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 2afi_1_L DATA FIRST_RESID 2 DATA SEQUENCE SQQVDKIKAS YPLFLDQDYK DMLAKKRDGF EEKYPQDKID EVFQWTTTKE DATA SEQUENCE YQELNFQREA LTVNPAKACQ PLGAVLCALG FEKTMPYVHG SQGCVAYFRS DATA SEQUENCE YFNRHFREPV SCVSDSMTED AAVFGGQQNM KDGLQNCKAT YKPDMIAVST DATA SEQUENCE TCMAEVIGDD LNAFINNSKK EGFIPDEFPV PFAHTPSFVG SHVTGWDNMF DATA SEQUENCE EGIARYFTLK SMDDKVVGSN KKINIVPGFE TYLGNFRVIK RMLSEMGVGY DATA SEQUENCE SLLSDPEEVL DTPADGQFRM YAGGTTQEEM KDAPNALNTV LLQPWHLEKT DATA SEQUENCE KKFVEGTWKH EVPKLNIPMG LDWTDEFLMK VSEISGQPIP ASLTKERGRL DATA SEQUENCE VDMMTDSHTW LHGKRFALWG DPDFVMGLVK FLLELGCEPV HILCHNGNKR DATA SEQUENCE WKKAVDAILA ASPYGKNATV YIGKDLWHLR SLVFTDKPDF MIGNSYGKFI DATA SEQUENCE QRDTLHKGKE FEVPLIRIGF PIFDRHHLHR STTLGYEGAM QILTTLVNSI DATA SEQUENCE LERLDEETRG MQATDYNHDL VR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.615 174.600 0.024 0.000 1.055 2 S CA 0.000 58.215 58.200 0.024 0.000 1.107 2 S CB 0.000 63.201 63.200 0.002 0.000 0.593 3 Q N 1.474 121.279 119.800 0.007 0.000 2.304 3 Q HA 0.419 4.758 4.340 -0.000 0.000 0.270 3 Q C -1.278 174.715 176.000 -0.011 0.000 1.035 3 Q CA -0.616 55.182 55.803 -0.008 0.000 0.781 3 Q CB 2.500 31.230 28.738 -0.013 0.000 1.261 3 Q HN 0.625 nan 8.270 nan 0.000 0.444 4 Q N 0.979 120.769 119.800 -0.017 0.000 2.304 4 Q HA 0.093 4.433 4.340 -0.000 0.000 0.260 4 Q C 0.966 176.956 176.000 -0.016 0.000 0.965 4 Q CA 0.006 55.800 55.803 -0.015 0.000 0.898 4 Q CB 1.665 30.394 28.738 -0.016 0.000 1.196 4 Q HN 0.516 nan 8.270 nan 0.000 0.402 5 V N 3.843 123.750 119.914 -0.011 0.000 2.626 5 V HA -0.224 3.896 4.120 -0.000 0.000 0.252 5 V C 0.759 176.846 176.094 -0.012 0.000 1.067 5 V CA 2.052 64.345 62.300 -0.011 0.000 1.081 5 V CB -0.102 31.716 31.823 -0.007 0.000 0.686 5 V HN 0.854 nan 8.190 nan 0.000 0.468 6 D N -0.049 120.344 120.400 -0.011 0.000 2.117 6 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 6 D C 1.216 177.508 176.300 -0.015 0.000 0.982 6 D CA 1.000 54.994 54.000 -0.011 0.000 0.828 6 D CB 0.212 41.006 40.800 -0.010 0.000 0.967 6 D HN 0.369 nan 8.370 nan 0.000 0.464 7 K N 0.856 121.244 120.400 -0.020 0.000 2.575 7 K HA 0.329 4.649 4.320 -0.000 0.000 0.236 7 K C -0.779 175.800 176.600 -0.036 0.000 0.976 7 K CA -0.313 55.959 56.287 -0.026 0.000 0.985 7 K CB 0.996 33.480 32.500 -0.027 0.000 1.198 7 K HN -0.124 nan 8.250 nan 0.000 0.464 8 I N 3.232 123.780 120.570 -0.036 0.000 2.638 8 I HA 0.133 4.303 4.170 -0.000 0.000 0.286 8 I C 0.171 176.246 176.117 -0.069 0.000 1.088 8 I CA -0.226 61.046 61.300 -0.046 0.000 1.397 8 I CB 1.006 38.984 38.000 -0.037 0.000 1.414 8 I HN 0.363 nan 8.210 nan 0.000 0.566 9 K N 4.637 124.978 120.400 -0.097 0.000 2.244 9 K HA 0.656 4.976 4.320 -0.000 0.000 0.260 9 K C -0.424 176.074 176.600 -0.170 0.000 0.951 9 K CA -0.600 55.599 56.287 -0.146 0.000 0.826 9 K CB 2.038 34.426 32.500 -0.186 0.000 1.108 9 K HN 0.693 nan 8.250 nan 0.000 0.433 10 A N 1.533 124.261 122.820 -0.154 0.000 2.250 10 A HA 0.195 4.515 4.320 -0.000 0.000 0.283 10 A C 1.248 178.704 177.584 -0.213 0.000 1.206 10 A CA -0.191 51.770 52.037 -0.127 0.000 0.840 10 A CB 0.211 19.185 19.000 -0.043 0.000 1.220 10 A HN 0.753 nan 8.150 nan 0.000 0.505 11 S N -1.555 114.067 115.700 -0.130 0.000 2.389 11 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 11 S C 0.397 174.937 174.600 -0.101 0.000 1.052 11 S CA 2.188 60.314 58.200 -0.124 0.000 1.053 11 S CB -0.432 62.888 63.200 0.200 0.000 0.886 11 S HN 0.629 nan 8.310 nan 0.000 0.456 12 Y N 3.131 123.395 120.300 -0.060 0.000 2.335 12 Y HA 0.455 5.005 4.550 -0.000 0.000 0.338 12 Y C -2.574 173.290 175.900 -0.060 0.000 0.977 12 Y CA -2.497 55.585 58.100 -0.031 0.000 1.114 12 Y CB 1.696 40.166 38.460 0.018 0.000 1.182 12 Y HN -0.082 nan 8.280 nan 0.000 0.463 13 P HA 0.056 nan 4.420 nan 0.000 0.248 13 P C 0.554 177.609 177.300 -0.409 0.000 1.708 13 P CA 0.060 62.661 63.100 -0.831 0.000 1.062 13 P CB 0.488 31.691 31.700 -0.828 0.000 1.562 14 L N -0.030 120.927 121.223 -0.442 0.000 2.056 14 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 14 L C 1.716 178.256 176.870 -0.550 0.000 1.078 14 L CA 1.958 56.493 54.840 -0.508 0.000 0.749 14 L CB -1.184 40.432 42.059 -0.738 0.000 0.901 14 L HN -0.165 nan 8.230 nan 0.000 0.433 15 F N -0.999 118.789 119.950 -0.270 0.000 2.722 15 F HA -0.034 4.493 4.527 -0.000 0.000 0.298 15 F C 1.831 177.609 175.800 -0.038 0.000 1.175 15 F CA 0.291 58.132 58.000 -0.265 0.000 1.462 15 F CB -0.673 38.200 39.000 -0.212 0.000 1.111 15 F HN 0.087 nan 8.300 nan 0.000 0.592 16 L N -0.768 120.490 121.223 0.059 0.000 2.558 16 L HA 0.046 4.386 4.340 -0.000 0.000 0.225 16 L C 0.621 177.541 176.870 0.082 0.000 1.128 16 L CA 0.490 55.376 54.840 0.076 0.000 0.868 16 L CB -0.771 41.295 42.059 0.012 0.000 1.006 16 L HN -0.157 nan 8.230 nan 0.000 0.454 17 D N -1.015 119.450 120.400 0.109 0.000 2.399 17 D HA -0.050 4.589 4.640 -0.000 0.000 0.241 17 D C 1.046 177.440 176.300 0.156 0.000 1.133 17 D CA 0.076 54.156 54.000 0.132 0.000 0.890 17 D CB 1.236 42.155 40.800 0.199 0.000 1.201 17 D HN -0.037 nan 8.370 nan 0.000 0.432 18 Q N 1.642 121.498 119.800 0.093 0.000 2.084 18 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 18 Q C 1.034 177.071 176.000 0.062 0.000 0.978 18 Q CA 2.107 57.952 55.803 0.071 0.000 0.844 18 Q CB -0.158 28.604 28.738 0.040 0.000 0.898 18 Q HN 0.600 nan 8.270 nan 0.000 0.426 19 D N -1.441 118.974 120.400 0.024 0.000 2.117 19 D HA -0.214 4.426 4.640 -0.000 0.000 0.197 19 D C 1.389 177.663 176.300 -0.044 0.000 0.987 19 D CA 1.455 55.419 54.000 -0.059 0.000 0.829 19 D CB -0.808 39.889 40.800 -0.173 0.000 0.961 19 D HN 0.335 nan 8.370 nan 0.000 0.460 20 Y N 0.882 121.230 120.300 0.079 0.000 2.200 20 Y HA 0.009 4.559 4.550 -0.000 0.000 0.290 20 Y C 2.356 178.314 175.900 0.097 0.000 1.137 20 Y CA 0.956 59.130 58.100 0.124 0.000 1.163 20 Y CB -0.195 38.399 38.460 0.224 0.000 0.988 20 Y HN -0.104 nan 8.280 nan 0.000 0.518 21 K N -0.101 120.442 120.400 0.238 0.000 2.057 21 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 21 K C 1.598 178.258 176.600 0.102 0.000 1.049 21 K CA 1.674 58.051 56.287 0.150 0.000 0.931 21 K CB -0.198 32.371 32.500 0.115 0.000 0.714 21 K HN 0.253 nan 8.250 nan 0.000 0.440 22 D N 0.578 121.025 120.400 0.079 0.000 2.117 22 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 22 D C 1.757 178.088 176.300 0.052 0.000 0.987 22 D CA 0.975 55.004 54.000 0.049 0.000 0.829 22 D CB -0.051 40.766 40.800 0.028 0.000 0.961 22 D HN 0.190 nan 8.370 nan 0.000 0.460 23 M N 0.129 119.767 119.600 0.064 0.000 2.117 23 M HA -0.145 4.335 4.480 -0.000 0.000 0.262 23 M C 1.986 178.337 176.300 0.084 0.000 1.065 23 M CA 1.179 56.520 55.300 0.069 0.000 1.114 23 M CB -0.014 32.631 32.600 0.074 0.000 1.361 23 M HN -0.029 nan 8.290 nan 0.000 0.408 24 L N 0.189 121.470 121.223 0.096 0.000 2.046 24 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 24 L C 2.799 179.703 176.870 0.055 0.000 1.077 24 L CA 1.262 56.145 54.840 0.071 0.000 0.747 24 L CB -0.984 41.114 42.059 0.065 0.000 0.896 24 L HN 0.391 nan 8.230 nan 0.000 0.432 25 A N 0.059 122.910 122.820 0.051 0.000 1.902 25 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 25 A C 2.336 179.932 177.584 0.021 0.000 1.181 25 A CA 1.752 53.808 52.037 0.032 0.000 0.623 25 A CB -0.374 18.643 19.000 0.029 0.000 0.818 25 A HN 0.315 nan 8.150 nan 0.000 0.443 26 K N -0.398 120.021 120.400 0.032 0.000 2.057 26 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 26 K C 2.241 178.865 176.600 0.040 0.000 1.049 26 K CA 1.705 58.006 56.287 0.024 0.000 0.931 26 K CB -0.167 32.363 32.500 0.050 0.000 0.714 26 K HN 0.552 nan 8.250 nan 0.000 0.440 27 K N 1.473 121.932 120.400 0.099 0.000 2.057 27 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 27 K C 2.287 178.948 176.600 0.103 0.000 1.049 27 K CA 1.310 57.702 56.287 0.175 0.000 0.931 27 K CB -0.034 32.549 32.500 0.138 0.000 0.714 27 K HN 0.004 nan 8.250 nan 0.000 0.440 28 R N 0.359 120.885 120.500 0.044 0.000 2.066 28 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 28 R C 1.242 177.521 176.300 -0.034 0.000 1.131 28 R CA 2.086 58.196 56.100 0.016 0.000 0.955 28 R CB -0.243 30.065 30.300 0.013 0.000 0.851 28 R HN 0.226 nan 8.270 nan 0.000 0.432 29 D N -0.265 120.099 120.400 -0.061 0.000 2.117 29 D HA -0.069 4.571 4.640 -0.000 0.000 0.198 29 D C 1.789 177.951 176.300 -0.230 0.000 0.982 29 D CA 1.594 55.528 54.000 -0.111 0.000 0.828 29 D CB -0.573 40.176 40.800 -0.086 0.000 0.967 29 D HN 0.505 nan 8.370 nan 0.000 0.464 30 G N -0.695 107.890 108.800 -0.359 0.000 2.402 30 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 30 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 30 G C 0.904 175.023 174.900 -1.302 0.000 1.162 30 G CA 0.483 45.043 45.100 -0.900 0.000 0.777 30 G HN 0.286 nan 8.290 nan 0.000 0.539 31 F N -0.502 119.439 119.950 -0.015 0.000 2.871 31 F HA 0.358 4.885 4.527 -0.000 0.000 0.344 31 F C 2.023 177.809 175.800 -0.022 0.000 1.078 31 F CA -0.419 57.569 58.000 -0.019 0.000 1.149 31 F CB 0.468 39.459 39.000 -0.016 0.000 1.087 31 F HN 0.056 nan 8.300 nan 0.000 0.557 32 E N 1.069 121.315 120.200 0.077 0.000 2.216 32 E HA -0.095 4.254 4.350 -0.000 0.000 0.192 32 E C 0.142 176.739 176.600 -0.004 0.000 0.988 32 E CA 0.723 57.149 56.400 0.043 0.000 0.834 32 E CB -0.177 29.545 29.700 0.036 0.000 0.772 32 E HN 0.369 nan 8.360 nan 0.000 0.479 33 E N 1.071 121.245 120.200 -0.043 0.000 2.360 33 E HA -0.232 4.118 4.350 -0.000 0.000 0.238 33 E C -0.092 176.444 176.600 -0.107 0.000 1.186 33 E CA 0.350 56.699 56.400 -0.085 0.000 0.719 33 E CB -1.299 28.350 29.700 -0.086 0.000 1.236 33 E HN 0.180 nan 8.360 nan 0.000 0.386 34 K N 0.630 120.996 120.400 -0.057 0.000 2.355 34 K HA 0.137 4.457 4.320 -0.000 0.000 0.270 34 K C -0.169 176.417 176.600 -0.022 0.000 1.003 34 K CA -0.144 56.139 56.287 -0.007 0.000 0.957 34 K CB 0.419 32.937 32.500 0.029 0.000 0.939 34 K HN -0.008 nan 8.250 nan 0.000 0.482 35 Y N 3.023 123.321 120.300 -0.003 0.000 2.379 35 Y HA 0.095 4.644 4.550 -0.000 0.000 0.337 35 Y C -1.646 174.254 175.900 0.000 0.000 1.238 35 Y CA -1.419 56.680 58.100 -0.002 0.000 1.405 35 Y CB 0.216 38.678 38.460 0.004 0.000 1.310 35 Y HN 0.607 nan 8.280 nan 0.000 0.569 36 P HA -0.048 nan 4.420 nan 0.000 0.270 36 P C 0.023 177.381 177.300 0.096 0.000 1.223 36 P CA -0.060 63.096 63.100 0.095 0.000 0.785 36 P CB 0.713 32.458 31.700 0.076 0.000 0.923 37 Q N 1.294 121.133 119.800 0.065 0.000 2.224 37 Q HA -0.169 4.171 4.340 -0.000 0.000 0.203 37 Q C 0.919 176.955 176.000 0.060 0.000 0.970 37 Q CA 1.938 57.777 55.803 0.060 0.000 0.865 37 Q CB -0.735 28.032 28.738 0.047 0.000 0.922 37 Q HN 0.379 nan 8.270 nan 0.000 0.445 38 D N -0.552 119.879 120.400 0.053 0.000 2.117 38 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 38 D C 1.534 177.861 176.300 0.046 0.000 0.982 38 D CA 1.196 55.223 54.000 0.045 0.000 0.828 38 D CB -0.052 40.768 40.800 0.034 0.000 0.967 38 D HN 0.109 nan 8.370 nan 0.000 0.464 39 K N 0.438 120.869 120.400 0.053 0.000 2.057 39 K HA 0.010 4.330 4.320 -0.000 0.000 0.206 39 K C 1.899 178.511 176.600 0.020 0.000 1.050 39 K CA 0.754 57.062 56.287 0.034 0.000 0.935 39 K CB -0.270 32.273 32.500 0.072 0.000 0.715 39 K HN 0.125 nan 8.250 nan 0.000 0.439 40 I N 0.874 121.472 120.570 0.047 0.000 2.226 40 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 40 I C 1.520 177.703 176.117 0.110 0.000 1.100 40 I CA 1.379 62.712 61.300 0.056 0.000 1.374 40 I CB -0.353 37.685 38.000 0.063 0.000 1.057 40 I HN 0.244 nan 8.210 nan 0.000 0.413 41 D N 0.533 120.997 120.400 0.108 0.000 2.117 41 D HA -0.225 4.414 4.640 -0.000 0.000 0.197 41 D C 2.009 178.388 176.300 0.132 0.000 0.987 41 D CA 1.192 55.277 54.000 0.142 0.000 0.829 41 D CB -0.235 40.620 40.800 0.092 0.000 0.961 41 D HN 0.398 nan 8.370 nan 0.000 0.460 42 E N 0.466 120.710 120.200 0.072 0.000 2.077 42 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 42 E C 2.096 178.734 176.600 0.063 0.000 0.989 42 E CA 0.812 57.236 56.400 0.039 0.000 0.800 42 E CB 0.221 29.920 29.700 -0.003 0.000 0.746 42 E HN 0.022 nan 8.360 nan 0.000 0.452 43 V N 0.865 120.824 119.914 0.075 0.000 2.427 43 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 43 V C 2.066 178.268 176.094 0.180 0.000 1.051 43 V CA 1.689 64.076 62.300 0.144 0.000 1.048 43 V CB -0.630 31.243 31.823 0.083 0.000 0.666 43 V HN 0.336 nan 8.190 nan 0.000 0.456 44 F N 0.697 120.659 119.950 0.020 0.000 2.146 44 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 44 F C 2.502 178.207 175.800 -0.159 0.000 1.096 44 F CA 1.733 59.704 58.000 -0.049 0.000 1.275 44 F CB -0.296 38.728 39.000 0.040 0.000 1.008 44 F HN 0.029 nan 8.300 nan 0.000 0.480 45 Q N -0.605 119.061 119.800 -0.224 0.000 2.167 45 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 45 Q C 2.000 177.799 176.000 -0.335 0.000 0.970 45 Q CA 1.669 57.256 55.803 -0.360 0.000 0.855 45 Q CB -0.884 27.784 28.738 -0.117 0.000 0.911 45 Q HN 0.699 nan 8.270 nan 0.000 0.438 46 W N 1.434 122.519 121.300 -0.359 0.000 2.358 46 W HA -0.187 4.473 4.660 -0.000 0.000 0.303 46 W C 2.155 178.397 176.519 -0.462 0.000 1.208 46 W CA 2.798 59.971 57.345 -0.287 0.000 1.274 46 W CB -0.703 28.662 29.460 -0.158 0.000 1.138 46 W HN 0.200 nan 8.180 nan 0.000 0.515 47 T N -2.489 111.501 114.554 -0.939 0.000 2.962 47 T HA -0.185 4.165 4.350 -0.000 0.000 0.270 47 T C 1.661 175.616 174.700 -1.242 0.000 1.088 47 T CA 1.935 63.034 62.100 -1.668 0.000 1.127 47 T CB -1.255 66.729 68.868 -1.474 0.000 0.883 47 T HN 0.284 nan 8.240 nan 0.000 0.493 48 T N 0.634 114.477 114.554 -1.185 0.000 3.085 48 T HA 0.049 4.399 4.350 -0.000 0.000 0.263 48 T C 1.172 175.538 174.700 -0.557 0.000 1.127 48 T CA 0.604 61.987 62.100 -1.195 0.000 1.103 48 T CB -0.988 67.144 68.868 -1.226 0.000 0.921 48 T HN 0.704 nan 8.240 nan 0.000 0.510 49 T N -0.961 113.325 114.554 -0.447 0.000 2.849 49 T HA 0.332 4.682 4.350 -0.000 0.000 0.284 49 T C 1.054 175.679 174.700 -0.124 0.000 1.004 49 T CA -0.767 61.203 62.100 -0.217 0.000 1.021 49 T CB 1.655 70.448 68.868 -0.125 0.000 1.013 49 T HN 0.183 nan 8.240 nan 0.000 0.527 50 K N 0.236 120.605 120.400 -0.052 0.000 2.097 50 K HA -0.129 4.190 4.320 -0.000 0.000 0.205 50 K C 1.954 178.556 176.600 0.004 0.000 1.050 50 K CA 1.482 57.762 56.287 -0.012 0.000 0.938 50 K CB -0.162 32.338 32.500 0.000 0.000 0.718 50 K HN 0.709 nan 8.250 nan 0.000 0.442 51 E N -0.195 120.017 120.200 0.020 0.000 2.085 51 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 51 E C 1.707 178.320 176.600 0.022 0.000 0.994 51 E CA 1.480 57.916 56.400 0.060 0.000 0.801 51 E CB -0.444 29.343 29.700 0.145 0.000 0.743 51 E HN 0.409 nan 8.360 nan 0.000 0.453 52 Y N 1.267 121.417 120.300 -0.251 0.000 2.242 52 Y HA -0.249 4.300 4.550 -0.000 0.000 0.291 52 Y C 2.487 178.239 175.900 -0.246 0.000 1.137 52 Y CA 1.970 59.785 58.100 -0.476 0.000 1.181 52 Y CB -0.011 37.867 38.460 -0.970 0.000 0.989 52 Y HN 0.070 nan 8.280 nan 0.000 0.527 53 Q N 0.284 120.087 119.800 0.005 0.000 2.135 53 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 53 Q C 2.026 178.106 176.000 0.133 0.000 0.981 53 Q CA 2.100 57.962 55.803 0.099 0.000 0.856 53 Q CB -0.178 28.634 28.738 0.124 0.000 0.902 53 Q HN 0.607 nan 8.270 nan 0.000 0.425 54 E N 0.059 120.291 120.200 0.053 0.000 2.077 54 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 54 E C 2.091 178.715 176.600 0.041 0.000 0.989 54 E CA 1.339 57.777 56.400 0.064 0.000 0.800 54 E CB -0.059 29.660 29.700 0.032 0.000 0.746 54 E HN 0.455 nan 8.360 nan 0.000 0.452 55 L N 0.893 122.080 121.223 -0.060 0.000 2.093 55 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 55 L C 2.417 179.206 176.870 -0.135 0.000 1.085 55 L CA 0.916 55.696 54.840 -0.100 0.000 0.755 55 L CB -0.690 41.268 42.059 -0.169 0.000 0.904 55 L HN 0.151 nan 8.230 nan 0.000 0.435 56 N N 0.849 119.404 118.700 -0.242 0.000 2.142 56 N HA -0.193 4.547 4.740 -0.000 0.000 0.186 56 N C 1.673 177.205 175.510 0.036 0.000 1.023 56 N CA 1.579 54.517 53.050 -0.187 0.000 0.852 56 N CB -0.270 38.066 38.487 -0.251 0.000 0.998 56 N HN 0.173 nan 8.380 nan 0.000 0.424 57 F N 0.776 120.768 119.950 0.069 0.000 2.661 57 F HA 0.128 4.654 4.527 -0.000 0.000 0.298 57 F C 2.190 178.025 175.800 0.059 0.000 1.137 57 F CA 0.445 58.502 58.000 0.094 0.000 1.454 57 F CB 0.094 39.100 39.000 0.009 0.000 1.103 57 F HN 0.154 nan 8.300 nan 0.000 0.577 58 Q N -0.176 119.729 119.800 0.175 0.000 2.435 58 Q HA -0.012 4.328 4.340 -0.000 0.000 0.207 58 Q C 0.442 176.493 176.000 0.084 0.000 0.956 58 Q CA 0.183 56.049 55.803 0.105 0.000 0.917 58 Q CB 0.067 28.841 28.738 0.060 0.000 0.997 58 Q HN 0.257 nan 8.270 nan 0.000 0.497 59 R N 0.739 121.294 120.500 0.092 0.000 2.538 59 R HA -0.051 4.289 4.340 -0.000 0.000 0.282 59 R C 0.394 176.740 176.300 0.077 0.000 1.009 59 R CA 0.512 56.651 56.100 0.065 0.000 1.063 59 R CB 0.350 30.680 30.300 0.051 0.000 0.945 59 R HN 0.252 nan 8.270 nan 0.000 0.414 60 E N 1.203 121.433 120.200 0.049 0.000 2.485 60 E HA 0.078 4.428 4.350 -0.000 0.000 0.213 60 E C 0.844 177.468 176.600 0.039 0.000 0.923 60 E CA 0.364 56.794 56.400 0.050 0.000 1.054 60 E CB 0.942 30.666 29.700 0.040 0.000 1.077 60 E HN 0.691 nan 8.360 nan 0.000 0.509 61 A N 0.353 123.187 122.820 0.022 0.000 2.312 61 A HA 0.274 4.594 4.320 -0.000 0.000 0.215 61 A C 0.356 177.938 177.584 -0.003 0.000 1.256 61 A CA -0.264 51.780 52.037 0.011 0.000 0.966 61 A CB 0.446 19.447 19.000 0.002 0.000 1.053 61 A HN 0.150 nan 8.150 nan 0.000 0.510 62 L N 1.297 122.509 121.223 -0.019 0.000 2.296 62 L HA 0.635 4.975 4.340 -0.000 0.000 0.286 62 L C -0.952 175.878 176.870 -0.067 0.000 1.023 62 L CA 0.206 55.014 54.840 -0.053 0.000 0.812 62 L CB 1.799 43.809 42.059 -0.083 0.000 1.223 62 L HN 0.031 nan 8.230 nan 0.000 0.421 63 T N 4.516 119.032 114.554 -0.064 0.000 2.794 63 T HA 0.591 4.941 4.350 -0.000 0.000 0.280 63 T C -0.598 174.022 174.700 -0.135 0.000 0.987 63 T CA -0.408 61.653 62.100 -0.065 0.000 0.993 63 T CB 1.503 70.384 68.868 0.023 0.000 0.939 63 T HN 0.371 nan 8.240 nan 0.000 0.449 64 V N 4.668 124.468 119.914 -0.189 0.000 2.409 64 V HA 0.371 4.491 4.120 -0.000 0.000 0.291 64 V C -0.159 175.849 176.094 -0.143 0.000 1.020 64 V CA -1.081 61.080 62.300 -0.233 0.000 0.848 64 V CB 1.206 32.767 31.823 -0.436 0.000 0.990 64 V HN 0.991 nan 8.190 nan 0.000 0.430 65 N N 3.083 121.698 118.700 -0.142 0.000 2.671 65 N HA -0.114 4.626 4.740 -0.000 0.000 0.261 65 N C -2.218 173.204 175.510 -0.147 0.000 1.053 65 N CA 0.441 53.411 53.050 -0.132 0.000 0.732 65 N CB -0.966 37.494 38.487 -0.043 0.000 0.887 65 N HN 0.516 nan 8.380 nan 0.000 0.546 66 P HA 0.120 nan 4.420 nan 0.000 0.270 66 P C 0.098 177.437 177.300 0.064 0.000 1.223 66 P CA -0.077 63.073 63.100 0.084 0.000 0.785 66 P CB 0.783 32.602 31.700 0.198 0.000 0.923 67 A N 2.023 125.036 122.820 0.322 0.000 2.500 67 A HA 0.169 4.489 4.320 -0.000 0.000 0.267 67 A C 0.683 178.451 177.584 0.306 0.000 1.290 67 A CA 0.019 52.229 52.037 0.289 0.000 0.928 67 A CB -0.401 18.778 19.000 0.299 0.000 1.066 67 A HN 0.611 nan 8.150 nan 0.000 0.516 68 K N -1.337 119.190 120.400 0.212 0.000 2.443 68 K HA 0.875 5.195 4.320 -0.000 0.000 0.251 68 K C -0.600 176.043 176.600 0.072 0.000 0.972 68 K CA -0.517 55.849 56.287 0.133 0.000 0.833 68 K CB 1.992 34.430 32.500 -0.103 0.000 1.317 68 K HN 0.118 nan 8.250 nan 0.000 0.441 69 A N 0.620 123.536 122.820 0.161 0.000 2.437 69 A HA 0.661 4.981 4.320 -0.000 0.000 0.292 69 A C -0.087 177.571 177.584 0.123 0.000 1.173 69 A CA -0.760 51.298 52.037 0.035 0.000 0.785 69 A CB 0.584 19.499 19.000 -0.142 0.000 1.351 69 A HN 1.066 nan 8.150 nan 0.000 0.431 70 C N -1.143 118.187 119.300 0.050 0.000 2.553 70 C HA 0.397 4.857 4.460 -0.000 0.000 0.345 70 C C 1.506 176.530 174.990 0.057 0.000 1.369 70 C CA -0.190 58.861 59.018 0.056 0.000 2.447 70 C CB -0.354 27.428 27.740 0.070 0.000 2.358 70 C HN 0.922 nan 8.230 nan 0.000 0.676 71 Q N 0.730 120.536 119.800 0.009 0.000 2.084 71 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 71 Q C -0.376 175.615 176.000 -0.016 0.000 0.978 71 Q CA 1.994 57.797 55.803 -0.001 0.000 0.844 71 Q CB -1.222 27.496 28.738 -0.034 0.000 0.898 71 Q HN 0.689 nan 8.270 nan 0.000 0.426 72 P HA -0.159 nan 4.420 nan 0.000 0.221 72 P C 1.139 178.150 177.300 -0.481 0.000 1.145 72 P CA 0.860 63.803 63.100 -0.262 0.000 0.795 72 P CB 0.032 31.584 31.700 -0.247 0.000 0.775 73 L N -0.410 120.564 121.223 -0.414 0.000 2.056 73 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 73 L C 2.300 179.416 176.870 0.410 0.000 1.078 73 L CA 2.175 56.947 54.840 -0.115 0.000 0.749 73 L CB -1.514 40.580 42.059 0.059 0.000 0.901 73 L HN -0.047 nan 8.230 nan 0.000 0.433 74 G N -1.235 107.810 108.800 0.407 0.000 2.418 74 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 74 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 74 G C 1.587 176.743 174.900 0.426 0.000 1.158 74 G CA 0.747 46.231 45.100 0.639 0.000 0.771 74 G HN 0.589 nan 8.290 nan 0.000 0.545 75 A N 0.090 123.008 122.820 0.163 0.000 1.898 75 A HA 0.121 4.441 4.320 -0.000 0.000 0.216 75 A C 2.599 180.205 177.584 0.035 0.000 1.181 75 A CA 1.735 53.788 52.037 0.026 0.000 0.620 75 A CB -0.612 18.381 19.000 -0.012 0.000 0.819 75 A HN 0.241 nan 8.150 nan 0.000 0.442 76 V N -0.240 119.722 119.914 0.079 0.000 2.343 76 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 76 V C 2.496 178.669 176.094 0.132 0.000 1.051 76 V CA 1.942 64.315 62.300 0.122 0.000 1.036 76 V CB -0.779 31.148 31.823 0.173 0.000 0.654 76 V HN 0.578 nan 8.190 nan 0.000 0.451 77 L N -0.028 121.313 121.223 0.197 0.000 2.046 77 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 77 L C 2.456 179.395 176.870 0.116 0.000 1.077 77 L CA 2.349 57.217 54.840 0.048 0.000 0.747 77 L CB -0.890 41.187 42.059 0.028 0.000 0.896 77 L HN 0.488 nan 8.230 nan 0.000 0.432 78 C N -0.653 118.677 119.300 0.050 0.000 2.446 78 C HA -0.030 4.430 4.460 -0.000 0.000 0.277 78 C C 2.981 178.015 174.990 0.073 0.000 1.275 78 C CA 0.746 59.651 59.018 -0.189 0.000 1.727 78 C CB -1.361 25.718 27.740 -1.101 0.000 2.010 78 C HN 0.663 nan 8.230 nan 0.000 0.486 79 A N -0.131 122.723 122.820 0.056 0.000 2.019 79 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 79 A C 1.960 179.657 177.584 0.189 0.000 1.164 79 A CA 1.451 53.568 52.037 0.132 0.000 0.644 79 A CB -0.620 18.415 19.000 0.059 0.000 0.805 79 A HN 0.561 nan 8.150 nan 0.000 0.449 80 L N -0.165 121.116 121.223 0.097 0.000 2.201 80 L HA -0.006 4.334 4.340 -0.000 0.000 0.212 80 L C 2.512 179.372 176.870 -0.017 0.000 1.105 80 L CA 1.549 56.410 54.840 0.036 0.000 0.775 80 L CB -0.872 41.154 42.059 -0.056 0.000 0.913 80 L HN 0.374 nan 8.230 nan 0.000 0.440 81 G N -1.295 107.481 108.800 -0.040 0.000 2.448 81 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 81 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 81 G C 0.477 175.109 174.900 -0.447 0.000 1.127 81 G CA 0.044 44.986 45.100 -0.263 0.000 0.766 81 G HN 0.228 nan 8.290 nan 0.000 0.552 82 F N 0.614 120.536 119.950 -0.046 0.000 2.399 82 F HA 0.323 4.850 4.527 -0.000 0.000 0.342 82 F C 0.791 176.534 175.800 -0.096 0.000 1.106 82 F CA -1.272 56.684 58.000 -0.075 0.000 1.196 82 F CB 0.905 39.850 39.000 -0.092 0.000 1.163 82 F HN 0.008 nan 8.300 nan 0.000 0.547 83 E N 3.678 123.890 120.200 0.020 0.000 2.415 83 E HA -0.051 4.299 4.350 -0.000 0.000 0.263 83 E C 0.076 176.599 176.600 -0.127 0.000 0.995 83 E CA -0.225 56.144 56.400 -0.052 0.000 0.915 83 E CB 0.300 29.962 29.700 -0.064 0.000 0.951 83 E HN 0.479 nan 8.360 nan 0.000 0.449 84 K N 2.257 122.514 120.400 -0.238 0.000 3.035 84 K HA -0.147 4.173 4.320 -0.000 0.000 0.262 84 K C -0.914 175.309 176.600 -0.629 0.000 1.024 84 K CA 1.161 57.053 56.287 -0.658 0.000 0.748 84 K CB -2.035 30.210 32.500 -0.425 0.000 1.247 84 K HN 0.587 nan 8.250 nan 0.000 0.482 85 T N 1.016 115.390 114.554 -0.300 0.000 2.794 85 T HA 0.491 4.841 4.350 -0.000 0.000 0.280 85 T C 0.141 174.894 174.700 0.089 0.000 0.987 85 T CA -0.676 61.369 62.100 -0.092 0.000 0.993 85 T CB 1.411 70.299 68.868 0.035 0.000 0.939 85 T HN 0.201 nan 8.240 nan 0.000 0.449 86 M N 5.250 124.948 119.600 0.163 0.000 2.129 86 M HA 0.473 4.953 4.480 -0.000 0.000 0.348 86 M C -2.802 173.626 176.300 0.214 0.000 1.116 86 M CA -2.264 53.203 55.300 0.279 0.000 1.022 86 M CB 1.123 33.929 32.600 0.344 0.000 1.599 86 M HN 0.138 nan 8.290 nan 0.000 0.449 87 P HA 0.157 nan 4.420 nan 0.000 0.275 87 P C -2.088 175.358 177.300 0.244 0.000 1.227 87 P CA 0.161 63.369 63.100 0.179 0.000 0.781 87 P CB 0.292 32.085 31.700 0.154 0.000 0.906 88 Y N 3.408 123.769 120.300 0.101 0.000 2.346 88 Y HA 0.486 5.036 4.550 -0.000 0.000 0.332 88 Y C -1.380 174.595 175.900 0.125 0.000 0.985 88 Y CA -0.920 57.251 58.100 0.120 0.000 1.112 88 Y CB 1.342 39.876 38.460 0.123 0.000 1.170 88 Y HN 0.050 nan 8.280 nan 0.000 0.447 89 V N 6.090 126.089 119.914 0.141 0.000 2.384 89 V HA 0.230 4.350 4.120 -0.000 0.000 0.287 89 V C -0.641 175.554 176.094 0.168 0.000 1.020 89 V CA -0.852 61.578 62.300 0.217 0.000 0.850 89 V CB 1.044 32.999 31.823 0.221 0.000 0.987 89 V HN 0.822 nan 8.190 nan 0.000 0.436 90 H N 3.252 122.466 119.070 0.240 0.000 2.742 90 H HA 0.667 5.223 4.556 -0.000 0.000 0.302 90 H C 0.424 175.841 175.328 0.148 0.000 1.069 90 H CA 1.497 57.686 56.048 0.235 0.000 1.446 90 H CB 0.716 30.614 29.762 0.227 0.000 1.462 90 H HN 1.075 nan 8.280 nan 0.000 0.499 91 G N 2.261 110.946 108.800 -0.191 0.000 2.278 91 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.265 91 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.265 91 G C -1.100 173.767 174.900 -0.054 0.000 1.329 91 G CA -0.480 44.590 45.100 -0.051 0.000 1.017 91 G HN 0.723 nan 8.290 nan 0.000 0.472 92 S N 0.205 115.905 115.700 -0.000 0.000 2.580 92 S HA 0.372 4.842 4.470 -0.000 0.000 0.274 92 S C 1.534 176.117 174.600 -0.028 0.000 1.329 92 S CA 0.459 58.650 58.200 -0.015 0.000 1.036 92 S CB 1.550 64.752 63.200 0.003 0.000 0.919 92 S HN 1.004 nan 8.310 nan 0.000 0.515 93 Q N 2.076 121.846 119.800 -0.051 0.000 2.224 93 Q HA -0.015 4.325 4.340 -0.000 0.000 0.203 93 Q C 1.877 177.810 176.000 -0.111 0.000 0.970 93 Q CA 1.311 57.071 55.803 -0.073 0.000 0.865 93 Q CB -0.824 27.872 28.738 -0.070 0.000 0.922 93 Q HN 0.828 nan 8.270 nan 0.000 0.445 94 G N 0.862 109.596 108.800 -0.110 0.000 2.462 94 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 94 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 94 G C 1.319 176.100 174.900 -0.198 0.000 1.121 94 G CA 0.908 45.908 45.100 -0.168 0.000 0.758 94 G HN 0.494 nan 8.290 nan 0.000 0.559 95 C N -0.148 119.035 119.300 -0.196 0.000 2.446 95 C HA 0.022 4.482 4.460 -0.000 0.000 0.277 95 C C 2.994 177.386 174.990 -0.997 0.000 1.275 95 C CA 0.548 59.271 59.018 -0.492 0.000 1.727 95 C CB -0.917 26.685 27.740 -0.230 0.000 2.010 95 C HN 0.294 nan 8.230 nan 0.000 0.486 96 V N 1.674 121.355 119.914 -0.389 0.000 2.343 96 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 96 V C 2.765 178.787 176.094 -0.119 0.000 1.051 96 V CA 2.189 64.431 62.300 -0.096 0.000 1.036 96 V CB -1.318 30.528 31.823 0.038 0.000 0.654 96 V HN 0.593 nan 8.190 nan 0.000 0.451 97 A N -0.962 121.740 122.820 -0.196 0.000 1.902 97 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 97 A C 2.093 179.578 177.584 -0.165 0.000 1.181 97 A CA 1.939 53.862 52.037 -0.191 0.000 0.623 97 A CB -0.740 18.079 19.000 -0.303 0.000 0.818 97 A HN 0.542 nan 8.150 nan 0.000 0.443 98 Y N -1.001 119.155 120.300 -0.240 0.000 2.200 98 Y HA -0.123 4.427 4.550 -0.000 0.000 0.290 98 Y C 2.167 178.021 175.900 -0.076 0.000 1.137 98 Y CA 1.183 59.162 58.100 -0.202 0.000 1.163 98 Y CB -0.778 37.494 38.460 -0.313 0.000 0.988 98 Y HN 0.348 nan 8.280 nan 0.000 0.518 99 F N -0.223 119.842 119.950 0.191 0.000 2.134 99 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 99 F C 2.299 178.243 175.800 0.239 0.000 1.097 99 F CA 1.091 59.182 58.000 0.151 0.000 1.264 99 F CB -1.166 37.952 39.000 0.196 0.000 1.001 99 F HN -0.086 nan 8.300 nan 0.000 0.479 100 R N 0.031 120.758 120.500 0.379 0.000 2.081 100 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 100 R C 2.340 178.813 176.300 0.288 0.000 1.131 100 R CA 1.632 57.933 56.100 0.336 0.000 0.960 100 R CB -0.806 29.613 30.300 0.198 0.000 0.856 100 R HN 0.178 nan 8.270 nan 0.000 0.436 101 S N 0.228 116.050 115.700 0.202 0.000 2.368 101 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 101 S C 1.641 176.353 174.600 0.187 0.000 1.030 101 S CA 1.088 59.376 58.200 0.147 0.000 0.999 101 S CB -0.392 62.864 63.200 0.093 0.000 0.844 101 S HN 0.314 nan 8.310 nan 0.000 0.459 102 Y N 1.176 121.539 120.300 0.105 0.000 2.181 102 Y HA -0.132 4.418 4.550 -0.000 0.000 0.288 102 Y C 1.883 177.942 175.900 0.264 0.000 1.146 102 Y CA 1.090 59.256 58.100 0.111 0.000 1.164 102 Y CB -0.462 38.023 38.460 0.040 0.000 0.982 102 Y HN 0.169 nan 8.280 nan 0.000 0.515 103 F N 0.189 120.436 119.950 0.495 0.000 2.146 103 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 103 F C 2.239 178.268 175.800 0.382 0.000 1.096 103 F CA 1.185 59.478 58.000 0.488 0.000 1.275 103 F CB -1.071 38.243 39.000 0.524 0.000 1.008 103 F HN 0.083 nan 8.300 nan 0.000 0.480 104 N N 0.353 119.306 118.700 0.421 0.000 2.120 104 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 104 N C 1.989 177.568 175.510 0.116 0.000 1.024 104 N CA 1.145 54.334 53.050 0.231 0.000 0.852 104 N CB -0.341 38.218 38.487 0.120 0.000 1.003 104 N HN 0.287 nan 8.380 nan 0.000 0.424 105 R N -0.509 120.010 120.500 0.031 0.000 2.075 105 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 105 R C 2.069 178.433 176.300 0.106 0.000 1.126 105 R CA 1.212 57.240 56.100 -0.120 0.000 0.963 105 R CB -0.489 29.399 30.300 -0.687 0.000 0.858 105 R HN 0.425 nan 8.270 nan 0.000 0.435 106 H N -0.120 119.086 119.070 0.227 0.000 2.357 106 H HA -0.071 4.484 4.556 -0.000 0.000 0.301 106 H C 1.223 176.331 175.328 -0.366 0.000 1.082 106 H CA 1.640 57.666 56.048 -0.037 0.000 1.342 106 H CB 0.021 29.687 29.762 -0.160 0.000 1.389 106 H HN 0.067 nan 8.280 nan 0.000 0.511 107 F N 0.081 119.944 119.950 -0.145 0.000 2.754 107 F HA 0.267 4.794 4.527 -0.000 0.000 0.297 107 F C 0.960 176.497 175.800 -0.438 0.000 1.122 107 F CA 0.367 58.052 58.000 -0.525 0.000 1.400 107 F CB 0.109 39.028 39.000 -0.135 0.000 1.117 107 F HN 0.000 nan 8.300 nan 0.000 0.587 108 R N 0.939 121.389 120.500 -0.083 0.000 3.516 108 R HA -0.184 4.156 4.340 -0.000 0.000 0.271 108 R C -0.769 175.552 176.300 0.035 0.000 1.098 108 R CA 0.592 56.653 56.100 -0.066 0.000 0.732 108 R CB -1.750 28.450 30.300 -0.168 0.000 1.152 108 R HN 0.246 nan 8.270 nan 0.000 0.455 109 E N -0.164 120.088 120.200 0.088 0.000 2.393 109 E HA 0.376 4.726 4.350 -0.000 0.000 0.273 109 E C -2.473 174.183 176.600 0.093 0.000 0.918 109 E CA -2.094 54.362 56.400 0.093 0.000 0.773 109 E CB 2.075 31.831 29.700 0.093 0.000 1.275 109 E HN -0.115 nan 8.360 nan 0.000 0.451 110 P HA 0.142 nan 4.420 nan 0.000 0.271 110 P C -0.454 176.907 177.300 0.101 0.000 1.218 110 P CA -0.250 62.892 63.100 0.069 0.000 0.780 110 P CB 0.733 32.456 31.700 0.039 0.000 0.901 111 V N 2.396 122.380 119.914 0.116 0.000 2.444 111 V HA 0.216 4.336 4.120 -0.000 0.000 0.294 111 V C 0.175 176.335 176.094 0.111 0.000 1.022 111 V CA -0.392 61.990 62.300 0.136 0.000 0.850 111 V CB 1.663 33.639 31.823 0.254 0.000 0.992 111 V HN 0.485 nan 8.190 nan 0.000 0.426 112 S N 3.475 119.223 115.700 0.080 0.000 2.438 112 S HA 0.628 5.098 4.470 -0.000 0.000 0.293 112 S C -0.461 174.172 174.600 0.056 0.000 1.141 112 S CA -0.423 57.793 58.200 0.027 0.000 1.080 112 S CB 1.121 64.299 63.200 -0.036 0.000 0.978 112 S HN 0.871 nan 8.310 nan 0.000 0.479 113 C N 3.734 123.054 119.300 0.033 0.000 3.082 113 C HA 0.808 5.268 4.460 -0.000 0.000 0.324 113 C C -0.883 174.114 174.990 0.011 0.000 1.210 113 C CA -0.434 58.632 59.018 0.079 0.000 1.366 113 C CB 0.662 28.511 27.740 0.182 0.000 1.756 113 C HN 0.843 nan 8.230 nan 0.000 0.485 114 V N 2.090 122.004 119.914 -0.000 0.000 3.040 114 V HA 0.981 5.101 4.120 -0.000 0.000 0.312 114 V C -0.479 175.478 176.094 -0.228 0.000 1.115 114 V CA -0.223 62.022 62.300 -0.092 0.000 0.998 114 V CB 1.687 33.467 31.823 -0.072 0.000 1.042 114 V HN 1.095 nan 8.190 nan 0.000 0.433 115 S N 0.380 115.930 115.700 -0.250 0.000 2.568 115 S HA 0.565 5.035 4.470 -0.000 0.000 0.293 115 S C 0.044 174.441 174.600 -0.338 0.000 1.089 115 S CA 0.099 58.118 58.200 -0.302 0.000 0.945 115 S CB 1.989 65.113 63.200 -0.127 0.000 1.077 115 S HN 1.078 nan 8.310 nan 0.000 0.485 116 D N 0.994 121.201 120.400 -0.321 0.000 2.340 116 D HA 0.128 4.768 4.640 -0.000 0.000 0.220 116 D C 0.340 176.583 176.300 -0.095 0.000 1.039 116 D CA 0.401 54.316 54.000 -0.142 0.000 0.866 116 D CB -0.422 40.392 40.800 0.024 0.000 0.913 116 D HN 0.516 nan 8.370 nan 0.000 0.523 117 S N -0.586 115.049 115.700 -0.108 0.000 3.711 117 S HA -0.239 4.231 4.470 -0.000 0.000 0.374 117 S C 0.185 174.754 174.600 -0.053 0.000 0.969 117 S CA 0.139 58.298 58.200 -0.068 0.000 1.198 117 S CB -2.247 60.927 63.200 -0.044 0.000 0.903 117 S HN 0.468 nan 8.310 nan 0.000 0.493 118 M N 1.965 121.521 119.600 -0.073 0.000 2.246 118 M HA 0.147 4.627 4.480 -0.000 0.000 0.350 118 M C 1.150 177.443 176.300 -0.012 0.000 1.406 118 M CA 0.484 55.760 55.300 -0.040 0.000 1.089 118 M CB 0.293 32.858 32.600 -0.059 0.000 1.782 118 M HN 0.470 nan 8.290 nan 0.000 0.457 119 T N -0.611 113.947 114.554 0.007 0.000 2.880 119 T HA 0.196 4.546 4.350 -0.000 0.000 0.279 119 T C 0.925 175.624 174.700 -0.001 0.000 0.990 119 T CA -0.927 61.178 62.100 0.007 0.000 0.938 119 T CB 1.060 69.939 68.868 0.018 0.000 1.206 119 T HN 0.730 nan 8.240 nan 0.000 0.573 120 E N 0.709 120.901 120.200 -0.012 0.000 2.077 120 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 120 E C 1.526 178.076 176.600 -0.085 0.000 0.989 120 E CA 1.917 58.294 56.400 -0.038 0.000 0.800 120 E CB -0.264 29.417 29.700 -0.032 0.000 0.746 120 E HN 0.793 nan 8.360 nan 0.000 0.452 121 D N 0.170 120.535 120.400 -0.058 0.000 2.144 121 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 121 D C 1.852 178.048 176.300 -0.172 0.000 0.978 121 D CA 1.240 55.167 54.000 -0.121 0.000 0.833 121 D CB -0.357 40.535 40.800 0.153 0.000 0.961 121 D HN 0.249 nan 8.370 nan 0.000 0.470 122 A N 0.675 123.515 122.820 0.034 0.000 2.015 122 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 122 A C 2.350 179.945 177.584 0.019 0.000 1.163 122 A CA 1.617 53.719 52.037 0.108 0.000 0.646 122 A CB -0.865 18.188 19.000 0.089 0.000 0.806 122 A HN 0.341 nan 8.150 nan 0.000 0.448 123 A N -0.032 122.755 122.820 -0.056 0.000 1.898 123 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 123 A C 2.379 179.898 177.584 -0.109 0.000 1.181 123 A CA 1.996 54.006 52.037 -0.046 0.000 0.620 123 A CB -1.173 17.798 19.000 -0.049 0.000 0.819 123 A HN 1.167 nan 8.150 nan 0.000 0.442 124 V N -2.328 117.410 119.914 -0.293 0.000 2.270 124 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 124 V C 2.222 178.169 176.094 -0.245 0.000 1.043 124 V CA 2.233 64.330 62.300 -0.339 0.000 1.014 124 V CB -1.244 30.266 31.823 -0.522 0.000 0.645 124 V HN 0.366 nan 8.190 nan 0.000 0.447 125 F N 2.431 122.403 119.950 0.038 0.000 2.146 125 F HA 0.535 5.062 4.527 -0.000 0.000 0.298 125 F C 1.592 177.426 175.800 0.056 0.000 1.096 125 F CA 0.816 58.836 58.000 0.033 0.000 1.275 125 F CB -1.321 37.685 39.000 0.010 0.000 1.008 125 F HN 0.694 nan 8.300 nan 0.000 0.480 126 G N -1.409 107.544 108.800 0.256 0.000 2.354 126 G HA2 0.271 4.231 3.960 -0.000 0.000 0.582 126 G HA3 0.271 4.231 3.960 -0.000 0.000 0.582 126 G C 0.368 175.432 174.900 0.274 0.000 1.316 126 G CA -0.600 44.664 45.100 0.274 0.000 0.995 126 G HN 0.456 nan 8.290 nan 0.000 0.573 127 G N -0.911 108.175 108.800 0.476 0.000 3.233 127 G HA2 0.325 4.285 3.960 -0.000 0.000 0.227 127 G HA3 0.325 4.285 3.960 -0.000 0.000 0.227 127 G C 1.151 176.151 174.900 0.167 0.000 1.175 127 G CA 1.358 46.779 45.100 0.535 0.000 0.781 127 G HN 0.722 nan 8.290 nan 0.000 0.542 128 Q N 0.189 119.680 119.800 -0.515 0.000 2.084 128 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 128 Q C 2.487 178.262 176.000 -0.377 0.000 0.978 128 Q CA 1.661 56.957 55.803 -0.846 0.000 0.844 128 Q CB -0.152 28.103 28.738 -0.804 0.000 0.898 128 Q HN 0.413 nan 8.270 nan 0.000 0.426 129 Q N 0.127 119.792 119.800 -0.224 0.000 2.079 129 Q HA -0.053 4.287 4.340 -0.000 0.000 0.200 129 Q C 1.556 177.469 176.000 -0.145 0.000 0.974 129 Q CA 1.968 57.656 55.803 -0.192 0.000 0.840 129 Q CB -0.181 28.484 28.738 -0.122 0.000 0.898 129 Q HN 0.576 nan 8.270 nan 0.000 0.430 130 N N -0.538 118.135 118.700 -0.045 0.000 2.120 130 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 130 N C 1.659 177.217 175.510 0.079 0.000 1.024 130 N CA 1.521 54.578 53.050 0.012 0.000 0.852 130 N CB -0.217 38.274 38.487 0.006 0.000 1.003 130 N HN 0.273 nan 8.380 nan 0.000 0.424 131 M N 1.904 121.582 119.600 0.129 0.000 2.132 131 M HA -0.063 4.417 4.480 -0.000 0.000 0.263 131 M C 1.753 178.023 176.300 -0.049 0.000 1.065 131 M CA 1.603 57.014 55.300 0.184 0.000 1.122 131 M CB -0.049 32.696 32.600 0.242 0.000 1.365 131 M HN -0.110 nan 8.290 nan 0.000 0.411 132 K N -0.131 120.093 120.400 -0.293 0.000 2.025 132 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 132 K C 1.702 178.000 176.600 -0.502 0.000 1.049 132 K CA 1.582 57.468 56.287 -0.669 0.000 0.933 132 K CB -0.313 31.287 32.500 -1.500 0.000 0.714 132 K HN 0.370 nan 8.250 nan 0.000 0.438 133 D N 0.051 120.257 120.400 -0.323 0.000 2.117 133 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 133 D C 2.023 178.357 176.300 0.058 0.000 0.982 133 D CA 1.367 55.336 54.000 -0.051 0.000 0.828 133 D CB -0.460 40.328 40.800 -0.020 0.000 0.967 133 D HN 0.337 nan 8.370 nan 0.000 0.464 134 G N 0.985 109.844 108.800 0.098 0.000 2.418 134 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 134 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 134 G C 1.833 176.936 174.900 0.338 0.000 1.158 134 G CA 0.279 45.530 45.100 0.251 0.000 0.771 134 G HN 0.225 nan 8.290 nan 0.000 0.545 135 L N -0.189 121.146 121.223 0.186 0.000 2.056 135 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 135 L C 2.992 179.896 176.870 0.056 0.000 1.078 135 L CA 1.575 56.451 54.840 0.059 0.000 0.749 135 L CB -0.415 41.603 42.059 -0.068 0.000 0.901 135 L HN 0.341 nan 8.230 nan 0.000 0.433 136 Q N 0.078 119.932 119.800 0.089 0.000 2.079 136 Q HA -0.199 4.141 4.340 -0.000 0.000 0.200 136 Q C 1.973 178.015 176.000 0.071 0.000 0.974 136 Q CA 1.576 57.439 55.803 0.099 0.000 0.840 136 Q CB 0.123 29.012 28.738 0.252 0.000 0.898 136 Q HN 0.450 nan 8.270 nan 0.000 0.430 137 N N 0.292 119.052 118.700 0.100 0.000 2.142 137 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 137 N C 1.929 177.488 175.510 0.082 0.000 1.023 137 N CA 1.288 54.385 53.050 0.077 0.000 0.852 137 N CB -0.887 37.652 38.487 0.088 0.000 0.998 137 N HN 0.373 nan 8.380 nan 0.000 0.424 138 C N 1.666 121.071 119.300 0.174 0.000 2.429 138 C HA -0.013 4.447 4.460 -0.000 0.000 0.277 138 C C 2.602 177.717 174.990 0.208 0.000 1.262 138 C CA 0.847 60.037 59.018 0.287 0.000 1.733 138 C CB -0.806 27.177 27.740 0.404 0.000 2.010 138 C HN 0.389 nan 8.230 nan 0.000 0.483 139 K N 0.355 120.806 120.400 0.085 0.000 2.057 139 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 139 K C 2.239 178.834 176.600 -0.009 0.000 1.050 139 K CA 1.517 57.796 56.287 -0.013 0.000 0.935 139 K CB -0.372 31.957 32.500 -0.284 0.000 0.715 139 K HN 0.539 nan 8.250 nan 0.000 0.439 140 A N 0.603 123.405 122.820 -0.029 0.000 1.877 140 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 140 A C 2.163 179.700 177.584 -0.078 0.000 1.186 140 A CA 2.181 54.193 52.037 -0.042 0.000 0.620 140 A CB -0.976 18.000 19.000 -0.039 0.000 0.822 140 A HN 0.438 nan 8.150 nan 0.000 0.443 141 T N -1.354 113.104 114.554 -0.159 0.000 2.737 141 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 141 T C 1.395 175.774 174.700 -0.535 0.000 1.038 141 T CA 1.737 63.591 62.100 -0.409 0.000 1.144 141 T CB -0.375 68.092 68.868 -0.667 0.000 0.866 141 T HN 0.565 nan 8.240 nan 0.000 0.434 142 Y N 0.625 120.998 120.300 0.121 0.000 2.458 142 Y HA 0.336 4.886 4.550 -0.000 0.000 0.256 142 Y C 0.781 176.827 175.900 0.242 0.000 1.159 142 Y CA -0.720 57.477 58.100 0.162 0.000 1.261 142 Y CB 0.141 38.713 38.460 0.186 0.000 1.119 142 Y HN -0.077 nan 8.280 nan 0.000 0.524 143 K N -0.602 119.952 120.400 0.255 0.000 3.035 143 K HA -0.177 4.143 4.320 -0.000 0.000 0.262 143 K C -2.750 174.019 176.600 0.280 0.000 1.024 143 K CA 0.474 56.901 56.287 0.233 0.000 0.748 143 K CB -2.074 30.538 32.500 0.186 0.000 1.247 143 K HN 0.365 nan 8.250 nan 0.000 0.482 144 P HA 0.111 nan 4.420 nan 0.000 0.275 144 P C 0.304 177.699 177.300 0.159 0.000 1.227 144 P CA -0.027 63.143 63.100 0.116 0.000 0.781 144 P CB 0.790 32.651 31.700 0.268 0.000 0.906 145 D N 1.431 121.780 120.400 -0.085 0.000 2.117 145 D HA -0.012 4.628 4.640 -0.000 0.000 0.198 145 D C 0.926 176.995 176.300 -0.385 0.000 0.982 145 D CA 1.640 55.579 54.000 -0.101 0.000 0.828 145 D CB 0.037 40.748 40.800 -0.149 0.000 0.967 145 D HN 0.398 nan 8.370 nan 0.000 0.464 146 M N 0.023 119.451 119.600 -0.287 0.000 2.518 146 M HA 0.441 4.921 4.480 -0.000 0.000 0.300 146 M C -1.815 174.440 176.300 -0.075 0.000 1.175 146 M CA -0.543 54.531 55.300 -0.376 0.000 0.890 146 M CB 2.518 34.964 32.600 -0.257 0.000 1.710 146 M HN -0.292 nan 8.290 nan 0.000 0.453 147 I N 3.408 123.975 120.570 -0.005 0.000 2.418 147 I HA 0.590 4.760 4.170 -0.000 0.000 0.287 147 I C -0.719 175.382 176.117 -0.026 0.000 1.008 147 I CA -0.777 60.596 61.300 0.122 0.000 1.104 147 I CB 2.014 40.169 38.000 0.257 0.000 1.264 147 I HN 0.836 nan 8.210 nan 0.000 0.438 148 A N 6.968 129.783 122.820 -0.007 0.000 2.273 148 A HA 0.683 5.003 4.320 -0.000 0.000 0.315 148 A C -0.529 177.064 177.584 0.016 0.000 1.256 148 A CA -0.480 51.506 52.037 -0.085 0.000 0.851 148 A CB 0.856 19.774 19.000 -0.137 0.000 1.172 148 A HN 0.438 nan 8.150 nan 0.000 0.508 149 V N 2.946 122.857 119.914 -0.005 0.000 2.498 149 V HA 0.519 4.639 4.120 -0.000 0.000 0.279 149 V C 0.410 176.544 176.094 0.066 0.000 1.048 149 V CA 0.018 62.369 62.300 0.085 0.000 0.967 149 V CB 0.939 32.777 31.823 0.026 0.000 0.988 149 V HN 0.991 nan 8.190 nan 0.000 0.473 150 S N 2.527 118.301 115.700 0.124 0.000 2.667 150 S HA 0.881 5.351 4.470 -0.000 0.000 0.292 150 S C -0.336 174.340 174.600 0.128 0.000 1.126 150 S CA -0.877 57.365 58.200 0.070 0.000 0.881 150 S CB 2.244 65.477 63.200 0.055 0.000 1.132 150 S HN 0.883 nan 8.310 nan 0.000 0.492 151 T N -1.207 113.404 114.554 0.094 0.000 2.900 151 T HA 0.719 5.069 4.350 -0.000 0.000 0.295 151 T C -0.180 174.610 174.700 0.149 0.000 1.044 151 T CA -0.831 61.361 62.100 0.153 0.000 0.995 151 T CB 1.190 70.123 68.868 0.109 0.000 1.072 151 T HN 0.791 nan 8.240 nan 0.000 0.473 152 T N -1.057 113.608 114.554 0.185 0.000 2.904 152 T HA 0.250 4.599 4.350 -0.000 0.000 0.290 152 T C 2.000 176.791 174.700 0.152 0.000 1.018 152 T CA -0.363 61.844 62.100 0.177 0.000 1.075 152 T CB 0.288 69.259 68.868 0.171 0.000 0.986 152 T HN 1.112 nan 8.240 nan 0.000 0.523 153 C N 2.137 121.523 119.300 0.144 0.000 2.403 153 C HA -0.117 4.343 4.460 -0.000 0.000 0.282 153 C C 2.547 177.681 174.990 0.239 0.000 1.297 153 C CA 0.698 59.839 59.018 0.204 0.000 1.785 153 C CB -1.852 26.057 27.740 0.281 0.000 1.963 153 C HN 0.920 nan 8.230 nan 0.000 0.507 154 M N 2.125 121.827 119.600 0.171 0.000 2.132 154 M HA -0.055 4.425 4.480 -0.000 0.000 0.263 154 M C 2.548 178.945 176.300 0.160 0.000 1.065 154 M CA 2.247 57.631 55.300 0.140 0.000 1.122 154 M CB -0.478 32.180 32.600 0.096 0.000 1.365 154 M HN 0.474 nan 8.290 nan 0.000 0.411 155 A N 0.401 123.331 122.820 0.183 0.000 1.902 155 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 155 A C 1.888 179.600 177.584 0.213 0.000 1.181 155 A CA 1.644 53.820 52.037 0.232 0.000 0.623 155 A CB -0.703 18.497 19.000 0.334 0.000 0.818 155 A HN 0.563 nan 8.150 nan 0.000 0.443 156 E N -0.149 120.182 120.200 0.219 0.000 2.077 156 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 156 E C 2.227 178.988 176.600 0.269 0.000 0.989 156 E CA 1.306 57.849 56.400 0.237 0.000 0.800 156 E CB -0.600 29.214 29.700 0.190 0.000 0.746 156 E HN 0.367 nan 8.360 nan 0.000 0.452 157 V N 2.398 122.481 119.914 0.282 0.000 2.358 157 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 157 V C 2.510 178.670 176.094 0.110 0.000 1.047 157 V CA 1.679 64.083 62.300 0.173 0.000 1.035 157 V CB -0.621 31.266 31.823 0.107 0.000 0.658 157 V HN 0.353 nan 8.190 nan 0.000 0.452 158 I N -0.729 119.910 120.570 0.115 0.000 2.614 158 I HA 0.174 4.344 4.170 -0.000 0.000 0.258 158 I C 1.476 177.649 176.117 0.095 0.000 1.189 158 I CA 1.205 62.562 61.300 0.094 0.000 1.462 158 I CB -0.695 37.368 38.000 0.105 0.000 1.092 158 I HN 0.423 nan 8.210 nan 0.000 0.442 159 G N 1.712 110.573 108.800 0.102 0.000 2.171 159 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.238 159 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.238 159 G C -0.450 174.462 174.900 0.021 0.000 1.039 159 G CA 0.125 45.262 45.100 0.062 0.000 0.759 159 G HN 0.521 nan 8.290 nan 0.000 0.501 160 D N 0.614 121.023 120.400 0.014 0.000 2.414 160 D HA 0.333 4.973 4.640 -0.000 0.000 0.242 160 D C 0.182 176.184 176.300 -0.498 0.000 1.129 160 D CA 0.202 54.062 54.000 -0.233 0.000 0.885 160 D CB 1.027 41.709 40.800 -0.196 0.000 1.198 160 D HN 0.212 nan 8.370 nan 0.000 0.437 161 D N 2.394 122.259 120.400 -0.891 0.000 2.313 161 D HA 0.083 4.723 4.640 -0.000 0.000 0.239 161 D C 1.124 176.848 176.300 -0.961 0.000 1.142 161 D CA -0.349 53.295 54.000 -0.593 0.000 0.847 161 D CB 0.933 41.536 40.800 -0.327 0.000 1.082 161 D HN 0.267 nan 8.370 nan 0.000 0.480 162 L N 3.786 124.650 121.223 -0.598 0.000 2.056 162 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 162 L C 2.119 178.504 176.870 -0.808 0.000 1.078 162 L CA 0.871 55.274 54.840 -0.728 0.000 0.749 162 L CB -0.326 41.313 42.059 -0.700 0.000 0.901 162 L HN 0.453 nan 8.230 nan 0.000 0.433 163 N N -0.033 118.133 118.700 -0.889 0.000 2.142 163 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 163 N C 1.805 177.109 175.510 -0.343 0.000 1.023 163 N CA 1.363 53.909 53.050 -0.839 0.000 0.852 163 N CB -0.001 38.207 38.487 -0.466 0.000 0.998 163 N HN 0.271 nan 8.380 nan 0.000 0.424 164 A N -0.275 122.428 122.820 -0.196 0.000 1.898 164 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 164 A C 1.800 179.470 177.584 0.143 0.000 1.181 164 A CA 0.939 52.977 52.037 0.002 0.000 0.620 164 A CB -0.911 18.134 19.000 0.076 0.000 0.819 164 A HN 0.350 nan 8.150 nan 0.000 0.442 165 F N 0.006 119.846 119.950 -0.184 0.000 2.134 165 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 165 F C 2.188 177.888 175.800 -0.167 0.000 1.097 165 F CA 0.440 58.342 58.000 -0.163 0.000 1.264 165 F CB -0.938 37.944 39.000 -0.198 0.000 1.001 165 F HN 0.116 nan 8.300 nan 0.000 0.479 166 I N -0.176 120.380 120.570 -0.024 0.000 2.252 166 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 166 I C 2.117 178.220 176.117 -0.025 0.000 1.102 166 I CA 0.940 62.198 61.300 -0.070 0.000 1.385 166 I CB -0.407 37.493 38.000 -0.167 0.000 1.064 166 I HN 0.077 nan 8.210 nan 0.000 0.414 167 N N 1.070 119.750 118.700 -0.034 0.000 2.142 167 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 167 N C 1.473 176.995 175.510 0.019 0.000 1.023 167 N CA 1.434 54.482 53.050 -0.004 0.000 0.852 167 N CB -0.634 37.844 38.487 -0.016 0.000 0.998 167 N HN 0.466 nan 8.380 nan 0.000 0.424 168 N N 0.050 118.762 118.700 0.021 0.000 2.309 168 N HA -0.009 4.731 4.740 -0.000 0.000 0.182 168 N C 1.529 177.068 175.510 0.048 0.000 1.018 168 N CA 0.630 53.695 53.050 0.025 0.000 0.876 168 N CB 0.071 38.557 38.487 -0.002 0.000 0.972 168 N HN 0.089 nan 8.380 nan 0.000 0.434 169 S N 0.956 116.673 115.700 0.028 0.000 2.368 169 S HA -0.056 4.414 4.470 -0.000 0.000 0.224 169 S C 1.693 176.393 174.600 0.168 0.000 1.029 169 S CA 0.983 59.223 58.200 0.068 0.000 0.988 169 S CB -0.014 63.176 63.200 -0.018 0.000 0.838 169 S HN 0.292 nan 8.310 nan 0.000 0.462 170 K N 1.243 121.701 120.400 0.096 0.000 2.057 170 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 170 K C 2.292 178.935 176.600 0.072 0.000 1.050 170 K CA 1.005 57.343 56.287 0.086 0.000 0.935 170 K CB -0.145 32.397 32.500 0.070 0.000 0.715 170 K HN 0.233 nan 8.250 nan 0.000 0.439 171 K N 1.664 122.102 120.400 0.063 0.000 2.057 171 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 171 K C 1.616 178.247 176.600 0.052 0.000 1.049 171 K CA 1.597 57.911 56.287 0.045 0.000 0.931 171 K CB 0.076 32.598 32.500 0.036 0.000 0.714 171 K HN 0.101 nan 8.250 nan 0.000 0.440 172 E N -1.113 119.147 120.200 0.100 0.000 2.427 172 E HA -0.029 4.321 4.350 -0.000 0.000 0.196 172 E C 0.550 177.158 176.600 0.013 0.000 1.028 172 E CA 0.507 56.971 56.400 0.108 0.000 0.864 172 E CB 0.189 30.047 29.700 0.263 0.000 0.813 172 E HN 0.676 nan 8.360 nan 0.000 0.514 173 G N -0.019 108.800 108.800 0.031 0.000 2.141 173 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.231 173 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.231 173 G C 0.491 175.310 174.900 -0.136 0.000 0.984 173 G CA 0.153 45.211 45.100 -0.068 0.000 0.660 173 G HN 0.277 nan 8.290 nan 0.000 0.525 174 F N 0.671 120.600 119.950 -0.034 0.000 2.146 174 F HA 0.282 4.809 4.527 -0.000 0.000 0.298 174 F C 1.865 177.625 175.800 -0.067 0.000 1.096 174 F CA 1.861 59.834 58.000 -0.044 0.000 1.275 174 F CB 0.053 39.030 39.000 -0.038 0.000 1.008 174 F HN 0.490 nan 8.300 nan 0.000 0.480 175 I N -3.868 116.766 120.570 0.106 0.000 2.934 175 I HA 0.546 4.716 4.170 -0.000 0.000 0.306 175 I C -2.903 173.221 176.117 0.012 0.000 1.110 175 I CA -2.665 58.623 61.300 -0.022 0.000 1.019 175 I CB 1.800 39.743 38.000 -0.095 0.000 1.227 175 I HN -0.370 nan 8.210 nan 0.000 0.434 176 P HA 0.070 nan 4.420 nan 0.000 0.270 176 P C -0.134 177.236 177.300 0.117 0.000 1.223 176 P CA -0.008 63.134 63.100 0.070 0.000 0.785 176 P CB 0.575 32.339 31.700 0.106 0.000 0.923 177 D N 1.007 121.460 120.400 0.089 0.000 2.117 177 D HA -0.151 4.489 4.640 -0.000 0.000 0.198 177 D C 1.316 177.678 176.300 0.103 0.000 0.982 177 D CA 1.310 55.358 54.000 0.080 0.000 0.828 177 D CB 0.176 41.004 40.800 0.046 0.000 0.967 177 D HN 0.440 nan 8.370 nan 0.000 0.464 178 E N -0.277 119.988 120.200 0.108 0.000 2.204 178 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 178 E C 0.647 177.341 176.600 0.156 0.000 0.989 178 E CA -0.113 56.352 56.400 0.107 0.000 0.824 178 E CB -0.112 29.640 29.700 0.087 0.000 0.756 178 E HN 0.218 nan 8.360 nan 0.000 0.477 179 F N 3.711 123.691 119.950 0.050 0.000 2.571 179 F HA 0.019 4.546 4.527 -0.000 0.000 0.384 179 F C -1.898 173.936 175.800 0.058 0.000 1.058 179 F CA -2.283 55.746 58.000 0.049 0.000 1.200 179 F CB 0.518 39.539 39.000 0.034 0.000 1.077 179 F HN -0.154 nan 8.300 nan 0.000 0.558 180 P HA 0.027 nan 4.420 nan 0.000 0.267 180 P C -0.932 176.117 177.300 -0.418 0.000 1.209 180 P CA 0.095 62.984 63.100 -0.351 0.000 0.763 180 P CB 1.254 32.747 31.700 -0.345 0.000 0.816 181 V N 5.694 125.367 119.914 -0.403 0.000 2.546 181 V HA 0.189 4.309 4.120 -0.000 0.000 0.260 181 V C -2.030 173.821 176.094 -0.404 0.000 0.933 181 V CA -1.566 60.581 62.300 -0.254 0.000 0.994 181 V CB 1.120 32.967 31.823 0.039 0.000 1.160 181 V HN 0.538 nan 8.190 nan 0.000 0.523 182 P HA 0.354 nan 4.420 nan 0.000 0.271 182 P C -0.887 176.254 177.300 -0.264 0.000 1.218 182 P CA 0.144 62.827 63.100 -0.696 0.000 0.780 182 P CB 1.015 32.210 31.700 -0.842 0.000 0.901 183 F N -0.594 119.214 119.950 -0.237 0.000 2.601 183 F HA 0.836 5.363 4.527 -0.000 0.000 0.309 183 F C -1.611 174.078 175.800 -0.185 0.000 1.089 183 F CA -1.649 56.229 58.000 -0.203 0.000 0.940 183 F CB 1.330 40.211 39.000 -0.198 0.000 1.273 183 F HN 0.475 nan 8.300 nan 0.000 0.450 184 A N 1.962 124.666 122.820 -0.194 0.000 2.427 184 A HA 0.535 4.855 4.320 -0.000 0.000 0.298 184 A C -1.563 175.975 177.584 -0.075 0.000 1.036 184 A CA -0.683 51.241 52.037 -0.189 0.000 0.701 184 A CB 0.807 19.697 19.000 -0.184 0.000 1.250 184 A HN 0.925 nan 8.150 nan 0.000 0.412 185 H N 1.804 120.883 119.070 0.015 0.000 2.722 185 H HA 0.325 4.881 4.556 -0.000 0.000 0.328 185 H C 0.090 175.405 175.328 -0.022 0.000 1.067 185 H CA 1.475 57.533 56.048 0.017 0.000 1.447 185 H CB 1.026 30.794 29.762 0.011 0.000 1.469 185 H HN 0.671 nan 8.280 nan 0.000 0.544 186 T N 1.566 116.152 114.554 0.053 0.000 3.317 186 T HA 0.201 4.551 4.350 -0.000 0.000 0.361 186 T C -2.827 171.824 174.700 -0.082 0.000 1.499 186 T CA -1.923 60.173 62.100 -0.007 0.000 1.529 186 T CB 0.952 69.817 68.868 -0.006 0.000 0.997 186 T HN 0.329 nan 8.240 nan 0.000 0.624 187 P HA 0.072 nan 4.420 nan 0.000 0.267 187 P C 1.234 178.243 177.300 -0.485 0.000 1.209 187 P CA 0.031 62.817 63.100 -0.523 0.000 0.763 187 P CB 1.319 32.576 31.700 -0.739 0.000 0.816 188 S N 3.846 119.291 115.700 -0.426 0.000 2.383 188 S HA -0.194 4.276 4.470 -0.000 0.000 0.227 188 S C 1.748 176.270 174.600 -0.131 0.000 1.026 188 S CA 0.811 58.911 58.200 -0.167 0.000 0.981 188 S CB -1.534 61.667 63.200 0.001 0.000 0.818 188 S HN 0.450 nan 8.310 nan 0.000 0.472 189 F N 2.504 122.472 119.950 0.029 0.000 2.134 189 F HA 0.227 4.754 4.527 -0.000 0.000 0.299 189 F C 1.089 176.894 175.800 0.008 0.000 1.097 189 F CA -0.236 57.772 58.000 0.014 0.000 1.264 189 F CB -1.328 37.682 39.000 0.016 0.000 1.001 189 F HN -0.054 nan 8.300 nan 0.000 0.479 190 V N 1.529 121.397 119.914 -0.078 0.000 2.614 190 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 190 V C 1.054 177.118 176.094 -0.050 0.000 1.049 190 V CA -0.146 62.148 62.300 -0.011 0.000 1.038 190 V CB 0.113 31.915 31.823 -0.037 0.000 0.980 190 V HN 0.785 nan 8.190 nan 0.000 0.481 191 G N 5.125 113.911 108.800 -0.024 0.000 2.583 191 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.292 191 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.292 191 G C 0.090 174.932 174.900 -0.097 0.000 1.203 191 G CA 0.268 45.335 45.100 -0.055 0.000 0.987 191 G HN 1.456 nan 8.290 nan 0.000 0.554 192 S N -1.704 113.911 115.700 -0.142 0.000 2.790 192 S HA 0.646 5.115 4.470 -0.000 0.000 0.292 192 S C 0.785 175.243 174.600 -0.237 0.000 1.197 192 S CA 0.421 58.496 58.200 -0.208 0.000 0.851 192 S CB 1.043 64.011 63.200 -0.387 0.000 1.217 192 S HN 1.371 nan 8.310 nan 0.000 0.526 193 H N 0.798 119.758 119.070 -0.183 0.000 2.457 193 H HA -0.015 4.541 4.556 -0.000 0.000 0.294 193 H C 1.998 177.188 175.328 -0.230 0.000 1.064 193 H CA 1.799 57.731 56.048 -0.193 0.000 1.330 193 H CB -1.160 28.421 29.762 -0.302 0.000 1.395 193 H HN 0.419 nan 8.280 nan 0.000 0.541 194 V N 1.077 120.447 119.914 -0.905 0.000 2.358 194 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 194 V C 2.862 178.895 176.094 -0.101 0.000 1.047 194 V CA 2.262 64.168 62.300 -0.656 0.000 1.035 194 V CB -1.522 29.796 31.823 -0.841 0.000 0.658 194 V HN 0.574 nan 8.190 nan 0.000 0.452 195 T N -0.806 113.691 114.554 -0.095 0.000 2.777 195 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 195 T C 2.088 176.843 174.700 0.092 0.000 1.040 195 T CA 1.472 63.597 62.100 0.042 0.000 1.141 195 T CB -1.132 67.732 68.868 -0.007 0.000 0.868 195 T HN 0.617 nan 8.240 nan 0.000 0.444 196 G N -0.023 108.809 108.800 0.052 0.000 2.440 196 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 196 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 196 G C 1.317 176.328 174.900 0.184 0.000 1.154 196 G CA 0.686 45.837 45.100 0.086 0.000 0.767 196 G HN 0.646 nan 8.290 nan 0.000 0.552 197 W N 1.141 122.518 121.300 0.127 0.000 2.381 197 W HA -0.058 4.602 4.660 -0.000 0.000 0.301 197 W C 2.228 178.893 176.519 0.243 0.000 1.205 197 W CA 1.385 58.876 57.345 0.243 0.000 1.285 197 W CB 0.039 29.710 29.460 0.352 0.000 1.133 197 W HN 0.257 nan 8.180 nan 0.000 0.521 198 D N 0.006 120.779 120.400 0.622 0.000 2.117 198 D HA -0.240 4.400 4.640 -0.000 0.000 0.197 198 D C 1.741 178.187 176.300 0.243 0.000 0.987 198 D CA 1.728 56.026 54.000 0.497 0.000 0.829 198 D CB -0.535 40.479 40.800 0.357 0.000 0.961 198 D HN 0.075 nan 8.370 nan 0.000 0.460 199 N N -0.192 118.588 118.700 0.132 0.000 2.120 199 N HA -0.155 4.584 4.740 -0.000 0.000 0.188 199 N C 1.765 177.234 175.510 -0.068 0.000 1.024 199 N CA 0.885 53.949 53.050 0.023 0.000 0.852 199 N CB -0.446 38.048 38.487 0.011 0.000 1.003 199 N HN 0.267 nan 8.380 nan 0.000 0.424 200 M N 0.095 119.641 119.600 -0.090 0.000 2.117 200 M HA -0.052 4.428 4.480 -0.000 0.000 0.262 200 M C 1.798 177.941 176.300 -0.262 0.000 1.065 200 M CA 1.183 56.367 55.300 -0.193 0.000 1.114 200 M CB -0.616 31.859 32.600 -0.209 0.000 1.361 200 M HN 0.104 nan 8.290 nan 0.000 0.408 201 F N 0.509 120.249 119.950 -0.349 0.000 2.146 201 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 201 F C 2.378 178.069 175.800 -0.180 0.000 1.096 201 F CA 2.050 59.877 58.000 -0.288 0.000 1.275 201 F CB -0.466 38.347 39.000 -0.312 0.000 1.008 201 F HN 0.290 nan 8.300 nan 0.000 0.480 202 E N 0.372 120.518 120.200 -0.091 0.000 2.110 202 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 202 E C 2.382 178.674 176.600 -0.513 0.000 0.988 202 E CA 1.295 57.543 56.400 -0.253 0.000 0.804 202 E CB -0.741 28.886 29.700 -0.122 0.000 0.745 202 E HN 0.495 nan 8.360 nan 0.000 0.458 203 G N 1.324 109.866 108.800 -0.431 0.000 2.418 203 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 203 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 203 G C 1.766 176.358 174.900 -0.513 0.000 1.158 203 G CA 0.853 45.650 45.100 -0.505 0.000 0.771 203 G HN 0.272 nan 8.290 nan 0.000 0.545 204 I N 1.302 121.547 120.570 -0.541 0.000 2.252 204 I HA -0.096 4.074 4.170 -0.000 0.000 0.245 204 I C 3.241 179.157 176.117 -0.334 0.000 1.102 204 I CA 0.958 61.944 61.300 -0.524 0.000 1.385 204 I CB -0.108 37.423 38.000 -0.782 0.000 1.064 204 I HN 0.229 nan 8.210 nan 0.000 0.414 205 A N 0.983 123.501 122.820 -0.504 0.000 1.902 205 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 205 A C 2.455 179.963 177.584 -0.127 0.000 1.181 205 A CA 1.847 53.761 52.037 -0.204 0.000 0.623 205 A CB -0.643 18.157 19.000 -0.333 0.000 0.818 205 A HN 0.434 nan 8.150 nan 0.000 0.443 206 R N -1.954 118.152 120.500 -0.657 0.000 2.075 206 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 206 R C 2.088 178.278 176.300 -0.183 0.000 1.126 206 R CA 1.845 57.500 56.100 -0.742 0.000 0.963 206 R CB -0.658 29.085 30.300 -0.929 0.000 0.858 206 R HN 0.558 nan 8.270 nan 0.000 0.435 207 Y N 0.526 120.619 120.300 -0.346 0.000 2.114 207 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 207 Y C 1.725 177.448 175.900 -0.294 0.000 1.143 207 Y CA 2.099 59.993 58.100 -0.343 0.000 1.135 207 Y CB -0.322 37.833 38.460 -0.507 0.000 0.980 207 Y HN 0.004 nan 8.280 nan 0.000 0.499 208 F N -0.126 119.940 119.950 0.193 0.000 2.146 208 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 208 F C 2.712 178.561 175.800 0.082 0.000 1.096 208 F CA 1.982 60.060 58.000 0.130 0.000 1.275 208 F CB -0.983 38.067 39.000 0.084 0.000 1.008 208 F HN 0.173 nan 8.300 nan 0.000 0.480 209 T N -2.631 112.126 114.554 0.339 0.000 3.044 209 T HA 0.039 4.389 4.350 -0.000 0.000 0.250 209 T C 1.790 176.676 174.700 0.311 0.000 1.081 209 T CA 0.240 62.530 62.100 0.317 0.000 1.040 209 T CB -0.352 68.829 68.868 0.521 0.000 0.962 209 T HN 0.096 nan 8.240 nan 0.000 0.506 210 L N 1.315 122.702 121.223 0.274 0.000 2.056 210 L HA 0.223 4.563 4.340 -0.000 0.000 0.207 210 L C 2.389 179.319 176.870 0.100 0.000 1.078 210 L CA 1.694 56.666 54.840 0.219 0.000 0.749 210 L CB -0.543 41.614 42.059 0.163 0.000 0.901 210 L HN 0.131 nan 8.230 nan 0.000 0.433 211 K N -0.592 119.823 120.400 0.026 0.000 2.057 211 K HA 0.004 4.324 4.320 -0.000 0.000 0.206 211 K C 0.594 177.203 176.600 0.014 0.000 1.050 211 K CA 1.173 57.457 56.287 -0.005 0.000 0.935 211 K CB -0.193 32.271 32.500 -0.059 0.000 0.715 211 K HN 0.477 nan 8.250 nan 0.000 0.439 212 S N 0.250 115.964 115.700 0.024 0.000 2.461 212 S HA 0.355 4.825 4.470 -0.000 0.000 0.322 212 S C 0.371 174.987 174.600 0.026 0.000 1.063 212 S CA -0.713 57.498 58.200 0.019 0.000 1.120 212 S CB 1.341 64.546 63.200 0.008 0.000 0.968 212 S HN -0.020 nan 8.310 nan 0.000 0.467 213 M N 1.581 121.197 119.600 0.026 0.000 2.296 213 M HA 0.205 4.685 4.480 -0.000 0.000 0.291 213 M C 0.480 176.786 176.300 0.009 0.000 1.013 213 M CA 0.303 55.617 55.300 0.023 0.000 1.089 213 M CB -0.921 31.709 32.600 0.051 0.000 1.677 213 M HN 0.560 nan 8.290 nan 0.000 0.584 214 D N 1.772 122.177 120.400 0.008 0.000 2.117 214 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 214 D C 1.677 177.976 176.300 -0.002 0.000 0.982 214 D CA 1.812 55.814 54.000 0.004 0.000 0.828 214 D CB 0.167 40.970 40.800 0.004 0.000 0.967 214 D HN 0.441 nan 8.370 nan 0.000 0.464 215 D N 0.751 121.148 120.400 -0.006 0.000 2.117 215 D HA -0.134 4.505 4.640 -0.000 0.000 0.198 215 D C 0.247 176.536 176.300 -0.018 0.000 0.982 215 D CA 0.711 54.704 54.000 -0.011 0.000 0.828 215 D CB -0.219 40.574 40.800 -0.013 0.000 0.967 215 D HN 0.020 nan 8.370 nan 0.000 0.464 216 K N 1.158 121.542 120.400 -0.026 0.000 2.451 216 K HA 0.259 4.579 4.320 -0.000 0.000 0.280 216 K C -0.103 176.487 176.600 -0.017 0.000 1.020 216 K CA -0.206 56.057 56.287 -0.039 0.000 1.008 216 K CB 1.743 34.196 32.500 -0.079 0.000 0.917 216 K HN 0.051 nan 8.250 nan 0.000 0.478 217 V N 2.904 122.811 119.914 -0.012 0.000 2.577 217 V HA 0.132 4.252 4.120 -0.000 0.000 0.303 217 V C 0.148 176.251 176.094 0.015 0.000 1.042 217 V CA -1.246 61.056 62.300 0.004 0.000 0.872 217 V CB 2.014 33.835 31.823 -0.003 0.000 0.998 217 V HN 0.464 nan 8.190 nan 0.000 0.423 218 V N 4.370 124.309 119.914 0.041 0.000 2.599 218 V HA 0.371 4.491 4.120 -0.000 0.000 0.300 218 V C 1.549 177.633 176.094 -0.016 0.000 1.034 218 V CA 1.786 64.114 62.300 0.046 0.000 1.115 218 V CB 0.519 32.386 31.823 0.073 0.000 0.934 218 V HN 1.390 nan 8.190 nan 0.000 0.485 219 G N 3.923 112.691 108.800 -0.054 0.000 2.184 219 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.264 219 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.264 219 G C 1.122 175.999 174.900 -0.038 0.000 0.975 219 G CA 1.123 46.186 45.100 -0.061 0.000 0.642 219 G HN 1.126 nan 8.290 nan 0.000 0.536 220 S N 1.086 116.770 115.700 -0.028 0.000 2.368 220 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 220 S C 1.968 176.551 174.600 -0.028 0.000 1.029 220 S CA 1.780 59.965 58.200 -0.025 0.000 0.988 220 S CB -0.452 62.735 63.200 -0.022 0.000 0.838 220 S HN 1.195 nan 8.310 nan 0.000 0.462 221 N N 1.551 120.232 118.700 -0.032 0.000 2.463 221 N HA -0.061 4.678 4.740 -0.000 0.000 0.181 221 N C 0.001 175.492 175.510 -0.031 0.000 1.078 221 N CA 0.642 53.672 53.050 -0.033 0.000 0.902 221 N CB -0.822 37.642 38.487 -0.038 0.000 0.970 221 N HN 0.518 nan 8.380 nan 0.000 0.451 222 K N -1.001 119.381 120.400 -0.031 0.000 3.077 222 K HA -0.247 4.073 4.320 -0.000 0.000 0.264 222 K C -0.962 175.627 176.600 -0.017 0.000 1.008 222 K CA 0.969 57.240 56.287 -0.028 0.000 0.740 222 K CB -2.176 30.310 32.500 -0.024 0.000 1.273 222 K HN 0.466 nan 8.250 nan 0.000 0.477 223 K N 0.128 120.521 120.400 -0.011 0.000 2.443 223 K HA 0.608 4.928 4.320 -0.000 0.000 0.251 223 K C -0.372 176.249 176.600 0.034 0.000 0.972 223 K CA -1.025 55.272 56.287 0.017 0.000 0.833 223 K CB 1.974 34.477 32.500 0.004 0.000 1.317 223 K HN 0.032 nan 8.250 nan 0.000 0.441 224 I N 2.343 122.964 120.570 0.084 0.000 2.362 224 I HA 0.200 4.370 4.170 -0.000 0.000 0.289 224 I C -0.546 175.667 176.117 0.161 0.000 0.994 224 I CA -1.014 60.338 61.300 0.087 0.000 1.158 224 I CB 1.413 39.446 38.000 0.054 0.000 1.315 224 I HN 0.400 nan 8.210 nan 0.000 0.451 225 N N 7.223 126.038 118.700 0.191 0.000 2.497 225 N HA 0.332 5.072 4.740 -0.000 0.000 0.271 225 N C -0.620 175.030 175.510 0.233 0.000 1.142 225 N CA -0.095 53.108 53.050 0.256 0.000 0.965 225 N CB 1.390 40.100 38.487 0.371 0.000 1.077 225 N HN 0.349 nan 8.380 nan 0.000 0.462 226 I N 2.136 122.840 120.570 0.224 0.000 2.389 226 I HA 0.281 4.451 4.170 -0.000 0.000 0.288 226 I C -0.215 175.985 176.117 0.139 0.000 0.999 226 I CA -0.790 60.611 61.300 0.168 0.000 1.129 226 I CB 1.335 39.423 38.000 0.147 0.000 1.288 226 I HN 0.019 nan 8.210 nan 0.000 0.444 227 V N 9.075 129.022 119.914 0.055 0.000 2.334 227 V HA 0.266 4.385 4.120 -0.000 0.000 0.281 227 V C -1.187 174.839 176.094 -0.114 0.000 1.016 227 V CA -1.092 61.178 62.300 -0.049 0.000 0.832 227 V CB 1.819 33.503 31.823 -0.232 0.000 0.999 227 V HN 0.573 nan 8.190 nan 0.000 0.439 228 P HA -0.003 nan 4.420 nan 0.000 0.217 228 P C 0.804 177.837 177.300 -0.444 0.000 1.150 228 P CA 1.779 64.767 63.100 -0.187 0.000 0.832 228 P CB 0.518 32.233 31.700 0.026 0.000 0.787 229 G N 0.311 108.578 108.800 -0.888 0.000 2.615 229 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 229 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 229 G C -1.048 172.949 174.900 -1.505 0.000 1.339 229 G CA -0.337 43.975 45.100 -1.313 0.000 0.884 229 G HN 0.332 nan 8.290 nan 0.000 0.559 230 F N 2.020 121.434 119.950 -0.893 0.000 2.438 230 F HA 0.645 5.172 4.527 -0.000 0.000 0.360 230 F C 0.249 175.836 175.800 -0.356 0.000 1.118 230 F CA -0.038 57.507 58.000 -0.758 0.000 1.164 230 F CB 1.136 39.858 39.000 -0.464 0.000 1.131 230 F HN 0.681 nan 8.300 nan 0.000 0.527 231 E N 3.298 123.234 120.200 -0.440 0.000 2.246 231 E HA 0.259 4.609 4.350 -0.000 0.000 0.266 231 E C -0.133 176.305 176.600 -0.270 0.000 0.880 231 E CA -0.442 55.758 56.400 -0.333 0.000 0.762 231 E CB 1.519 30.927 29.700 -0.487 0.000 1.180 231 E HN 0.529 nan 8.360 nan 0.000 0.416 232 T N 1.304 115.683 114.554 -0.291 0.000 3.134 232 T HA 0.274 4.623 4.350 -0.000 0.000 0.260 232 T C -0.355 174.406 174.700 0.102 0.000 1.027 232 T CA -0.088 61.938 62.100 -0.122 0.000 0.913 232 T CB -0.234 68.214 68.868 -0.699 0.000 1.046 232 T HN 0.261 nan 8.240 nan 0.000 0.553 233 Y N 1.079 121.486 120.300 0.178 0.000 2.328 233 Y HA 0.544 5.094 4.550 -0.000 0.000 0.336 233 Y C 1.081 177.081 175.900 0.167 0.000 0.960 233 Y CA -2.187 56.015 58.100 0.170 0.000 1.134 233 Y CB 1.514 39.998 38.460 0.041 0.000 1.166 233 Y HN -0.042 nan 8.280 nan 0.000 0.464 234 L N 2.013 123.487 121.223 0.417 0.000 2.056 234 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 234 L C 2.279 179.295 176.870 0.242 0.000 1.078 234 L CA 1.444 56.507 54.840 0.371 0.000 0.749 234 L CB -0.610 41.586 42.059 0.229 0.000 0.901 234 L HN 0.936 nan 8.230 nan 0.000 0.433 235 G N 0.279 109.159 108.800 0.133 0.000 2.475 235 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.220 235 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.220 235 G C 1.398 176.295 174.900 -0.004 0.000 1.125 235 G CA 0.855 45.975 45.100 0.035 0.000 0.755 235 G HN 0.336 nan 8.290 nan 0.000 0.565 236 N N 0.333 119.013 118.700 -0.032 0.000 2.142 236 N HA -0.044 4.696 4.740 -0.000 0.000 0.186 236 N C 1.855 177.261 175.510 -0.172 0.000 1.023 236 N CA 0.784 53.737 53.050 -0.161 0.000 0.852 236 N CB -0.474 37.868 38.487 -0.241 0.000 0.998 236 N HN 0.340 nan 8.380 nan 0.000 0.424 237 F N 1.554 121.493 119.950 -0.019 0.000 2.146 237 F HA -0.000 4.526 4.527 -0.000 0.000 0.298 237 F C 2.423 178.199 175.800 -0.040 0.000 1.096 237 F CA 0.940 58.921 58.000 -0.032 0.000 1.275 237 F CB -0.276 38.714 39.000 -0.016 0.000 1.008 237 F HN -0.054 nan 8.300 nan 0.000 0.480 238 R N -0.411 120.194 120.500 0.173 0.000 2.081 238 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 238 R C 2.293 178.600 176.300 0.011 0.000 1.131 238 R CA 1.308 57.457 56.100 0.081 0.000 0.960 238 R CB -1.001 29.340 30.300 0.067 0.000 0.856 238 R HN 0.211 nan 8.270 nan 0.000 0.436 239 V N 1.233 121.129 119.914 -0.030 0.000 2.427 239 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 239 V C 1.999 178.026 176.094 -0.112 0.000 1.051 239 V CA 1.488 63.742 62.300 -0.077 0.000 1.048 239 V CB -0.226 31.528 31.823 -0.115 0.000 0.666 239 V HN 0.232 nan 8.190 nan 0.000 0.456 240 I N 0.091 120.579 120.570 -0.137 0.000 2.226 240 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 240 I C 2.473 178.473 176.117 -0.195 0.000 1.100 240 I CA 1.729 62.925 61.300 -0.172 0.000 1.374 240 I CB -1.213 36.682 38.000 -0.175 0.000 1.057 240 I HN 0.375 nan 8.210 nan 0.000 0.413 241 K N -0.130 120.160 120.400 -0.184 0.000 2.057 241 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 241 K C 2.275 178.783 176.600 -0.154 0.000 1.050 241 K CA 0.764 56.877 56.287 -0.291 0.000 0.935 241 K CB -0.126 32.360 32.500 -0.024 0.000 0.715 241 K HN 0.128 nan 8.250 nan 0.000 0.439 242 R N 1.263 121.729 120.500 -0.056 0.000 2.081 242 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 242 R C 2.091 178.382 176.300 -0.015 0.000 1.131 242 R CA 1.597 57.690 56.100 -0.011 0.000 0.960 242 R CB -0.207 30.090 30.300 -0.006 0.000 0.856 242 R HN 0.235 nan 8.270 nan 0.000 0.436 243 M N 0.385 119.962 119.600 -0.038 0.000 2.132 243 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 243 M C 2.395 178.694 176.300 -0.003 0.000 1.065 243 M CA 1.452 56.748 55.300 -0.007 0.000 1.122 243 M CB -0.301 32.299 32.600 -0.000 0.000 1.365 243 M HN 0.090 nan 8.290 nan 0.000 0.411 244 L N -0.714 120.469 121.223 -0.065 0.000 2.046 244 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 244 L C 2.651 179.553 176.870 0.054 0.000 1.077 244 L CA 1.046 55.850 54.840 -0.059 0.000 0.747 244 L CB -0.792 41.094 42.059 -0.289 0.000 0.896 244 L HN 0.255 nan 8.230 nan 0.000 0.432 245 S N -0.560 115.187 115.700 0.079 0.000 2.368 245 S HA -0.249 4.221 4.470 -0.000 0.000 0.225 245 S C 1.920 176.571 174.600 0.086 0.000 1.030 245 S CA 1.549 59.841 58.200 0.153 0.000 0.999 245 S CB -0.169 63.122 63.200 0.152 0.000 0.844 245 S HN 0.416 nan 8.310 nan 0.000 0.459 246 E N 0.545 120.778 120.200 0.055 0.000 2.077 246 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 246 E C 1.921 178.547 176.600 0.043 0.000 0.989 246 E CA 0.966 57.392 56.400 0.045 0.000 0.800 246 E CB -0.099 29.625 29.700 0.040 0.000 0.746 246 E HN 0.425 nan 8.360 nan 0.000 0.452 247 M N -1.157 118.468 119.600 0.042 0.000 2.562 247 M HA 0.028 4.508 4.480 -0.000 0.000 0.257 247 M C 1.192 177.514 176.300 0.037 0.000 1.099 247 M CA 0.999 56.319 55.300 0.033 0.000 1.099 247 M CB 0.531 33.143 32.600 0.020 0.000 1.427 247 M HN 0.431 nan 8.290 nan 0.000 0.489 248 G N 0.304 109.137 108.800 0.055 0.000 2.179 248 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 248 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 248 G C 0.063 175.001 174.900 0.063 0.000 0.977 248 G CA 0.110 45.243 45.100 0.055 0.000 0.641 248 G HN 0.332 nan 8.290 nan 0.000 0.533 249 V N 1.288 121.250 119.914 0.081 0.000 2.555 249 V HA 0.569 4.689 4.120 -0.000 0.000 0.286 249 V C 1.460 177.657 176.094 0.173 0.000 1.044 249 V CA 0.086 62.440 62.300 0.090 0.000 1.026 249 V CB 1.140 33.001 31.823 0.064 0.000 0.981 249 V HN 0.728 nan 8.190 nan 0.000 0.480 250 G N 4.130 112.992 108.800 0.103 0.000 2.467 250 G HA2 0.497 4.457 3.960 -0.000 0.000 0.257 250 G HA3 0.497 4.457 3.960 -0.000 0.000 0.257 250 G C -0.938 174.052 174.900 0.150 0.000 1.227 250 G CA -0.098 45.038 45.100 0.061 0.000 0.835 250 G HN 0.978 nan 8.290 nan 0.000 0.556 251 Y N -1.590 118.720 120.300 0.016 0.000 2.624 251 Y HA 0.749 5.299 4.550 -0.000 0.000 0.334 251 Y C -0.637 175.286 175.900 0.039 0.000 1.155 251 Y CA -1.516 56.603 58.100 0.032 0.000 1.046 251 Y CB 1.286 39.775 38.460 0.047 0.000 1.316 251 Y HN 0.476 nan 8.280 nan 0.000 0.457 252 S N 2.163 117.997 115.700 0.223 0.000 2.659 252 S HA 0.547 5.017 4.470 -0.000 0.000 0.312 252 S C -1.805 172.957 174.600 0.269 0.000 1.114 252 S CA -0.555 57.733 58.200 0.147 0.000 1.063 252 S CB 0.792 64.049 63.200 0.095 0.000 0.996 252 S HN 0.705 nan 8.310 nan 0.000 0.478 253 L N 6.684 128.072 121.223 0.275 0.000 2.257 253 L HA 0.558 4.898 4.340 -0.000 0.000 0.290 253 L C -1.043 175.924 176.870 0.162 0.000 1.044 253 L CA -0.176 54.810 54.840 0.242 0.000 0.810 253 L CB 0.430 42.638 42.059 0.248 0.000 1.193 253 L HN 0.584 nan 8.230 nan 0.000 0.425 254 L N 5.323 126.680 121.223 0.223 0.000 2.281 254 L HA 0.372 4.712 4.340 -0.000 0.000 0.285 254 L C 0.815 177.793 176.870 0.179 0.000 1.074 254 L CA -0.528 54.474 54.840 0.270 0.000 0.817 254 L CB 0.935 43.353 42.059 0.598 0.000 1.168 254 L HN 0.889 nan 8.230 nan 0.000 0.434 255 S N 1.919 117.439 115.700 -0.300 0.000 4.012 255 S HA -0.177 4.293 4.470 -0.000 0.000 0.494 255 S C -0.453 174.063 174.600 -0.140 0.000 0.810 255 S CA 0.190 58.150 58.200 -0.399 0.000 1.309 255 S CB -0.895 62.448 63.200 0.238 0.000 0.822 255 S HN 0.920 nan 8.310 nan 0.000 0.644 256 D N 3.106 123.325 120.400 -0.302 0.000 2.427 256 D HA 0.521 5.161 4.640 -0.000 0.000 0.226 256 D C -1.031 174.974 176.300 -0.492 0.000 1.076 256 D CA -1.956 51.820 54.000 -0.373 0.000 0.849 256 D CB 1.142 41.804 40.800 -0.229 0.000 1.052 256 D HN 0.209 nan 8.370 nan 0.000 0.515 257 P HA 0.061 nan 4.420 nan 0.000 0.266 257 P C 0.465 177.426 177.300 -0.565 0.000 1.381 257 P CA 0.120 62.909 63.100 -0.518 0.000 0.940 257 P CB 0.326 31.781 31.700 -0.407 0.000 1.435 258 E N 0.324 120.111 120.200 -0.689 0.000 2.106 258 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 258 E C 1.690 178.168 176.600 -0.203 0.000 0.984 258 E CA 1.071 57.233 56.400 -0.397 0.000 0.806 258 E CB -0.645 28.877 29.700 -0.298 0.000 0.750 258 E HN -0.032 nan 8.360 nan 0.000 0.458 259 E N 0.668 120.762 120.200 -0.177 0.000 2.072 259 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 259 E C 2.242 178.789 176.600 -0.089 0.000 0.985 259 E CA 1.037 57.377 56.400 -0.100 0.000 0.801 259 E CB -0.462 29.190 29.700 -0.079 0.000 0.750 259 E HN 0.253 nan 8.360 nan 0.000 0.452 260 V N 0.947 120.791 119.914 -0.117 0.000 2.427 260 V HA -0.164 3.955 4.120 -0.000 0.000 0.248 260 V C 2.204 178.231 176.094 -0.111 0.000 1.051 260 V CA 1.141 63.386 62.300 -0.091 0.000 1.048 260 V CB -0.188 31.587 31.823 -0.080 0.000 0.666 260 V HN 0.200 nan 8.190 nan 0.000 0.456 261 L N -0.489 120.614 121.223 -0.200 0.000 2.478 261 L HA 0.037 4.377 4.340 -0.000 0.000 0.223 261 L C 1.112 177.940 176.870 -0.071 0.000 1.140 261 L CA 1.085 55.769 54.840 -0.260 0.000 0.842 261 L CB -0.163 41.549 42.059 -0.579 0.000 0.953 261 L HN 0.342 nan 8.230 nan 0.000 0.452 262 D N -0.609 119.771 120.400 -0.034 0.000 2.696 262 D HA 0.039 4.679 4.640 -0.000 0.000 0.269 262 D C 0.388 176.706 176.300 0.030 0.000 1.319 262 D CA -0.089 53.932 54.000 0.035 0.000 0.826 262 D CB 0.389 41.210 40.800 0.036 0.000 1.086 262 D HN 0.034 nan 8.370 nan 0.000 0.481 263 T N -0.236 114.335 114.554 0.027 0.000 2.916 263 T HA 0.318 4.668 4.350 -0.000 0.000 0.303 263 T C -1.891 172.838 174.700 0.050 0.000 1.025 263 T CA -1.218 60.902 62.100 0.032 0.000 1.142 263 T CB 1.133 70.023 68.868 0.036 0.000 0.947 263 T HN 0.009 nan 8.240 nan 0.000 0.544 264 P HA 0.326 nan 4.420 nan 0.000 0.271 264 P C -0.876 176.455 177.300 0.051 0.000 1.218 264 P CA -0.590 62.534 63.100 0.040 0.000 0.780 264 P CB 0.593 32.309 31.700 0.027 0.000 0.901 265 A N 2.623 125.473 122.820 0.049 0.000 2.478 265 A HA 0.330 4.650 4.320 -0.000 0.000 0.327 265 A C 0.366 177.976 177.584 0.043 0.000 1.431 265 A CA -0.440 51.630 52.037 0.054 0.000 1.014 265 A CB -0.433 18.599 19.000 0.052 0.000 1.143 265 A HN 0.590 nan 8.150 nan 0.000 0.532 266 D N 1.330 121.756 120.400 0.044 0.000 2.571 266 D HA 0.316 4.956 4.640 -0.000 0.000 0.239 266 D C 0.930 177.253 176.300 0.038 0.000 1.267 266 D CA 0.395 54.416 54.000 0.035 0.000 0.823 266 D CB -0.172 40.645 40.800 0.029 0.000 1.056 266 D HN 1.034 nan 8.370 nan 0.000 0.494 267 G N 0.815 109.642 108.800 0.046 0.000 2.217 267 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 267 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 267 G C 0.021 174.958 174.900 0.062 0.000 0.990 267 G CA 0.321 45.449 45.100 0.048 0.000 0.627 267 G HN 0.727 nan 8.290 nan 0.000 0.522 268 Q N -0.615 119.227 119.800 0.071 0.000 2.337 268 Q HA 0.711 5.051 4.340 -0.000 0.000 0.270 268 Q C -0.746 175.335 176.000 0.135 0.000 1.043 268 Q CA -1.389 54.465 55.803 0.085 0.000 0.794 268 Q CB 2.064 30.829 28.738 0.047 0.000 1.281 268 Q HN 0.551 nan 8.270 nan 0.000 0.446 269 F N 3.132 123.085 119.950 0.006 0.000 2.445 269 F HA 0.409 4.936 4.527 -0.000 0.000 0.359 269 F C -0.792 175.000 175.800 -0.013 0.000 1.101 269 F CA -0.731 57.267 58.000 -0.003 0.000 1.177 269 F CB 0.836 39.834 39.000 -0.004 0.000 1.110 269 F HN 0.561 nan 8.300 nan 0.000 0.522 270 R N 7.555 127.825 120.500 -0.384 0.000 2.246 270 R HA 0.260 4.600 4.340 -0.000 0.000 0.332 270 R C 0.995 176.825 176.300 -0.785 0.000 0.974 270 R CA -0.547 55.231 56.100 -0.535 0.000 0.837 270 R CB 1.550 31.740 30.300 -0.184 0.000 1.145 270 R HN 0.907 nan 8.270 nan 0.000 0.467 271 M N 2.042 121.013 119.600 -1.049 0.000 2.132 271 M HA -0.038 4.442 4.480 -0.000 0.000 0.263 271 M C -0.475 175.486 176.300 -0.564 0.000 1.065 271 M CA 1.777 56.550 55.300 -0.877 0.000 1.122 271 M CB 0.419 32.438 32.600 -0.969 0.000 1.365 271 M HN 0.436 nan 8.290 nan 0.000 0.411 272 Y N -0.365 119.842 120.300 -0.156 0.000 2.376 272 Y HA 0.676 5.226 4.550 -0.000 0.000 0.340 272 Y C -0.415 175.434 175.900 -0.085 0.000 0.965 272 Y CA -1.499 56.550 58.100 -0.085 0.000 1.078 272 Y CB 1.261 39.694 38.460 -0.045 0.000 1.193 272 Y HN 0.043 nan 8.280 nan 0.000 0.452 273 A N 1.723 124.592 122.820 0.081 0.000 2.455 273 A HA 0.777 5.097 4.320 -0.000 0.000 0.300 273 A C 0.445 178.020 177.584 -0.016 0.000 1.040 273 A CA -0.208 51.837 52.037 0.014 0.000 0.697 273 A CB 0.833 19.822 19.000 -0.018 0.000 1.265 273 A HN 1.442 nan 8.150 nan 0.000 0.407 274 G N 1.416 110.200 108.800 -0.027 0.000 2.611 274 G HA2 0.410 4.370 3.960 -0.000 0.000 0.301 274 G HA3 0.410 4.370 3.960 -0.000 0.000 0.301 274 G C 1.580 176.438 174.900 -0.069 0.000 1.233 274 G CA 1.297 46.365 45.100 -0.053 0.000 0.993 274 G HN 3.199 nan 8.290 nan 0.000 0.553 275 G N -3.421 105.312 108.800 -0.111 0.000 2.707 275 G HA2 0.353 4.313 3.960 -0.000 0.000 0.686 275 G HA3 0.353 4.313 3.960 -0.000 0.000 0.686 275 G C -0.128 174.680 174.900 -0.153 0.000 1.315 275 G CA 0.425 45.435 45.100 -0.150 0.000 0.832 275 G HN 1.867 nan 8.290 nan 0.000 0.573 276 T N 1.612 116.018 114.554 -0.247 0.000 2.851 276 T HA 0.540 4.890 4.350 -0.000 0.000 0.298 276 T C 1.344 176.007 174.700 -0.063 0.000 0.977 276 T CA 0.823 62.806 62.100 -0.195 0.000 1.126 276 T CB 0.540 69.177 68.868 -0.384 0.000 0.916 276 T HN 1.420 nan 8.240 nan 0.000 0.529 277 T N 2.181 116.698 114.554 -0.062 0.000 2.868 277 T HA 0.177 4.527 4.350 -0.000 0.000 0.292 277 T C 1.328 175.946 174.700 -0.137 0.000 1.028 277 T CA -0.568 61.484 62.100 -0.079 0.000 1.059 277 T CB 0.877 69.695 68.868 -0.084 0.000 0.991 277 T HN 0.603 nan 8.240 nan 0.000 0.531 278 Q N 0.146 119.812 119.800 -0.223 0.000 2.079 278 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 278 Q C 2.296 178.056 176.000 -0.401 0.000 0.974 278 Q CA 1.219 56.717 55.803 -0.509 0.000 0.840 278 Q CB -0.019 28.493 28.738 -0.377 0.000 0.898 278 Q HN 0.689 nan 8.270 nan 0.000 0.430 279 E N 0.946 121.027 120.200 -0.198 0.000 2.110 279 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 279 E C 1.718 178.244 176.600 -0.123 0.000 0.988 279 E CA 0.966 57.288 56.400 -0.129 0.000 0.804 279 E CB 0.005 29.656 29.700 -0.081 0.000 0.745 279 E HN 0.417 nan 8.360 nan 0.000 0.458 280 E N -0.299 119.833 120.200 -0.114 0.000 2.077 280 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 280 E C 1.998 178.558 176.600 -0.066 0.000 0.989 280 E CA 0.810 57.167 56.400 -0.072 0.000 0.800 280 E CB 0.004 29.677 29.700 -0.044 0.000 0.746 280 E HN 0.128 nan 8.360 nan 0.000 0.452 281 M N 0.722 120.254 119.600 -0.113 0.000 2.132 281 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 281 M C 1.881 178.125 176.300 -0.092 0.000 1.065 281 M CA 1.584 56.831 55.300 -0.089 0.000 1.122 281 M CB -0.502 31.923 32.600 -0.292 0.000 1.365 281 M HN -0.019 nan 8.290 nan 0.000 0.411 282 K N -0.486 119.831 120.400 -0.138 0.000 2.057 282 K HA -0.165 4.154 4.320 -0.000 0.000 0.206 282 K C 1.381 177.923 176.600 -0.098 0.000 1.050 282 K CA 1.512 57.780 56.287 -0.031 0.000 0.935 282 K CB -0.325 32.178 32.500 0.006 0.000 0.715 282 K HN 0.214 nan 8.250 nan 0.000 0.439 283 D N 0.510 120.844 120.400 -0.110 0.000 2.363 283 D HA 0.027 4.667 4.640 -0.000 0.000 0.226 283 D C 1.443 177.639 176.300 -0.174 0.000 1.020 283 D CA 0.318 54.245 54.000 -0.121 0.000 0.892 283 D CB 0.185 40.935 40.800 -0.084 0.000 0.900 283 D HN 0.209 nan 8.370 nan 0.000 0.531 284 A N 0.971 123.637 122.820 -0.258 0.000 1.902 284 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 284 A C -0.115 177.142 177.584 -0.546 0.000 1.181 284 A CA 0.935 52.757 52.037 -0.359 0.000 0.623 284 A CB -1.424 17.323 19.000 -0.422 0.000 0.818 284 A HN 0.261 nan 8.150 nan 0.000 0.443 285 P HA -0.092 nan 4.420 nan 0.000 0.221 285 P C 0.654 177.904 177.300 -0.083 0.000 1.145 285 P CA 0.879 63.521 63.100 -0.763 0.000 0.795 285 P CB -0.132 31.050 31.700 -0.863 0.000 0.775 286 N N -0.614 118.023 118.700 -0.105 0.000 2.521 286 N HA 0.032 4.772 4.740 -0.000 0.000 0.188 286 N C 0.717 176.223 175.510 -0.005 0.000 1.146 286 N CA 0.209 53.241 53.050 -0.029 0.000 0.893 286 N CB -0.240 38.212 38.487 -0.057 0.000 0.975 286 N HN 0.113 nan 8.380 nan 0.000 0.451 287 A N 0.190 123.032 122.820 0.036 0.000 2.332 287 A HA 0.310 4.630 4.320 -0.000 0.000 0.258 287 A C 1.512 178.978 177.584 -0.197 0.000 1.087 287 A CA -0.420 51.606 52.037 -0.019 0.000 0.802 287 A CB 0.462 19.511 19.000 0.083 0.000 1.042 287 A HN 0.136 nan 8.150 nan 0.000 0.489 288 L N 0.125 121.245 121.223 -0.171 0.000 2.056 288 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 288 L C 0.984 177.649 176.870 -0.343 0.000 1.078 288 L CA 1.038 55.760 54.840 -0.197 0.000 0.749 288 L CB -0.388 41.605 42.059 -0.109 0.000 0.901 288 L HN 0.764 nan 8.230 nan 0.000 0.433 289 N N -2.015 116.499 118.700 -0.310 0.000 2.823 289 N HA 0.253 4.993 4.740 -0.000 0.000 0.251 289 N C -1.446 174.075 175.510 0.018 0.000 1.392 289 N CA -0.344 52.551 53.050 -0.258 0.000 0.864 289 N CB 2.163 40.586 38.487 -0.106 0.000 1.481 289 N HN -0.306 nan 8.380 nan 0.000 0.508 290 T N 0.581 115.274 114.554 0.232 0.000 2.786 290 T HA 0.493 4.843 4.350 -0.000 0.000 0.283 290 T C -0.537 174.266 174.700 0.171 0.000 0.992 290 T CA -0.361 61.929 62.100 0.317 0.000 0.954 290 T CB 1.065 70.234 68.868 0.501 0.000 0.934 290 T HN 0.165 nan 8.240 nan 0.000 0.440 291 V N 5.355 125.349 119.914 0.134 0.000 2.435 291 V HA 0.482 4.602 4.120 -0.000 0.000 0.290 291 V C -0.230 175.906 176.094 0.070 0.000 1.030 291 V CA -0.851 61.503 62.300 0.090 0.000 0.881 291 V CB 1.368 33.256 31.823 0.108 0.000 0.983 291 V HN 0.713 nan 8.190 nan 0.000 0.445 292 L N 5.446 126.675 121.223 0.011 0.000 2.287 292 L HA 0.434 4.774 4.340 -0.000 0.000 0.287 292 L C 0.962 177.778 176.870 -0.089 0.000 1.022 292 L CA -0.409 54.394 54.840 -0.062 0.000 0.814 292 L CB 1.465 43.462 42.059 -0.104 0.000 1.217 292 L HN 0.567 nan 8.230 nan 0.000 0.420 293 L N 1.950 123.101 121.223 -0.120 0.000 2.056 293 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 293 L C 0.666 177.436 176.870 -0.166 0.000 1.078 293 L CA 1.382 56.132 54.840 -0.149 0.000 0.749 293 L CB -0.115 41.831 42.059 -0.189 0.000 0.901 293 L HN 0.683 nan 8.230 nan 0.000 0.433 294 Q N 0.156 119.811 119.800 -0.242 0.000 2.523 294 Q HA 0.188 4.528 4.340 -0.000 0.000 0.251 294 Q C -1.801 173.998 176.000 -0.335 0.000 1.033 294 Q CA -1.632 54.033 55.803 -0.230 0.000 0.746 294 Q CB 1.600 30.179 28.738 -0.264 0.000 1.189 294 Q HN 0.033 nan 8.270 nan 0.000 0.508 295 P HA -0.157 nan 4.420 nan 0.000 0.221 295 P C 0.395 177.490 177.300 -0.341 0.000 1.150 295 P CA 0.960 63.876 63.100 -0.307 0.000 0.800 295 P CB 0.222 31.706 31.700 -0.359 0.000 0.787 296 W N 1.096 122.367 121.300 -0.049 0.000 2.388 296 W HA -0.116 4.544 4.660 -0.000 0.000 0.294 296 W C 2.644 179.181 176.519 0.029 0.000 1.212 296 W CA 1.351 58.718 57.345 0.038 0.000 1.271 296 W CB -1.016 28.521 29.460 0.130 0.000 1.126 296 W HN 0.237 nan 8.180 nan 0.000 0.535 297 H N -1.641 117.501 119.070 0.121 0.000 2.551 297 H HA 0.269 4.825 4.556 -0.000 0.000 0.271 297 H C 1.052 176.415 175.328 0.059 0.000 0.984 297 H CA 0.315 56.400 56.048 0.061 0.000 1.164 297 H CB -0.492 29.271 29.762 0.001 0.000 1.437 297 H HN 0.187 nan 8.280 nan 0.000 0.550 298 L N 1.485 122.621 121.223 -0.144 0.000 2.848 298 L HA 0.139 4.479 4.340 -0.000 0.000 0.240 298 L C 1.265 178.118 176.870 -0.028 0.000 1.232 298 L CA -0.069 54.725 54.840 -0.077 0.000 1.031 298 L CB 0.209 42.149 42.059 -0.198 0.000 1.338 298 L HN 0.200 nan 8.230 nan 0.000 0.509 299 E N 0.621 120.816 120.200 -0.008 0.000 2.077 299 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 299 E C 1.802 178.413 176.600 0.018 0.000 0.989 299 E CA 1.068 57.456 56.400 -0.019 0.000 0.800 299 E CB 0.153 29.851 29.700 -0.003 0.000 0.746 299 E HN 0.371 nan 8.360 nan 0.000 0.452 300 K N 0.549 120.984 120.400 0.059 0.000 2.057 300 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 300 K C 2.188 178.839 176.600 0.085 0.000 1.050 300 K CA 1.464 57.790 56.287 0.065 0.000 0.935 300 K CB 0.052 32.596 32.500 0.073 0.000 0.715 300 K HN -0.032 nan 8.250 nan 0.000 0.439 301 T N 0.969 115.597 114.554 0.123 0.000 2.821 301 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 301 T C 1.644 176.388 174.700 0.074 0.000 1.046 301 T CA 1.472 63.676 62.100 0.173 0.000 1.139 301 T CB -0.080 68.958 68.868 0.283 0.000 0.871 301 T HN 0.322 nan 8.240 nan 0.000 0.454 302 K N 1.098 121.510 120.400 0.019 0.000 2.057 302 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 302 K C 2.228 178.799 176.600 -0.048 0.000 1.049 302 K CA 1.226 57.494 56.287 -0.031 0.000 0.931 302 K CB -0.001 32.462 32.500 -0.062 0.000 0.714 302 K HN 0.140 nan 8.250 nan 0.000 0.440 303 K N -0.109 120.279 120.400 -0.021 0.000 2.057 303 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 303 K C 2.105 178.669 176.600 -0.059 0.000 1.049 303 K CA 1.473 57.743 56.287 -0.029 0.000 0.931 303 K CB -0.328 32.175 32.500 0.005 0.000 0.714 303 K HN 0.201 nan 8.250 nan 0.000 0.440 304 F N 1.677 121.528 119.950 -0.164 0.000 2.146 304 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 304 F C 2.048 177.582 175.800 -0.443 0.000 1.096 304 F CA 0.935 58.778 58.000 -0.262 0.000 1.275 304 F CB -0.281 38.547 39.000 -0.288 0.000 1.008 304 F HN -0.298 nan 8.300 nan 0.000 0.480 305 V N 0.726 120.309 119.914 -0.552 0.000 2.358 305 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 305 V C 2.301 178.155 176.094 -0.400 0.000 1.047 305 V CA 2.243 64.094 62.300 -0.748 0.000 1.035 305 V CB -0.591 31.014 31.823 -0.363 0.000 0.658 305 V HN 0.343 nan 8.190 nan 0.000 0.452 306 E N 0.260 120.330 120.200 -0.216 0.000 2.047 306 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 306 E C 2.307 178.820 176.600 -0.144 0.000 0.987 306 E CA 1.365 57.700 56.400 -0.109 0.000 0.799 306 E CB -0.479 29.181 29.700 -0.066 0.000 0.752 306 E HN 0.627 nan 8.360 nan 0.000 0.449 307 G N 0.882 109.561 108.800 -0.202 0.000 2.414 307 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 307 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 307 G C 1.667 176.431 174.900 -0.227 0.000 1.188 307 G CA 1.308 46.301 45.100 -0.178 0.000 0.783 307 G HN 0.173 nan 8.290 nan 0.000 0.537 308 T N -0.137 114.135 114.554 -0.471 0.000 2.851 308 T HA -0.056 4.294 4.350 -0.000 0.000 0.262 308 T C 1.865 176.490 174.700 -0.124 0.000 1.043 308 T CA 0.972 62.813 62.100 -0.432 0.000 1.140 308 T CB -0.145 68.176 68.868 -0.911 0.000 0.872 308 T HN 0.441 nan 8.240 nan 0.000 0.446 309 W N 1.142 122.181 121.300 -0.436 0.000 3.077 309 W HA 0.384 5.044 4.660 -0.000 0.000 0.266 309 W C 0.585 177.002 176.519 -0.170 0.000 1.300 309 W CA -0.647 56.489 57.345 -0.349 0.000 1.586 309 W CB -0.319 28.761 29.460 -0.633 0.000 1.103 309 W HN 0.095 nan 8.180 nan 0.000 0.652 310 K N -0.237 120.204 120.400 0.067 0.000 3.160 310 K HA -0.254 4.066 4.320 -0.000 0.000 0.280 310 K C -0.261 176.480 176.600 0.235 0.000 1.154 310 K CA 0.865 57.216 56.287 0.107 0.000 0.822 310 K CB -2.588 29.970 32.500 0.097 0.000 1.239 310 K HN 0.443 nan 8.250 nan 0.000 0.489 311 H N 0.835 119.965 119.070 0.100 0.000 2.582 311 H HA 0.186 4.741 4.556 -0.000 0.000 0.345 311 H C 0.226 175.580 175.328 0.043 0.000 1.104 311 H CA -0.457 55.649 56.048 0.097 0.000 1.390 311 H CB 0.790 30.656 29.762 0.172 0.000 1.461 311 H HN 0.072 nan 8.280 nan 0.000 0.551 312 E N 2.901 123.178 120.200 0.128 0.000 2.046 312 E HA 0.149 4.499 4.350 -0.000 0.000 0.279 312 E C -0.609 176.023 176.600 0.052 0.000 0.989 312 E CA -0.523 55.914 56.400 0.061 0.000 0.798 312 E CB 1.371 31.086 29.700 0.024 0.000 1.086 312 E HN 0.236 nan 8.360 nan 0.000 0.399 313 V N 6.179 126.123 119.914 0.050 0.000 2.521 313 V HA 0.087 4.207 4.120 -0.000 0.000 0.286 313 V C -1.460 174.628 176.094 -0.010 0.000 1.034 313 V CA -1.284 61.035 62.300 0.032 0.000 1.045 313 V CB 0.053 31.888 31.823 0.020 0.000 0.974 313 V HN 0.603 nan 8.190 nan 0.000 0.480 314 P HA 0.133 nan 4.420 nan 0.000 0.271 314 P C -0.676 176.590 177.300 -0.057 0.000 1.218 314 P CA -0.509 62.569 63.100 -0.037 0.000 0.780 314 P CB 0.803 32.478 31.700 -0.042 0.000 0.901 315 K N 3.726 124.087 120.400 -0.064 0.000 2.267 315 K HA 0.370 4.690 4.320 -0.000 0.000 0.282 315 K C -1.039 175.499 176.600 -0.103 0.000 1.078 315 K CA -0.363 55.867 56.287 -0.094 0.000 0.903 315 K CB -0.145 32.302 32.500 -0.088 0.000 1.111 315 K HN 0.487 nan 8.250 nan 0.000 0.475 316 L N 3.474 124.619 121.223 -0.130 0.000 2.422 316 L HA 0.358 4.698 4.340 -0.000 0.000 0.264 316 L C -0.625 176.095 176.870 -0.249 0.000 0.984 316 L CA -1.205 53.544 54.840 -0.152 0.000 0.819 316 L CB 2.290 44.321 42.059 -0.047 0.000 1.330 316 L HN 0.638 nan 8.230 nan 0.000 0.410 317 N N 1.084 119.504 118.700 -0.467 0.000 2.445 317 N HA 0.423 5.163 4.740 -0.000 0.000 0.264 317 N C -0.293 174.979 175.510 -0.397 0.000 1.227 317 N CA -0.643 51.987 53.050 -0.699 0.000 0.963 317 N CB 1.109 38.410 38.487 -1.978 0.000 1.188 317 N HN 0.512 nan 8.380 nan 0.000 0.491 318 I N 2.050 122.481 120.570 -0.231 0.000 2.683 318 I HA 0.039 4.209 4.170 -0.000 0.000 0.286 318 I C -1.852 174.270 176.117 0.008 0.000 1.175 318 I CA -1.425 59.834 61.300 -0.067 0.000 1.429 318 I CB 0.688 38.722 38.000 0.058 0.000 1.371 318 I HN 0.453 nan 8.210 nan 0.000 0.569 319 P HA 0.084 nan 4.420 nan 0.000 0.252 319 P C -0.970 176.281 177.300 -0.080 0.000 1.694 319 P CA 0.432 63.461 63.100 -0.118 0.000 1.163 319 P CB -0.085 31.304 31.700 -0.518 0.000 1.934 320 M N 1.780 121.444 119.600 0.108 0.000 2.326 320 M HA 0.570 5.050 4.480 -0.000 0.000 0.306 320 M C 0.396 176.650 176.300 -0.077 0.000 1.054 320 M CA 0.110 55.394 55.300 -0.027 0.000 0.922 320 M CB 2.708 35.320 32.600 0.020 0.000 1.632 320 M HN 0.437 nan 8.290 nan 0.000 0.436 321 G N 1.285 109.892 108.800 -0.321 0.000 2.712 321 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.683 321 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.683 321 G C -0.371 174.508 174.900 -0.035 0.000 1.320 321 G CA -0.427 44.512 45.100 -0.268 0.000 0.847 321 G HN 0.698 nan 8.290 nan 0.000 0.553 322 L N 0.009 121.296 121.223 0.107 0.000 2.027 322 L HA 0.125 4.465 4.340 -0.000 0.000 0.206 322 L C 2.443 179.417 176.870 0.173 0.000 1.074 322 L CA 3.047 57.993 54.840 0.176 0.000 0.745 322 L CB -0.782 41.362 42.059 0.142 0.000 0.898 322 L HN 0.650 nan 8.230 nan 0.000 0.433 323 D N -1.354 119.098 120.400 0.087 0.000 2.117 323 D HA -0.208 4.432 4.640 -0.000 0.000 0.198 323 D C 2.044 178.521 176.300 0.294 0.000 0.982 323 D CA 1.158 55.237 54.000 0.132 0.000 0.828 323 D CB -0.372 40.456 40.800 0.046 0.000 0.967 323 D HN 0.384 nan 8.370 nan 0.000 0.464 324 W N 1.369 122.705 121.300 0.060 0.000 2.388 324 W HA -0.035 4.625 4.660 -0.000 0.000 0.294 324 W C 2.410 178.950 176.519 0.035 0.000 1.212 324 W CA 0.742 58.112 57.345 0.042 0.000 1.271 324 W CB -1.363 28.105 29.460 0.014 0.000 1.126 324 W HN -0.036 nan 8.180 nan 0.000 0.535 325 T N -0.004 114.671 114.554 0.200 0.000 2.867 325 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 325 T C 1.217 175.987 174.700 0.117 0.000 1.057 325 T CA 1.656 63.769 62.100 0.021 0.000 1.136 325 T CB -0.229 68.469 68.868 -0.283 0.000 0.874 325 T HN -0.042 nan 8.240 nan 0.000 0.466 326 D N 1.105 121.633 120.400 0.213 0.000 2.117 326 D HA -0.049 4.590 4.640 -0.000 0.000 0.198 326 D C 2.200 178.601 176.300 0.168 0.000 0.982 326 D CA 0.985 55.116 54.000 0.220 0.000 0.828 326 D CB -0.170 40.752 40.800 0.204 0.000 0.967 326 D HN 0.470 nan 8.370 nan 0.000 0.464 327 E N -0.552 119.760 120.200 0.187 0.000 2.077 327 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 327 E C 1.872 178.541 176.600 0.115 0.000 0.989 327 E CA 0.464 56.950 56.400 0.144 0.000 0.800 327 E CB -0.135 29.666 29.700 0.169 0.000 0.746 327 E HN 0.246 nan 8.360 nan 0.000 0.452 328 F N 0.997 120.945 119.950 -0.002 0.000 2.146 328 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 328 F C 1.768 177.544 175.800 -0.040 0.000 1.096 328 F CA 1.159 59.134 58.000 -0.041 0.000 1.275 328 F CB -0.060 38.900 39.000 -0.068 0.000 1.008 328 F HN -0.083 nan 8.300 nan 0.000 0.480 329 L N -0.290 120.951 121.223 0.031 0.000 2.056 329 L HA -0.233 4.107 4.340 -0.000 0.000 0.207 329 L C 2.580 179.388 176.870 -0.104 0.000 1.078 329 L CA 1.524 56.323 54.840 -0.068 0.000 0.749 329 L CB -0.654 41.449 42.059 0.074 0.000 0.901 329 L HN 0.218 nan 8.230 nan 0.000 0.433 330 M N -0.589 118.989 119.600 -0.037 0.000 2.117 330 M HA -0.214 4.265 4.480 -0.000 0.000 0.262 330 M C 2.357 178.608 176.300 -0.083 0.000 1.065 330 M CA 1.537 56.818 55.300 -0.032 0.000 1.114 330 M CB -0.259 32.347 32.600 0.009 0.000 1.361 330 M HN -0.001 nan 8.290 nan 0.000 0.408 331 K N 0.463 120.791 120.400 -0.120 0.000 2.057 331 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 331 K C 1.596 178.071 176.600 -0.208 0.000 1.049 331 K CA 1.301 57.499 56.287 -0.149 0.000 0.931 331 K CB -0.591 31.813 32.500 -0.160 0.000 0.714 331 K HN 0.123 nan 8.250 nan 0.000 0.440 332 V N 0.067 119.780 119.914 -0.335 0.000 2.427 332 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 332 V C 2.339 178.329 176.094 -0.173 0.000 1.051 332 V CA 1.998 64.103 62.300 -0.326 0.000 1.048 332 V CB -0.395 31.136 31.823 -0.486 0.000 0.666 332 V HN 0.444 nan 8.190 nan 0.000 0.456 333 S N -0.878 114.740 115.700 -0.137 0.000 2.368 333 S HA -0.239 4.231 4.470 -0.000 0.000 0.225 333 S C 2.114 176.676 174.600 -0.065 0.000 1.030 333 S CA 1.904 60.058 58.200 -0.077 0.000 0.999 333 S CB -0.257 62.913 63.200 -0.049 0.000 0.844 333 S HN 0.715 nan 8.310 nan 0.000 0.459 334 E N 0.301 120.459 120.200 -0.070 0.000 2.072 334 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 334 E C 2.016 178.581 176.600 -0.059 0.000 0.985 334 E CA 1.330 57.697 56.400 -0.054 0.000 0.801 334 E CB -0.222 29.448 29.700 -0.049 0.000 0.750 334 E HN 0.626 nan 8.360 nan 0.000 0.452 335 I N 1.244 121.767 120.570 -0.077 0.000 2.202 335 I HA -0.251 3.918 4.170 -0.000 0.000 0.242 335 I C 2.831 178.912 176.117 -0.060 0.000 1.091 335 I CA 1.330 62.587 61.300 -0.072 0.000 1.368 335 I CB -0.365 37.583 38.000 -0.087 0.000 1.058 335 I HN 0.144 nan 8.210 nan 0.000 0.410 336 S N 0.531 116.195 115.700 -0.060 0.000 2.368 336 S HA -0.012 4.458 4.470 -0.000 0.000 0.224 336 S C 1.945 176.527 174.600 -0.030 0.000 1.029 336 S CA 1.019 59.195 58.200 -0.039 0.000 0.988 336 S CB -0.355 62.824 63.200 -0.035 0.000 0.838 336 S HN 0.628 nan 8.310 nan 0.000 0.462 337 G N 0.058 108.839 108.800 -0.033 0.000 2.195 337 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.246 337 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.246 337 G C -0.047 174.842 174.900 -0.018 0.000 0.984 337 G CA 0.149 45.235 45.100 -0.024 0.000 0.633 337 G HN 0.570 nan 8.290 nan 0.000 0.525 338 Q N 1.395 121.184 119.800 -0.018 0.000 2.288 338 Q HA 0.376 4.716 4.340 -0.000 0.000 0.254 338 Q C -2.062 173.931 176.000 -0.011 0.000 0.932 338 Q CA -1.325 54.472 55.803 -0.010 0.000 0.902 338 Q CB 2.017 30.753 28.738 -0.004 0.000 1.203 338 Q HN 0.382 nan 8.270 nan 0.000 0.415 339 P HA 0.208 nan 4.420 nan 0.000 0.276 339 P C -0.322 176.983 177.300 0.007 0.000 1.252 339 P CA -0.273 62.828 63.100 0.001 0.000 0.802 339 P CB 0.929 32.632 31.700 0.004 0.000 1.035 340 I N 3.223 123.802 120.570 0.014 0.000 2.396 340 I HA 0.171 4.341 4.170 -0.000 0.000 0.289 340 I C -1.265 174.871 176.117 0.032 0.000 1.056 340 I CA -2.014 59.302 61.300 0.028 0.000 1.365 340 I CB 0.700 38.726 38.000 0.042 0.000 1.407 340 I HN 0.275 nan 8.210 nan 0.000 0.509 341 P HA 0.097 nan 4.420 nan 0.000 0.272 341 P C 0.320 177.641 177.300 0.036 0.000 1.240 341 P CA -0.332 62.787 63.100 0.032 0.000 0.791 341 P CB 1.098 32.818 31.700 0.033 0.000 0.978 342 A N 1.747 124.583 122.820 0.027 0.000 1.933 342 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 342 A C 2.293 179.893 177.584 0.027 0.000 1.175 342 A CA 2.256 54.306 52.037 0.022 0.000 0.628 342 A CB -1.698 17.311 19.000 0.016 0.000 0.814 342 A HN 0.696 nan 8.150 nan 0.000 0.444 343 S N 0.311 116.029 115.700 0.031 0.000 2.368 343 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 343 S C 1.856 176.488 174.600 0.054 0.000 1.030 343 S CA 1.520 59.742 58.200 0.036 0.000 0.999 343 S CB -0.763 62.458 63.200 0.036 0.000 0.844 343 S HN 0.450 nan 8.310 nan 0.000 0.459 344 L N 1.127 122.395 121.223 0.076 0.000 2.141 344 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 344 L C 2.840 179.790 176.870 0.134 0.000 1.094 344 L CA 1.444 56.366 54.840 0.137 0.000 0.763 344 L CB -1.127 41.024 42.059 0.154 0.000 0.908 344 L HN 0.386 nan 8.230 nan 0.000 0.437 345 T N -0.753 113.843 114.554 0.071 0.000 2.867 345 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 345 T C 1.906 176.586 174.700 -0.033 0.000 1.057 345 T CA 1.210 63.323 62.100 0.021 0.000 1.136 345 T CB 0.009 68.889 68.868 0.020 0.000 0.874 345 T HN 0.209 nan 8.240 nan 0.000 0.466 346 K N 1.118 121.509 120.400 -0.014 0.000 2.057 346 K HA -0.073 4.246 4.320 -0.000 0.000 0.206 346 K C 2.313 178.877 176.600 -0.061 0.000 1.050 346 K CA 1.284 57.553 56.287 -0.030 0.000 0.935 346 K CB -0.019 32.476 32.500 -0.008 0.000 0.715 346 K HN 0.342 nan 8.250 nan 0.000 0.439 347 E N 0.472 120.650 120.200 -0.037 0.000 2.077 347 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 347 E C 2.153 178.583 176.600 -0.283 0.000 0.989 347 E CA 1.160 57.532 56.400 -0.046 0.000 0.800 347 E CB -0.017 29.756 29.700 0.123 0.000 0.746 347 E HN 0.230 nan 8.360 nan 0.000 0.452 348 R N -0.194 119.974 120.500 -0.553 0.000 2.081 348 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 348 R C 2.371 178.419 176.300 -0.421 0.000 1.131 348 R CA 1.623 57.139 56.100 -0.973 0.000 0.960 348 R CB -0.614 29.190 30.300 -0.826 0.000 0.856 348 R HN 0.260 nan 8.270 nan 0.000 0.436 349 G N 0.533 109.191 108.800 -0.237 0.000 2.440 349 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.218 349 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.218 349 G C 1.465 176.301 174.900 -0.106 0.000 1.154 349 G CA 0.779 45.799 45.100 -0.133 0.000 0.767 349 G HN 0.339 nan 8.290 nan 0.000 0.552 350 R N -0.780 119.658 120.500 -0.105 0.000 2.092 350 R HA 0.043 4.382 4.340 -0.000 0.000 0.231 350 R C 2.428 178.692 176.300 -0.059 0.000 1.119 350 R CA 0.920 56.982 56.100 -0.063 0.000 0.970 350 R CB -0.426 29.847 30.300 -0.046 0.000 0.864 350 R HN 0.367 nan 8.270 nan 0.000 0.440 351 L N 0.658 121.820 121.223 -0.102 0.000 2.046 351 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 351 L C 1.924 178.779 176.870 -0.024 0.000 1.077 351 L CA 1.661 56.469 54.840 -0.054 0.000 0.747 351 L CB -0.430 41.571 42.059 -0.097 0.000 0.896 351 L HN -0.086 nan 8.230 nan 0.000 0.432 352 V N 0.026 119.903 119.914 -0.061 0.000 2.358 352 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 352 V C 2.356 178.439 176.094 -0.018 0.000 1.047 352 V CA 1.880 64.159 62.300 -0.036 0.000 1.035 352 V CB -0.849 30.941 31.823 -0.055 0.000 0.658 352 V HN 0.566 nan 8.190 nan 0.000 0.452 353 D N -0.348 120.038 120.400 -0.022 0.000 2.117 353 D HA -0.206 4.434 4.640 -0.000 0.000 0.197 353 D C 2.163 178.470 176.300 0.012 0.000 0.987 353 D CA 1.563 55.559 54.000 -0.006 0.000 0.829 353 D CB -0.123 40.670 40.800 -0.012 0.000 0.961 353 D HN 0.359 nan 8.370 nan 0.000 0.460 354 M N -0.685 118.923 119.600 0.013 0.000 2.175 354 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 354 M C 2.253 178.578 176.300 0.042 0.000 1.063 354 M CA 1.161 56.478 55.300 0.029 0.000 1.119 354 M CB -0.144 32.476 32.600 0.033 0.000 1.377 354 M HN 0.163 nan 8.290 nan 0.000 0.415 355 M N -0.443 119.179 119.600 0.038 0.000 2.132 355 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 355 M C 2.357 178.696 176.300 0.064 0.000 1.065 355 M CA 2.131 57.451 55.300 0.034 0.000 1.122 355 M CB -0.716 31.889 32.600 0.009 0.000 1.365 355 M HN 0.429 nan 8.290 nan 0.000 0.411 356 T N -2.064 112.524 114.554 0.056 0.000 2.746 356 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 356 T C 1.343 176.149 174.700 0.176 0.000 1.039 356 T CA 1.559 63.723 62.100 0.107 0.000 1.142 356 T CB -0.585 68.310 68.868 0.045 0.000 0.866 356 T HN 0.215 nan 8.240 nan 0.000 0.444 357 D N 1.561 122.014 120.400 0.088 0.000 2.117 357 D HA -0.001 4.639 4.640 -0.000 0.000 0.197 357 D C 2.009 178.337 176.300 0.047 0.000 0.987 357 D CA 1.203 55.238 54.000 0.059 0.000 0.829 357 D CB -0.361 40.464 40.800 0.042 0.000 0.961 357 D HN 0.413 nan 8.370 nan 0.000 0.460 358 S N -0.532 115.208 115.700 0.066 0.000 2.557 358 S HA -0.029 4.441 4.470 -0.000 0.000 0.223 358 S C 1.516 176.149 174.600 0.054 0.000 0.969 358 S CA -0.420 57.828 58.200 0.079 0.000 0.927 358 S CB -0.082 63.171 63.200 0.088 0.000 0.806 358 S HN 0.462 nan 8.310 nan 0.000 0.489 359 H N 1.700 120.768 119.070 -0.004 0.000 2.353 359 H HA -0.115 4.440 4.556 -0.000 0.000 0.300 359 H C 2.153 177.461 175.328 -0.034 0.000 1.090 359 H CA 1.943 57.975 56.048 -0.026 0.000 1.327 359 H CB -0.932 28.799 29.762 -0.051 0.000 1.383 359 H HN 0.466 nan 8.280 nan 0.000 0.508 360 T N -1.588 112.537 114.554 -0.714 0.000 2.746 360 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 360 T C 1.980 176.459 174.700 -0.369 0.000 1.039 360 T CA 1.442 63.200 62.100 -0.570 0.000 1.142 360 T CB -0.953 67.457 68.868 -0.763 0.000 0.866 360 T HN 0.568 nan 8.240 nan 0.000 0.444 361 W N 0.924 122.184 121.300 -0.067 0.000 2.381 361 W HA 0.274 4.934 4.660 -0.000 0.000 0.301 361 W C 2.418 178.962 176.519 0.041 0.000 1.205 361 W CA -0.102 57.239 57.345 -0.007 0.000 1.285 361 W CB -0.319 29.129 29.460 -0.020 0.000 1.133 361 W HN 0.196 nan 8.180 nan 0.000 0.521 362 L N -0.742 120.619 121.223 0.229 0.000 2.201 362 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 362 L C 1.533 178.485 176.870 0.137 0.000 1.105 362 L CA 0.539 55.479 54.840 0.168 0.000 0.775 362 L CB -0.857 41.244 42.059 0.071 0.000 0.913 362 L HN 0.007 nan 8.230 nan 0.000 0.440 363 H N 0.483 119.577 119.070 0.040 0.000 3.070 363 H HA 0.005 4.561 4.556 -0.000 0.000 0.313 363 H C 1.086 176.460 175.328 0.077 0.000 0.997 363 H CA 1.065 57.133 56.048 0.034 0.000 1.438 363 H CB 0.702 30.494 29.762 0.051 0.000 1.455 363 H HN 0.354 nan 8.280 nan 0.000 0.575 364 G N 4.823 113.341 108.800 -0.471 0.000 2.184 364 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.264 364 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.264 364 G C 0.275 175.152 174.900 -0.039 0.000 0.975 364 G CA 0.155 45.115 45.100 -0.232 0.000 0.642 364 G HN 0.546 nan 8.290 nan 0.000 0.536 365 K N 0.654 121.071 120.400 0.029 0.000 2.401 365 K HA 0.310 4.630 4.320 -0.000 0.000 0.278 365 K C 0.816 177.396 176.600 -0.034 0.000 1.018 365 K CA -0.037 56.257 56.287 0.010 0.000 0.981 365 K CB 0.594 33.157 32.500 0.106 0.000 0.933 365 K HN 0.427 nan 8.250 nan 0.000 0.477 366 R N 2.358 122.741 120.500 -0.195 0.000 2.265 366 R HA 0.375 4.715 4.340 -0.000 0.000 0.319 366 R C -0.545 175.574 176.300 -0.302 0.000 1.006 366 R CA -0.337 55.679 56.100 -0.141 0.000 0.880 366 R CB 0.573 30.797 30.300 -0.126 0.000 1.077 366 R HN 0.337 nan 8.270 nan 0.000 0.454 367 F N 0.821 120.798 119.950 0.044 0.000 2.532 367 F HA 0.600 5.127 4.527 -0.000 0.000 0.321 367 F C 0.069 175.933 175.800 0.107 0.000 1.089 367 F CA -0.960 57.101 58.000 0.102 0.000 0.926 367 F CB 2.156 41.218 39.000 0.103 0.000 1.168 367 F HN 0.464 nan 8.300 nan 0.000 0.459 368 A N 4.479 127.528 122.820 0.382 0.000 2.304 368 A HA 0.877 5.197 4.320 -0.000 0.000 0.314 368 A C -1.165 176.696 177.584 0.461 0.000 1.187 368 A CA -0.586 51.694 52.037 0.403 0.000 0.810 368 A CB 0.791 20.045 19.000 0.423 0.000 1.183 368 A HN 0.860 nan 8.150 nan 0.000 0.487 369 L N -0.088 121.403 121.223 0.445 0.000 2.393 369 L HA 1.080 5.420 4.340 -0.000 0.000 0.260 369 L C -1.087 176.104 176.870 0.535 0.000 1.002 369 L CA -0.966 54.113 54.840 0.399 0.000 0.818 369 L CB 1.869 44.050 42.059 0.204 0.000 1.369 369 L HN 0.932 nan 8.230 nan 0.000 0.412 370 W N 1.158 122.614 121.300 0.261 0.000 3.118 370 W HA 0.972 5.632 4.660 -0.000 0.000 0.328 370 W C -0.524 176.177 176.519 0.303 0.000 1.239 370 W CA -0.061 57.438 57.345 0.258 0.000 1.176 370 W CB 1.156 30.733 29.460 0.196 0.000 1.433 370 W HN 0.932 nan 8.180 nan 0.000 0.562 371 G N 0.550 109.599 108.800 0.416 0.000 2.356 371 G HA2 0.234 4.194 3.960 -0.000 0.000 0.281 371 G HA3 0.234 4.194 3.960 -0.000 0.000 0.281 371 G C -1.696 173.356 174.900 0.254 0.000 1.246 371 G CA -0.890 44.384 45.100 0.290 0.000 0.889 371 G HN 0.536 nan 8.290 nan 0.000 0.486 372 D N 1.291 121.814 120.400 0.204 0.000 2.329 372 D HA 0.368 5.008 4.640 -0.000 0.000 0.246 372 D C -0.946 175.379 176.300 0.042 0.000 1.111 372 D CA -1.282 52.765 54.000 0.079 0.000 0.941 372 D CB 2.012 42.848 40.800 0.060 0.000 1.169 372 D HN 0.054 nan 8.370 nan 0.000 0.441 373 P HA -0.145 nan 4.420 nan 0.000 0.216 373 P C 0.340 177.710 177.300 0.117 0.000 1.150 373 P CA 1.300 64.096 63.100 -0.506 0.000 0.837 373 P CB 0.450 31.373 31.700 -1.295 0.000 0.786 374 D N -0.924 119.633 120.400 0.262 0.000 2.117 374 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 374 D C 1.737 178.250 176.300 0.355 0.000 0.982 374 D CA 0.848 55.076 54.000 0.380 0.000 0.828 374 D CB -0.755 40.244 40.800 0.331 0.000 0.967 374 D HN 0.107 nan 8.370 nan 0.000 0.464 375 F N 0.817 120.888 119.950 0.202 0.000 2.146 375 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 375 F C 1.914 177.830 175.800 0.194 0.000 1.096 375 F CA 0.971 59.074 58.000 0.170 0.000 1.275 375 F CB -0.304 38.776 39.000 0.134 0.000 1.008 375 F HN -0.181 nan 8.300 nan 0.000 0.480 376 V N 1.136 121.179 119.914 0.215 0.000 2.358 376 V HA -0.339 3.781 4.120 -0.000 0.000 0.246 376 V C 2.516 178.719 176.094 0.182 0.000 1.047 376 V CA 2.168 64.573 62.300 0.175 0.000 1.035 376 V CB -0.656 31.422 31.823 0.424 0.000 0.658 376 V HN 0.589 nan 8.190 nan 0.000 0.452 377 M N 0.637 120.457 119.600 0.367 0.000 2.117 377 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 377 M C 2.004 178.484 176.300 0.300 0.000 1.065 377 M CA 2.433 57.943 55.300 0.349 0.000 1.114 377 M CB -0.649 32.236 32.600 0.475 0.000 1.361 377 M HN 0.324 nan 8.290 nan 0.000 0.408 378 G N 0.563 109.535 108.800 0.288 0.000 2.418 378 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 378 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 378 G C 1.317 176.168 174.900 -0.082 0.000 1.158 378 G CA 0.837 46.067 45.100 0.217 0.000 0.771 378 G HN 0.427 nan 8.290 nan 0.000 0.545 379 L N 0.707 121.801 121.223 -0.215 0.000 2.056 379 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 379 L C 2.994 179.777 176.870 -0.146 0.000 1.078 379 L CA 1.118 55.810 54.840 -0.248 0.000 0.749 379 L CB -0.578 41.201 42.059 -0.467 0.000 0.901 379 L HN 0.098 nan 8.230 nan 0.000 0.433 380 V N -0.354 119.495 119.914 -0.107 0.000 2.343 380 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 380 V C 2.621 178.624 176.094 -0.151 0.000 1.051 380 V CA 1.922 64.169 62.300 -0.087 0.000 1.036 380 V CB -0.541 31.266 31.823 -0.025 0.000 0.654 380 V HN 0.463 nan 8.190 nan 0.000 0.451 381 K N 0.007 120.266 120.400 -0.235 0.000 2.057 381 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 381 K C 1.947 178.379 176.600 -0.279 0.000 1.049 381 K CA 1.780 57.818 56.287 -0.414 0.000 0.931 381 K CB -0.545 31.327 32.500 -1.046 0.000 0.714 381 K HN 0.318 nan 8.250 nan 0.000 0.440 382 F N 1.036 120.766 119.950 -0.367 0.000 2.146 382 F HA -0.019 4.507 4.527 -0.000 0.000 0.298 382 F C 1.524 177.175 175.800 -0.248 0.000 1.096 382 F CA 1.248 59.076 58.000 -0.286 0.000 1.275 382 F CB -0.336 38.516 39.000 -0.247 0.000 1.008 382 F HN -0.013 nan 8.300 nan 0.000 0.480 383 L N -0.454 120.556 121.223 -0.355 0.000 2.046 383 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 383 L C 2.517 179.163 176.870 -0.372 0.000 1.077 383 L CA 1.246 55.824 54.840 -0.437 0.000 0.747 383 L CB -0.872 40.991 42.059 -0.327 0.000 0.896 383 L HN 0.165 nan 8.230 nan 0.000 0.432 384 L N -0.531 120.536 121.223 -0.260 0.000 2.131 384 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 384 L C 2.464 179.172 176.870 -0.270 0.000 1.092 384 L CA 1.181 55.901 54.840 -0.200 0.000 0.759 384 L CB -0.454 41.544 42.059 -0.102 0.000 0.903 384 L HN 0.306 nan 8.230 nan 0.000 0.435 385 E N 0.015 120.043 120.200 -0.287 0.000 2.204 385 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 385 E C 2.039 178.433 176.600 -0.342 0.000 0.989 385 E CA 0.801 57.051 56.400 -0.250 0.000 0.824 385 E CB 0.038 29.646 29.700 -0.153 0.000 0.756 385 E HN 0.513 nan 8.360 nan 0.000 0.477 386 L N -0.609 120.317 121.223 -0.495 0.000 2.591 386 L HA 0.167 4.507 4.340 -0.000 0.000 0.228 386 L C 1.355 177.961 176.870 -0.439 0.000 1.133 386 L CA 0.325 54.888 54.840 -0.461 0.000 0.880 386 L CB 0.081 41.798 42.059 -0.570 0.000 1.033 386 L HN 0.264 nan 8.230 nan 0.000 0.450 387 G N -0.388 108.013 108.800 -0.666 0.000 2.148 387 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 387 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 387 G C 0.302 174.697 174.900 -0.841 0.000 0.981 387 G CA 0.088 44.423 45.100 -1.276 0.000 0.670 387 G HN 0.351 nan 8.290 nan 0.000 0.528 388 C N 0.389 119.438 119.300 -0.418 0.000 2.500 388 C HA 0.606 5.065 4.460 -0.000 0.000 0.367 388 C C 0.737 175.722 174.990 -0.008 0.000 1.283 388 C CA -0.577 58.376 59.018 -0.109 0.000 2.456 388 C CB 1.192 28.942 27.740 0.016 0.000 2.457 388 C HN 0.488 nan 8.230 nan 0.000 0.632 389 E N 2.693 122.968 120.200 0.125 0.000 2.102 389 E HA 0.230 4.580 4.350 -0.000 0.000 0.263 389 E C -2.414 174.278 176.600 0.155 0.000 0.894 389 E CA -1.276 55.200 56.400 0.127 0.000 0.746 389 E CB 1.330 31.080 29.700 0.083 0.000 1.129 389 E HN 0.449 nan 8.360 nan 0.000 0.416 390 P HA 0.047 nan 4.420 nan 0.000 0.280 390 P C 0.919 178.264 177.300 0.075 0.000 1.386 390 P CA -0.096 63.088 63.100 0.140 0.000 0.899 390 P CB 1.109 32.864 31.700 0.091 0.000 1.098 391 V N 3.244 123.158 119.914 -0.000 0.000 2.270 391 V HA -0.112 4.008 4.120 -0.000 0.000 0.245 391 V C 1.036 177.048 176.094 -0.137 0.000 1.043 391 V CA 1.553 63.745 62.300 -0.181 0.000 1.014 391 V CB -1.269 30.248 31.823 -0.509 0.000 0.645 391 V HN 0.575 nan 8.190 nan 0.000 0.447 392 H N -0.234 118.961 119.070 0.208 0.000 2.587 392 H HA 0.612 5.168 4.556 -0.000 0.000 0.325 392 H C -0.747 174.759 175.328 0.296 0.000 1.012 392 H CA -0.842 55.364 56.048 0.264 0.000 1.213 392 H CB 1.507 31.365 29.762 0.160 0.000 1.431 392 H HN 0.238 nan 8.280 nan 0.000 0.492 393 I N 4.366 125.219 120.570 0.473 0.000 2.389 393 I HA 0.240 4.410 4.170 -0.000 0.000 0.288 393 I C -0.453 175.967 176.117 0.504 0.000 0.999 393 I CA -0.439 61.112 61.300 0.419 0.000 1.129 393 I CB 2.013 40.198 38.000 0.309 0.000 1.288 393 I HN 0.251 nan 8.210 nan 0.000 0.444 394 L N 7.328 128.836 121.223 0.474 0.000 2.376 394 L HA 0.623 4.963 4.340 -0.000 0.000 0.275 394 L C -1.313 175.807 176.870 0.417 0.000 0.987 394 L CA -0.246 54.856 54.840 0.437 0.000 0.828 394 L CB 1.595 43.831 42.059 0.294 0.000 1.249 394 L HN 0.749 nan 8.230 nan 0.000 0.409 395 C N 3.823 123.329 119.300 0.344 0.000 2.346 395 C HA 0.339 4.799 4.460 -0.000 0.000 0.326 395 C C 1.250 176.341 174.990 0.168 0.000 1.224 395 C CA -0.439 58.668 59.018 0.148 0.000 1.408 395 C CB 0.518 28.045 27.740 -0.355 0.000 2.089 395 C HN 1.095 nan 8.230 nan 0.000 0.456 396 H N 3.811 122.928 119.070 0.079 0.000 2.357 396 H HA -0.073 4.482 4.556 -0.000 0.000 0.301 396 H C 1.294 176.627 175.328 0.009 0.000 1.082 396 H CA 2.001 58.086 56.048 0.062 0.000 1.342 396 H CB 0.444 30.249 29.762 0.073 0.000 1.389 396 H HN 0.838 nan 8.280 nan 0.000 0.511 397 N N 0.463 119.165 118.700 0.003 0.000 2.322 397 N HA 0.091 4.831 4.740 -0.000 0.000 0.216 397 N C 0.444 175.855 175.510 -0.165 0.000 1.144 397 N CA 0.291 53.263 53.050 -0.129 0.000 0.830 397 N CB 0.112 38.486 38.487 -0.189 0.000 1.034 397 N HN 0.207 nan 8.380 nan 0.000 0.484 398 G N 0.172 108.856 108.800 -0.193 0.000 2.563 398 G HA2 0.409 4.369 3.960 -0.000 0.000 0.283 398 G HA3 0.409 4.369 3.960 -0.000 0.000 0.283 398 G C -0.122 174.773 174.900 -0.009 0.000 1.309 398 G CA -0.539 44.375 45.100 -0.309 0.000 1.022 398 G HN 0.552 nan 8.290 nan 0.000 0.501 399 N N -2.599 116.178 118.700 0.129 0.000 0.000 399 N HA 0.272 5.012 4.740 -0.000 0.000 0.000 399 N C 0.529 176.184 175.510 0.242 0.000 0.000 399 N CA -0.939 52.226 53.050 0.193 0.000 0.000 399 N CB 1.514 40.114 38.487 0.189 0.000 0.000 399 N HN 0.319 nan 8.380 nan 0.000 0.000 400 K N -0.371 120.137 120.400 0.179 0.000 2.057 400 K HA 0.050 4.370 4.320 -0.000 0.000 0.206 400 K C 1.683 178.361 176.600 0.131 0.000 1.050 400 K CA 1.251 57.621 56.287 0.137 0.000 0.935 400 K CB -0.092 32.472 32.500 0.108 0.000 0.715 400 K HN 0.370 nan 8.250 nan 0.000 0.439 401 R N -0.540 120.078 120.500 0.196 0.000 2.081 401 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 401 R C 1.827 178.187 176.300 0.100 0.000 1.131 401 R CA 1.805 58.051 56.100 0.243 0.000 0.960 401 R CB -0.442 30.130 30.300 0.453 0.000 0.856 401 R HN 0.382 nan 8.270 nan 0.000 0.436 402 W N 1.842 122.966 121.300 -0.293 0.000 2.358 402 W HA -0.187 4.473 4.660 -0.000 0.000 0.303 402 W C 2.019 178.277 176.519 -0.435 0.000 1.208 402 W CA 1.602 58.402 57.345 -0.908 0.000 1.274 402 W CB -0.119 28.831 29.460 -0.850 0.000 1.138 402 W HN -0.020 nan 8.180 nan 0.000 0.515 403 K N 0.899 121.178 120.400 -0.200 0.000 2.097 403 K HA -0.241 4.078 4.320 -0.000 0.000 0.206 403 K C 2.209 178.614 176.600 -0.325 0.000 1.049 403 K CA 1.828 57.916 56.287 -0.332 0.000 0.933 403 K CB -0.447 32.054 32.500 0.001 0.000 0.717 403 K HN 0.121 nan 8.250 nan 0.000 0.442 404 K N 0.073 120.366 120.400 -0.179 0.000 2.057 404 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 404 K C 2.022 178.534 176.600 -0.146 0.000 1.049 404 K CA 1.202 57.425 56.287 -0.107 0.000 0.931 404 K CB -0.200 32.293 32.500 -0.010 0.000 0.714 404 K HN 0.270 nan 8.250 nan 0.000 0.440 405 A N 0.532 123.228 122.820 -0.207 0.000 1.902 405 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 405 A C 2.212 179.650 177.584 -0.243 0.000 1.181 405 A CA 1.694 53.638 52.037 -0.156 0.000 0.623 405 A CB -0.613 18.312 19.000 -0.125 0.000 0.818 405 A HN 0.171 nan 8.150 nan 0.000 0.443 406 V N 0.493 120.100 119.914 -0.512 0.000 2.358 406 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 406 V C 2.130 178.076 176.094 -0.245 0.000 1.047 406 V CA 2.135 64.164 62.300 -0.451 0.000 1.035 406 V CB -0.789 30.555 31.823 -0.798 0.000 0.658 406 V HN 0.489 nan 8.190 nan 0.000 0.452 407 D N 0.398 120.659 120.400 -0.231 0.000 2.178 407 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 407 D C 2.215 178.465 176.300 -0.084 0.000 0.980 407 D CA 1.594 55.513 54.000 -0.136 0.000 0.842 407 D CB -0.090 40.638 40.800 -0.120 0.000 0.948 407 D HN 0.453 nan 8.370 nan 0.000 0.472 408 A N 0.901 123.678 122.820 -0.072 0.000 1.902 408 A HA -0.131 4.188 4.320 -0.000 0.000 0.217 408 A C 2.378 179.959 177.584 -0.006 0.000 1.181 408 A CA 0.761 52.783 52.037 -0.024 0.000 0.623 408 A CB -0.614 18.387 19.000 0.002 0.000 0.818 408 A HN 0.178 nan 8.150 nan 0.000 0.443 409 I N -0.344 120.223 120.570 -0.006 0.000 2.226 409 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 409 I C 2.389 178.496 176.117 -0.017 0.000 1.100 409 I CA 1.180 62.490 61.300 0.016 0.000 1.374 409 I CB -0.368 37.647 38.000 0.024 0.000 1.057 409 I HN 0.305 nan 8.210 nan 0.000 0.413 410 L N 0.476 121.676 121.223 -0.038 0.000 2.056 410 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 410 L C 2.834 179.691 176.870 -0.022 0.000 1.078 410 L CA 1.248 56.069 54.840 -0.032 0.000 0.749 410 L CB -0.660 41.372 42.059 -0.044 0.000 0.901 410 L HN 0.230 nan 8.230 nan 0.000 0.433 411 A N -0.035 122.770 122.820 -0.025 0.000 1.969 411 A HA -0.109 4.210 4.320 -0.000 0.000 0.218 411 A C 2.477 180.055 177.584 -0.011 0.000 1.169 411 A CA 1.490 53.514 52.037 -0.020 0.000 0.635 411 A CB -0.512 18.476 19.000 -0.020 0.000 0.810 411 A HN 0.401 nan 8.150 nan 0.000 0.445 412 A N -1.074 121.745 122.820 -0.001 0.000 2.015 412 A HA 0.161 4.481 4.320 -0.000 0.000 0.219 412 A C 1.516 179.106 177.584 0.009 0.000 1.163 412 A CA 1.298 53.340 52.037 0.009 0.000 0.646 412 A CB -0.351 18.662 19.000 0.023 0.000 0.806 412 A HN 0.478 nan 8.150 nan 0.000 0.448 413 S N -0.641 115.065 115.700 0.010 0.000 2.454 413 S HA 0.471 4.941 4.470 -0.000 0.000 0.306 413 S C -1.556 173.045 174.600 0.001 0.000 1.100 413 S CA -1.568 56.652 58.200 0.034 0.000 1.087 413 S CB 1.492 64.734 63.200 0.070 0.000 1.019 413 S HN 0.170 nan 8.310 nan 0.000 0.480 414 P HA -0.119 nan 4.420 nan 0.000 0.221 414 P C 0.579 177.708 177.300 -0.284 0.000 1.145 414 P CA 1.110 64.100 63.100 -0.183 0.000 0.795 414 P CB -0.030 31.516 31.700 -0.256 0.000 0.775 415 Y N 1.117 121.391 120.300 -0.043 0.000 2.242 415 Y HA 0.049 4.599 4.550 -0.000 0.000 0.291 415 Y C 2.732 178.601 175.900 -0.051 0.000 1.137 415 Y CA 1.648 59.714 58.100 -0.057 0.000 1.181 415 Y CB -1.350 37.067 38.460 -0.073 0.000 0.989 415 Y HN -0.014 nan 8.280 nan 0.000 0.527 416 G N 0.613 109.450 108.800 0.061 0.000 3.295 416 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.231 416 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.231 416 G C 1.351 176.245 174.900 -0.009 0.000 1.277 416 G CA 0.148 45.261 45.100 0.022 0.000 1.013 416 G HN 0.517 nan 8.290 nan 0.000 0.509 417 K N -0.088 120.296 120.400 -0.026 0.000 2.057 417 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 417 K C 1.446 178.030 176.600 -0.026 0.000 1.050 417 K CA 1.153 57.417 56.287 -0.038 0.000 0.935 417 K CB -0.112 32.351 32.500 -0.061 0.000 0.715 417 K HN 0.065 nan 8.250 nan 0.000 0.439 418 N N 1.052 119.740 118.700 -0.019 0.000 2.336 418 N HA 0.103 4.843 4.740 -0.000 0.000 0.189 418 N C -0.157 175.351 175.510 -0.004 0.000 1.113 418 N CA 0.489 53.530 53.050 -0.016 0.000 0.858 418 N CB 0.417 38.888 38.487 -0.026 0.000 0.970 418 N HN 0.326 nan 8.380 nan 0.000 0.471 419 A N 0.650 123.473 122.820 0.004 0.000 2.450 419 A HA 0.428 4.748 4.320 -0.000 0.000 0.255 419 A C 0.155 177.758 177.584 0.031 0.000 1.096 419 A CA 0.341 52.396 52.037 0.029 0.000 0.778 419 A CB 0.227 19.243 19.000 0.027 0.000 1.031 419 A HN 0.056 nan 8.150 nan 0.000 0.494 420 T N 2.095 116.705 114.554 0.094 0.000 2.881 420 T HA 0.470 4.820 4.350 -0.000 0.000 0.290 420 T C -0.592 174.138 174.700 0.051 0.000 1.000 420 T CA -0.344 61.760 62.100 0.006 0.000 0.978 420 T CB 1.397 70.241 68.868 -0.040 0.000 0.997 420 T HN 0.437 nan 8.240 nan 0.000 0.443 421 V N 4.249 124.110 119.914 -0.088 0.000 2.439 421 V HA 0.494 4.614 4.120 -0.000 0.000 0.282 421 V C -1.151 174.935 176.094 -0.013 0.000 1.039 421 V CA -0.621 61.714 62.300 0.059 0.000 0.913 421 V CB 0.551 32.355 31.823 -0.032 0.000 0.983 421 V HN 0.774 nan 8.190 nan 0.000 0.460 422 Y N 4.979 125.402 120.300 0.205 0.000 2.409 422 Y HA 0.743 5.293 4.550 -0.000 0.000 0.343 422 Y C 0.192 176.231 175.900 0.231 0.000 0.973 422 Y CA -1.135 57.078 58.100 0.188 0.000 1.064 422 Y CB 1.684 40.256 38.460 0.187 0.000 1.207 422 Y HN 0.581 nan 8.280 nan 0.000 0.452 423 I N -1.354 119.415 120.570 0.331 0.000 2.689 423 I HA 0.864 5.034 4.170 -0.000 0.000 0.299 423 I C 0.739 176.992 176.117 0.227 0.000 1.059 423 I CA -1.060 60.408 61.300 0.279 0.000 1.055 423 I CB 2.264 40.423 38.000 0.265 0.000 1.243 423 I HN 0.721 nan 8.210 nan 0.000 0.425 424 G N 3.017 111.972 108.800 0.260 0.000 2.184 424 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.264 424 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.264 424 G C 0.001 175.016 174.900 0.191 0.000 0.975 424 G CA 0.004 45.278 45.100 0.291 0.000 0.642 424 G HN 0.670 nan 8.290 nan 0.000 0.536 425 K N 1.462 121.907 120.400 0.075 0.000 2.185 425 K HA 0.470 4.790 4.320 -0.000 0.000 0.269 425 K C 0.098 176.596 176.600 -0.170 0.000 0.987 425 K CA -0.249 56.017 56.287 -0.035 0.000 0.865 425 K CB 1.845 34.255 32.500 -0.151 0.000 1.090 425 K HN 0.472 nan 8.250 nan 0.000 0.450 426 D N 0.933 121.270 120.400 -0.106 0.000 2.447 426 D HA 0.072 4.712 4.640 -0.000 0.000 0.265 426 D C 1.213 177.354 176.300 -0.265 0.000 1.250 426 D CA -0.610 53.155 54.000 -0.392 0.000 1.046 426 D CB 0.551 41.137 40.800 -0.356 0.000 1.095 426 D HN 0.292 nan 8.370 nan 0.000 0.555 427 L N -1.105 119.947 121.223 -0.285 0.000 2.275 427 L HA -0.036 4.304 4.340 -0.000 0.000 0.215 427 L C 2.027 178.774 176.870 -0.205 0.000 1.119 427 L CA 0.520 55.168 54.840 -0.320 0.000 0.790 427 L CB -0.295 41.562 42.059 -0.336 0.000 0.919 427 L HN 0.532 nan 8.230 nan 0.000 0.443 428 W N 0.691 121.795 121.300 -0.328 0.000 2.388 428 W HA -0.190 4.470 4.660 -0.000 0.000 0.294 428 W C 2.271 178.595 176.519 -0.325 0.000 1.212 428 W CA 1.561 58.724 57.345 -0.303 0.000 1.271 428 W CB -0.159 29.083 29.460 -0.364 0.000 1.126 428 W HN 0.297 nan 8.180 nan 0.000 0.535 429 H N -0.192 118.648 119.070 -0.383 0.000 2.357 429 H HA -0.181 4.374 4.556 -0.000 0.000 0.301 429 H C 2.452 177.488 175.328 -0.486 0.000 1.082 429 H CA 1.834 57.485 56.048 -0.662 0.000 1.342 429 H CB -0.446 28.833 29.762 -0.806 0.000 1.389 429 H HN 0.051 nan 8.280 nan 0.000 0.511 430 L N 0.853 121.911 121.223 -0.274 0.000 2.141 430 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 430 L C 2.572 179.279 176.870 -0.272 0.000 1.094 430 L CA 1.092 55.762 54.840 -0.283 0.000 0.763 430 L CB -0.234 41.639 42.059 -0.311 0.000 0.908 430 L HN 0.267 nan 8.230 nan 0.000 0.437 431 R N -0.851 119.457 120.500 -0.321 0.000 2.081 431 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 431 R C 2.316 178.525 176.300 -0.151 0.000 1.131 431 R CA 1.940 57.871 56.100 -0.281 0.000 0.960 431 R CB -0.200 29.822 30.300 -0.464 0.000 0.856 431 R HN 0.218 nan 8.270 nan 0.000 0.436 432 S N 0.570 116.124 115.700 -0.244 0.000 2.368 432 S HA -0.029 4.441 4.470 -0.000 0.000 0.224 432 S C 1.842 176.425 174.600 -0.030 0.000 1.029 432 S CA 1.031 59.172 58.200 -0.100 0.000 0.988 432 S CB -0.115 63.033 63.200 -0.087 0.000 0.838 432 S HN 0.296 nan 8.310 nan 0.000 0.462 433 L N 1.449 122.598 121.223 -0.123 0.000 2.046 433 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 433 L C 2.533 179.262 176.870 -0.236 0.000 1.077 433 L CA 1.468 56.133 54.840 -0.292 0.000 0.747 433 L CB -0.887 40.779 42.059 -0.656 0.000 0.896 433 L HN 0.354 nan 8.230 nan 0.000 0.432 434 V N -3.836 115.976 119.914 -0.170 0.000 2.407 434 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 434 V C 2.285 178.319 176.094 -0.100 0.000 1.055 434 V CA 1.428 63.679 62.300 -0.083 0.000 1.049 434 V CB -1.023 30.710 31.823 -0.150 0.000 0.662 434 V HN 0.141 nan 8.190 nan 0.000 0.455 435 F N 2.562 122.461 119.950 -0.085 0.000 2.113 435 F HA -0.076 4.451 4.527 -0.000 0.000 0.297 435 F C 3.000 178.765 175.800 -0.057 0.000 1.103 435 F CA 2.374 60.320 58.000 -0.090 0.000 1.248 435 F CB -1.083 37.798 39.000 -0.198 0.000 0.999 435 F HN 0.374 nan 8.300 nan 0.000 0.475 436 T N -2.929 111.702 114.554 0.130 0.000 2.737 436 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 436 T C 0.657 175.417 174.700 0.099 0.000 1.038 436 T CA 1.188 63.337 62.100 0.082 0.000 1.144 436 T CB -0.273 68.622 68.868 0.046 0.000 0.866 436 T HN 0.051 nan 8.240 nan 0.000 0.434 437 D N 0.763 121.247 120.400 0.139 0.000 2.481 437 D HA 0.318 4.958 4.640 -0.000 0.000 0.246 437 D C -1.193 175.236 176.300 0.215 0.000 1.109 437 D CA -0.593 53.517 54.000 0.183 0.000 0.845 437 D CB 1.571 42.542 40.800 0.285 0.000 1.160 437 D HN 0.251 nan 8.370 nan 0.000 0.534 438 K N 5.140 125.605 120.400 0.108 0.000 2.262 438 K HA 0.357 4.677 4.320 -0.000 0.000 0.282 438 K C -2.219 174.370 176.600 -0.018 0.000 1.066 438 K CA -1.629 54.689 56.287 0.053 0.000 0.901 438 K CB 1.073 33.588 32.500 0.025 0.000 1.089 438 K HN 0.323 nan 8.250 nan 0.000 0.476 439 P HA 0.069 nan 4.420 nan 0.000 0.276 439 P C -0.432 176.735 177.300 -0.222 0.000 1.244 439 P CA -0.271 62.769 63.100 -0.100 0.000 0.801 439 P CB 1.019 32.724 31.700 0.008 0.000 1.006 440 D N 0.225 120.409 120.400 -0.359 0.000 2.117 440 D HA -0.003 4.637 4.640 -0.000 0.000 0.198 440 D C 0.369 176.037 176.300 -1.054 0.000 0.982 440 D CA 1.716 55.342 54.000 -0.623 0.000 0.828 440 D CB -0.082 40.383 40.800 -0.558 0.000 0.967 440 D HN 0.330 nan 8.370 nan 0.000 0.464 441 F N -1.059 118.699 119.950 -0.320 0.000 2.629 441 F HA 0.460 4.987 4.527 -0.000 0.000 0.316 441 F C -0.117 175.732 175.800 0.081 0.000 1.081 441 F CA -0.883 57.037 58.000 -0.134 0.000 0.954 441 F CB 1.583 40.485 39.000 -0.163 0.000 1.337 441 F HN -0.401 nan 8.300 nan 0.000 0.474 442 M N 2.599 122.446 119.600 0.412 0.000 2.311 442 M HA 0.541 5.021 4.480 -0.000 0.000 0.325 442 M C -1.393 175.106 176.300 0.333 0.000 1.061 442 M CA -0.351 55.197 55.300 0.414 0.000 0.957 442 M CB 1.873 34.732 32.600 0.431 0.000 1.646 442 M HN 0.368 nan 8.290 nan 0.000 0.434 443 I N 2.793 123.494 120.570 0.218 0.000 2.362 443 I HA 0.780 4.950 4.170 -0.000 0.000 0.289 443 I C 0.280 176.115 176.117 -0.469 0.000 0.994 443 I CA -0.333 60.965 61.300 -0.003 0.000 1.158 443 I CB 1.686 39.702 38.000 0.028 0.000 1.315 443 I HN 0.851 nan 8.210 nan 0.000 0.451 444 G N 4.764 113.163 108.800 -0.669 0.000 2.428 444 G HA2 0.195 4.155 3.960 -0.000 0.000 0.304 444 G HA3 0.195 4.155 3.960 -0.000 0.000 0.304 444 G C -1.550 172.999 174.900 -0.584 0.000 1.303 444 G CA -0.748 43.509 45.100 -1.405 0.000 0.825 444 G HN 0.580 nan 8.290 nan 0.000 0.484 445 N N -0.777 117.707 118.700 -0.360 0.000 2.366 445 N HA 0.319 5.059 4.740 -0.000 0.000 0.277 445 N C 1.173 176.637 175.510 -0.077 0.000 1.275 445 N CA 0.226 53.166 53.050 -0.182 0.000 0.964 445 N CB 0.447 38.802 38.487 -0.221 0.000 1.167 445 N HN 0.250 nan 8.380 nan 0.000 0.568 446 S N -1.500 114.009 115.700 -0.317 0.000 2.493 446 S HA -0.086 4.384 4.470 -0.000 0.000 0.243 446 S C 0.910 175.358 174.600 -0.254 0.000 0.991 446 S CA 0.568 58.578 58.200 -0.316 0.000 0.957 446 S CB -0.730 62.203 63.200 -0.445 0.000 0.756 446 S HN 0.464 nan 8.310 nan 0.000 0.521 447 Y N 1.153 121.497 120.300 0.072 0.000 2.421 447 Y HA 0.064 4.614 4.550 -0.000 0.000 0.292 447 Y C 2.419 178.396 175.900 0.128 0.000 1.136 447 Y CA 0.189 58.371 58.100 0.138 0.000 1.255 447 Y CB -0.898 37.675 38.460 0.188 0.000 0.991 447 Y HN 0.318 nan 8.280 nan 0.000 0.552 448 G N 0.134 109.152 108.800 0.364 0.000 2.848 448 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.208 448 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.208 448 G C 1.708 176.681 174.900 0.122 0.000 1.152 448 G CA 0.508 45.801 45.100 0.323 0.000 0.789 448 G HN 0.485 nan 8.290 nan 0.000 0.531 449 K N -0.178 120.167 120.400 -0.092 0.000 2.057 449 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 449 K C 1.791 178.289 176.600 -0.171 0.000 1.049 449 K CA 1.133 57.288 56.287 -0.221 0.000 0.931 449 K CB -0.444 31.789 32.500 -0.446 0.000 0.714 449 K HN 0.181 nan 8.250 nan 0.000 0.440 450 F N 1.806 121.833 119.950 0.129 0.000 2.186 450 F HA 0.021 4.548 4.527 -0.000 0.000 0.299 450 F C 2.192 178.056 175.800 0.106 0.000 1.090 450 F CA 0.507 58.578 58.000 0.118 0.000 1.307 450 F CB -0.511 38.572 39.000 0.138 0.000 1.019 450 F HN -0.065 nan 8.300 nan 0.000 0.489 451 I N -0.287 120.415 120.570 0.220 0.000 2.226 451 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 451 I C 2.593 178.752 176.117 0.070 0.000 1.100 451 I CA 1.408 62.771 61.300 0.105 0.000 1.374 451 I CB -0.545 37.457 38.000 0.003 0.000 1.057 451 I HN 0.220 nan 8.210 nan 0.000 0.413 452 Q N 0.916 120.764 119.800 0.080 0.000 2.084 452 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 452 Q C 2.476 178.526 176.000 0.084 0.000 0.978 452 Q CA 1.425 57.263 55.803 0.058 0.000 0.844 452 Q CB -0.073 28.702 28.738 0.063 0.000 0.898 452 Q HN 0.266 nan 8.270 nan 0.000 0.426 453 R N 0.596 121.171 120.500 0.124 0.000 2.081 453 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 453 R C 1.373 177.787 176.300 0.191 0.000 1.131 453 R CA 1.910 58.098 56.100 0.145 0.000 0.960 453 R CB -0.396 30.016 30.300 0.186 0.000 0.856 453 R HN 0.417 nan 8.270 nan 0.000 0.436 454 D N -0.299 120.249 120.400 0.246 0.000 2.117 454 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 454 D C 1.841 178.470 176.300 0.548 0.000 0.987 454 D CA 2.182 56.435 54.000 0.422 0.000 0.829 454 D CB -0.318 40.770 40.800 0.480 0.000 0.961 454 D HN 0.453 nan 8.370 nan 0.000 0.460 455 T N 0.146 114.813 114.554 0.188 0.000 2.777 455 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 455 T C 2.088 176.931 174.700 0.239 0.000 1.040 455 T CA 0.616 62.731 62.100 0.024 0.000 1.141 455 T CB -0.611 68.108 68.868 -0.248 0.000 0.868 455 T HN 0.032 nan 8.240 nan 0.000 0.444 456 L N 1.074 122.409 121.223 0.186 0.000 2.191 456 L HA -0.011 4.329 4.340 -0.000 0.000 0.212 456 L C 2.390 179.404 176.870 0.241 0.000 1.103 456 L CA 1.767 56.714 54.840 0.178 0.000 0.769 456 L CB -1.033 41.099 42.059 0.122 0.000 0.908 456 L HN 0.392 nan 8.230 nan 0.000 0.438 457 H N -0.031 119.137 119.070 0.163 0.000 2.353 457 H HA -0.181 4.374 4.556 -0.000 0.000 0.300 457 H C 2.302 177.750 175.328 0.201 0.000 1.090 457 H CA 2.235 58.317 56.048 0.058 0.000 1.327 457 H CB 0.033 29.669 29.762 -0.209 0.000 1.383 457 H HN 0.401 nan 8.280 nan 0.000 0.508 458 K N -0.495 120.148 120.400 0.404 0.000 2.057 458 K HA 0.013 4.333 4.320 -0.000 0.000 0.207 458 K C 0.393 177.148 176.600 0.259 0.000 1.049 458 K CA 1.209 57.684 56.287 0.313 0.000 0.931 458 K CB -0.039 32.645 32.500 0.307 0.000 0.714 458 K HN 0.432 nan 8.250 nan 0.000 0.440 459 G N -0.857 108.198 108.800 0.424 0.000 2.451 459 G HA2 0.073 4.033 3.960 -0.000 0.000 0.292 459 G HA3 0.073 4.033 3.960 -0.000 0.000 0.292 459 G C -0.744 174.301 174.900 0.241 0.000 1.427 459 G CA -0.583 44.760 45.100 0.404 0.000 0.792 459 G HN -0.058 nan 8.290 nan 0.000 0.498 460 K N -0.144 120.315 120.400 0.098 0.000 2.057 460 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 460 K C 2.375 178.928 176.600 -0.078 0.000 1.050 460 K CA 1.831 58.127 56.287 0.015 0.000 0.935 460 K CB -0.017 32.480 32.500 -0.005 0.000 0.715 460 K HN 0.653 nan 8.250 nan 0.000 0.439 461 E N -0.199 119.869 120.200 -0.220 0.000 2.204 461 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 461 E C 1.458 177.730 176.600 -0.546 0.000 0.989 461 E CA 1.066 57.212 56.400 -0.423 0.000 0.824 461 E CB -0.312 29.046 29.700 -0.570 0.000 0.756 461 E HN 0.299 nan 8.360 nan 0.000 0.477 462 F N 1.964 121.908 119.950 -0.009 0.000 2.789 462 F HA 0.173 4.700 4.527 -0.000 0.000 0.300 462 F C 1.255 177.006 175.800 -0.082 0.000 1.132 462 F CA -0.161 57.825 58.000 -0.023 0.000 1.404 462 F CB -0.122 38.909 39.000 0.051 0.000 1.114 462 F HN -0.019 nan 8.300 nan 0.000 0.584 463 E N 1.640 121.861 120.200 0.035 0.000 2.414 463 E HA 0.189 4.539 4.350 -0.000 0.000 0.263 463 E C -0.940 175.604 176.600 -0.094 0.000 1.000 463 E CA -0.092 56.299 56.400 -0.014 0.000 0.914 463 E CB 0.867 30.572 29.700 0.009 0.000 0.948 463 E HN -0.053 nan 8.360 nan 0.000 0.444 464 V N 7.055 126.910 119.914 -0.098 0.000 2.334 464 V HA 0.289 4.409 4.120 -0.000 0.000 0.281 464 V C -2.223 173.857 176.094 -0.023 0.000 1.016 464 V CA -1.949 60.277 62.300 -0.123 0.000 0.832 464 V CB 1.198 32.960 31.823 -0.100 0.000 0.999 464 V HN 0.765 nan 8.190 nan 0.000 0.439 465 P HA 0.177 nan 4.420 nan 0.000 0.271 465 P C -0.615 176.844 177.300 0.265 0.000 1.216 465 P CA -0.307 62.893 63.100 0.168 0.000 0.776 465 P CB 0.713 32.603 31.700 0.317 0.000 0.881 466 L N 4.851 126.190 121.223 0.193 0.000 2.292 466 L HA 0.436 4.776 4.340 -0.000 0.000 0.284 466 L C -0.881 176.077 176.870 0.147 0.000 1.065 466 L CA 0.069 55.026 54.840 0.194 0.000 0.806 466 L CB 0.017 42.169 42.059 0.155 0.000 1.175 466 L HN 0.245 nan 8.230 nan 0.000 0.431 467 I N 5.439 126.088 120.570 0.131 0.000 2.389 467 I HA 0.423 4.593 4.170 -0.000 0.000 0.288 467 I C -0.263 175.862 176.117 0.014 0.000 0.999 467 I CA -0.695 60.638 61.300 0.054 0.000 1.129 467 I CB 1.231 39.258 38.000 0.046 0.000 1.288 467 I HN 0.588 nan 8.210 nan 0.000 0.444 468 R N 7.549 128.048 120.500 -0.002 0.000 2.196 468 R HA 0.698 5.038 4.340 -0.000 0.000 0.340 468 R C -0.953 175.357 176.300 0.017 0.000 1.043 468 R CA -0.236 55.849 56.100 -0.026 0.000 0.883 468 R CB 0.837 31.118 30.300 -0.031 0.000 1.078 468 R HN 0.532 nan 8.270 nan 0.000 0.462 469 I N 1.846 122.427 120.570 0.018 0.000 2.607 469 I HA 0.641 4.810 4.170 -0.000 0.000 0.290 469 I C 0.262 176.386 176.117 0.012 0.000 1.129 469 I CA -0.638 60.753 61.300 0.153 0.000 1.042 469 I CB 2.399 40.540 38.000 0.235 0.000 1.242 469 I HN 0.868 nan 8.210 nan 0.000 0.421 470 G N 4.684 113.439 108.800 -0.073 0.000 2.334 470 G HA2 0.174 4.134 3.960 -0.000 0.000 0.315 470 G HA3 0.174 4.134 3.960 -0.000 0.000 0.315 470 G C -2.107 172.598 174.900 -0.324 0.000 1.284 470 G CA -0.803 43.999 45.100 -0.497 0.000 0.985 470 G HN 0.600 nan 8.290 nan 0.000 0.504 471 F N 1.746 121.394 119.950 -0.504 0.000 2.591 471 F HA 0.797 5.324 4.527 -0.000 0.000 0.309 471 F C -2.356 173.190 175.800 -0.422 0.000 1.098 471 F CA -1.971 55.695 58.000 -0.557 0.000 0.937 471 F CB 2.713 41.372 39.000 -0.568 0.000 1.250 471 F HN 0.509 nan 8.300 nan 0.000 0.447 472 P HA 0.415 nan 4.420 nan 0.000 0.282 472 P C -1.033 175.582 177.300 -1.140 0.000 1.249 472 P CA -0.168 61.854 63.100 -1.798 0.000 0.806 472 P CB 2.088 32.249 31.700 -2.564 0.000 0.984 473 I N 2.956 123.145 120.570 -0.635 0.000 2.382 473 I HA 0.235 4.404 4.170 -0.000 0.000 0.286 473 I C 0.211 176.106 176.117 -0.372 0.000 1.002 473 I CA -0.478 60.564 61.300 -0.429 0.000 1.135 473 I CB 0.981 38.897 38.000 -0.139 0.000 1.288 473 I HN 0.198 nan 8.210 nan 0.000 0.448 474 F N 2.309 122.122 119.950 -0.229 0.000 2.746 474 F HA 0.070 4.596 4.527 -0.000 0.000 0.313 474 F C 1.637 177.367 175.800 -0.116 0.000 1.095 474 F CA -0.411 57.470 58.000 -0.198 0.000 1.224 474 F CB -0.118 38.747 39.000 -0.225 0.000 1.060 474 F HN 0.477 nan 8.300 nan 0.000 0.584 475 D N -0.871 119.562 120.400 0.055 0.000 2.340 475 D HA 0.100 4.740 4.640 -0.000 0.000 0.217 475 D C 0.586 176.927 176.300 0.068 0.000 1.081 475 D CA 0.284 54.314 54.000 0.051 0.000 0.842 475 D CB 0.276 41.072 40.800 -0.007 0.000 0.934 475 D HN -0.083 nan 8.370 nan 0.000 0.511 476 R N -0.155 120.395 120.500 0.084 0.000 2.837 476 R HA 0.419 4.759 4.340 -0.000 0.000 0.271 476 R C -0.646 175.763 176.300 0.181 0.000 0.993 476 R CA -0.591 55.573 56.100 0.106 0.000 0.931 476 R CB 1.174 31.502 30.300 0.046 0.000 1.206 476 R HN 0.246 nan 8.270 nan 0.000 0.474 477 H N 1.667 120.688 119.070 -0.082 0.000 2.463 477 H HA 0.243 4.799 4.556 -0.000 0.000 0.332 477 H C -0.111 175.119 175.328 -0.163 0.000 1.127 477 H CA -0.565 55.336 56.048 -0.246 0.000 1.238 477 H CB 1.135 30.697 29.762 -0.333 0.000 1.478 477 H HN 0.613 nan 8.280 nan 0.000 0.499 478 H N 1.511 120.713 119.070 0.220 0.000 2.921 478 H HA -0.176 4.379 4.556 -0.000 0.000 0.281 478 H C 1.080 176.483 175.328 0.125 0.000 1.165 478 H CA 0.499 56.674 56.048 0.211 0.000 1.151 478 H CB -1.433 28.405 29.762 0.127 0.000 1.311 478 H HN 0.668 nan 8.280 nan 0.000 0.361 479 L N 0.721 122.070 121.223 0.210 0.000 2.313 479 L HA -0.094 4.246 4.340 -0.000 0.000 0.214 479 L C 2.702 179.746 176.870 0.290 0.000 1.119 479 L CA 1.223 56.177 54.840 0.190 0.000 0.809 479 L CB -0.399 41.757 42.059 0.162 0.000 0.933 479 L HN 0.470 nan 8.230 nan 0.000 0.449 480 H N 0.055 119.196 119.070 0.118 0.000 2.567 480 H HA -0.058 4.498 4.556 -0.000 0.000 0.276 480 H C 1.529 177.063 175.328 0.343 0.000 1.016 480 H CA 0.430 56.590 56.048 0.188 0.000 1.186 480 H CB -0.287 29.373 29.762 -0.170 0.000 1.351 480 H HN 0.343 nan 8.280 nan 0.000 0.605 481 R N 0.612 120.972 120.500 -0.232 0.000 2.310 481 R HA 0.154 4.494 4.340 -0.000 0.000 0.202 481 R C 0.447 176.734 176.300 -0.022 0.000 0.933 481 R CA -0.055 55.934 56.100 -0.186 0.000 1.054 481 R CB 0.461 30.641 30.300 -0.201 0.000 0.985 481 R HN 0.091 nan 8.270 nan 0.000 0.489 482 S N 0.299 116.010 115.700 0.019 0.000 2.617 482 S HA 0.180 4.650 4.470 -0.000 0.000 0.259 482 S C 0.241 174.695 174.600 -0.242 0.000 1.301 482 S CA 0.030 58.143 58.200 -0.145 0.000 0.984 482 S CB 1.354 64.375 63.200 -0.299 0.000 0.954 482 S HN 0.046 nan 8.310 nan 0.000 0.572 483 T N 0.875 115.259 114.554 -0.283 0.000 2.848 483 T HA 0.460 4.810 4.350 -0.000 0.000 0.285 483 T C 0.871 175.389 174.700 -0.302 0.000 0.995 483 T CA -0.739 61.213 62.100 -0.247 0.000 0.970 483 T CB 1.593 70.373 68.868 -0.147 0.000 0.976 483 T HN 0.714 nan 8.240 nan 0.000 0.441 484 T N -0.051 114.344 114.554 -0.264 0.000 2.969 484 T HA 0.346 4.696 4.350 -0.000 0.000 0.250 484 T C 0.688 175.277 174.700 -0.184 0.000 1.021 484 T CA -0.210 61.771 62.100 -0.198 0.000 1.003 484 T CB -0.021 68.817 68.868 -0.050 0.000 1.040 484 T HN 0.373 nan 8.240 nan 0.000 0.492 485 L N 2.025 123.140 121.223 -0.179 0.000 2.418 485 L HA 0.586 4.926 4.340 -0.000 0.000 0.265 485 L C 1.389 178.106 176.870 -0.254 0.000 1.143 485 L CA 0.244 54.952 54.840 -0.220 0.000 0.809 485 L CB 0.064 41.975 42.059 -0.247 0.000 1.124 485 L HN 0.632 nan 8.230 nan 0.000 0.456 486 G N 0.776 109.389 108.800 -0.311 0.000 2.750 486 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.228 486 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.228 486 G C -0.058 174.678 174.900 -0.274 0.000 1.367 486 G CA 0.171 45.047 45.100 -0.373 0.000 0.871 486 G HN 0.539 nan 8.290 nan 0.000 0.560 487 Y N 0.444 120.673 120.300 -0.118 0.000 2.200 487 Y HA 0.021 4.571 4.550 -0.000 0.000 0.290 487 Y C 2.869 178.697 175.900 -0.120 0.000 1.137 487 Y CA 1.998 60.033 58.100 -0.108 0.000 1.163 487 Y CB -0.611 37.816 38.460 -0.054 0.000 0.988 487 Y HN 0.816 nan 8.280 nan 0.000 0.518 488 E N -0.118 120.100 120.200 0.031 0.000 2.077 488 E HA -0.149 4.200 4.350 -0.000 0.000 0.193 488 E C 2.543 179.092 176.600 -0.085 0.000 0.989 488 E CA 1.282 57.669 56.400 -0.021 0.000 0.800 488 E CB -0.568 29.111 29.700 -0.035 0.000 0.746 488 E HN 0.435 nan 8.360 nan 0.000 0.452 489 G N 0.686 109.402 108.800 -0.140 0.000 2.418 489 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 489 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 489 G C 1.693 176.452 174.900 -0.233 0.000 1.158 489 G CA 0.979 45.964 45.100 -0.191 0.000 0.771 489 G HN 0.435 nan 8.290 nan 0.000 0.545 490 A N 0.715 123.355 122.820 -0.300 0.000 1.902 490 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 490 A C 2.479 179.965 177.584 -0.162 0.000 1.181 490 A CA 1.885 53.615 52.037 -0.512 0.000 0.623 490 A CB -0.383 18.297 19.000 -0.533 0.000 0.818 490 A HN 0.387 nan 8.150 nan 0.000 0.443 491 M N -1.127 118.438 119.600 -0.058 0.000 2.117 491 M HA -0.230 4.250 4.480 -0.000 0.000 0.262 491 M C 2.480 178.776 176.300 -0.006 0.000 1.065 491 M CA 1.737 57.041 55.300 0.006 0.000 1.114 491 M CB -0.492 32.110 32.600 0.004 0.000 1.361 491 M HN 0.502 nan 8.290 nan 0.000 0.408 492 Q N 0.322 120.092 119.800 -0.049 0.000 2.084 492 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 492 Q C 2.020 177.996 176.000 -0.040 0.000 0.978 492 Q CA 1.303 57.072 55.803 -0.056 0.000 0.844 492 Q CB -0.133 28.546 28.738 -0.098 0.000 0.898 492 Q HN 0.551 nan 8.270 nan 0.000 0.426 493 I N 0.509 121.054 120.570 -0.042 0.000 2.315 493 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 493 I C 2.340 178.510 176.117 0.089 0.000 1.117 493 I CA 0.737 62.045 61.300 0.013 0.000 1.404 493 I CB -0.154 37.854 38.000 0.013 0.000 1.071 493 I HN 0.238 nan 8.210 nan 0.000 0.419 494 L N 0.217 121.537 121.223 0.163 0.000 2.046 494 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 494 L C 2.548 179.442 176.870 0.040 0.000 1.077 494 L CA 1.745 56.665 54.840 0.134 0.000 0.747 494 L CB -0.374 41.791 42.059 0.177 0.000 0.896 494 L HN 0.199 nan 8.230 nan 0.000 0.432 495 T N -1.195 113.373 114.554 0.024 0.000 2.746 495 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 495 T C 1.736 176.420 174.700 -0.026 0.000 1.039 495 T CA 1.871 63.969 62.100 -0.003 0.000 1.142 495 T CB -0.464 68.399 68.868 -0.008 0.000 0.866 495 T HN 0.416 nan 8.240 nan 0.000 0.444 496 T N 2.429 116.965 114.554 -0.030 0.000 2.746 496 T HA 0.060 4.410 4.350 -0.000 0.000 0.267 496 T C 1.999 176.654 174.700 -0.076 0.000 1.039 496 T CA 0.875 62.946 62.100 -0.049 0.000 1.142 496 T CB -0.439 68.403 68.868 -0.043 0.000 0.866 496 T HN 0.246 nan 8.240 nan 0.000 0.444 497 L N 0.576 121.760 121.223 -0.065 0.000 2.056 497 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 497 L C 2.723 179.551 176.870 -0.071 0.000 1.078 497 L CA 0.827 55.618 54.840 -0.081 0.000 0.749 497 L CB -0.688 41.322 42.059 -0.083 0.000 0.901 497 L HN 0.146 nan 8.230 nan 0.000 0.433 498 V N 0.186 120.080 119.914 -0.033 0.000 2.358 498 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 498 V C 1.898 177.938 176.094 -0.089 0.000 1.047 498 V CA 2.279 64.571 62.300 -0.013 0.000 1.035 498 V CB -0.413 31.428 31.823 0.029 0.000 0.658 498 V HN 0.529 nan 8.190 nan 0.000 0.452 499 N N -0.379 118.264 118.700 -0.094 0.000 2.309 499 N HA -0.125 4.615 4.740 -0.000 0.000 0.182 499 N C 1.938 177.361 175.510 -0.145 0.000 1.018 499 N CA 1.282 54.262 53.050 -0.118 0.000 0.876 499 N CB -0.111 38.326 38.487 -0.084 0.000 0.972 499 N HN 0.429 nan 8.380 nan 0.000 0.434 500 S N 0.820 116.410 115.700 -0.183 0.000 2.368 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.224 500 S C 1.915 176.331 174.600 -0.306 0.000 1.029 500 S CA 0.677 58.717 58.200 -0.267 0.000 0.988 500 S CB -0.059 62.882 63.200 -0.433 0.000 0.838 500 S HN 0.246 nan 8.310 nan 0.000 0.462 501 I N 1.275 121.665 120.570 -0.299 0.000 2.252 501 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 501 I C 1.965 178.018 176.117 -0.107 0.000 1.102 501 I CA 1.053 62.296 61.300 -0.095 0.000 1.385 501 I CB -0.282 37.731 38.000 0.022 0.000 1.064 501 I HN 0.226 nan 8.210 nan 0.000 0.414 502 L N 0.112 121.189 121.223 -0.243 0.000 2.093 502 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 502 L C 2.572 179.310 176.870 -0.220 0.000 1.085 502 L CA 0.985 55.605 54.840 -0.368 0.000 0.755 502 L CB -0.498 41.300 42.059 -0.435 0.000 0.904 502 L HN 0.220 nan 8.230 nan 0.000 0.435 503 E N 0.730 120.848 120.200 -0.137 0.000 2.077 503 E HA -0.254 4.095 4.350 -0.000 0.000 0.193 503 E C 2.182 178.765 176.600 -0.027 0.000 0.989 503 E CA 1.302 57.657 56.400 -0.075 0.000 0.800 503 E CB -0.028 29.639 29.700 -0.055 0.000 0.746 503 E HN 0.086 nan 8.360 nan 0.000 0.452 504 R N 0.035 120.547 120.500 0.020 0.000 2.075 504 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 504 R C 2.278 178.588 176.300 0.016 0.000 1.126 504 R CA 1.315 57.461 56.100 0.076 0.000 0.963 504 R CB -1.094 29.358 30.300 0.253 0.000 0.858 504 R HN 0.366 nan 8.270 nan 0.000 0.435 505 L N 0.765 121.970 121.223 -0.031 0.000 2.046 505 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 505 L C 1.279 178.126 176.870 -0.038 0.000 1.077 505 L CA 2.125 56.926 54.840 -0.064 0.000 0.747 505 L CB -0.853 41.099 42.059 -0.179 0.000 0.896 505 L HN 0.168 nan 8.230 nan 0.000 0.432 506 D N -0.490 119.883 120.400 -0.044 0.000 2.117 506 D HA -0.237 4.403 4.640 -0.000 0.000 0.197 506 D C 2.117 178.490 176.300 0.120 0.000 0.987 506 D CA 1.494 55.533 54.000 0.066 0.000 0.829 506 D CB -0.007 40.799 40.800 0.010 0.000 0.961 506 D HN 0.609 nan 8.370 nan 0.000 0.460 507 E N 0.680 120.904 120.200 0.040 0.000 2.077 507 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 507 E C 1.633 178.224 176.600 -0.014 0.000 0.989 507 E CA 1.000 57.407 56.400 0.012 0.000 0.800 507 E CB 0.060 29.765 29.700 0.009 0.000 0.746 507 E HN 0.318 nan 8.360 nan 0.000 0.452 508 E N -0.431 119.760 120.200 -0.014 0.000 2.204 508 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 508 E C 1.756 178.324 176.600 -0.053 0.000 0.989 508 E CA 1.531 57.910 56.400 -0.035 0.000 0.824 508 E CB 0.072 29.750 29.700 -0.037 0.000 0.756 508 E HN 0.417 nan 8.360 nan 0.000 0.477 509 T N -1.936 112.601 114.554 -0.029 0.000 3.086 509 T HA 0.173 4.522 4.350 -0.000 0.000 0.250 509 T C 1.507 176.099 174.700 -0.179 0.000 1.074 509 T CA -0.338 61.724 62.100 -0.064 0.000 0.988 509 T CB 0.272 69.143 68.868 0.006 0.000 0.988 509 T HN -0.048 nan 8.240 nan 0.000 0.530 510 R N 1.363 121.707 120.500 -0.261 0.000 2.237 510 R HA 0.144 4.484 4.340 -0.000 0.000 0.219 510 R C 1.296 177.413 176.300 -0.306 0.000 1.080 510 R CA 0.365 56.157 56.100 -0.514 0.000 0.995 510 R CB -0.562 29.544 30.300 -0.323 0.000 0.875 510 R HN 0.495 nan 8.270 nan 0.000 0.462 511 G N 1.153 109.849 108.800 -0.173 0.000 2.340 511 G HA2 0.101 4.061 3.960 -0.000 0.000 0.245 511 G HA3 0.101 4.061 3.960 -0.000 0.000 0.245 511 G C -0.398 174.449 174.900 -0.089 0.000 1.294 511 G CA -0.483 44.553 45.100 -0.106 0.000 0.896 511 G HN 0.160 nan 8.290 nan 0.000 0.522 512 M N 2.162 121.722 119.600 -0.066 0.000 2.268 512 M HA 0.139 4.619 4.480 -0.000 0.000 0.349 512 M C 1.068 177.367 176.300 -0.002 0.000 1.485 512 M CA 0.582 55.861 55.300 -0.036 0.000 1.094 512 M CB 0.167 32.750 32.600 -0.029 0.000 1.843 512 M HN 0.830 nan 8.290 nan 0.000 0.460 513 Q N 2.295 122.107 119.800 0.021 0.000 2.461 513 Q HA -0.310 4.030 4.340 -0.000 0.000 0.273 513 Q C -0.574 175.463 176.000 0.061 0.000 1.163 513 Q CA 0.937 56.769 55.803 0.047 0.000 0.929 513 Q CB -1.126 27.631 28.738 0.031 0.000 1.334 513 Q HN 0.955 nan 8.270 nan 0.000 0.499 514 A N -1.674 121.187 122.820 0.068 0.000 1.878 514 A HA 0.188 4.508 4.320 -0.000 0.000 0.201 514 A C 1.266 178.935 177.584 0.142 0.000 1.831 514 A CA 0.794 52.879 52.037 0.081 0.000 1.050 514 A CB 0.195 19.215 19.000 0.033 0.000 1.063 514 A HN 0.691 nan 8.150 nan 0.000 0.588 515 T N -1.576 112.998 114.554 0.033 0.000 3.043 515 T HA 0.124 4.474 4.350 -0.000 0.000 0.272 515 T C 0.610 175.141 174.700 -0.282 0.000 0.990 515 T CA 0.836 62.863 62.100 -0.121 0.000 0.897 515 T CB 0.081 68.874 68.868 -0.123 0.000 1.111 515 T HN 0.363 nan 8.240 nan 0.000 0.529 516 D N 1.521 121.858 120.400 -0.106 0.000 2.371 516 D HA -0.138 4.502 4.640 -0.000 0.000 0.221 516 D C 1.616 177.911 176.300 -0.009 0.000 0.986 516 D CA 0.369 54.329 54.000 -0.066 0.000 0.899 516 D CB -0.795 39.977 40.800 -0.047 0.000 0.902 516 D HN 0.703 nan 8.370 nan 0.000 0.530 517 Y N 0.144 120.475 120.300 0.052 0.000 2.352 517 Y HA 0.012 4.562 4.550 -0.000 0.000 0.292 517 Y C 1.551 177.492 175.900 0.067 0.000 1.136 517 Y CA 1.090 59.221 58.100 0.051 0.000 1.227 517 Y CB -1.062 37.419 38.460 0.034 0.000 0.991 517 Y HN -0.025 nan 8.280 nan 0.000 0.545 518 N N -0.316 118.075 118.700 -0.515 0.000 2.230 518 N HA -0.073 4.667 4.740 -0.000 0.000 0.202 518 N C -0.383 175.075 175.510 -0.086 0.000 1.119 518 N CA -0.126 52.776 53.050 -0.246 0.000 0.851 518 N CB -0.570 37.689 38.487 -0.381 0.000 0.990 518 N HN 0.424 nan 8.380 nan 0.000 0.497 519 H N 0.552 119.531 119.070 -0.152 0.000 2.998 519 H HA 0.196 4.752 4.556 -0.000 0.000 0.241 519 H C -0.843 174.454 175.328 -0.052 0.000 1.852 519 H CA -0.556 55.432 56.048 -0.099 0.000 1.419 519 H CB -0.882 28.828 29.762 -0.087 0.000 1.793 519 H HN 0.086 nan 8.280 nan 0.000 0.553 520 D N 2.345 122.662 120.400 -0.139 0.000 2.424 520 D HA -0.069 4.571 4.640 -0.000 0.000 0.244 520 D C 1.455 177.664 176.300 -0.153 0.000 1.134 520 D CA -0.188 53.752 54.000 -0.101 0.000 0.881 520 D CB 1.136 41.919 40.800 -0.027 0.000 1.191 520 D HN 0.438 nan 8.370 nan 0.000 0.445 521 L N 3.267 124.439 121.223 -0.086 0.000 2.056 521 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 521 L C 0.160 176.992 176.870 -0.065 0.000 1.078 521 L CA 1.453 56.246 54.840 -0.079 0.000 0.749 521 L CB 0.323 42.360 42.059 -0.036 0.000 0.901 521 L HN 0.203 nan 8.230 nan 0.000 0.433 522 V N 1.850 121.745 119.914 -0.031 0.000 2.384 522 V HA 0.498 4.618 4.120 -0.000 0.000 0.287 522 V C 0.100 176.211 176.094 0.027 0.000 1.020 522 V CA -0.640 61.656 62.300 -0.006 0.000 0.850 522 V CB 1.275 33.106 31.823 0.013 0.000 0.987 522 V HN 0.278 nan 8.190 nan 0.000 0.436 523 R N 0.000 120.519 120.500 0.031 0.000 2.786 523 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 523 R CA 0.000 56.178 56.100 0.130 0.000 0.921 523 R CB 0.000 30.243 30.300 -0.095 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535