -0.242 175.554 175.800 -0.006 0.000 1.089 246 F CA -0.931 57.057 58.000 -0.020 0.000 0.915 246 F CB 0.635 39.638 39.000 0.006 0.000 1.186 246 F HN 0.228 nan 8.300 nan 0.000 0.456 247 T N 4.717 119.365 114.554 0.156 0.000 2.771 247 T HA 0.460 4.809 4.350 -0.001 0.000 0.291 247 T C -0.708 174.162 174.700 0.284 0.000 0.954 247 T CA -0.289 61.870 62.100 0.098 0.000 1.045 247 T CB 0.905 69.828 68.868 0.091 0.000 0.917 247 T HN 0.743 nan 8.240 nan 0.000 0.484 248 L N 4.379 125.771 121.223 0.282 0.000 2.313 248 L HA 0.548 4.887 4.340 -0.001 0.000 0.283 248 L C -0.224 176.760 176.870 0.190 0.000 1.013 248 L CA -0.803 54.241 54.840 0.340 0.000 0.816 248 L CB 1.088 43.475 42.059 0.547 0.000 1.236 248 L HN 0.401 nan 8.230 nan 0.000 0.419 249 N N 4.126 122.936 118.700 0.183 0.000 2.414 249 N HA 0.294 5.033 4.740 -0.001 0.000 0.256 249 N C -0.312 175.310 175.510 0.187 0.000 1.029 249 N CA -0.176 52.957 53.050 0.138 0.000 0.948 249 N CB 1.747 40.301 38.487 0.112 0.000 1.102 249 N HN 0.701 nan 8.380 nan 0.000 0.496 250 A N 3.918 126.808 122.820 0.116 0.000 3.026 250 A HA 0.060 4.379 4.320 -0.001 0.000 0.272 250 A C 0.669 178.415 177.584 0.270 0.000 1.782 250 A CA -0.486 51.621 52.037 0.118 0.000 1.451 250 A CB -0.952 17.916 19.000 -0.222 0.000 1.081 250 A HN 0.770 nan 8.150 nan 0.000 0.611 251 N N -0.471 118.392 118.700 0.272 0.000 2.184 251 N HA 0.032 4.772 4.740 -0.001 0.000 0.206 251 N C 0.156 175.729 175.510 0.105 0.000 1.151 251 N CA -0.078 53.071 53.050 0.164 0.000 0.878 251 N CB 0.135 38.672 38.487 0.084 0.000 1.014 251 N HN 0.415 nan 8.380 nan 0.000 0.512 252 Q N 0.713 120.579 119.800 0.110 0.000 2.222 252 Q HA 0.563 4.902 4.340 -0.001 0.000 0.211 252 Q C -0.086 175.827 176.000 -0.145 0.000 1.013 252 Q CA -0.627 55.112 55.803 -0.106 0.000 0.993 252 Q CB 0.565 29.073 28.738 -0.382 0.000 1.151 252 Q HN 0.292 nan 8.270 nan 0.000 0.544 253 A N 0.358 123.097 122.820 -0.134 0.000 2.498 253 A HA 0.202 4.521 4.320 -0.001 0.000 0.239 253 A C -0.033 177.340 177.584 -0.352 0.000 1.068 253 A CA -0.425 51.525 52.037 -0.145 0.000 0.766 253 A CB 0.077 19.030 19.000 -0.079 0.000 1.003 253 A HN 0.421 nan 8.150 nan 0.000 0.497 254 V N 4.009 123.788 119.914 -0.226 0.000 2.486 254 V HA 0.130 4.249 4.120 -0.001 0.000 0.290 254 V C 0.285 176.268 176.094 -0.184 0.000 0.991 254 V CA 1.101 63.301 62.300 -0.167 0.000 1.142 254 V CB -0.872 30.971 31.823 0.032 0.000 0.926 254 V HN 1.000 nan 8.190 nan 0.000 0.472 255 D N 3.351 123.623 120.400 -0.214 0.000 2.738 255 D HA 0.235 4.874 4.640 -0.001 0.000 0.308 255 D C -1.182 174.972 176.300 -0.243 0.000 1.311 255 D CA -0.676 53.144 54.000 -0.300 0.000 0.799 255 D CB 1.491 41.939 40.800 -0.587 0.000 1.332 255 D HN 0.366 nan 8.370 nan 0.000 0.441 256 N N 0.780 119.225 118.700 -0.425 0.000 2.438 256 N HA 0.353 5.092 4.740 -0.001 0.000 0.282 256 N C -1.069 174.069 175.510 -0.621 0.000 1.037 256 N CA -0.024 52.812 53.050 -0.357 0.000 0.942 256 N CB 1.020 39.296 38.487 -0.351 0.000 1.136 256 N HN 0.250 nan 8.380 nan 0.000 0.481 257 Y N -0.134 120.063 120.300 -0.173 0.000 2.425 257 Y HA 0.290 4.839 4.550 -0.001 0.000 0.344 257 Y C -0.280 175.512 175.900 -0.181 0.000 0.969 257 Y CA -0.949 57.066 58.100 -0.141 0.000 1.052 257 Y CB 1.200 39.684 38.460 0.041 0.000 1.215 257 Y HN 0.418 nan 8.280 nan 0.000 0.451 258 W N 4.525 125.832 121.300 0.012 0.000 2.381 258 W HA 0.373 5.032 4.660 -0.001 0.000 0.321 258 W C -0.430 175.988 176.519 -0.169 0.000 1.407 258 W CA -0.150 57.130 57.345 -0.109 0.000 1.274 258 W CB 0.319 29.658 29.460 -0.202 0.000 1.310 258 W HN 0.281 nan 8.180 nan 0.000 0.551 259 I N 5.110 125.745 120.570 0.108 0.000 2.371 259 I HA 0.288 4.457 4.170 -0.001 0.000 0.290 259 I C 0.332 176.345 176.117 -0.173 0.000 1.028 259 I CA -0.462 60.757 61.300 -0.134 0.000 1.345 259 I CB 0.590 38.525 38.000 -0.109 0.000 1.407 259 I HN 0.304 nan 8.210 nan 0.000 0.501 260 R N 5.195 125.459 120.500 -0.393 0.000 2.599 260 R HA 0.786 5.126 4.340 -0.001 0.000 0.295 260 R C -0.892 175.300 176.300 -0.180 0.000 0.963 260 R CA -0.847 55.097 56.100 -0.259 0.000 0.883 260 R CB 2.112 32.146 30.300 -0.443 0.000 1.171 260 R HN 0.697 nan 8.270 nan 0.000 0.450 261 A N 2.929 125.804 122.820 0.091 0.000 2.984 261 A HA 0.224 4.543 4.320 -0.001 0.000 0.320 261 A C -1.009 176.696 177.584 0.201 0.000 1.142 261 A CA -0.701 51.414 52.037 0.130 0.000 0.772 261 A CB 0.393 19.408 19.000 0.025 0.000 1.195 261 A HN 0.579 nan 8.150 nan 0.000 0.459 262 N N 3.486 122.293 118.700 0.178 0.000 2.411 262 N HA 0.384 5.123 4.740 -0.001 0.000 0.259 262 N C -2.565 172.940 175.510 -0.009 0.000 1.103 262 N CA -1.577 51.471 53.050 -0.003 0.000 0.954 262 N CB 1.311 39.754 38.487 -0.074 0.000 1.085 262 N HN 0.349 nan 8.380 nan 0.000 0.485 263 P HA 0.099 nan 4.420 nan 0.000 0.274 263 P C 0.220 177.271 177.300 -0.414 0.000 1.237 263 P CA -0.255 62.605 63.100 -0.401 0.000 0.793 263 P CB 0.814 32.297 31.700 -0.360 0.000 0.977 264 N N 1.217 119.579 118.700 -0.564 0.000 2.331 264 N HA -0.074 4.665 4.740 -0.001 0.000 0.180 264 N C 0.354 175.766 175.510 -0.164 0.000 1.019 264 N CA 0.969 53.821 53.050 -0.331 0.000 0.881 264 N CB -0.610 37.724 38.487 -0.255 0.000 0.972 264 N HN 0.491 nan 8.380 nan 0.000 0.435 265 F N -3.787 116.070 119.950 -0.155 0.000 2.685 265 F HA 0.801 5.327 4.527 -0.001 0.000 0.315 265 F C 0.690 176.425 175.800 -0.108 0.000 1.126 265 F CA -0.554 57.379 58.000 -0.111 0.000 0.950 265 F CB 1.248 40.200 39.000 -0.078 0.000 1.360 265 F HN 0.179 nan 8.300 nan 0.000 0.469 266 G N 1.203 110.123 108.800 0.200 0.000 2.601 266 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.224 266 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.224 266 G C -1.327 173.558 174.900 -0.025 0.000 1.171 266 G CA -0.479 44.667 45.100 0.077 0.000 1.009 266 G HN 0.900 nan 8.290 nan 0.000 0.589 267 N N 1.960 120.613 118.700 -0.077 0.000 2.555 267 N HA 0.406 5.145 4.740 -0.001 0.000 0.244 267 N C 0.655 176.068 175.510 -0.162 0.000 1.114 267 N CA 0.658 53.644 53.050 -0.108 0.000 0.963 267 N CB 0.992 39.414 38.487 -0.110 0.000 1.276 267 N HN 1.077 nan 8.380 nan 0.000 0.510 268 V N -0.585 119.225 119.914 -0.174 0.000 2.997 268 V HA 0.937 5.056 4.120 -0.001 0.000 0.311 268 V C 1.029 176.904 176.094 -0.365 0.000 1.066 268 V CA -0.097 62.048 62.300 -0.258 0.000 1.039 268 V CB 0.753 32.458 31.823 -0.196 0.000 1.081 268 V HN 0.750 nan 8.190 nan 0.000 0.467 269 G N 2.125 110.550 108.800 -0.624 0.000 2.568 269 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.222 269 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.222 269 G C -0.658 173.541 174.900 -1.169 0.000 1.321 269 G CA 0.264 44.866 45.100 -0.829 0.000 0.893 269 G HN 1.439 nan 8.290 nan 0.000 0.569 270 F N 0.312 120.160 119.950 -0.171 0.000 2.856 270 F HA 0.345 4.872 4.527 -0.001 0.000 0.333 270 F C 0.607 176.265 175.800 -0.238 0.000 1.200 270 F CA -0.519 57.330 58.000 -0.252 0.000 1.128 270 F CB 0.276 39.057 39.000 -0.365 0.000 1.172 270 F HN 0.451 nan 8.300 nan 0.000 0.511 271 N N 1.783 120.443 118.700 -0.068 0.000 2.411 271 N HA 0.272 5.011 4.740 -0.001 0.000 0.265 271 N C 1.221 176.699 175.510 -0.053 0.000 1.266 271 N CA 1.579 54.596 53.050 -0.055 0.000 0.889 271 N CB 0.636 39.092 38.487 -0.053 0.000 1.069 271 N HN 0.567 nan 8.380 nan 0.000 0.476 272 G N 2.425 111.201 108.800 -0.040 0.000 2.153 272 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.252 272 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.252 272 G C 0.854 175.737 174.900 -0.028 0.000 0.994 272 G CA 0.530 45.620 45.100 -0.016 0.000 0.698 272 G HN 1.713 nan 8.290 nan 0.000 0.521 273 G N -0.844 107.883 108.800 -0.121 0.000 2.147 273 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.244 273 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.244 273 G C 0.653 175.493 174.900 -0.101 0.000 1.005 273 G CA 0.690 45.661 45.100 -0.215 0.000 0.713 273 G HN 2.281 nan 8.290 nan 0.000 0.515 274 I N -3.267 117.261 120.570 -0.070 0.000 2.938 274 I HA 0.448 4.617 4.170 -0.001 0.000 0.285 274 I C 0.931 177.035 176.117 -0.023 0.000 1.182 274 I CA 0.505 61.776 61.300 -0.049 0.000 1.388 274 I CB 0.117 38.069 38.000 -0.079 0.000 1.390 274 I HN 0.240 nan 8.210 nan 0.000 0.600 275 N N 1.536 120.222 118.700 -0.023 0.000 2.725 275 N HA -0.187 4.552 4.740 -0.001 0.000 0.249 275 N C -0.998 174.582 175.510 0.117 0.000 1.103 275 N CA 0.839 53.898 53.050 0.016 0.000 0.707 275 N CB -0.981 37.455 38.487 -0.084 0.000 1.043 275 N HN 0.733 nan 8.380 nan 0.000 0.553 276 S N -0.930 114.806 115.700 0.059 0.000 2.569 276 S HA 0.905 5.375 4.470 -0.001 0.000 0.280 276 S C -0.292 174.387 174.600 0.133 0.000 1.111 276 S CA -0.273 57.967 58.200 0.067 0.000 0.887 276 S CB 2.528 65.665 63.200 -0.104 0.000 1.095 276 S HN 0.422 nan 8.310 nan 0.000 0.476 277 A N 1.353 124.279 122.820 0.177 0.000 2.504 277 A HA 0.922 5.241 4.320 -0.001 0.000 0.285 277 A C -1.553 176.138 177.584 0.179 0.000 1.261 277 A CA -0.759 51.371 52.037 0.155 0.000 0.741 277 A CB 0.821 19.858 19.000 0.060 0.000 1.327 277 A HN 0.724 nan 8.150 nan 0.000 0.441 278 I N 0.590 121.193 120.570 0.055 0.000 2.389 278 I HA 0.320 4.489 4.170 -0.001 0.000 0.288 278 I C -1.069 175.031 176.117 -0.029 0.000 0.999 278 I CA -0.571 60.703 61.300 -0.043 0.000 1.129 278 I CB 1.745 39.678 38.000 -0.113 0.000 1.288 278 I HN 0.487 nan 8.210 nan 0.000 0.444 279 L N 7.588 128.804 121.223 -0.012 0.000 2.268 279 L HA 0.392 4.731 4.340 -0.001 0.000 0.289 279 L C -0.010 176.938 176.870 0.130 0.000 1.064 279 L CA 0.102 54.958 54.840 0.028 0.000 0.824 279 L CB 0.249 42.308 42.059 -0.001 0.000 1.202 279 L HN 0.533 nan 8.230 nan 0.000 0.433 280 R N 3.958 124.513 120.500 0.091 0.000 2.265 280 R HA 0.320 4.660 4.340 -0.001 0.000 0.328 280 R C -1.239 175.170 176.300 0.182 0.000 0.969 280 R CA -0.625 55.553 56.100 0.130 0.000 0.832 280 R CB 0.584 30.908 30.300 0.040 0.000 1.139 280 R HN 0.469 nan 8.270 nan 0.000 0.457 281 Y N 2.371 122.721 120.300 0.085 0.000 2.425 281 Y HA -0.008 4.542 4.550 -0.001 0.000 0.331 281 Y C 0.383 176.311 175.900 0.046 0.000 1.157 281 Y CA 0.252 58.404 58.100 0.086 0.000 1.372 281 Y CB 0.492 39.030 38.460 0.130 0.000 1.253 281 Y HN 0.552 nan 8.280 nan 0.000 0.536 282 D N 2.042 122.522 120.400 0.134 0.000 2.520 282 D HA 0.228 4.867 4.640 -0.001 0.000 0.243 282 D C 1.162 177.524 176.300 0.103 0.000 1.160 282 D CA 1.849 55.901 54.000 0.086 0.000 0.877 282 D CB 0.517 41.347 40.800 0.051 0.000 1.150 282 D HN 0.835 nan 8.370 nan 0.000 0.494 283 G N 1.324 110.164 108.800 0.067 0.000 2.232 283 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.226 283 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.226 283 G C 0.505 175.426 174.900 0.036 0.000 0.996 283 G CA 0.120 45.250 45.100 0.049 0.000 0.626 283 G HN 0.865 nan 8.290 nan 0.000 0.509 284 A N 1.869 124.719 122.820 0.051 0.000 2.425 284 A HA 0.667 4.986 4.320 -0.001 0.000 0.249 284 A C -0.967 176.609 177.584 -0.012 0.000 1.084 284 A CA -0.362 51.681 52.037 0.010 0.000 0.781 284 A CB 0.124 19.136 19.000 0.020 0.000 1.019 284 A HN 0.321 nan 8.150 nan 0.000 0.490 285 P HA 0.188 nan 4.420 nan 0.000 0.269 285 P C -0.161 177.111 177.300 -0.047 0.000 1.215 285 P CA 0.048 63.124 63.100 -0.039 0.000 0.780 285 P CB 0.665 32.335 31.700 -0.050 0.000 0.898 286 A N 2.319 125.116 122.820 -0.037 0.000 3.051 286 A HA 0.386 4.705 4.320 -0.001 0.000 0.257 286 A C 0.657 178.211 177.584 -0.051 0.000 1.785 286 A CA -0.216 51.798 52.037 -0.039 0.000 1.420 286 A CB -1.431 17.555 19.000 -0.023 0.000 1.063 286 A HN 0.436 nan 8.150 nan 0.000 0.630 287 V N -2.544 117.322 119.914 -0.080 0.000 3.155 287 V HA 0.573 4.692 4.120 -0.001 0.000 0.313 287 V C -0.173 175.825 176.094 -0.160 0.000 1.162 287 V CA -1.283 60.960 62.300 -0.096 0.000 1.048 287 V CB 1.173 32.940 31.823 -0.093 0.000 1.092 287 V HN 0.484 nan 8.190 nan 0.000 0.447 288 E N 1.657 121.756 120.200 -0.168 0.000 2.390 288 E HA 0.350 4.699 4.350 -0.001 0.000 0.261 288 E C -2.412 173.894 176.600 -0.489 0.000 1.076 288 E CA -1.447 54.762 56.400 -0.319 0.000 0.905 288 E CB 0.802 30.430 29.700 -0.120 0.000 0.984 288 E HN 0.620 nan 8.360 nan 0.000 0.427 289 P HA -0.011 nan 4.420 nan 0.000 0.272 289 P C 0.004 176.952 177.300 -0.586 0.000 1.230 289 P CA 0.102 62.631 63.100 -0.951 0.000 0.788 289 P CB 0.574 31.336 31.700 -1.563 0.000 0.949 290 T N -4.514 109.855 114.554 -0.307 0.000 3.170 290 T HA 0.132 4.482 4.350 -0.001 0.000 0.288 290 T C 0.400 175.108 174.700 0.015 0.000 0.992 290 T CA -0.364 61.717 62.100 -0.031 0.000 0.909 290 T CB -1.093 67.748 68.868 -0.045 0.000 1.133 290 T HN 0.447 nan 8.240 nan 0.000 0.530 291 T N 1.768 116.292 114.554 -0.051 0.000 2.900 291 T HA 0.331 4.680 4.350 -0.001 0.000 0.307 291 T C -0.092 174.708 174.700 0.167 0.000 1.065 291 T CA -0.611 61.507 62.100 0.031 0.000 1.105 291 T CB 0.480 69.355 68.868 0.011 0.000 0.979 291 T HN 0.175 nan 8.240 nan 0.000 0.544 292 N N 1.683 120.432 118.700 0.082 0.000 2.456 292 N HA 0.201 4.940 4.740 -0.001 0.000 0.296 292 N C -0.419 175.096 175.510 0.008 0.000 1.102 292 N CA -0.607 52.469 53.050 0.044 0.000 0.924 292 N CB 1.761 40.259 38.487 0.019 0.000 1.186 292 N HN 0.742 nan 8.380 nan 0.000 0.492 293 Q N 0.652 120.419 119.800 -0.054 0.000 2.332 293 Q HA 0.189 4.528 4.340 -0.001 0.000 0.263 293 Q C -0.665 175.308 176.000 -0.045 0.000 0.979 293 Q CA 0.109 55.859 55.803 -0.088 0.000 0.885 293 Q CB 0.600 29.238 28.738 -0.166 0.000 1.218 293 Q HN 0.485 nan 8.270 nan 0.000 0.405 294 S N 1.772 117.447 115.700 -0.042 0.000 2.593 294 S HA 0.303 4.772 4.470 -0.001 0.000 0.297 294 S C -0.713 173.867 174.600 -0.033 0.000 1.112 294 S CA -0.754 57.428 58.200 -0.030 0.000 1.043 294 S CB 1.742 64.927 63.200 -0.025 0.000 1.054 294 S HN 0.661 nan 8.310 nan 0.000 0.516 295 T N 2.516 117.056 114.554 -0.024 0.000 2.908 295 T HA 0.023 4.372 4.350 -0.001 0.000 0.301 295 T C 0.536 175.219 174.700 -0.029 0.000 1.019 295 T CA 0.256 62.343 62.100 -0.022 0.000 1.152 295 T CB 0.365 69.223 68.868 -0.016 0.000 0.966 295 T HN 0.528 nan 8.240 nan 0.000 0.540 296 S N 2.013 117.693 115.700 -0.032 0.000 2.488 296 S HA 0.167 4.636 4.470 -0.001 0.000 0.278 296 S C 1.419 176.000 174.600 -0.030 0.000 1.259 296 S CA -0.254 57.923 58.200 -0.039 0.000 1.061 296 S CB 0.088 63.261 63.200 -0.044 0.000 0.910 296 S HN 0.876 nan 8.310 nan 0.000 0.491 297 T N 2.109 116.645 114.554 -0.030 0.000 2.985 297 T HA 0.309 4.658 4.350 -0.001 0.000 0.254 297 T C 0.562 175.248 174.700 -0.022 0.000 1.021 297 T CA -0.107 61.979 62.100 -0.022 0.000 0.957 297 T CB 0.019 68.875 68.868 -0.019 0.000 1.047 297 T HN 0.620 nan 8.240 nan 0.000 0.511 298 Q N 2.202 121.984 119.800 -0.031 0.000 2.719 298 Q HA 0.298 4.637 4.340 -0.001 0.000 0.376 298 Q C -2.825 173.148 176.000 -0.046 0.000 0.856 298 Q CA -2.027 53.757 55.803 -0.032 0.000 1.038 298 Q CB 1.793 30.513 28.738 -0.029 0.000 1.418 298 Q HN 0.389 nan 8.270 nan 0.000 0.395 299 P HA -0.031 nan 4.420 nan 0.000 0.272 299 P C -0.277 176.985 177.300 -0.063 0.000 1.223 299 P CA -0.504 62.561 63.100 -0.057 0.000 0.784 299 P CB 0.894 32.568 31.700 -0.043 0.000 0.923 300 L N 2.468 123.636 121.223 -0.092 0.000 2.462 300 L HA 0.228 4.568 4.340 -0.001 0.000 0.272 300 L C -0.043 176.797 176.870 -0.050 0.000 1.166 300 L CA 0.484 55.264 54.840 -0.101 0.000 0.880 300 L CB -0.822 41.120 42.059 -0.195 0.000 1.142 300 L HN 0.314 nan 8.230 nan 0.000 0.473 301 N N 3.015 121.695 118.700 -0.033 0.000 2.372 301 N HA 0.167 4.906 4.740 -0.001 0.000 0.285 301 N C 0.440 175.944 175.510 -0.010 0.000 1.008 301 N CA -0.328 52.717 53.050 -0.009 0.000 0.880 301 N CB 1.384 39.865 38.487 -0.010 0.000 1.239 301 N HN 0.806 nan 8.380 nan 0.000 0.484 302 E N 1.318 121.531 120.200 0.021 0.000 2.118 302 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 302 E C 0.891 177.466 176.600 -0.040 0.000 0.992 302 E CA 1.855 58.270 56.400 0.024 0.000 0.804 302 E CB 0.166 29.898 29.700 0.054 0.000 0.741 302 E HN 0.813 nan 8.360 nan 0.000 0.458 303 T N -2.294 112.231 114.554 -0.047 0.000 3.007 303 T HA -0.084 4.265 4.350 -0.001 0.000 0.270 303 T C 1.181 175.791 174.700 -0.151 0.000 1.107 303 T CA 1.419 63.475 62.100 -0.072 0.000 1.118 303 T CB -0.444 68.405 68.868 -0.032 0.000 0.889 303 T HN 0.212 nan 8.240 nan 0.000 0.506 304 N N 0.253 118.868 118.700 -0.142 0.000 2.422 304 N HA 0.248 4.988 4.740 -0.001 0.000 0.181 304 N C -0.219 175.092 175.510 -0.332 0.000 1.080 304 N CA -0.141 52.810 53.050 -0.165 0.000 0.893 304 N CB -0.038 38.420 38.487 -0.049 0.000 0.973 304 N HN 0.379 nan 8.380 nan 0.000 0.456 305 L N 1.271 122.299 121.223 -0.326 0.000 2.331 305 L HA 0.259 4.598 4.340 -0.001 0.000 0.278 305 L C -0.585 176.030 176.870 -0.424 0.000 1.106 305 L CA -0.055 54.645 54.840 -0.234 0.000 0.824 305 L CB 0.583 42.620 42.059 -0.036 0.000 1.142 305 L HN 0.170 nan 8.230 nan 0.000 0.443 306 H N 2.325 121.458 119.070 0.104 0.000 2.806 306 H HA 0.361 4.916 4.556 -0.001 0.000 0.367 306 H C -2.456 172.946 175.328 0.124 0.000 1.136 306 H CA -1.920 54.196 56.048 0.114 0.000 1.178 306 H CB 1.758 31.577 29.762 0.095 0.000 1.718 306 H HN 0.372 nan 8.280 nan 0.000 0.540 307 P HA -0.094 nan 4.420 nan 0.000 0.266 307 P C 0.641 178.028 177.300 0.145 0.000 1.195 307 P CA -0.152 63.055 63.100 0.179 0.000 0.768 307 P CB 0.868 32.659 31.700 0.152 0.000 0.838 308 L N 4.975 126.268 121.223 0.118 0.000 2.046 308 L HA -0.071 4.268 4.340 -0.001 0.000 0.208 308 L C 0.628 177.520 176.870 0.037 0.000 1.077 308 L CA 1.773 56.661 54.840 0.080 0.000 0.747 308 L CB -0.467 41.608 42.059 0.026 0.000 0.896 308 L HN 0.251 nan 8.230 nan 0.000 0.432 309 V N -2.943 116.983 119.914 0.021 0.000 2.732 309 V HA 0.465 4.584 4.120 -0.001 0.000 0.310 309 V C 0.467 176.570 176.094 0.014 0.000 1.053 309 V CA -0.751 61.553 62.300 0.006 0.000 0.957 309 V CB 1.122 32.937 31.823 -0.014 0.000 1.018 309 V HN 0.141 nan 8.190 nan 0.000 0.452 310 S N 2.311 118.020 115.700 0.014 0.000 2.546 310 S HA 0.248 4.717 4.470 -0.001 0.000 0.290 310 S C 0.266 174.866 174.600 0.001 0.000 1.262 310 S CA 0.233 58.447 58.200 0.023 0.000 1.083 310 S CB -0.741 62.472 63.200 0.022 0.000 0.859 310 S HN 1.047 nan 8.310 nan 0.000 0.495 311 T N 8.184 122.745 114.554 0.012 0.000 2.930 311 T HA 0.392 4.741 4.350 -0.001 0.000 0.313 311 T C -2.646 172.094 174.700 0.067 0.000 1.019 311 T CA -1.000 61.055 62.100 -0.074 0.000 1.004 311 T CB 1.432 70.113 68.868 -0.312 0.000 0.987 311 T HN 0.488 nan 8.240 nan 0.000 0.456 312 P HA 0.163 nan 4.420 nan 0.000 0.268 312 P C -0.238 177.246 177.300 0.308 0.000 1.204 312 P CA -0.314 62.881 63.100 0.159 0.000 0.768 312 P CB 0.588 32.346 31.700 0.097 0.000 0.842 313 V N 6.165 126.272 119.914 0.323 0.000 2.555 313 V HA 0.109 4.228 4.120 -0.001 0.000 0.286 313 V C -1.742 174.491 176.094 0.231 0.000 1.044 313 V CA -1.315 61.188 62.300 0.337 0.000 1.026 313 V CB -0.024 31.958 31.823 0.265 0.000 0.981 313 V HN 0.566 nan 8.190 nan 0.000 0.480 314 P HA 0.304 nan 4.420 nan 0.000 0.264 314 P C 0.595 177.933 177.300 0.063 0.000 1.183 314 P CA 1.641 64.814 63.100 0.121 0.000 0.763 314 P CB 0.228 31.987 31.700 0.098 0.000 0.807 315 G N 2.108 110.921 108.800 0.021 0.000 2.584 315 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.229 315 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.229 315 G C -0.454 174.425 174.900 -0.035 0.000 1.320 315 G CA -0.154 44.933 45.100 -0.022 0.000 0.891 315 G HN 0.838 nan 8.290 nan 0.000 0.573 316 S N -0.203 115.440 115.700 -0.095 0.000 2.621 316 S HA 0.761 5.231 4.470 -0.001 0.000 0.302 316 S C -2.763 171.657 174.600 -0.299 0.000 1.093 316 S CA -1.073 57.045 58.200 -0.135 0.000 1.017 316 S CB 2.569 65.697 63.200 -0.121 0.000 1.077 316 S HN 0.639 nan 8.310 nan 0.000 0.517 317 P HA 0.464 nan 4.420 nan 0.000 0.235 317 P C -0.914 175.904 177.300 -0.803 0.000 1.765 317 P CA 0.124 62.838 63.100 -0.643 0.000 1.034 317 P CB -0.424 31.178 31.700 -0.163 0.000 1.984 318 A N 0.937 123.192 122.820 -0.941 0.000 2.589 318 A HA 0.691 5.010 4.320 -0.001 0.000 0.296 318 A C -0.649 176.677 177.584 -0.429 0.000 1.062 318 A CA -0.816 50.898 52.037 -0.538 0.000 0.686 318 A CB 1.095 19.927 19.000 -0.281 0.000 1.282 318 A HN 0.201 nan 8.150 nan 0.000 0.404 319 A N 0.512 123.185 122.820 -0.246 0.000 2.526 319 A HA 0.488 4.807 4.320 -0.001 0.000 0.267 319 A C 1.576 179.069 177.584 -0.151 0.000 1.095 319 A CA 1.181 53.102 52.037 -0.194 0.000 0.775 319 A CB -1.117 17.738 19.000 -0.241 0.000 1.036 319 A HN 2.842 nan 8.150 nan 0.000 0.510 320 G N 1.959 110.689 108.800 -0.118 0.000 2.148 320 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.254 320 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.254 320 G C 0.854 175.687 174.900 -0.112 0.000 0.981 320 G CA 0.443 45.482 45.100 -0.102 0.000 0.670 320 G HN 1.952 nan 8.290 nan 0.000 0.528 321 G N -0.012 108.699 108.800 -0.148 0.000 3.284 321 G HA2 0.598 4.557 3.960 -0.001 0.000 0.251 321 G HA3 0.598 4.557 3.960 -0.001 0.000 0.251 321 G C 0.471 175.301 174.900 -0.117 0.000 0.913 321 G CA 0.786 45.796 45.100 -0.151 0.000 1.947 321 G HN 1.684 nan 8.290 nan 0.000 0.635 322 V N -3.664 116.191 119.914 -0.097 0.000 3.167 322 V HA 0.517 4.637 4.120 -0.001 0.000 0.310 322 V C 0.399 176.443 176.094 -0.085 0.000 1.207 322 V CA -0.917 61.328 62.300 -0.091 0.000 1.059 322 V CB 1.739 33.500 31.823 -0.104 0.000 1.079 322 V HN 0.073 nan 8.190 nan 0.000 0.446 323 D N 0.146 120.494 120.400 -0.087 0.000 2.183 323 D HA 0.037 4.677 4.640 -0.001 0.000 0.203 323 D C 0.514 176.767 176.300 -0.077 0.000 0.969 323 D CA 1.603 55.559 54.000 -0.074 0.000 0.842 323 D CB 0.458 41.217 40.800 -0.069 0.000 0.957 323 D HN 0.609 nan 8.370 nan 0.000 0.484 324 K N -0.040 120.299 120.400 -0.102 0.000 2.581 324 K HA 0.528 4.847 4.320 -0.001 0.000 0.249 324 K C -1.868 174.664 176.600 -0.114 0.000 0.966 324 K CA -0.489 55.741 56.287 -0.095 0.000 0.811 324 K CB 2.233 34.680 32.500 -0.088 0.000 1.223 324 K HN -0.130 nan 8.250 nan 0.000 0.438 325 A N 5.375 128.138 122.820 -0.094 0.000 2.318 325 A HA 0.714 5.033 4.320 -0.001 0.000 0.324 325 A C -0.796 176.728 177.584 -0.099 0.000 1.170 325 A CA -0.757 51.219 52.037 -0.102 0.000 0.810 325 A CB 0.364 19.310 19.000 -0.091 0.000 1.198 325 A HN 0.685 nan 8.150 nan 0.000 0.484 326 I N 2.069 122.565 120.570 -0.124 0.000 2.466 326 I HA 0.279 4.448 4.170 -0.001 0.000 0.289 326 I C -0.397 175.595 176.117 -0.208 0.000 1.026 326 I CA -0.606 60.614 61.300 -0.133 0.000 1.078 326 I CB 2.269 40.206 38.000 -0.105 0.000 1.249 326 I HN 0.735 nan 8.210 nan 0.000 0.429 327 N N 6.223 124.809 118.700 -0.190 0.000 2.430 327 N HA 0.501 5.240 4.740 -0.001 0.000 0.292 327 N C -1.011 174.336 175.510 -0.272 0.000 1.051 327 N CA -0.500 52.398 53.050 -0.252 0.000 0.917 327 N CB 1.027 39.405 38.487 -0.182 0.000 1.164 327 N HN 0.375 nan 8.380 nan 0.000 0.484 328 M N 2.709 122.054 119.600 -0.425 0.000 2.047 328 M HA 0.382 4.861 4.480 -0.001 0.000 0.342 328 M C -0.680 175.282 176.300 -0.563 0.000 1.058 328 M CA -0.830 54.235 55.300 -0.392 0.000 0.991 328 M CB 0.469 32.822 32.600 -0.412 0.000 1.474 328 M HN 0.561 nan 8.290 nan 0.000 0.419 329 A N 4.394 127.064 122.820 -0.251 0.000 2.276 329 A HA 0.723 5.043 4.320 -0.001 0.000 0.300 329 A C -0.794 176.849 177.584 0.097 0.000 1.235 329 A CA -0.327 51.606 52.037 -0.174 0.000 0.867 329 A CB 0.044 19.019 19.000 -0.042 0.000 1.137 329 A HN 0.567 nan 8.150 nan 0.000 0.527 330 F N 2.162 122.250 119.950 0.230 0.000 2.399 330 F HA 0.468 4.995 4.527 -0.001 0.000 0.334 330 F C 0.635 176.596 175.800 0.270 0.000 1.097 330 F CA -0.974 57.241 58.000 0.359 0.000 1.076 330 F CB 1.204 40.480 39.000 0.460 0.000 1.162 330 F HN 0.512 nan 8.300 nan 0.000 0.495 331 N N 1.636 120.647 118.700 0.519 0.000 2.357 331 N HA 0.505 5.244 4.740 -0.001 0.000 0.284 331 N C -2.002 173.747 175.510 0.399 0.000 1.236 331 N CA -0.426 52.825 53.050 0.334 0.000 0.774 331 N CB 3.040 41.609 38.487 0.136 0.000 1.534 331 N HN 0.492 nan 8.380 nan 0.000 0.478 332 F N 1.895 121.861 119.950 0.026 0.000 2.604 332 F HA 0.303 4.829 4.527 -0.001 0.000 0.316 332 F C -0.314 175.414 175.800 -0.120 0.000 1.136 332 F CA -0.808 57.073 58.000 -0.199 0.000 0.989 332 F CB 1.138 39.778 39.000 -0.600 0.000 1.258 332 F HN 0.429 nan 8.300 nan 0.000 0.451 333 N N 2.976 121.223 118.700 -0.756 0.000 2.187 333 N HA 0.340 5.079 4.740 -0.001 0.000 0.212 333 N C 0.910 176.008 175.510 -0.686 0.000 1.152 333 N CA 0.504 53.249 53.050 -0.509 0.000 0.872 333 N CB 1.117 39.512 38.487 -0.153 0.000 1.025 333 N HN 1.113 nan 8.380 nan 0.000 0.514 334 G N -0.042 107.898 108.800 -1.433 0.000 2.339 334 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.209 334 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.209 334 G C 0.849 175.472 174.900 -0.462 0.000 1.015 334 G CA 0.634 45.279 45.100 -0.758 0.000 0.635 334 G HN 0.807 nan 8.290 nan 0.000 0.499 335 S N -0.704 114.708 115.700 -0.481 0.000 2.727 335 S HA 0.394 4.863 4.470 -0.001 0.000 0.249 335 S C 0.248 174.877 174.600 0.049 0.000 1.079 335 S CA 0.836 59.025 58.200 -0.019 0.000 0.912 335 S CB 0.555 63.732 63.200 -0.038 0.000 0.861 335 S HN 0.420 nan 8.310 nan 0.000 0.484 336 N N 0.253 118.812 118.700 -0.236 0.000 2.269 336 N HA 0.672 5.411 4.740 -0.001 0.000 0.304 336 N C -1.751 173.566 175.510 -0.321 0.000 1.072 336 N CA -0.463 52.471 53.050 -0.192 0.000 0.802 336 N CB 1.253 39.541 38.487 -0.332 0.000 1.348 336 N HN 0.164 nan 8.380 nan 0.000 0.484 337 F N 1.051 120.912 119.950 -0.148 0.000 2.397 337 F HA 0.561 5.088 4.527 -0.001 0.000 0.331 337 F C -0.277 175.336 175.800 -0.312 0.000 1.090 337 F CA -0.291 57.582 58.000 -0.211 0.000 1.065 337 F CB 0.779 39.387 39.000 -0.654 0.000 1.184 337 F HN 0.278 nan 8.300 nan 0.000 0.499 338 F N 2.576 122.700 119.950 0.290 0.000 2.556 338 F HA 0.592 5.119 4.527 -0.001 0.000 0.314 338 F C -0.513 175.591 175.800 0.506 0.000 1.106 338 F CA -0.847 57.355 58.000 0.338 0.000 0.911 338 F CB 1.646 40.771 39.000 0.209 0.000 1.190 338 F HN 0.094 nan 8.300 nan 0.000 0.448 339 I N 3.276 124.236 120.570 0.649 0.000 2.382 339 I HA 0.273 4.442 4.170 -0.001 0.000 0.286 339 I C -0.502 175.853 176.117 0.396 0.000 1.002 339 I CA -0.751 60.911 61.300 0.603 0.000 1.135 339 I CB 1.280 39.625 38.000 0.574 0.000 1.288 339 I HN 0.633 nan 8.210 nan 0.000 0.448 340 N N 5.252 124.130 118.700 0.297 0.000 2.727 340 N HA -0.204 4.535 4.740 -0.001 0.000 0.249 340 N C 0.875 176.499 175.510 0.190 0.000 1.048 340 N CA 1.358 54.517 53.050 0.181 0.000 0.714 340 N CB -0.904 37.660 38.487 0.129 0.000 0.959 340 N HN 1.171 nan 8.380 nan 0.000 0.544 341 G N -2.571 106.368 108.800 0.232 0.000 2.176 341 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.253 341 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.253 341 G C 0.092 175.192 174.900 0.334 0.000 0.979 341 G CA 0.635 45.850 45.100 0.191 0.000 0.641 341 G HN 1.285 nan 8.290 nan 0.000 0.530 342 A N -0.128 122.937 122.820 0.407 0.000 2.330 342 A HA 0.830 5.149 4.320 -0.001 0.000 0.313 342 A C 0.095 177.899 177.584 0.367 0.000 1.124 342 A CA 0.649 52.915 52.037 0.381 0.000 0.774 342 A CB 1.588 20.744 19.000 0.261 0.000 1.198 342 A HN 1.313 nan 8.150 nan 0.000 0.465 343 S N 2.140 117.940 115.700 0.167 0.000 2.475 343 S HA 0.501 4.971 4.470 -0.001 0.000 0.281 343 S C -0.432 174.217 174.600 0.082 0.000 1.198 343 S CA -0.380 57.745 58.200 -0.126 0.000 1.063 343 S CB -0.181 62.594 63.200 -0.709 0.000 0.972 343 S HN 0.550 nan 8.310 nan 0.000 0.486 344 F N 4.863 124.859 119.950 0.077 0.000 2.543 344 F HA 0.264 4.790 4.527 -0.001 0.000 0.375 344 F C 0.507 176.358 175.800 0.086 0.000 1.075 344 F CA 0.562 58.637 58.000 0.125 0.000 1.225 344 F CB 0.518 39.641 39.000 0.204 0.000 1.099 344 F HN 0.418 nan 8.300 nan 0.000 0.561 345 T N 7.949 122.233 114.554 -0.450 0.000 2.809 345 T HA 0.308 4.657 4.350 -0.001 0.000 0.284 345 T C -2.601 171.781 174.700 -0.530 0.000 0.992 345 T CA -1.424 60.498 62.100 -0.297 0.000 0.957 345 T CB 1.433 70.184 68.868 -0.194 0.000 0.942 345 T HN 0.271 nan 8.240 nan 0.000 0.439 346 P HA 0.145 nan 4.420 nan 0.000 0.262 346 P C -2.267 174.857 177.300 -0.294 0.000 1.182 346 P CA -0.890 62.137 63.100 -0.122 0.000 0.761 346 P CB -0.251 31.432 31.700 -0.029 0.000 0.795 347 P HA 0.044 nan 4.420 nan 0.000 0.276 347 P C 0.790 177.976 177.300 -0.190 0.000 1.244 347 P CA -0.136 62.864 63.100 -0.167 0.000 0.801 347 P CB 0.974 32.633 31.700 -0.068 0.000 1.006 348 S N 0.873 116.489 115.700 -0.141 0.000 2.368 348 S HA -0.021 4.449 4.470 -0.001 0.000 0.225 348 S C 0.770 175.389 174.600 0.033 0.000 1.030 348 S CA 0.714 58.856 58.200 -0.096 0.000 0.999 348 S CB -0.355 62.810 63.200 -0.059 0.000 0.844 348 S HN 0.316 nan 8.310 nan 0.000 0.459 349 V N 3.749 123.682 119.914 0.032 0.000 2.383 349 V HA 0.391 4.511 4.120 -0.001 0.000 0.275 349 V C -2.416 173.730 176.094 0.088 0.000 1.036 349 V CA -2.140 60.194 62.300 0.057 0.000 0.889 349 V CB 0.874 32.716 31.823 0.031 0.000 0.985 349 V HN 0.259 nan 8.190 nan 0.000 0.459 350 P HA 0.010 nan 4.420 nan 0.000 0.264 350 P C 1.179 178.534 177.300 0.091 0.000 1.183 350 P CA 0.236 63.400 63.100 0.107 0.000 0.763 350 P CB 0.611 32.339 31.700 0.045 0.000 0.807 351 V N 3.605 123.560 119.914 0.068 0.000 2.317 351 V HA -0.268 3.851 4.120 -0.001 0.000 0.251 351 V C 2.190 178.312 176.094 0.046 0.000 1.065 351 V CA 2.011 64.340 62.300 0.047 0.000 1.049 351 V CB -1.154 30.683 31.823 0.024 0.000 0.651 351 V HN 0.536 nan 8.190 nan 0.000 0.450 352 L N -0.433 120.824 121.223 0.057 0.000 2.046 352 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 352 L C 2.178 179.152 176.870 0.173 0.000 1.077 352 L CA 1.880 56.763 54.840 0.072 0.000 0.747 352 L CB -0.657 41.447 42.059 0.074 0.000 0.896 352 L HN 0.287 nan 8.230 nan 0.000 0.432 353 L N -0.525 120.873 121.223 0.291 0.000 2.083 353 L HA -0.205 4.134 4.340 -0.001 0.000 0.209 353 L C 2.493 179.446 176.870 0.138 0.000 1.083 353 L CA 1.703 56.713 54.840 0.283 0.000 0.752 353 L CB -0.757 41.407 42.059 0.174 0.000 0.899 353 L HN 0.454 nan 8.230 nan 0.000 0.433 354 Q N -0.614 119.243 119.800 0.095 0.000 2.061 354 Q HA -0.230 4.109 4.340 -0.001 0.000 0.204 354 Q C 2.267 178.300 176.000 0.055 0.000 0.984 354 Q CA 2.203 58.043 55.803 0.061 0.000 0.846 354 Q CB -0.290 28.477 28.738 0.049 0.000 0.902 354 Q HN 0.558 nan 8.270 nan 0.000 0.421 355 I N 0.667 121.268 120.570 0.051 0.000 2.179 355 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 355 I C 2.148 178.288 176.117 0.038 0.000 1.088 355 I CA 1.070 62.391 61.300 0.035 0.000 1.357 355 I CB -0.295 37.713 38.000 0.013 0.000 1.051 355 I HN 0.212 nan 8.210 nan 0.000 0.409 356 L N -0.090 121.167 121.223 0.056 0.000 2.265 356 L HA -0.156 4.184 4.340 -0.001 0.000 0.215 356 L C 2.006 178.911 176.870 0.058 0.000 1.117 356 L CA 1.005 55.880 54.840 0.058 0.000 0.782 356 L CB -0.529 41.586 42.059 0.094 0.000 0.914 356 L HN 0.192 nan 8.230 nan 0.000 0.441 357 S N -0.715 115.021 115.700 0.060 0.000 2.605 357 S HA 0.277 4.747 4.470 -0.001 0.000 0.217 357 S C 1.372 175.993 174.600 0.035 0.000 0.958 357 S CA 0.610 58.838 58.200 0.047 0.000 0.919 357 S CB 0.738 63.965 63.200 0.046 0.000 0.780 357 S HN 0.655 nan 8.310 nan 0.000 0.507 358 G N 1.134 109.954 108.800 0.033 0.000 2.284 358 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.201 358 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.201 358 G C 0.205 175.121 174.900 0.027 0.000 0.998 358 G CA -0.385 44.732 45.100 0.027 0.000 0.651 358 G HN 0.764 nan 8.290 nan 0.000 0.489 359 A N 0.518 123.356 122.820 0.030 0.000 2.438 359 A HA 0.645 4.965 4.320 -0.001 0.000 0.280 359 A C 0.947 178.550 177.584 0.031 0.000 1.160 359 A CA 1.153 53.207 52.037 0.029 0.000 0.821 359 A CB 0.163 19.182 19.000 0.031 0.000 1.101 359 A HN 0.514 nan 8.150 nan 0.000 0.515 360 Q N 1.030 120.848 119.800 0.030 0.000 2.179 360 Q HA 0.076 4.415 4.340 -0.001 0.000 0.244 360 Q C 0.309 176.330 176.000 0.036 0.000 0.808 360 Q CA 0.612 56.434 55.803 0.032 0.000 0.955 360 Q CB 0.881 29.636 28.738 0.029 0.000 1.141 360 Q HN 0.893 nan 8.270 nan 0.000 0.485 361 T N -3.253 111.322 114.554 0.035 0.000 2.925 361 T HA 0.632 4.981 4.350 -0.001 0.000 0.285 361 T C 1.095 175.820 174.700 0.043 0.000 1.021 361 T CA -0.146 61.976 62.100 0.037 0.000 1.042 361 T CB 1.879 70.766 68.868 0.031 0.000 1.037 361 T HN 0.035 nan 8.240 nan 0.000 0.481 362 A N 0.955 123.803 122.820 0.048 0.000 1.948 362 A HA -0.159 4.160 4.320 -0.001 0.000 0.220 362 A C 2.325 179.937 177.584 0.047 0.000 1.177 362 A CA 2.206 54.276 52.037 0.055 0.000 0.636 362 A CB -1.203 17.832 19.000 0.059 0.000 0.815 362 A HN 0.884 nan 8.150 nan 0.000 0.449 363 Q N 0.251 120.074 119.800 0.038 0.000 2.096 363 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 363 Q C 1.135 177.152 176.000 0.028 0.000 0.982 363 Q CA 2.365 58.186 55.803 0.031 0.000 0.850 363 Q CB -0.375 28.378 28.738 0.026 0.000 0.901 363 Q HN 0.628 nan 8.270 nan 0.000 0.422 364 D N -0.749 119.668 120.400 0.028 0.000 2.249 364 D HA 0.057 4.696 4.640 -0.001 0.000 0.205 364 D C -0.003 176.314 176.300 0.027 0.000 0.962 364 D CA 0.257 54.272 54.000 0.025 0.000 0.860 364 D CB 0.121 40.936 40.800 0.025 0.000 0.955 364 D HN 0.252 nan 8.370 nan 0.000 0.505 365 L N 1.008 122.253 121.223 0.035 0.000 2.371 365 L HA 0.186 4.526 4.340 -0.001 0.000 0.272 365 L C -0.343 176.549 176.870 0.036 0.000 1.124 365 L CA -0.535 54.329 54.840 0.040 0.000 0.816 365 L CB 0.880 42.971 42.059 0.054 0.000 1.129 365 L HN -0.198 nan 8.230 nan 0.000 0.448 366 L N 4.852 126.091 121.223 0.026 0.000 2.342 366 L HA 0.596 4.935 4.340 -0.001 0.000 0.271 366 L C -2.167 174.698 176.870 -0.009 0.000 1.008 366 L CA -1.949 52.891 54.840 -0.001 0.000 0.818 366 L CB 1.374 43.421 42.059 -0.020 0.000 1.296 366 L HN 0.326 nan 8.230 nan 0.000 0.427 367 P HA 0.175 nan 4.420 nan 0.000 0.275 367 P C -0.796 176.494 177.300 -0.017 0.000 1.228 367 P CA -0.461 62.573 63.100 -0.109 0.000 0.786 367 P CB 0.676 32.206 31.700 -0.284 0.000 0.927 368 S N 1.251 116.948 115.700 -0.005 0.000 2.525 368 S HA 0.363 4.832 4.470 -0.001 0.000 0.285 368 S C 1.554 176.188 174.600 0.056 0.000 1.283 368 S CA 0.869 59.087 58.200 0.029 0.000 1.072 368 S CB -0.402 62.811 63.200 0.021 0.000 0.867 368 S HN 0.923 nan 8.310 nan 0.000 0.492 369 G N 2.523 111.372 108.800 0.082 0.000 2.195 369 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.246 369 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.246 369 G C 0.706 175.701 174.900 0.159 0.000 0.984 369 G CA 0.312 45.478 45.100 0.110 0.000 0.633 369 G HN 0.666 nan 8.290 nan 0.000 0.525 370 S N -0.742 115.068 115.700 0.182 0.000 2.559 370 S HA 0.525 4.994 4.470 -0.001 0.000 0.226 370 S C 0.871 175.657 174.600 0.310 0.000 1.000 370 S CA 0.594 58.973 58.200 0.299 0.000 0.948 370 S CB 1.127 64.567 63.200 0.400 0.000 0.870 370 S HN 0.489 nan 8.310 nan 0.000 0.497 374 L N 5.010 126.294 121.223 0.101 0.000 2.325 374 L HA 0.673 5.012 4.340 -0.001 0.000 0.278 374 L C -1.951 174.962 176.870 0.072 0.000 1.023 374 L CA -2.124 52.767 54.840 0.086 0.000 0.811 374 L CB 0.853 42.990 42.059 0.130 0.000 1.249 374 L HN 0.366 nan 8.230 nan 0.000 0.431 375 P HA 0.091 nan 4.420 nan 0.000 0.272 375 P C -0.437 176.891 177.300 0.047 0.000 1.223 375 P CA -0.352 62.769 63.100 0.034 0.000 0.784 375 P CB 0.917 32.622 31.700 0.008 0.000 0.923 376 S N 2.035 117.767 115.700 0.053 0.000 2.580 376 S HA 0.100 4.570 4.470 -0.001 0.000 0.274 376 S C 0.451 175.078 174.600 0.045 0.000 1.329 376 S CA -0.247 57.992 58.200 0.065 0.000 1.036 376 S CB -0.780 62.458 63.200 0.064 0.000 0.919 376 S HN 0.519 nan 8.310 nan 0.000 0.515 377 N N 0.490 119.223 118.700 0.054 0.000 2.725 377 N HA -0.178 4.561 4.740 -0.001 0.000 0.251 377 N C -0.576 174.941 175.510 0.012 0.000 1.031 377 N CA 1.101 54.173 53.050 0.037 0.000 0.720 377 N CB -1.881 36.626 38.487 0.032 0.000 0.930 377 N HN 0.771 nan 8.380 nan 0.000 0.543 378 A N -0.444 122.372 122.820 -0.006 0.000 2.413 378 A HA 0.765 5.084 4.320 -0.001 0.000 0.307 378 A C 0.246 177.770 177.584 -0.100 0.000 1.087 378 A CA -0.245 51.765 52.037 -0.046 0.000 0.750 378 A CB 1.316 20.285 19.000 -0.051 0.000 1.296 378 A HN 0.393 nan 8.150 nan 0.000 0.423 379 S N 1.500 117.134 115.700 -0.110 0.000 2.513 379 S HA 0.677 5.146 4.470 -0.001 0.000 0.276 379 S C -0.253 174.195 174.600 -0.255 0.000 1.254 379 S CA -0.386 57.719 58.200 -0.159 0.000 1.053 379 S CB 0.339 63.487 63.200 -0.087 0.000 0.958 379 S HN 0.485 nan 8.310 nan 0.000 0.491 380 I N 1.980 122.280 120.570 -0.450 0.000 2.509 380 I HA 0.488 4.658 4.170 -0.001 0.000 0.293 380 I C 0.016 175.895 176.117 -0.396 0.000 1.020 380 I CA -0.528 60.445 61.300 -0.545 0.000 1.088 380 I CB 1.611 38.974 38.000 -1.062 0.000 1.267 380 I HN 0.859 nan 8.210 nan 0.000 0.430 381 E N 6.350 126.417 120.200 -0.220 0.000 2.199 381 E HA 0.644 4.993 4.350 -0.001 0.000 0.265 381 E C -1.487 175.041 176.600 -0.121 0.000 0.882 381 E CA -0.524 55.808 56.400 -0.113 0.000 0.759 381 E CB 1.926 31.588 29.700 -0.062 0.000 1.148 381 E HN 0.495 nan 8.360 nan 0.000 0.412 382 I N 3.423 123.927 120.570 -0.109 0.000 2.436 382 I HA 0.258 4.427 4.170 -0.001 0.000 0.289 382 I C -0.377 175.489 176.117 -0.418 0.000 1.010 382 I CA -0.773 60.353 61.300 -0.291 0.000 1.098 382 I CB 1.946 39.760 38.000 -0.311 0.000 1.266 382 I HN 0.425 nan 8.210 nan 0.000 0.434 383 S N 4.777 120.174 115.700 -0.505 0.000 2.509 383 S HA 0.672 5.141 4.470 -0.001 0.000 0.297 383 S C -0.725 173.450 174.600 -0.707 0.000 1.118 383 S CA -0.612 57.348 58.200 -0.399 0.000 1.074 383 S CB 1.206 64.299 63.200 -0.178 0.000 1.038 383 S HN 0.413 nan 8.310 nan 0.000 0.498 384 F N 1.971 121.780 119.950 -0.236 0.000 2.471 384 F HA 0.367 4.893 4.527 -0.001 0.000 0.318 384 F C -2.438 173.209 175.800 -0.255 0.000 1.308 384 F CA -2.187 55.604 58.000 -0.349 0.000 1.162 384 F CB 0.924 39.750 39.000 -0.289 0.000 1.383 384 F HN 0.344 nan 8.300 nan 0.000 0.552 385 P HA 0.044 nan 4.420 nan 0.000 0.263 385 P C -0.071 177.240 177.300 0.019 0.000 1.195 385 P CA 0.246 63.305 63.100 -0.068 0.000 0.762 385 P CB 0.905 32.542 31.700 -0.105 0.000 0.799 386 A N 3.472 126.368 122.820 0.128 0.000 2.450 386 A HA 0.437 4.756 4.320 -0.001 0.000 0.255 386 A C 0.555 178.254 177.584 0.192 0.000 1.096 386 A CA 0.377 52.553 52.037 0.231 0.000 0.778 386 A CB -0.269 18.840 19.000 0.182 0.000 1.031 386 A HN 0.544 nan 8.150 nan 0.000 0.494 387 T N 0.744 115.462 114.554 0.274 0.000 2.909 387 T HA 0.523 4.872 4.350 -0.001 0.000 0.299 387 T C 0.808 175.635 174.700 0.211 0.000 1.073 387 T CA 0.211 62.435 62.100 0.206 0.000 0.999 387 T CB 1.432 70.413 68.868 0.189 0.000 1.098 387 T HN 1.227 nan 8.240 nan 0.000 0.477 388 A N 2.397 125.301 122.820 0.141 0.000 2.168 388 A HA 0.383 4.702 4.320 -0.001 0.000 0.215 388 A C 2.322 179.979 177.584 0.122 0.000 1.152 388 A CA 1.475 53.580 52.037 0.114 0.000 0.716 388 A CB -0.811 18.234 19.000 0.074 0.000 0.794 388 A HN 1.097 nan 8.150 nan 0.000 0.465 389 A N -0.464 122.445 122.820 0.148 0.000 2.019 389 A HA 0.366 4.685 4.320 -0.001 0.000 0.219 389 A C 1.381 179.085 177.584 0.200 0.000 1.164 389 A CA 1.296 53.427 52.037 0.156 0.000 0.644 389 A CB -0.399 18.694 19.000 0.156 0.000 0.805 389 A HN 1.161 nan 8.150 nan 0.000 0.449 390 A N 0.940 123.905 122.820 0.242 0.000 2.508 390 A HA 0.610 4.930 4.320 -0.001 0.000 0.336 390 A C -2.676 175.033 177.584 0.207 0.000 1.360 390 A CA -1.680 50.483 52.037 0.210 0.000 0.841 390 A CB 0.462 19.643 19.000 0.303 0.000 1.136 390 A HN 0.234 nan 8.150 nan 0.000 0.489 391 P HA 0.405 nan 4.420 nan 0.000 0.274 391 P C 0.785 178.043 177.300 -0.070 0.000 1.246 391 P CA 1.094 64.137 63.100 -0.095 0.000 0.795 391 P CB 1.053 32.611 31.700 -0.237 0.000 1.006 392 G N -1.041 107.698 108.800 -0.102 0.000 2.154 392 G HA2 0.003 3.962 3.960 -0.001 0.000 0.186 392 G HA3 0.003 3.962 3.960 -0.001 0.000 0.186 392 G C 0.311 174.962 174.900 -0.415 0.000 1.000 392 G CA -0.024 45.044 45.100 -0.054 0.000 0.664 392 G HN 0.803 nan 8.290 nan 0.000 0.513 393 A N 0.515 123.086 122.820 -0.415 0.000 2.466 393 A HA 0.640 4.959 4.320 -0.001 0.000 0.238 393 A C -1.429 176.095 177.584 -0.101 0.000 1.074 393 A CA -0.296 51.533 52.037 -0.347 0.000 0.774 393 A CB -0.026 18.925 19.000 -0.081 0.000 1.015 393 A HN 0.245 nan 8.150 nan 0.000 0.498 394 P HA 0.278 nan 4.420 nan 0.000 0.287 394 P C -0.852 176.399 177.300 -0.082 0.000 1.281 394 P CA -0.110 62.964 63.100 -0.043 0.000 0.781 394 P CB 0.494 32.216 31.700 0.037 0.000 0.903 395 H N 4.518 123.648 119.070 0.099 0.000 2.800 395 H HA 0.170 4.726 4.556 -0.001 0.000 0.291 395 H C -2.026 173.299 175.328 -0.005 0.000 1.076 395 H CA -1.687 54.413 56.048 0.087 0.000 1.452 395 H CB 0.277 30.157 29.762 0.198 0.000 1.461 395 H HN 0.292 nan 8.280 nan 0.000 0.488 396 P HA 0.147 nan 4.420 nan 0.000 0.291 396 P C -0.547 176.703 177.300 -0.083 0.000 1.340 396 P CA -0.313 62.759 63.100 -0.047 0.000 0.799 396 P CB -0.009 31.695 31.700 0.007 0.000 0.917 397 F N 2.988 122.776 119.950 -0.270 0.000 2.385 397 F HA 0.365 4.891 4.527 -0.001 0.000 0.336 397 F C 1.129 176.842 175.800 -0.145 0.000 1.100 397 F CA 0.266 58.047 58.000 -0.365 0.000 1.116 397 F CB 0.891 39.415 39.000 -0.793 0.000 1.166 397 F HN 0.388 nan 8.300 nan 0.000 0.511 398 H N 3.503 122.474 119.070 -0.165 0.000 2.589 398 H HA 0.571 5.127 4.556 -0.001 0.000 0.351 398 H C -1.822 173.515 175.328 0.014 0.000 1.074 398 H CA -1.013 55.026 56.048 -0.015 0.000 1.203 398 H CB 1.562 31.345 29.762 0.034 0.000 1.558 398 H HN 0.543 nan 8.280 nan 0.000 0.522 399 L N 5.914 126.948 121.223 -0.315 0.000 2.305 399 L HA 0.339 4.678 4.340 -0.001 0.000 0.284 399 L C -0.625 175.967 176.870 -0.464 0.000 1.013 399 L CA -0.239 54.445 54.840 -0.261 0.000 0.819 399 L CB 0.591 42.593 42.059 -0.094 0.000 1.227 399 L HN 0.776 nan 8.230 nan 0.000 0.417 400 H N 3.697 122.548 119.070 -0.365 0.000 2.607 400 H HA 0.261 4.816 4.556 -0.001 0.000 0.367 400 H C 0.970 176.126 175.328 -0.286 0.000 1.181 400 H CA 0.480 56.434 56.048 -0.157 0.000 1.402 400 H CB 1.019 30.890 29.762 0.182 0.000 1.474 400 H HN 0.948 nan 8.280 nan 0.000 0.596 401 G N 1.357 109.883 108.800 -0.457 0.000 2.175 401 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.265 401 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.265 401 G C 0.021 174.315 174.900 -1.009 0.000 0.979 401 G CA 0.484 44.786 45.100 -1.329 0.000 0.663 401 G HN 0.798 nan 8.290 nan 0.000 0.533 402 H N -1.842 117.080 119.070 -0.247 0.000 3.046 402 H HA 0.500 5.055 4.556 -0.001 0.000 0.363 402 H C -0.866 174.521 175.328 0.097 0.000 1.203 402 H CA -0.426 55.534 56.048 -0.147 0.000 1.169 402 H CB 2.064 31.631 29.762 -0.326 0.000 1.851 402 H HN 0.125 nan 8.280 nan 0.000 0.546 403 V N 3.476 123.590 119.914 0.333 0.000 2.532 403 V HA 0.327 4.446 4.120 -0.001 0.000 0.295 403 V C -0.447 175.813 176.094 0.277 0.000 1.041 403 V CA -0.600 61.820 62.300 0.199 0.000 0.926 403 V CB 0.920 32.932 31.823 0.316 0.000 0.992 403 V HN 0.536 nan 8.190 nan 0.000 0.457 404 F N 1.843 121.926 119.950 0.222 0.000 2.577 404 F HA 0.928 5.454 4.527 -0.001 0.000 0.318 404 F C 0.113 175.729 175.800 -0.306 0.000 1.065 404 F CA -1.627 56.424 58.000 0.085 0.000 0.929 404 F CB 1.239 40.284 39.000 0.075 0.000 1.237 404 F HN 0.538 nan 8.300 nan 0.000 0.468 405 A N 1.566 124.070 122.820 -0.527 0.000 2.409 405 A HA 0.559 4.878 4.320 -0.001 0.000 0.262 405 A C -0.464 177.053 177.584 -0.113 0.000 1.113 405 A CA -0.610 50.901 52.037 -0.876 0.000 0.790 405 A CB 0.207 18.624 19.000 -0.972 0.000 1.046 405 A HN 0.762 nan 8.150 nan 0.000 0.496 406 V N 5.529 125.412 119.914 -0.051 0.000 2.276 406 V HA 0.068 4.188 4.120 -0.001 0.000 0.249 406 V C 1.518 177.597 176.094 -0.024 0.000 1.160 406 V CA 0.388 62.719 62.300 0.053 0.000 1.042 406 V CB -0.061 31.809 31.823 0.079 0.000 1.224 406 V HN 0.887 nan 8.190 nan 0.000 0.496 407 V N 1.899 121.800 119.914 -0.021 0.000 2.427 407 V HA 0.076 4.195 4.120 -0.001 0.000 0.248 407 V C 1.082 177.079 176.094 -0.161 0.000 1.051 407 V CA 0.986 63.245 62.300 -0.069 0.000 1.048 407 V CB -0.380 31.449 31.823 0.010 0.000 0.666 407 V HN 0.690 nan 8.190 nan 0.000 0.456 408 R N 0.349 120.747 120.500 -0.170 0.000 2.476 408 R HA 0.552 4.891 4.340 -0.001 0.000 0.305 408 R C -0.707 175.494 176.300 -0.164 0.000 0.965 408 R CA -0.177 55.733 56.100 -0.316 0.000 0.867 408 R CB 1.934 31.839 30.300 -0.657 0.000 1.176 408 R HN 0.451 nan 8.270 nan 0.000 0.447 409 S N 1.673 117.291 115.700 -0.136 0.000 2.693 409 S HA 0.514 4.983 4.470 -0.001 0.000 0.276 409 S C -0.239 174.314 174.600 -0.079 0.000 1.192 409 S CA -0.599 57.554 58.200 -0.078 0.000 0.994 409 S CB 1.564 64.735 63.200 -0.049 0.000 1.012 409 S HN 0.745 nan 8.310 nan 0.000 0.550 410 A N 0.292 123.078 122.820 -0.056 0.000 2.462 410 A HA 0.514 4.833 4.320 -0.001 0.000 0.243 410 A C 1.378 178.949 177.584 -0.022 0.000 1.076 410 A CA 0.231 52.243 52.037 -0.041 0.000 0.773 410 A CB -1.075 17.895 19.000 -0.051 0.000 1.010 410 A HN 1.809 nan 8.150 nan 0.000 0.493 411 G N 0.264 109.055 108.800 -0.015 0.000 2.148 411 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.254 411 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.254 411 G C 0.309 175.195 174.900 -0.023 0.000 0.981 411 G CA 0.801 45.897 45.100 -0.007 0.000 0.670 411 G HN 1.863 nan 8.290 nan 0.000 0.528 412 S N -1.333 114.336 115.700 -0.051 0.000 2.549 412 S HA 0.720 5.190 4.470 -0.001 0.000 0.280 412 S C 1.051 175.582 174.600 -0.115 0.000 1.109 412 S CA 0.861 59.018 58.200 -0.073 0.000 0.905 412 S CB 1.646 64.795 63.200 -0.086 0.000 1.081 412 S HN 1.026 nan 8.310 nan 0.000 0.477 413 T N 0.348 114.843 114.554 -0.098 0.000 3.023 413 T HA 0.283 4.632 4.350 -0.001 0.000 0.253 413 T C 0.372 174.982 174.700 -0.150 0.000 1.038 413 T CA -0.015 62.022 62.100 -0.106 0.000 0.962 413 T CB -0.164 68.692 68.868 -0.020 0.000 1.018 413 T HN 0.345 nan 8.240 nan 0.000 0.521 414 V N 2.225 122.046 119.914 -0.154 0.000 2.614 414 V HA 0.275 4.394 4.120 -0.001 0.000 0.291 414 V C -0.607 175.309 176.094 -0.297 0.000 1.049 414 V CA -0.671 61.557 62.300 -0.119 0.000 1.038 414 V CB -0.186 31.599 31.823 -0.062 0.000 0.980 414 V HN 0.409 nan 8.190 nan 0.000 0.481 415 Y N 3.134 123.338 120.300 -0.161 0.000 2.369 415 Y HA 0.361 4.910 4.550 -0.001 0.000 0.337 415 Y C 0.548 176.136 175.900 -0.520 0.000 0.961 415 Y CA -0.493 57.373 58.100 -0.389 0.000 1.186 415 Y CB 0.960 39.142 38.460 -0.465 0.000 1.139 415 Y HN 0.582 nan 8.280 nan 0.000 0.494 416 N N 3.128 121.633 118.700 -0.325 0.000 2.527 416 N HA 0.105 4.844 4.740 -0.001 0.000 0.236 416 N C -0.784 174.606 175.510 -0.201 0.000 0.999 416 N CA -0.279 52.662 53.050 -0.182 0.000 0.935 416 N CB 0.270 38.740 38.487 -0.030 0.000 1.132 416 N HN 0.491 nan 8.380 nan 0.000 0.511 417 Y N 0.863 121.232 120.300 0.114 0.000 2.458 417 Y HA 0.225 4.774 4.550 -0.001 0.000 0.256 417 Y C 1.984 177.943 175.900 0.097 0.000 1.159 417 Y CA -0.175 57.984 58.100 0.097 0.000 1.261 417 Y CB 0.285 38.790 38.460 0.075 0.000 1.119 417 Y HN 0.481 nan 8.280 nan 0.000 0.524 418 S N 0.988 116.806 115.700 0.197 0.000 2.559 418 S HA -0.010 4.460 4.470 -0.001 0.000 0.212 418 S C 1.078 175.770 174.600 0.153 0.000 0.994 418 S CA 0.800 59.093 58.200 0.154 0.000 0.903 418 S CB -0.103 63.161 63.200 0.105 0.000 0.861 418 S HN 0.529 nan 8.310 nan 0.000 0.601 419 N N 1.080 119.867 118.700 0.145 0.000 2.571 419 N HA 0.360 5.099 4.740 -0.001 0.000 0.298 419 N C -3.146 172.552 175.510 0.314 0.000 1.671 419 N CA -1.371 51.790 53.050 0.185 0.000 0.900 419 N CB 0.528 39.045 38.487 0.049 0.000 1.365 419 N HN 0.265 nan 8.380 nan 0.000 0.493 420 P HA 0.167 nan 4.420 nan 0.000 0.274 420 P C 0.392 177.828 177.300 0.227 0.000 1.237 420 P CA -0.605 62.614 63.100 0.198 0.000 0.793 420 P CB 1.284 33.018 31.700 0.056 0.000 0.977 421 I N 1.247 121.903 120.570 0.142 0.000 2.813 421 I HA 0.089 4.258 4.170 -0.001 0.000 0.287 421 I C -0.214 175.987 176.117 0.140 0.000 1.196 421 I CA -0.033 61.368 61.300 0.168 0.000 1.421 421 I CB -0.615 37.430 38.000 0.076 0.000 1.365 421 I HN 0.149 nan 8.210 nan 0.000 0.591 422 F N 6.989 126.955 119.950 0.027 0.000 2.450 422 F HA 0.632 5.158 4.527 -0.001 0.000 0.332 422 F C 0.516 176.228 175.800 -0.148 0.000 1.093 422 F CA -0.267 57.719 58.000 -0.024 0.000 1.003 422 F CB 0.984 39.992 39.000 0.014 0.000 1.151 422 F HN 0.485 nan 8.300 nan 0.000 0.474 423 R N 0.496 120.845 120.500 -0.251 0.000 3.014 423 R HA 0.457 4.796 4.340 -0.001 0.000 0.262 423 R C -1.397 174.386 176.300 -0.861 0.000 1.066 423 R CA -0.610 55.251 56.100 -0.397 0.000 0.939 423 R CB 1.001 31.139 30.300 -0.270 0.000 1.372 423 R HN 0.515 nan 8.270 nan 0.000 0.431 424 D N -0.888 119.198 120.400 -0.524 0.000 2.502 424 D HA 0.196 4.835 4.640 -0.001 0.000 0.232 424 D C -0.409 176.069 176.300 0.297 0.000 1.137 424 D CA -0.061 53.767 54.000 -0.286 0.000 0.827 424 D CB 0.963 41.797 40.800 0.057 0.000 1.141 424 D HN 0.149 nan 8.370 nan 0.000 0.517 425 V N 1.103 121.123 119.914 0.177 0.000 2.531 425 V HA 0.595 4.714 4.120 -0.001 0.000 0.301 425 V C -0.971 175.231 176.094 0.179 0.000 1.034 425 V CA -1.068 61.385 62.300 0.256 0.000 0.865 425 V CB 2.156 34.026 31.823 0.079 0.000 0.995 425 V HN 0.072 nan 8.190 nan 0.000 0.424 426 V N 4.072 124.096 119.914 0.182 0.000 2.638 426 V HA 0.593 4.712 4.120 -0.001 0.000 0.306 426 V C 0.197 176.194 176.094 -0.162 0.000 1.052 426 V CA -0.210 62.116 62.300 0.043 0.000 0.885 426 V CB 2.476 34.399 31.823 0.167 0.000 0.999 426 V HN 0.982 nan 8.190 nan 0.000 0.424 427 S N 3.558 119.028 115.700 -0.383 0.000 2.533 427 S HA 0.122 4.591 4.470 -0.001 0.000 0.282 427 S C 1.278 175.709 174.600 -0.282 0.000 1.304 427 S CA 0.377 58.218 58.200 -0.598 0.000 1.063 427 S CB 0.923 63.332 63.200 -1.317 0.000 0.881 427 S HN 1.191 nan 8.310 nan 0.000 0.493 428 T N 2.401 116.866 114.554 -0.148 0.000 3.107 428 T HA 0.469 4.818 4.350 -0.001 0.000 0.249 428 T C 1.291 176.005 174.700 0.024 0.000 1.096 428 T CA 0.414 62.497 62.100 -0.028 0.000 1.012 428 T CB -0.848 68.066 68.868 0.076 0.000 0.977 428 T HN 1.500 nan 8.240 nan 0.000 0.527 429 G N 1.551 110.329 108.800 -0.037 0.000 2.525 429 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.248 429 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.248 429 G C -0.099 174.834 174.900 0.055 0.000 1.238 429 G CA 0.076 45.177 45.100 0.002 0.000 0.926 429 G HN 1.442 nan 8.290 nan 0.000 0.574 430 T N -1.943 112.648 114.554 0.061 0.000 2.900 430 T HA 0.755 5.105 4.350 -0.001 0.000 0.295 430 T C -1.373 173.374 174.700 0.078 0.000 1.044 430 T CA -0.569 61.574 62.100 0.071 0.000 0.995 430 T CB 3.086 71.986 68.868 0.053 0.000 1.072 430 T HN 0.528 nan 8.240 nan 0.000 0.473 431 P HA 0.003 nan 4.420 nan 0.000 0.223 431 P C 1.555 178.888 177.300 0.056 0.000 1.151 431 P CA 0.865 64.014 63.100 0.082 0.000 0.787 431 P CB -0.230 31.527 31.700 0.095 0.000 0.788 432 A N 1.058 123.907 122.820 0.048 0.000 1.908 432 A HA -0.055 4.264 4.320 -0.001 0.000 0.218 432 A C 2.370 179.973 177.584 0.031 0.000 1.181 432 A CA 2.090 54.148 52.037 0.035 0.000 0.627 432 A CB -1.438 17.581 19.000 0.031 0.000 0.818 432 A HN 0.256 nan 8.150 nan 0.000 0.445 433 A N -1.731 121.108 122.820 0.032 0.000 2.251 433 A HA 0.419 4.738 4.320 -0.001 0.000 0.209 433 A C 1.706 179.304 177.584 0.024 0.000 1.187 433 A CA 1.117 53.169 52.037 0.024 0.000 0.823 433 A CB -1.006 18.007 19.000 0.021 0.000 0.846 433 A HN 1.935 nan 8.150 nan 0.000 0.486 434 G N 0.417 109.236 108.800 0.032 0.000 2.273 434 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.280 434 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.280 434 G C -0.422 174.495 174.900 0.028 0.000 1.047 434 G CA 0.222 45.341 45.100 0.032 0.000 0.869 434 G HN 0.482 nan 8.290 nan 0.000 0.502 435 D N -0.170 120.249 120.400 0.032 0.000 2.443 435 D HA 0.228 4.867 4.640 -0.001 0.000 0.239 435 D C 0.617 176.934 176.300 0.028 0.000 1.136 435 D CA 0.407 54.420 54.000 0.020 0.000 0.879 435 D CB 0.705 41.522 40.800 0.028 0.000 1.195 435 D HN 0.226 nan 8.370 nan 0.000 0.443 436 N N 1.898 120.601 118.700 0.006 0.000 2.711 436 N HA 0.078 4.817 4.740 -0.001 0.000 0.263 436 N C -1.423 174.092 175.510 0.010 0.000 1.667 436 N CA -0.347 52.715 53.050 0.020 0.000 0.785 436 N CB 0.400 38.912 38.487 0.041 0.000 1.231 436 N HN -0.018 nan 8.380 nan 0.000 0.503 437 V N 1.524 121.460 119.914 0.036 0.000 2.540 437 V HA 0.165 4.285 4.120 -0.001 0.000 0.297 437 V C 0.455 176.626 176.094 0.128 0.000 1.024 437 V CA 0.555 62.878 62.300 0.039 0.000 1.105 437 V CB 0.630 32.467 31.823 0.022 0.000 0.938 437 V HN 0.424 nan 8.190 nan 0.000 0.482 438 T N 6.622 121.222 114.554 0.076 0.000 2.886 438 T HA 0.690 5.040 4.350 -0.001 0.000 0.292 438 T C -0.353 174.399 174.700 0.087 0.000 1.012 438 T CA -0.315 61.847 62.100 0.103 0.000 0.982 438 T CB 1.461 70.430 68.868 0.167 0.000 1.018 438 T HN 0.651 nan 8.240 nan 0.000 0.451 439 I N -0.197 120.418 120.570 0.076 0.000 2.846 439 I HA 0.845 5.014 4.170 -0.001 0.000 0.307 439 I C -0.833 175.343 176.117 0.098 0.000 1.053 439 I CA -1.290 60.037 61.300 0.045 0.000 1.050 439 I CB 2.195 40.052 38.000 -0.238 0.000 1.239 439 I HN 0.364 nan 8.210 nan 0.000 0.439 440 R N 3.394 123.986 120.500 0.153 0.000 2.621 440 R HA 0.690 5.029 4.340 -0.001 0.000 0.284 440 R C -1.735 174.739 176.300 0.290 0.000 0.998 440 R CA -0.588 55.595 56.100 0.138 0.000 0.895 440 R CB 2.452 32.801 30.300 0.082 0.000 1.195 440 R HN 0.750 nan 8.270 nan 0.000 0.450 441 F N -0.122 119.857 119.950 0.048 0.000 2.662 441 F HA 0.608 5.134 4.527 -0.001 0.000 0.312 441 F C -1.754 174.059 175.800 0.022 0.000 1.113 441 F CA -1.380 56.663 58.000 0.071 0.000 0.951 441 F CB 1.100 40.111 39.000 0.017 0.000 1.344 441 F HN 0.195 nan 8.300 nan 0.000 0.462 442 L N 1.331 122.652 121.223 0.165 0.000 2.322 442 L HA 0.516 4.855 4.340 -0.001 0.000 0.279 442 L C 0.168 177.136 176.870 0.164 0.000 1.036 442 L CA -0.963 53.912 54.840 0.058 0.000 0.807 442 L CB 2.207 44.325 42.059 0.098 0.000 1.226 442 L HN 0.858 nan 8.230 nan 0.000 0.433 443 T N -1.861 112.743 114.554 0.083 0.000 3.688 443 T HA 0.121 4.471 4.350 -0.001 0.000 0.307 443 T C 0.572 175.394 174.700 0.204 0.000 1.382 443 T CA -0.648 61.577 62.100 0.210 0.000 1.136 443 T CB -0.932 68.014 68.868 0.130 0.000 1.207 443 T HN 0.752 nan 8.240 nan 0.000 0.854 444 N N 1.140 119.979 118.700 0.231 0.000 2.214 444 N HA 0.057 4.796 4.740 -0.001 0.000 0.214 444 N C -0.106 175.455 175.510 0.085 0.000 1.132 444 N CA -0.656 52.460 53.050 0.110 0.000 0.856 444 N CB 0.256 38.764 38.487 0.035 0.000 1.020 444 N HN 0.271 nan 8.380 nan 0.000 0.509 445 N N 1.439 120.239 118.700 0.167 0.000 2.675 445 N HA 0.306 5.045 4.740 -0.001 0.000 0.254 445 N C -3.066 172.701 175.510 0.428 0.000 1.224 445 N CA -1.599 51.550 53.050 0.165 0.000 0.777 445 N CB 1.385 39.755 38.487 -0.195 0.000 1.256 445 N HN -0.038 nan 8.380 nan 0.000 0.531 446 P HA 0.343 nan 4.420 nan 0.000 0.264 446 P C 0.053 177.474 177.300 0.202 0.000 1.193 446 P CA 0.441 63.689 63.100 0.246 0.000 0.763 446 P CB 0.663 32.447 31.700 0.140 0.000 0.810 447 G N 3.492 112.322 108.800 0.050 0.000 2.345 447 G HA2 0.201 4.161 3.960 -0.001 0.000 0.310 447 G HA3 0.201 4.161 3.960 -0.001 0.000 0.310 447 G C -3.476 171.072 174.900 -0.588 0.000 1.476 447 G CA -0.916 43.966 45.100 -0.363 0.000 0.978 447 G HN 0.254 nan 8.290 nan 0.000 0.656 448 P HA 0.456 nan 4.420 nan 0.000 0.287 448 P C -1.130 175.784 177.300 -0.644 0.000 1.281 448 P CA -0.059 62.787 63.100 -0.424 0.000 0.781 448 P CB 0.368 31.926 31.700 -0.237 0.000 0.903 449 W N 3.110 124.453 121.300 0.071 0.000 2.656 449 W HA 0.392 5.052 4.660 -0.001 0.000 0.327 449 W C -0.247 176.319 176.519 0.079 0.000 1.041 449 W CA -0.840 56.546 57.345 0.069 0.000 1.229 449 W CB 1.197 30.753 29.460 0.159 0.000 1.397 449 W HN 0.223 nan 8.180 nan 0.000 0.479 450 F N 4.165 124.062 119.950 -0.089 0.000 2.443 450 F HA 0.419 4.945 4.527 -0.001 0.000 0.353 450 F C -0.282 175.511 175.800 -0.010 0.000 1.101 450 F CA -1.178 56.674 58.000 -0.248 0.000 1.226 450 F CB 0.687 39.267 39.000 -0.700 0.000 1.140 450 F HN 0.091 nan 8.300 nan 0.000 0.557 451 L N 6.889 128.162 121.223 0.083 0.000 2.406 451 L HA 0.432 4.771 4.340 -0.001 0.000 0.270 451 L C -1.434 175.376 176.870 -0.101 0.000 0.982 451 L CA -0.224 54.631 54.840 0.025 0.000 0.843 451 L CB 1.035 43.184 42.059 0.150 0.000 1.225 451 L HN 0.775 nan 8.230 nan 0.000 0.412 452 H N 1.590 120.481 119.070 -0.299 0.000 3.014 452 H HA 0.472 5.027 4.556 -0.001 0.000 0.337 452 H C -0.986 173.719 175.328 -1.039 0.000 1.320 452 H CA -0.983 54.673 56.048 -0.653 0.000 1.128 452 H CB 0.740 29.992 29.762 -0.850 0.000 1.862 452 H HN 0.668 nan 8.280 nan 0.000 0.536 453 C N 2.240 120.634 119.300 -1.510 0.000 2.648 453 C HA 0.058 4.518 4.460 -0.001 0.000 0.419 453 C C 1.321 176.109 174.990 -0.335 0.000 1.352 453 C CA 0.064 58.312 59.018 -1.283 0.000 1.816 453 C CB -0.927 26.168 27.740 -1.076 0.000 2.598 453 C HN 0.995 nan 8.230 nan 0.000 0.598 454 H N 4.083 123.003 119.070 -0.250 0.000 2.526 454 H HA 0.283 4.838 4.556 -0.001 0.000 0.274 454 H C 0.500 175.851 175.328 0.039 0.000 0.999 454 H CA 0.295 56.363 56.048 0.033 0.000 1.157 454 H CB 0.055 29.855 29.762 0.063 0.000 1.407 454 H HN 0.651 nan 8.280 nan 0.000 0.568 455 I N 1.580 122.170 120.570 0.033 0.000 2.421 455 I HA -0.105 4.065 4.170 -0.001 0.000 0.291 455 I C 1.415 177.466 176.117 -0.110 0.000 1.089 455 I CA 0.058 61.309 61.300 -0.080 0.000 1.354 455 I CB 0.764 38.543 38.000 -0.368 0.000 1.413 455 I HN 0.001 nan 8.210 nan 0.000 0.513 456 D N 4.896 125.163 120.400 -0.223 0.000 2.178 456 D HA -0.171 4.468 4.640 -0.001 0.000 0.202 456 D C 1.771 177.912 176.300 -0.265 0.000 0.974 456 D CA 1.686 55.484 54.000 -0.338 0.000 0.841 456 D CB 0.139 40.534 40.800 -0.675 0.000 0.953 456 D HN 0.461 nan 8.370 nan 0.000 0.478 457 F N -0.168 119.798 119.950 0.027 0.000 2.234 457 F HA -0.037 4.490 4.527 -0.001 0.000 0.299 457 F C 2.380 178.483 175.800 0.505 0.000 1.087 457 F CA 1.035 59.148 58.000 0.189 0.000 1.340 457 F CB -0.730 38.424 39.000 0.257 0.000 1.031 457 F HN 0.257 nan 8.300 nan 0.000 0.500 458 H N -0.838 118.456 119.070 0.374 0.000 2.372 458 H HA -0.055 4.500 4.556 -0.001 0.000 0.301 458 H C 2.435 177.824 175.328 0.101 0.000 1.065 458 H CA 0.703 56.834 56.048 0.139 0.000 1.364 458 H CB -0.193 29.371 29.762 -0.330 0.000 1.406 458 H HN 0.172 nan 8.280 nan 0.000 0.521 459 L N 1.212 122.521 121.223 0.143 0.000 2.013 459 L HA -0.249 4.090 4.340 -0.001 0.000 0.212 459 L C 2.516 179.461 176.870 0.125 0.000 1.073 459 L CA 1.692 56.545 54.840 0.022 0.000 0.753 459 L CB -0.185 41.780 42.059 -0.157 0.000 0.890 459 L HN 0.289 nan 8.230 nan 0.000 0.432 460 E N 0.113 120.405 120.200 0.153 0.000 2.118 460 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 460 E C 1.784 178.522 176.600 0.231 0.000 0.992 460 E CA 1.490 57.993 56.400 0.171 0.000 0.804 460 E CB -0.445 29.337 29.700 0.137 0.000 0.741 460 E HN 0.482 nan 8.360 nan 0.000 0.458 461 G N -1.336 107.683 108.800 0.364 0.000 2.848 461 G HA2 0.153 4.113 3.960 -0.001 0.000 0.208 461 G HA3 0.153 4.113 3.960 -0.001 0.000 0.208 461 G C 0.953 176.032 174.900 0.299 0.000 1.152 461 G CA 0.335 45.679 45.100 0.407 0.000 0.789 461 G HN 0.648 nan 8.290 nan 0.000 0.531 462 G N -0.967 108.009 108.800 0.292 0.000 2.131 462 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.201 462 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.201 462 G C 0.196 175.308 174.900 0.353 0.000 1.000 462 G CA -0.153 45.121 45.100 0.291 0.000 0.680 462 G HN 0.281 nan 8.290 nan 0.000 0.514 463 F N 1.985 121.982 119.950 0.078 0.000 2.666 463 F HA 0.656 5.183 4.527 -0.001 0.000 0.362 463 F C 0.673 176.407 175.800 -0.109 0.000 1.190 463 F CA -0.659 57.308 58.000 -0.055 0.000 1.328 463 F CB -0.411 38.328 39.000 -0.436 0.000 1.682 463 F HN 0.694 nan 8.300 nan 0.000 0.623 464 A N 1.761 124.661 122.820 0.134 0.000 2.589 464 A HA 0.769 5.088 4.320 -0.001 0.000 0.296 464 A C -1.342 176.275 177.584 0.054 0.000 1.062 464 A CA -0.321 51.613 52.037 -0.171 0.000 0.686 464 A CB 1.479 20.061 19.000 -0.696 0.000 1.282 464 A HN 0.423 nan 8.150 nan 0.000 0.404 465 V N -1.485 118.450 119.914 0.034 0.000 3.160 465 V HA 0.932 5.051 4.120 -0.001 0.000 0.310 465 V C -0.866 175.379 176.094 0.252 0.000 1.181 465 V CA -0.892 61.549 62.300 0.236 0.000 1.047 465 V CB 1.564 33.544 31.823 0.261 0.000 1.068 465 V HN 0.965 nan 8.190 nan 0.000 0.441 466 V N 2.032 122.138 119.914 0.320 0.000 2.417 466 V HA 0.482 4.602 4.120 -0.001 0.000 0.291 466 V C -0.532 175.704 176.094 0.238 0.000 1.024 466 V CA -0.413 62.060 62.300 0.287 0.000 0.861 466 V CB 1.534 33.505 31.823 0.247 0.000 0.985 466 V HN 0.941 nan 8.190 nan 0.000 0.436 467 Q N 3.577 123.528 119.800 0.251 0.000 2.377 467 Q HA 0.496 4.835 4.340 -0.001 0.000 0.249 467 Q C 0.059 176.205 176.000 0.243 0.000 1.005 467 Q CA -0.151 55.810 55.803 0.262 0.000 0.912 467 Q CB 1.660 30.592 28.738 0.324 0.000 1.223 467 Q HN 0.816 nan 8.270 nan 0.000 0.459 468 A N 3.408 126.333 122.820 0.175 0.000 2.316 468 A HA 0.268 4.587 4.320 -0.001 0.000 0.311 468 A C -0.009 177.666 177.584 0.152 0.000 1.339 468 A CA -0.397 51.710 52.037 0.117 0.000 0.960 468 A CB 0.160 19.209 19.000 0.082 0.000 1.152 468 A HN 0.654 nan 8.150 nan 0.000 0.547 469 E N 2.787 123.103 120.200 0.193 0.000 2.156 469 E HA 0.305 4.654 4.350 -0.001 0.000 0.279 469 E C -0.707 175.999 176.600 0.177 0.000 0.965 469 E CA -0.473 56.079 56.400 0.254 0.000 0.789 469 E CB 0.597 30.581 29.700 0.473 0.000 1.098 469 E HN 0.658 nan 8.360 nan 0.000 0.397 470 D N 3.521 124.006 120.400 0.141 0.000 2.735 470 D HA -0.169 4.471 4.640 -0.001 0.000 0.235 470 D C 0.887 177.233 176.300 0.077 0.000 1.175 470 D CA 0.947 55.009 54.000 0.104 0.000 0.683 470 D CB -0.955 39.916 40.800 0.118 0.000 1.008 470 D HN 0.338 nan 8.370 nan 0.000 0.416 471 V N -1.747 118.205 119.914 0.064 0.000 2.392 471 V HA -0.107 4.012 4.120 -0.001 0.000 0.249 471 V C -0.538 175.578 176.094 0.036 0.000 1.059 471 V CA 1.524 63.850 62.300 0.043 0.000 1.051 471 V CB -1.631 30.217 31.823 0.041 0.000 0.658 471 V HN 0.277 nan 8.190 nan 0.000 0.455 472 P HA 0.041 nan 4.420 nan 0.000 0.230 472 P C 0.740 178.059 177.300 0.032 0.000 1.158 472 P CA 1.294 64.414 63.100 0.032 0.000 0.769 472 P CB -0.084 31.635 31.700 0.031 0.000 0.807 473 D N -1.977 118.446 120.400 0.039 0.000 2.379 473 D HA 0.033 4.672 4.640 -0.001 0.000 0.208 473 D C 1.872 178.194 176.300 0.036 0.000 1.065 473 D CA 0.164 54.188 54.000 0.040 0.000 0.848 473 D CB -0.160 40.670 40.800 0.050 0.000 0.949 473 D HN -0.083 nan 8.370 nan 0.000 0.509 474 V N 1.387 121.317 119.914 0.028 0.000 2.282 474 V HA -0.293 3.826 4.120 -0.001 0.000 0.249 474 V C 2.521 178.614 176.094 -0.001 0.000 1.057 474 V CA 1.832 64.137 62.300 0.009 0.000 1.032 474 V CB -0.364 31.450 31.823 -0.016 0.000 0.645 474 V HN 0.171 nan 8.190 nan 0.000 0.447 475 K N 0.172 120.572 120.400 -0.000 0.000 2.032 475 K HA -0.202 4.117 4.320 -0.001 0.000 0.209 475 K C 2.159 178.760 176.600 0.003 0.000 1.048 475 K CA 1.766 58.050 56.287 -0.006 0.000 0.927 475 K CB -0.382 32.120 32.500 0.003 0.000 0.712 475 K HN 0.427 nan 8.250 nan 0.000 0.441 476 A N 0.133 122.962 122.820 0.015 0.000 1.930 476 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 476 A C 2.127 179.729 177.584 0.030 0.000 1.175 476 A CA 1.985 54.034 52.037 0.021 0.000 0.627 476 A CB -0.751 18.263 19.000 0.024 0.000 0.815 476 A HN 0.438 nan 8.150 nan 0.000 0.443 477 T N 0.657 115.233 114.554 0.038 0.000 2.896 477 T HA -0.016 4.333 4.350 -0.001 0.000 0.263 477 T C 0.709 175.449 174.700 0.065 0.000 1.050 477 T CA 0.928 63.061 62.100 0.055 0.000 1.140 477 T CB -0.206 68.702 68.868 0.066 0.000 0.877 477 T HN 0.486 nan 8.240 nan 0.000 0.457 478 N N 2.416 121.146 118.700 0.051 0.000 2.990 478 N HA 0.206 4.946 4.740 -0.001 0.000 0.288 478 N C -2.977 172.565 175.510 0.053 0.000 1.624 478 N CA -0.999 52.101 53.050 0.084 0.000 0.961 478 N CB 1.171 39.686 38.487 0.047 0.000 1.259 478 N HN 0.325 nan 8.380 nan 0.000 0.489 479 P HA -0.011 nan 4.420 nan 0.000 0.268 479 P C 0.186 177.384 177.300 -0.171 0.000 1.204 479 P CA -0.040 63.037 63.100 -0.039 0.000 0.768 479 P CB 0.968 32.663 31.700 -0.008 0.000 0.842 480 V N 1.678 121.398 119.914 -0.323 0.000 2.472 480 V HA 0.596 4.715 4.120 -0.001 0.000 0.290 480 V C -2.071 173.743 176.094 -0.467 0.000 1.037 480 V CA -2.464 59.433 62.300 -0.673 0.000 0.908 480 V CB 0.922 32.343 31.823 -0.671 0.000 0.985 480 V HN 0.426 nan 8.190 nan 0.000 0.454 481 P HA 0.216 nan 4.420 nan 0.000 0.274 481 P C 0.257 177.498 177.300 -0.100 0.000 1.237 481 P CA -0.200 62.702 63.100 -0.330 0.000 0.793 481 P CB 1.311 32.753 31.700 -0.431 0.000 0.977 482 Q N 2.301 122.076 119.800 -0.040 0.000 2.112 482 Q HA -0.203 4.136 4.340 -0.001 0.000 0.206 482 Q C 2.028 178.063 176.000 0.059 0.000 0.987 482 Q CA 2.612 58.425 55.803 0.017 0.000 0.858 482 Q CB -1.301 27.441 28.738 0.007 0.000 0.905 482 Q HN 0.576 nan 8.270 nan 0.000 0.420 483 A N -0.793 122.081 122.820 0.090 0.000 1.940 483 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 483 A C 1.936 179.673 177.584 0.256 0.000 1.176 483 A CA 1.480 53.634 52.037 0.195 0.000 0.631 483 A CB -1.292 17.861 19.000 0.255 0.000 0.814 483 A HN 0.735 nan 8.150 nan 0.000 0.446 484 W N 1.055 122.417 121.300 0.103 0.000 2.379 484 W HA -0.143 4.516 4.660 -0.001 0.000 0.307 484 W C 2.375 178.823 176.519 -0.118 0.000 1.200 484 W CA 1.968 59.289 57.345 -0.040 0.000 1.297 484 W CB -0.299 29.106 29.460 -0.092 0.000 1.140 484 W HN 0.272 nan 8.180 nan 0.000 0.507 485 S N 0.332 116.115 115.700 0.138 0.000 2.419 485 S HA -0.204 4.265 4.470 -0.001 0.000 0.235 485 S C 1.039 175.534 174.600 -0.176 0.000 1.019 485 S CA 1.664 59.846 58.200 -0.030 0.000 0.982 485 S CB -0.438 62.818 63.200 0.094 0.000 0.789 485 S HN 0.302 nan 8.310 nan 0.000 0.490 486 D N 0.780 121.097 120.400 -0.138 0.000 2.348 486 D HA 0.158 4.797 4.640 -0.001 0.000 0.211 486 D C 1.680 177.851 176.300 -0.216 0.000 0.998 486 D CA 0.151 54.073 54.000 -0.129 0.000 0.873 486 D CB -0.065 40.708 40.800 -0.044 0.000 0.925 486 D HN 0.325 nan 8.370 nan 0.000 0.524 487 L N -0.020 120.984 121.223 -0.364 0.000 2.017 487 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 487 L C 2.485 179.162 176.870 -0.323 0.000 1.073 487 L CA 0.971 55.553 54.840 -0.430 0.000 0.745 487 L CB -0.387 41.250 42.059 -0.704 0.000 0.894 487 L HN 0.130 nan 8.230 nan 0.000 0.432 488 c N -0.319 118.067 118.600 -0.356 0.000 2.453 488 c HA -0.065 4.504 4.570 -0.001 0.000 0.277 488 c C 0.372 174.416 174.090 -0.078 0.000 1.262 488 c CA 0.557 56.770 56.329 -0.195 0.000 1.718 488 c CB -1.603 40.771 42.510 -0.227 0.000 2.031 488 c HN 0.351 nan 8.230 nan 0.000 0.480 489 P HA -0.101 nan 4.420 nan 0.000 0.216 489 P C 1.530 178.792 177.300 -0.065 0.000 1.153 489 P CA 2.000 65.060 63.100 -0.067 0.000 0.858 489 P CB -0.310 31.348 31.700 -0.070 0.000 0.789 490 T N -1.660 112.833 114.554 -0.101 0.000 2.708 490 T HA -0.209 4.140 4.350 -0.001 0.000 0.266 490 T C 1.662 176.305 174.700 -0.095 0.000 1.037 490 T CA 1.308 63.325 62.100 -0.139 0.000 1.146 490 T CB -1.139 67.554 68.868 -0.291 0.000 0.865 490 T HN 0.085 nan 8.240 nan 0.000 0.435 491 Y N 2.238 122.436 120.300 -0.170 0.000 2.145 491 Y HA -0.153 4.396 4.550 -0.001 0.000 0.286 491 Y C 1.999 177.873 175.900 -0.043 0.000 1.145 491 Y CA 1.457 59.495 58.100 -0.103 0.000 1.148 491 Y CB -0.355 38.041 38.460 -0.107 0.000 0.981 491 Y HN 0.130 nan 8.280 nan 0.000 0.507 492 D N -0.146 120.253 120.400 -0.000 0.000 2.264 492 D HA -0.075 4.565 4.640 -0.001 0.000 0.208 492 D C 1.969 178.205 176.300 -0.106 0.000 0.966 492 D CA 1.127 55.095 54.000 -0.053 0.000 0.864 492 D CB -0.303 40.513 40.800 0.027 0.000 0.933 492 D HN 0.482 nan 8.370 nan 0.000 0.499 493 A N 0.292 123.052 122.820 -0.100 0.000 2.169 493 A HA -0.030 4.289 4.320 -0.001 0.000 0.212 493 A C 1.001 178.523 177.584 -0.103 0.000 1.153 493 A CA -0.069 51.918 52.037 -0.083 0.000 0.756 493 A CB -0.082 18.886 19.000 -0.054 0.000 0.813 493 A HN 0.047 nan 8.150 nan 0.000 0.471 494 N N 1.148 119.747 118.700 -0.167 0.000 2.454 494 N HA 0.314 5.054 4.740 -0.001 0.000 0.254 494 N C 0.146 175.565 175.510 -0.152 0.000 1.228 494 N CA 0.685 53.635 53.050 -0.167 0.000 0.900 494 N CB 0.731 39.059 38.487 -0.264 0.000 1.089 494 N HN 0.338 nan 8.380 nan 0.000 0.449 495 A N 3.935 126.689 122.820 -0.109 0.000 2.520 495 A HA 0.157 4.476 4.320 -0.001 0.000 0.245 495 A C -0.894 176.605 177.584 -0.141 0.000 1.072 495 A CA -0.887 51.086 52.037 -0.107 0.000 0.761 495 A CB 0.092 19.041 19.000 -0.085 0.000 1.004 495 A HN 0.515 nan 8.150 nan 0.000 0.499 496 P HA -0.118 nan 4.420 nan 0.000 0.220 496 P C 1.140 178.299 177.300 -0.235 0.000 1.144 496 P CA 1.499 64.522 63.100 -0.129 0.000 0.800 496 P CB 0.132 31.785 31.700 -0.078 0.000 0.772 497 S N -0.569 114.940 115.700 -0.319 0.000 2.522 497 S HA -0.019 4.450 4.470 -0.001 0.000 0.227 497 S C 1.091 175.407 174.600 -0.473 0.000 0.986 497 S CA 0.679 58.517 58.200 -0.603 0.000 0.929 497 S CB -0.396 62.610 63.200 -0.324 0.000 0.769 497 S HN 0.176 nan 8.310 nan 0.000 0.529 498 D N 1.238 121.515 120.400 -0.205 0.000 2.363 498 D HA 0.161 4.801 4.640 -0.001 0.000 0.214 498 D C 0.686 177.017 176.300 0.051 0.000 1.093 498 D CA 0.114 54.087 54.000 -0.046 0.000 0.837 498 D CB 0.241 41.023 40.800 -0.031 0.000 0.948 498 D HN 0.465 nan 8.370 nan 0.000 0.507 499 Q N 0.000 119.849 119.800 0.082 0.000 2.315 499 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 499 Q CA 0.000 55.929 55.803 0.210 0.000 1.022 499 Q CB 0.000 28.854 28.738 0.193 0.000 1.108 499 Q HN 0.000 nan 8.270 nan 0.000 0.481