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 3ogl_1_D DATA FIRST_RESID 12 DATA SEQUENCE SCVATVDDVI EQVMTYITDP KDRDSASLVC RRWFKIDSET REHVTMALCY DATA SEQUENCE TATPDRLSRR FPNLRSLKLK GKPRAAMFNL IPENWGGYVT PWVTEISNNL DATA SEQUENCE RQLKSVHFRR MIVSDLDLDR LAKARADDLE TLKLDKCSGF TTDGLLSIVT DATA SEQUENCE HCRKIKTLLM EESSFSEKDG KWLHELAQHN TSLEVLNFYM TEFAKISPKD DATA SEQUENCE LETIARNCRS LVSVKVGDFE ILELVGFFKA AANLEEFCGG SLNEDIGMPE DATA SEQUENCE KYMNLVFPRK LCRLGLSYMG PNEMPILFPF AAQIRKLDLL YALLETEDHC DATA SEQUENCE TLIQKCPNLE VLETRNVIGD RGLEVLAQYC KQLKRLRIER GADEQGMEDE DATA SEQUENCE EGLVSQRGLI ALAQGCQELE YMAVYVSDIT NESLESIGTY LKNLCDFRLV DATA SEQUENCE LLDREERITD LPLDNGVRSL LIGCKKLRRF AFYLRQGGLT DLGLSYIGQY DATA SEQUENCE SPNVRWMLLG YVGESDEGLM EFSRGCPNLQ KLEMRGCCFS ERAIAAAVTK DATA SEQUENCE LPSLRYLWVQ GYRASMTGQD LMQMARPYWN IELIPSRRXX XXXXXXXXXX DATA SEQUENCE XEHPAHILAY YSLAGQRTDC PTTVRVLKEP I 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 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.604 174.600 0.007 0.000 1.055 12 S CA 0.000 58.203 58.200 0.006 0.000 1.107 12 S CB 0.000 63.203 63.200 0.005 0.000 0.593 13 C N 3.388 122.692 119.300 0.008 0.000 2.401 13 C HA 0.826 5.870 4.460 0.974 0.000 0.356 13 C C 0.683 175.679 174.990 0.010 0.000 1.192 13 C CA -0.250 58.773 59.018 0.009 0.000 2.028 13 C CB 1.056 28.802 27.740 0.010 0.000 2.344 13 C HN 0.973 nan 8.230 nan 0.000 0.525 14 V N 3.441 123.362 119.914 0.010 0.000 2.752 14 V HA 0.245 4.949 4.120 0.974 0.000 0.306 14 V C 0.908 177.010 176.094 0.014 0.000 1.099 14 V CA 0.415 62.722 62.300 0.011 0.000 1.240 14 V CB -0.444 31.387 31.823 0.012 0.000 0.887 14 V HN 1.048 nan 8.190 nan 0.000 0.499 15 A N 4.606 127.433 122.820 0.013 0.000 2.320 15 A HA 0.599 5.504 4.320 0.974 0.000 0.287 15 A C 0.590 178.188 177.584 0.022 0.000 1.181 15 A CA -0.363 51.683 52.037 0.015 0.000 0.831 15 A CB 0.016 19.021 19.000 0.009 0.000 1.102 15 A HN 0.928 nan 8.150 nan 0.000 0.513 16 T N 1.388 115.961 114.554 0.030 0.000 2.849 16 T HA 0.346 5.281 4.350 0.974 0.000 0.276 16 T C 1.706 176.440 174.700 0.056 0.000 0.971 16 T CA -0.247 61.880 62.100 0.046 0.000 0.949 16 T CB 0.977 69.879 68.868 0.056 0.000 1.093 16 T HN 0.384 nan 8.240 nan 0.000 0.545 17 V N 0.180 120.148 119.914 0.089 0.000 2.343 17 V HA -0.142 4.562 4.120 0.974 0.000 0.247 17 V C 2.210 178.367 176.094 0.104 0.000 1.051 17 V CA 1.978 64.348 62.300 0.116 0.000 1.036 17 V CB -0.952 31.010 31.823 0.231 0.000 0.654 17 V HN 0.933 nan 8.190 nan 0.000 0.451 18 D N 0.189 120.670 120.400 0.136 0.000 2.354 18 D HA -0.177 5.047 4.640 0.974 0.000 0.216 18 D C 1.345 177.675 176.300 0.050 0.000 0.970 18 D CA 0.938 55.009 54.000 0.118 0.000 0.905 18 D CB -0.112 40.763 40.800 0.126 0.000 0.903 18 D HN 0.438 nan 8.370 nan 0.000 0.508 19 D N -0.700 119.720 120.400 0.034 0.000 2.342 19 D HA 0.046 5.270 4.640 0.974 0.000 0.221 19 D C 0.788 177.083 176.300 -0.008 0.000 1.101 19 D CA 0.100 54.108 54.000 0.014 0.000 0.837 19 D CB 1.462 42.272 40.800 0.015 0.000 0.938 19 D HN 0.123 nan 8.370 nan 0.000 0.508 20 V N 0.163 120.063 119.914 -0.024 0.000 3.643 20 V HA 0.023 4.728 4.120 0.974 0.000 0.271 20 V C 1.175 177.210 176.094 -0.098 0.000 1.698 20 V CA -0.079 62.190 62.300 -0.051 0.000 1.113 20 V CB 0.657 32.455 31.823 -0.042 0.000 0.930 20 V HN -0.057 nan 8.190 nan 0.000 0.395 21 I N 1.021 121.511 120.570 -0.133 0.000 2.353 21 I HA -0.049 4.705 4.170 0.974 0.000 0.248 21 I C 2.091 178.064 176.117 -0.241 0.000 1.119 21 I CA 2.020 63.154 61.300 -0.277 0.000 1.417 21 I CB -0.136 37.583 38.000 -0.469 0.000 1.078 21 I HN 0.384 nan 8.210 nan 0.000 0.421 22 E N -0.002 120.106 120.200 -0.152 0.000 2.171 22 E HA -0.280 4.655 4.350 0.974 0.000 0.197 22 E C 1.977 178.541 176.600 -0.061 0.000 0.997 22 E CA 1.176 57.517 56.400 -0.099 0.000 0.810 22 E CB -0.197 29.471 29.700 -0.053 0.000 0.738 22 E HN 0.658 nan 8.360 nan 0.000 0.467 23 Q N 0.120 119.886 119.800 -0.056 0.000 2.061 23 Q HA -0.052 4.873 4.340 0.974 0.000 0.195 23 Q C 2.538 178.550 176.000 0.020 0.000 0.967 23 Q CA 0.765 56.565 55.803 -0.006 0.000 0.829 23 Q CB 0.098 28.815 28.738 -0.036 0.000 0.900 23 Q HN 0.189 nan 8.270 nan 0.000 0.450 24 V N 1.373 121.233 119.914 -0.091 0.000 2.343 24 V HA -0.291 4.413 4.120 0.974 0.000 0.247 24 V C 2.410 178.519 176.094 0.024 0.000 1.051 24 V CA 1.803 64.034 62.300 -0.115 0.000 1.036 24 V CB -0.575 31.145 31.823 -0.172 0.000 0.654 24 V HN 0.326 nan 8.190 nan 0.000 0.451 25 M N 1.616 121.178 119.600 -0.064 0.000 2.143 25 M HA -0.194 4.871 4.480 0.974 0.000 0.258 25 M C 2.080 178.403 176.300 0.038 0.000 1.071 25 M CA 2.464 57.727 55.300 -0.062 0.000 1.088 25 M CB -0.805 31.716 32.600 -0.131 0.000 1.360 25 M HN 0.572 nan 8.290 nan 0.000 0.404 26 T N -2.692 111.919 114.554 0.095 0.000 3.215 26 T HA -0.051 4.883 4.350 0.974 0.000 0.254 26 T C 0.643 175.335 174.700 -0.013 0.000 1.149 26 T CA 0.563 62.687 62.100 0.040 0.000 1.042 26 T CB -0.658 68.216 68.868 0.010 0.000 0.966 26 T HN 0.474 nan 8.240 nan 0.000 0.534 27 Y N 0.446 120.720 120.300 -0.043 0.000 2.481 27 Y HA 0.509 5.643 4.550 0.974 0.000 0.247 27 Y C 0.643 176.529 175.900 -0.023 0.000 1.151 27 Y CA -1.725 56.356 58.100 -0.030 0.000 1.238 27 Y CB 0.300 38.743 38.460 -0.029 0.000 1.179 27 Y HN 0.284 nan 8.280 nan 0.000 0.524 28 I N 0.101 120.734 120.570 0.105 0.000 2.304 28 I HA 0.133 4.887 4.170 0.974 0.000 0.291 28 I C 1.137 177.268 176.117 0.023 0.000 1.018 28 I CA 0.065 61.401 61.300 0.060 0.000 1.260 28 I CB 1.611 39.644 38.000 0.055 0.000 1.390 28 I HN -0.040 nan 8.210 nan 0.000 0.475 29 T N 2.358 116.919 114.554 0.012 0.000 3.038 29 T HA -0.005 4.929 4.350 0.974 0.000 0.244 29 T C 0.673 175.367 174.700 -0.010 0.000 1.016 29 T CA 0.054 62.145 62.100 -0.015 0.000 1.098 29 T CB 0.053 68.902 68.868 -0.031 0.000 0.954 29 T HN 0.589 nan 8.240 nan 0.000 0.469 30 D N 2.250 122.654 120.400 0.007 0.000 2.472 30 D HA 0.094 5.319 4.640 0.974 0.000 0.248 30 D C -1.714 174.598 176.300 0.020 0.000 1.174 30 D CA -1.800 52.207 54.000 0.012 0.000 0.883 30 D CB 1.634 42.450 40.800 0.025 0.000 1.149 30 D HN 0.141 nan 8.370 nan 0.000 0.488 31 P HA -0.124 nan 4.420 nan 0.000 0.221 31 P C 0.852 178.181 177.300 0.047 0.000 1.145 31 P CA 1.014 64.127 63.100 0.023 0.000 0.795 31 P CB 0.311 32.020 31.700 0.015 0.000 0.775 32 K N -0.890 119.540 120.400 0.049 0.000 2.379 32 K HA 0.011 4.916 4.320 0.974 0.000 0.194 32 K C 1.235 177.877 176.600 0.071 0.000 1.031 32 K CA 0.843 57.166 56.287 0.061 0.000 1.037 32 K CB -0.325 32.207 32.500 0.054 0.000 0.824 32 K HN -0.038 nan 8.250 nan 0.000 0.516 33 D N -0.610 119.832 120.400 0.070 0.000 2.324 33 D HA 0.026 5.251 4.640 0.974 0.000 0.212 33 D C 1.564 177.928 176.300 0.107 0.000 0.984 33 D CA 0.211 54.263 54.000 0.086 0.000 0.885 33 D CB 0.341 41.186 40.800 0.076 0.000 0.996 33 D HN -0.047 nan 8.370 nan 0.000 0.505 34 R N 1.146 121.702 120.500 0.093 0.000 2.081 34 R HA -0.111 4.813 4.340 0.974 0.000 0.235 34 R C 1.690 178.075 176.300 0.141 0.000 1.131 34 R CA 0.925 57.090 56.100 0.108 0.000 0.960 34 R CB -0.914 29.434 30.300 0.080 0.000 0.856 34 R HN 0.266 nan 8.270 nan 0.000 0.436 35 D N 0.165 120.642 120.400 0.128 0.000 2.127 35 D HA -0.148 5.076 4.640 0.974 0.000 0.190 35 D C 1.741 178.126 176.300 0.142 0.000 1.000 35 D CA 2.457 56.540 54.000 0.138 0.000 0.839 35 D CB 0.076 40.942 40.800 0.111 0.000 0.955 35 D HN 0.136 nan 8.370 nan 0.000 0.446 36 S N 0.036 115.811 115.700 0.126 0.000 2.348 36 S HA -0.174 4.880 4.470 0.974 0.000 0.221 36 S C 2.197 176.897 174.600 0.166 0.000 1.033 36 S CA 1.108 59.380 58.200 0.121 0.000 1.010 36 S CB -0.713 62.548 63.200 0.102 0.000 0.891 36 S HN 0.426 nan 8.310 nan 0.000 0.442 37 A N 2.157 125.111 122.820 0.223 0.000 1.986 37 A HA -0.153 4.752 4.320 0.974 0.000 0.220 37 A C 2.321 180.140 177.584 0.393 0.000 1.171 37 A CA 2.022 54.285 52.037 0.377 0.000 0.640 37 A CB -1.040 18.170 19.000 0.351 0.000 0.811 37 A HN 0.659 nan 8.150 nan 0.000 0.451 38 S N -1.090 114.779 115.700 0.282 0.000 2.515 38 S HA 0.122 5.177 4.470 0.974 0.000 0.231 38 S C 1.277 176.081 174.600 0.340 0.000 0.987 38 S CA 1.077 59.461 58.200 0.307 0.000 0.936 38 S CB -0.268 63.089 63.200 0.261 0.000 0.766 38 S HN 0.448 nan 8.310 nan 0.000 0.528 39 L N 1.278 122.631 121.223 0.218 0.000 2.766 39 L HA 0.307 5.232 4.340 0.974 0.000 0.242 39 L C 2.060 178.945 176.870 0.024 0.000 1.136 39 L CA 0.150 55.061 54.840 0.119 0.000 0.933 39 L CB 0.690 42.799 42.059 0.083 0.000 1.241 39 L HN 0.359 nan 8.230 nan 0.000 0.522 40 V N -1.624 118.276 119.914 -0.023 0.000 2.719 40 V HA 0.002 4.707 4.120 0.974 0.000 0.252 40 V C 0.705 176.649 176.094 -0.250 0.000 1.065 40 V CA 0.852 63.006 62.300 -0.244 0.000 1.086 40 V CB -0.198 31.247 31.823 -0.631 0.000 0.700 40 V HN 0.566 nan 8.190 nan 0.000 0.467 41 C N -2.404 116.827 119.300 -0.115 0.000 3.165 41 C HA 0.433 5.477 4.460 0.974 0.000 0.345 41 C C 1.205 176.255 174.990 0.101 0.000 1.367 41 C CA -0.370 58.617 59.018 -0.051 0.000 1.205 41 C CB 0.926 28.591 27.740 -0.126 0.000 1.447 41 C HN 0.380 nan 8.230 nan 0.000 0.451 42 R N 0.186 120.730 120.500 0.074 0.000 2.105 42 R HA -0.091 4.834 4.340 0.974 0.000 0.239 42 R C 2.493 178.944 176.300 0.252 0.000 1.135 42 R CA 1.936 58.109 56.100 0.122 0.000 0.967 42 R CB -0.230 30.099 30.300 0.049 0.000 0.861 42 R HN 0.705 nan 8.270 nan 0.000 0.442 43 R N -0.195 120.455 120.500 0.250 0.000 2.057 43 R HA -0.141 4.784 4.340 0.974 0.000 0.229 43 R C 1.888 178.403 176.300 0.359 0.000 1.136 43 R CA 1.488 57.757 56.100 0.282 0.000 0.952 43 R CB -0.209 30.255 30.300 0.272 0.000 0.848 43 R HN 0.198 nan 8.270 nan 0.000 0.430 44 W N 0.427 121.786 121.300 0.098 0.000 2.305 44 W HA -0.246 4.997 4.660 0.972 0.000 0.308 44 W C 2.076 178.661 176.519 0.109 0.000 1.226 44 W CA 1.154 58.553 57.345 0.090 0.000 1.253 44 W CB -1.141 28.371 29.460 0.087 0.000 1.146 44 W HN 0.144 nan 8.180 nan 0.000 0.507 45 F N 1.498 121.606 119.950 0.263 0.000 2.091 45 F HA -0.279 4.830 4.527 0.970 0.000 0.299 45 F C 2.400 178.255 175.800 0.091 0.000 1.103 45 F CA 2.618 60.705 58.000 0.144 0.000 1.228 45 F CB -0.612 38.440 39.000 0.086 0.000 0.984 45 F HN -0.187 nan 8.300 nan 0.000 0.477 46 K N 0.430 120.928 120.400 0.164 0.000 2.097 46 K HA -0.123 4.782 4.320 0.974 0.000 0.206 46 K C 2.111 178.665 176.600 -0.077 0.000 1.049 46 K CA 1.727 58.017 56.287 0.005 0.000 0.933 46 K CB -0.258 32.330 32.500 0.148 0.000 0.717 46 K HN 0.409 nan 8.250 nan 0.000 0.442 47 I N 0.833 121.392 120.570 -0.018 0.000 2.252 47 I HA -0.261 4.493 4.170 0.974 0.000 0.245 47 I C 2.114 178.193 176.117 -0.062 0.000 1.102 47 I CA 1.652 62.924 61.300 -0.047 0.000 1.385 47 I CB -0.424 37.528 38.000 -0.080 0.000 1.064 47 I HN 0.333 nan 8.210 nan 0.000 0.414 48 D N 0.449 120.810 120.400 -0.065 0.000 2.117 48 D HA -0.246 4.979 4.640 0.974 0.000 0.197 48 D C 2.255 178.547 176.300 -0.014 0.000 0.987 48 D CA 1.686 55.673 54.000 -0.023 0.000 0.829 48 D CB -0.003 40.809 40.800 0.020 0.000 0.961 48 D HN 0.168 nan 8.370 nan 0.000 0.460 49 S N -0.542 115.033 115.700 -0.209 0.000 2.374 49 S HA -0.237 4.818 4.470 0.974 0.000 0.227 49 S C 1.742 176.333 174.600 -0.014 0.000 1.037 49 S CA 1.548 59.607 58.200 -0.235 0.000 1.024 49 S CB -0.476 62.409 63.200 -0.524 0.000 0.861 49 S HN 0.431 nan 8.310 nan 0.000 0.456 50 E N -0.299 119.883 120.200 -0.031 0.000 2.474 50 E HA 0.040 4.974 4.350 0.974 0.000 0.194 50 E C 1.629 178.242 176.600 0.022 0.000 1.041 50 E CA 0.967 57.371 56.400 0.005 0.000 0.874 50 E CB 0.250 29.945 29.700 -0.008 0.000 0.914 50 E HN 0.855 nan 8.360 nan 0.000 0.498 51 T N -2.226 112.343 114.554 0.025 0.000 2.971 51 T HA 0.153 5.088 4.350 0.974 0.000 0.252 51 T C 0.919 175.629 174.700 0.017 0.000 1.022 51 T CA -0.510 61.598 62.100 0.014 0.000 0.980 51 T CB 0.190 69.054 68.868 -0.006 0.000 1.044 51 T HN -0.186 nan 8.240 nan 0.000 0.501 52 R N 2.185 122.717 120.500 0.054 0.000 2.502 52 R HA 0.122 5.047 4.340 0.974 0.000 0.292 52 R C 0.957 177.219 176.300 -0.064 0.000 0.998 52 R CA 0.586 56.672 56.100 -0.024 0.000 1.056 52 R CB 0.129 30.372 30.300 -0.095 0.000 0.939 52 R HN 0.449 nan 8.270 nan 0.000 0.411 53 E N 1.439 121.595 120.200 -0.074 0.000 2.244 53 E HA -0.011 4.924 4.350 0.974 0.000 0.196 53 E C -0.091 176.483 176.600 -0.044 0.000 0.939 53 E CA 0.204 56.577 56.400 -0.046 0.000 0.884 53 E CB 0.209 29.894 29.700 -0.024 0.000 0.850 53 E HN 0.510 nan 8.360 nan 0.000 0.481 54 H N 0.633 119.601 119.070 -0.171 0.000 2.529 54 H HA 0.457 5.597 4.556 0.974 0.000 0.348 54 H C -1.413 173.765 175.328 -0.250 0.000 1.079 54 H CA -0.480 55.464 56.048 -0.174 0.000 1.198 54 H CB 1.348 31.035 29.762 -0.125 0.000 1.521 54 H HN -0.185 nan 8.280 nan 0.000 0.514 55 V N 3.780 123.292 119.914 -0.670 0.000 2.962 55 V HA 0.380 5.085 4.120 0.974 0.000 0.313 55 V C -0.261 175.523 176.094 -0.517 0.000 1.099 55 V CA -0.650 61.370 62.300 -0.467 0.000 0.971 55 V CB 2.309 33.883 31.823 -0.416 0.000 1.028 55 V HN 0.901 nan 8.190 nan 0.000 0.430 56 T N 4.621 119.052 114.554 -0.206 0.000 2.881 56 T HA 0.547 5.482 4.350 0.974 0.000 0.291 56 T C -0.544 174.088 174.700 -0.113 0.000 0.990 56 T CA -0.362 61.647 62.100 -0.151 0.000 0.976 56 T CB 1.098 69.962 68.868 -0.008 0.000 0.970 56 T HN 0.478 nan 8.240 nan 0.000 0.438 57 M N 2.705 122.209 119.600 -0.160 0.000 2.088 57 M HA 0.424 5.488 4.480 0.974 0.000 0.346 57 M C 1.247 177.472 176.300 -0.124 0.000 1.111 57 M CA -0.782 54.446 55.300 -0.119 0.000 1.017 57 M CB 1.506 33.997 32.600 -0.182 0.000 1.568 57 M HN 0.777 nan 8.290 nan 0.000 0.445 58 A N 4.449 127.227 122.820 -0.071 0.000 2.119 58 A HA 0.158 5.063 4.320 0.974 0.000 0.217 58 A C 0.735 178.265 177.584 -0.090 0.000 1.153 58 A CA 0.916 52.894 52.037 -0.099 0.000 0.692 58 A CB 0.287 19.233 19.000 -0.090 0.000 0.799 58 A HN 0.744 nan 8.150 nan 0.000 0.458 59 L N 0.028 121.233 121.223 -0.030 0.000 2.528 59 L HA 0.185 5.110 4.340 0.974 0.000 0.267 59 L C 0.946 177.812 176.870 -0.007 0.000 0.961 59 L CA -0.696 54.152 54.840 0.014 0.000 0.866 59 L CB 1.617 43.736 42.059 0.101 0.000 1.248 59 L HN 0.446 nan 8.230 nan 0.000 0.404 60 C N 1.819 121.048 119.300 -0.117 0.000 2.419 60 C HA -0.111 4.933 4.460 0.974 0.000 0.283 60 C C 1.798 176.803 174.990 0.025 0.000 1.373 60 C CA 0.302 59.202 59.018 -0.198 0.000 1.781 60 C CB -1.376 26.108 27.740 -0.427 0.000 1.886 60 C HN 0.795 nan 8.230 nan 0.000 0.520 61 Y N 0.970 121.363 120.300 0.155 0.000 2.578 61 Y HA 0.027 5.136 4.550 0.932 0.000 0.297 61 Y C 2.824 178.887 175.900 0.272 0.000 1.176 61 Y CA 1.033 59.247 58.100 0.190 0.000 1.315 61 Y CB -0.377 38.125 38.460 0.070 0.000 1.031 61 Y HN 0.348 nan 8.280 nan 0.000 0.524 62 T N -0.396 114.369 114.554 0.352 0.000 3.023 62 T HA 0.321 5.256 4.350 0.974 0.000 0.266 62 T C 0.453 175.357 174.700 0.341 0.000 1.093 62 T CA 0.724 63.048 62.100 0.373 0.000 1.129 62 T CB -0.170 68.877 68.868 0.299 0.000 0.899 62 T HN 0.285 nan 8.240 nan 0.000 0.491 63 A N -0.057 122.969 122.820 0.343 0.000 2.610 63 A HA 0.603 5.508 4.320 0.974 0.000 0.291 63 A C -0.286 177.475 177.584 0.294 0.000 1.086 63 A CA -0.854 51.364 52.037 0.301 0.000 0.677 63 A CB 0.833 20.002 19.000 0.281 0.000 1.278 63 A HN 0.231 nan 8.150 nan 0.000 0.414 64 T N 1.139 115.787 114.554 0.156 0.000 2.913 64 T HA 0.410 5.345 4.350 0.974 0.000 0.297 64 T C -2.059 172.535 174.700 -0.176 0.000 1.029 64 T CA -1.020 61.066 62.100 -0.023 0.000 1.104 64 T CB 0.704 69.561 68.868 -0.019 0.000 0.964 64 T HN 0.331 nan 8.240 nan 0.000 0.532 65 P HA -0.069 nan 4.420 nan 0.000 0.220 65 P C 1.135 178.306 177.300 -0.215 0.000 1.148 65 P CA 0.690 63.319 63.100 -0.784 0.000 0.803 65 P CB 0.100 31.087 31.700 -1.189 0.000 0.782 66 D N -0.123 120.177 120.400 -0.166 0.000 2.104 66 D HA -0.204 5.020 4.640 0.974 0.000 0.194 66 D C 2.115 178.417 176.300 0.003 0.000 0.994 66 D CA 1.184 55.147 54.000 -0.061 0.000 0.830 66 D CB -0.377 40.393 40.800 -0.051 0.000 0.959 66 D HN -0.072 nan 8.370 nan 0.000 0.452 67 R N -0.437 120.078 120.500 0.025 0.000 2.105 67 R HA -0.144 4.780 4.340 0.974 0.000 0.239 67 R C 2.392 178.750 176.300 0.097 0.000 1.135 67 R CA 1.287 57.426 56.100 0.066 0.000 0.967 67 R CB -0.457 29.898 30.300 0.093 0.000 0.861 67 R HN 0.328 nan 8.270 nan 0.000 0.442 68 L N 0.661 121.981 121.223 0.162 0.000 2.027 68 L HA -0.124 4.801 4.340 0.974 0.000 0.206 68 L C 2.322 179.310 176.870 0.198 0.000 1.074 68 L CA 2.379 57.366 54.840 0.246 0.000 0.745 68 L CB -0.509 41.787 42.059 0.395 0.000 0.898 68 L HN 0.320 nan 8.230 nan 0.000 0.433 69 S N -0.463 115.322 115.700 0.140 0.000 2.406 69 S HA -0.232 4.822 4.470 0.974 0.000 0.228 69 S C 2.216 176.855 174.600 0.065 0.000 1.020 69 S CA 0.882 59.148 58.200 0.109 0.000 0.965 69 S CB -0.677 62.567 63.200 0.073 0.000 0.798 69 S HN 0.628 nan 8.310 nan 0.000 0.488 70 R N 1.359 121.883 120.500 0.040 0.000 2.081 70 R HA -0.011 4.913 4.340 0.974 0.000 0.235 70 R C 2.547 178.827 176.300 -0.034 0.000 1.131 70 R CA 1.572 57.680 56.100 0.014 0.000 0.960 70 R CB -0.309 30.002 30.300 0.020 0.000 0.856 70 R HN 0.433 nan 8.270 nan 0.000 0.436 71 R N -0.389 120.051 120.500 -0.099 0.000 2.093 71 R HA 0.023 4.947 4.340 0.974 0.000 0.224 71 R C -0.109 175.837 176.300 -0.591 0.000 1.101 71 R CA 1.347 57.225 56.100 -0.371 0.000 0.979 71 R CB 0.142 30.132 30.300 -0.516 0.000 0.877 71 R HN 0.265 nan 8.270 nan 0.000 0.441 72 F N 0.110 120.066 119.950 0.010 0.000 2.523 72 F HA 0.395 5.502 4.527 0.967 0.000 0.322 72 F C -1.840 173.961 175.800 0.000 0.000 1.361 72 F CA -2.290 55.703 58.000 -0.012 0.000 1.151 72 F CB 2.000 40.996 39.000 -0.008 0.000 1.391 72 F HN -0.009 nan 8.300 nan 0.000 0.566 73 P HA -0.122 nan 4.420 nan 0.000 0.221 73 P C -0.076 177.270 177.300 0.077 0.000 1.145 73 P CA 1.483 64.633 63.100 0.082 0.000 0.795 73 P CB 0.118 31.845 31.700 0.046 0.000 0.775 74 N N -1.407 117.345 118.700 0.086 0.000 2.416 74 N HA 0.176 5.500 4.740 0.974 0.000 0.267 74 N C -0.306 175.226 175.510 0.037 0.000 1.294 74 N CA -0.313 52.767 53.050 0.051 0.000 0.891 74 N CB 0.019 38.529 38.487 0.038 0.000 1.238 74 N HN 0.024 nan 8.380 nan 0.000 0.508 75 L N 0.907 122.155 121.223 0.043 0.000 2.573 75 L HA -0.050 4.874 4.340 0.974 0.000 0.290 75 L C 1.412 178.273 176.870 -0.016 0.000 1.247 75 L CA 0.483 55.316 54.840 -0.012 0.000 0.876 75 L CB 0.549 42.595 42.059 -0.021 0.000 1.123 75 L HN 0.317 nan 8.230 nan 0.000 0.505 76 R N 0.762 121.243 120.500 -0.030 0.000 2.287 76 R HA 0.162 5.087 4.340 0.974 0.000 0.197 76 R C 0.291 176.573 176.300 -0.030 0.000 0.900 76 R CA 0.234 56.322 56.100 -0.021 0.000 1.052 76 R CB 0.582 30.873 30.300 -0.014 0.000 1.117 76 R HN 0.599 nan 8.270 nan 0.000 0.568 77 S N 0.623 116.295 115.700 -0.046 0.000 2.538 77 S HA 0.617 5.672 4.470 0.974 0.000 0.288 77 S C -1.423 173.029 174.600 -0.246 0.000 1.108 77 S CA -0.665 57.498 58.200 -0.060 0.000 0.971 77 S CB 1.119 64.393 63.200 0.123 0.000 1.041 77 S HN 0.059 nan 8.310 nan 0.000 0.483 78 L N 3.381 124.458 121.223 -0.243 0.000 2.350 78 L HA 0.806 5.731 4.340 0.974 0.000 0.260 78 L C -1.220 175.474 176.870 -0.294 0.000 1.015 78 L CA -0.325 54.321 54.840 -0.323 0.000 0.821 78 L CB 1.968 43.919 42.059 -0.180 0.000 1.370 78 L HN 0.810 nan 8.230 nan 0.000 0.416 79 K N 4.227 124.435 120.400 -0.319 0.000 2.615 79 K HA 0.591 5.496 4.320 0.974 0.000 0.249 79 K C -2.230 174.207 176.600 -0.272 0.000 0.977 79 K CA -0.461 55.670 56.287 -0.260 0.000 0.833 79 K CB 1.031 33.398 32.500 -0.223 0.000 1.208 79 K HN 0.695 nan 8.250 nan 0.000 0.443 80 L N 3.872 124.961 121.223 -0.224 0.000 2.346 80 L HA 0.569 5.494 4.340 0.974 0.000 0.276 80 L C -0.414 176.343 176.870 -0.189 0.000 1.006 80 L CA -1.053 53.628 54.840 -0.266 0.000 0.817 80 L CB 1.895 43.734 42.059 -0.367 0.000 1.272 80 L HN 0.482 nan 8.230 nan 0.000 0.421 81 K N 0.900 121.181 120.400 -0.199 0.000 2.203 81 K HA 0.653 5.558 4.320 0.974 0.000 0.251 81 K C 0.211 176.750 176.600 -0.101 0.000 0.944 81 K CA -0.538 55.664 56.287 -0.141 0.000 0.829 81 K CB 2.541 34.948 32.500 -0.155 0.000 1.125 81 K HN 0.757 nan 8.250 nan 0.000 0.430 82 G N 1.550 110.330 108.800 -0.033 0.000 2.694 82 G HA2 0.115 4.659 3.960 0.974 0.000 0.212 82 G HA3 0.115 4.659 3.960 0.974 0.000 0.212 82 G C -0.571 174.446 174.900 0.194 0.000 2.030 82 G CA -0.371 44.786 45.100 0.094 0.000 0.731 82 G HN 0.400 nan 8.290 nan 0.000 0.795 83 K N 1.856 122.349 120.400 0.155 0.000 2.550 83 K HA 0.097 5.001 4.320 0.974 0.000 0.280 83 K C -2.188 174.228 176.600 -0.307 0.000 0.987 83 K CA -0.701 55.456 56.287 -0.217 0.000 1.048 83 K CB 0.426 32.843 32.500 -0.139 0.000 0.879 83 K HN 0.090 nan 8.250 nan 0.000 0.491 84 P HA -0.079 nan 4.420 nan 0.000 0.270 84 P C 0.313 177.424 177.300 -0.316 0.000 1.216 84 P CA 0.102 63.012 63.100 -0.316 0.000 0.788 84 P CB 0.490 31.895 31.700 -0.491 0.000 0.883 85 R N 1.267 121.611 120.500 -0.261 0.000 2.148 85 R HA -0.100 4.825 4.340 0.974 0.000 0.227 85 R C 1.989 178.199 176.300 -0.150 0.000 1.103 85 R CA 1.396 57.391 56.100 -0.176 0.000 0.983 85 R CB -0.722 29.515 30.300 -0.105 0.000 0.874 85 R HN 0.523 nan 8.270 nan 0.000 0.451 86 A N 0.621 123.177 122.820 -0.440 0.000 2.076 86 A HA -0.127 4.777 4.320 0.974 0.000 0.220 86 A C 2.202 179.690 177.584 -0.161 0.000 1.160 86 A CA 1.529 53.316 52.037 -0.418 0.000 0.653 86 A CB -0.442 17.848 19.000 -1.184 0.000 0.801 86 A HN 0.430 nan 8.150 nan 0.000 0.455 87 A N -0.374 122.306 122.820 -0.233 0.000 2.019 87 A HA -0.084 4.820 4.320 0.974 0.000 0.219 87 A C 1.996 179.504 177.584 -0.126 0.000 1.164 87 A CA 1.527 53.466 52.037 -0.164 0.000 0.644 87 A CB -0.560 18.326 19.000 -0.190 0.000 0.805 87 A HN 0.554 nan 8.150 nan 0.000 0.449 88 M N -1.587 117.917 119.600 -0.160 0.000 2.686 88 M HA 0.095 5.160 4.480 0.974 0.000 0.246 88 M C -0.200 175.702 176.300 -0.664 0.000 1.096 88 M CA 0.774 55.843 55.300 -0.385 0.000 1.076 88 M CB -0.095 32.214 32.600 -0.484 0.000 1.504 88 M HN 0.440 nan 8.290 nan 0.000 0.524 89 F N -0.348 119.545 119.950 -0.095 0.000 2.815 89 F HA 0.300 5.409 4.527 0.970 0.000 0.323 89 F C 0.202 175.963 175.800 -0.065 0.000 1.151 89 F CA -0.836 57.124 58.000 -0.067 0.000 1.191 89 F CB 0.038 39.002 39.000 -0.060 0.000 1.069 89 F HN 0.099 nan 8.300 nan 0.000 0.514 90 N N 1.824 120.537 118.700 0.023 0.000 2.705 90 N HA -0.201 5.124 4.740 0.974 0.000 0.255 90 N C 0.431 175.933 175.510 -0.015 0.000 1.008 90 N CA 0.673 53.723 53.050 0.000 0.000 0.742 90 N CB -1.197 37.294 38.487 0.007 0.000 0.906 90 N HN 0.460 nan 8.380 nan 0.000 0.541 91 L N -1.158 120.067 121.223 0.002 0.000 2.717 91 L HA 0.276 5.201 4.340 0.974 0.000 0.239 91 L C 0.543 177.498 176.870 0.142 0.000 1.086 91 L CA 0.215 55.074 54.840 0.032 0.000 0.897 91 L CB 0.327 42.427 42.059 0.069 0.000 1.214 91 L HN 0.104 nan 8.230 nan 0.000 0.508 92 I N 1.335 121.921 120.570 0.027 0.000 2.359 92 I HA 0.341 5.096 4.170 0.974 0.000 0.294 92 I C -2.118 174.025 176.117 0.044 0.000 0.987 92 I CA -2.585 58.727 61.300 0.020 0.000 1.225 92 I CB 1.104 39.001 38.000 -0.172 0.000 1.366 92 I HN -0.303 nan 8.210 nan 0.000 0.466 93 P HA -0.047 nan 4.420 nan 0.000 0.266 93 P C 0.726 178.105 177.300 0.132 0.000 1.186 93 P CA 0.294 63.468 63.100 0.123 0.000 0.767 93 P CB 0.917 32.722 31.700 0.174 0.000 0.820 94 E N 3.348 123.605 120.200 0.095 0.000 2.072 94 E HA -0.198 4.737 4.350 0.974 0.000 0.191 94 E C 1.150 177.810 176.600 0.100 0.000 0.985 94 E CA 1.616 58.060 56.400 0.074 0.000 0.801 94 E CB -0.658 29.067 29.700 0.041 0.000 0.750 94 E HN 0.411 nan 8.360 nan 0.000 0.452 95 N N -0.231 118.542 118.700 0.122 0.000 2.501 95 N HA -0.099 5.226 4.740 0.974 0.000 0.195 95 N C 1.195 176.799 175.510 0.155 0.000 1.213 95 N CA 0.342 53.470 53.050 0.131 0.000 0.864 95 N CB -1.103 37.464 38.487 0.134 0.000 0.999 95 N HN 0.339 nan 8.380 nan 0.000 0.454 96 W N 1.669 122.978 121.300 0.014 0.000 2.342 96 W HA 0.058 5.273 4.660 0.925 0.000 0.297 96 W C 0.733 177.277 176.519 0.041 0.000 1.213 96 W CA 2.243 59.609 57.345 0.035 0.000 1.251 96 W CB -0.073 29.412 29.460 0.041 0.000 1.136 96 W HN 0.326 nan 8.180 nan 0.000 0.526 97 G N -2.615 106.142 108.800 -0.070 0.000 2.346 97 G HA2 0.399 4.943 3.960 0.974 0.000 0.294 97 G HA3 0.399 4.943 3.960 0.974 0.000 0.294 97 G C 0.207 175.056 174.900 -0.085 0.000 1.294 97 G CA -0.053 44.854 45.100 -0.321 0.000 0.962 97 G HN 1.095 nan 8.290 nan 0.000 0.508 98 G N -1.931 106.871 108.800 0.004 0.000 2.148 98 G HA2 0.061 4.605 3.960 0.974 0.000 0.157 98 G HA3 0.061 4.605 3.960 0.974 0.000 0.157 98 G C 0.264 175.093 174.900 -0.119 0.000 1.012 98 G CA 0.359 45.455 45.100 -0.007 0.000 0.677 98 G HN 1.497 nan 8.290 nan 0.000 0.506 99 Y N -0.658 119.665 120.300 0.037 0.000 2.597 99 Y HA 0.314 5.447 4.550 0.971 0.000 0.336 99 Y C 1.528 177.417 175.900 -0.018 0.000 1.216 99 Y CA 0.786 58.890 58.100 0.007 0.000 1.463 99 Y CB 1.380 39.861 38.460 0.035 0.000 1.303 99 Y HN -0.018 nan 8.280 nan 0.000 0.576 100 V N 2.110 122.053 119.914 0.048 0.000 3.643 100 V HA -0.110 4.595 4.120 0.974 0.000 0.280 100 V C 1.764 177.890 176.094 0.054 0.000 1.351 100 V CA 1.264 63.498 62.300 -0.111 0.000 1.073 100 V CB -0.305 31.118 31.823 -0.667 0.000 0.863 100 V HN 1.102 nan 8.190 nan 0.000 0.436 101 T N -0.574 114.024 114.554 0.073 0.000 2.708 101 T HA -0.085 4.850 4.350 0.974 0.000 0.266 101 T C -0.049 174.667 174.700 0.027 0.000 1.037 101 T CA 1.715 63.841 62.100 0.044 0.000 1.146 101 T CB -1.556 67.326 68.868 0.022 0.000 0.865 101 T HN 0.399 nan 8.240 nan 0.000 0.435 102 P HA -0.022 nan 4.420 nan 0.000 0.218 102 P C 0.740 177.883 177.300 -0.260 0.000 1.148 102 P CA 1.057 64.044 63.100 -0.188 0.000 0.822 102 P CB -0.335 31.174 31.700 -0.319 0.000 0.784 103 W N -0.355 120.939 121.300 -0.009 0.000 2.381 103 W HA -0.087 5.148 4.660 0.958 0.000 0.301 103 W C 2.334 178.886 176.519 0.055 0.000 1.205 103 W CA 0.959 58.320 57.345 0.026 0.000 1.285 103 W CB -1.383 28.098 29.460 0.035 0.000 1.133 103 W HN -0.178 nan 8.180 nan 0.000 0.521 104 V N -0.080 119.979 119.914 0.242 0.000 2.667 104 V HA -0.175 4.530 4.120 0.974 0.000 0.252 104 V C 1.988 178.136 176.094 0.090 0.000 1.065 104 V CA 2.369 64.776 62.300 0.178 0.000 1.083 104 V CB -1.167 30.751 31.823 0.158 0.000 0.692 104 V HN 0.260 nan 8.190 nan 0.000 0.468 105 T N -2.169 112.409 114.554 0.040 0.000 2.995 105 T HA -0.092 4.843 4.350 0.974 0.000 0.269 105 T C 1.714 176.413 174.700 -0.000 0.000 1.091 105 T CA 1.446 63.550 62.100 0.005 0.000 1.128 105 T CB -0.261 68.594 68.868 -0.021 0.000 0.891 105 T HN 0.576 nan 8.240 nan 0.000 0.492 106 E N 1.401 121.598 120.200 -0.004 0.000 2.072 106 E HA 0.071 5.006 4.350 0.974 0.000 0.190 106 E C 1.961 178.593 176.600 0.054 0.000 0.982 106 E CA 0.770 57.169 56.400 -0.000 0.000 0.803 106 E CB -0.565 29.106 29.700 -0.049 0.000 0.755 106 E HN 0.626 nan 8.360 nan 0.000 0.453 107 I N 0.092 120.722 120.570 0.101 0.000 2.226 107 I HA -0.270 4.484 4.170 0.974 0.000 0.245 107 I C 2.468 178.619 176.117 0.057 0.000 1.100 107 I CA 1.240 62.598 61.300 0.096 0.000 1.374 107 I CB -0.461 37.613 38.000 0.124 0.000 1.057 107 I HN 0.149 nan 8.210 nan 0.000 0.413 108 S N 0.862 116.590 115.700 0.047 0.000 2.387 108 S HA -0.229 4.826 4.470 0.974 0.000 0.230 108 S C 1.649 176.259 174.600 0.017 0.000 1.035 108 S CA 2.235 60.450 58.200 0.024 0.000 1.014 108 S CB -0.395 62.814 63.200 0.015 0.000 0.836 108 S HN 0.537 nan 8.310 nan 0.000 0.466 109 N N -0.625 118.085 118.700 0.017 0.000 2.454 109 N HA 0.183 5.508 4.740 0.974 0.000 0.177 109 N C 0.731 176.250 175.510 0.015 0.000 1.049 109 N CA 0.481 53.538 53.050 0.010 0.000 0.887 109 N CB 0.220 38.708 38.487 0.001 0.000 1.095 109 N HN 0.308 nan 8.380 nan 0.000 0.446 110 N N -0.107 118.608 118.700 0.025 0.000 2.129 110 N HA 0.182 5.507 4.740 0.974 0.000 0.222 110 N C -0.391 175.145 175.510 0.042 0.000 1.303 110 N CA 0.150 53.218 53.050 0.030 0.000 0.897 110 N CB 1.236 39.740 38.487 0.027 0.000 1.093 110 N HN 0.042 nan 8.380 nan 0.000 0.501 111 L N 1.415 122.667 121.223 0.049 0.000 2.956 111 L HA 0.361 5.286 4.340 0.974 0.000 0.232 111 L C 0.898 177.789 176.870 0.036 0.000 1.291 111 L CA -0.173 54.699 54.840 0.053 0.000 1.122 111 L CB 0.360 42.461 42.059 0.070 0.000 1.461 111 L HN -0.295 nan 8.230 nan 0.000 0.470 112 R N 0.028 120.545 120.500 0.028 0.000 2.366 112 R HA -0.088 4.836 4.340 0.974 0.000 0.201 112 R C 1.399 177.707 176.300 0.015 0.000 1.057 112 R CA 0.516 56.628 56.100 0.019 0.000 1.086 112 R CB -0.220 30.089 30.300 0.016 0.000 0.914 112 R HN 0.368 nan 8.270 nan 0.000 0.476 113 Q N -0.968 118.841 119.800 0.016 0.000 2.164 113 Q HA 0.206 5.131 4.340 0.974 0.000 0.226 113 Q C -0.841 175.160 176.000 0.002 0.000 0.813 113 Q CA -0.204 55.605 55.803 0.009 0.000 0.978 113 Q CB 0.599 29.343 28.738 0.011 0.000 1.149 113 Q HN 0.089 nan 8.270 nan 0.000 0.489 114 L N 1.825 123.050 121.223 0.003 0.000 2.410 114 L HA 0.118 5.043 4.340 0.974 0.000 0.273 114 L C 0.727 177.588 176.870 -0.015 0.000 1.144 114 L CA 0.939 55.773 54.840 -0.009 0.000 0.863 114 L CB 0.727 42.784 42.059 -0.003 0.000 1.140 114 L HN 0.206 nan 8.230 nan 0.000 0.463 115 K N 1.386 121.772 120.400 -0.023 0.000 2.402 115 K HA 0.260 5.165 4.320 0.974 0.000 0.203 115 K C 0.097 176.674 176.600 -0.038 0.000 1.077 115 K CA -0.085 56.188 56.287 -0.024 0.000 1.051 115 K CB 0.549 33.038 32.500 -0.018 0.000 0.907 115 K HN 0.423 nan 8.250 nan 0.000 0.554 116 S N 0.680 116.350 115.700 -0.051 0.000 2.614 116 S HA 0.474 5.529 4.470 0.974 0.000 0.275 116 S C -1.476 173.054 174.600 -0.116 0.000 1.161 116 S CA -0.552 57.606 58.200 -0.071 0.000 0.969 116 S CB 1.891 65.067 63.200 -0.040 0.000 1.059 116 S HN 0.029 nan 8.310 nan 0.000 0.482 117 V N 5.202 125.004 119.914 -0.187 0.000 2.588 117 V HA 0.517 5.222 4.120 0.974 0.000 0.304 117 V C -0.607 175.253 176.094 -0.389 0.000 1.042 117 V CA -0.674 61.422 62.300 -0.339 0.000 0.877 117 V CB 1.628 33.158 31.823 -0.488 0.000 0.996 117 V HN 1.005 nan 8.190 nan 0.000 0.425 118 H N 4.647 123.426 119.070 -0.486 0.000 2.708 118 H HA 0.605 5.749 4.556 0.980 0.000 0.320 118 H C -1.577 173.536 175.328 -0.358 0.000 0.991 118 H CA -0.752 55.079 56.048 -0.363 0.000 1.243 118 H CB 0.868 30.527 29.762 -0.171 0.000 1.446 118 H HN 0.491 nan 8.280 nan 0.000 0.502 119 F N 3.519 123.590 119.950 0.201 0.000 2.404 119 F HA 0.420 5.530 4.527 0.970 0.000 0.339 119 F C 0.331 176.215 175.800 0.140 0.000 1.105 119 F CA -0.819 57.219 58.000 0.063 0.000 1.087 119 F CB 1.440 40.435 39.000 -0.008 0.000 1.143 119 F HN 0.465 nan 8.300 nan 0.000 0.491 120 R N 2.311 122.919 120.500 0.180 0.000 2.502 120 R HA 0.492 5.416 4.340 0.974 0.000 0.300 120 R C -0.303 176.014 176.300 0.028 0.000 0.984 120 R CA -0.649 55.501 56.100 0.083 0.000 0.882 120 R CB 0.743 30.998 30.300 -0.075 0.000 1.180 120 R HN 0.734 nan 8.270 nan 0.000 0.444 121 R N 3.133 123.655 120.500 0.036 0.000 3.333 121 R HA -0.201 4.724 4.340 0.974 0.000 0.256 121 R C -0.549 175.761 176.300 0.018 0.000 1.010 121 R CA 1.060 57.164 56.100 0.007 0.000 0.680 121 R CB -1.300 28.976 30.300 -0.040 0.000 1.102 121 R HN 0.575 nan 8.270 nan 0.000 0.440 122 M N 0.346 119.961 119.600 0.025 0.000 2.777 122 M HA 0.496 5.561 4.480 0.974 0.000 0.307 122 M C 0.375 176.653 176.300 -0.036 0.000 1.228 122 M CA -1.119 54.163 55.300 -0.031 0.000 0.871 122 M CB 1.615 34.145 32.600 -0.115 0.000 1.721 122 M HN -0.078 nan 8.290 nan 0.000 0.487 123 I N 2.629 123.136 120.570 -0.104 0.000 2.297 123 I HA 0.285 5.039 4.170 0.974 0.000 0.291 123 I C -0.598 175.515 176.117 -0.006 0.000 1.033 123 I CA -0.454 60.807 61.300 -0.063 0.000 1.253 123 I CB 0.366 38.229 38.000 -0.227 0.000 1.396 123 I HN 0.259 nan 8.210 nan 0.000 0.476 124 V N 5.971 125.938 119.914 0.088 0.000 2.350 124 V HA 0.275 4.979 4.120 0.974 0.000 0.285 124 V C 0.577 176.784 176.094 0.188 0.000 1.014 124 V CA -0.517 61.816 62.300 0.055 0.000 0.831 124 V CB 1.568 33.359 31.823 -0.053 0.000 1.000 124 V HN 0.894 nan 8.190 nan 0.000 0.433 125 S N 2.134 117.910 115.700 0.127 0.000 2.652 125 S HA 0.284 5.338 4.470 0.974 0.000 0.270 125 S C 0.713 175.389 174.600 0.127 0.000 1.243 125 S CA -0.469 57.819 58.200 0.147 0.000 0.999 125 S CB 1.467 64.732 63.200 0.109 0.000 0.973 125 S HN 0.609 nan 8.310 nan 0.000 0.544 126 D N 0.293 120.774 120.400 0.136 0.000 2.117 126 D HA -0.080 5.144 4.640 0.974 0.000 0.197 126 D C 1.707 178.045 176.300 0.064 0.000 0.987 126 D CA 1.014 55.078 54.000 0.107 0.000 0.829 126 D CB -0.378 40.482 40.800 0.099 0.000 0.961 126 D HN 0.477 nan 8.370 nan 0.000 0.460 127 L N 1.532 122.788 121.223 0.056 0.000 1.976 127 L HA -0.189 4.735 4.340 0.974 0.000 0.209 127 L C 1.578 178.465 176.870 0.028 0.000 1.071 127 L CA 2.229 57.090 54.840 0.036 0.000 0.746 127 L CB -1.041 41.036 42.059 0.030 0.000 0.890 127 L HN 0.006 nan 8.230 nan 0.000 0.432 128 D N -0.244 120.175 120.400 0.031 0.000 2.221 128 D HA -0.259 4.966 4.640 0.974 0.000 0.204 128 D C 1.989 178.307 176.300 0.030 0.000 0.982 128 D CA 2.022 56.038 54.000 0.027 0.000 0.857 128 D CB -0.836 39.978 40.800 0.023 0.000 0.934 128 D HN 0.624 nan 8.370 nan 0.000 0.475 129 L N -2.189 119.047 121.223 0.021 0.000 2.477 129 L HA 0.277 5.202 4.340 0.974 0.000 0.220 129 L C 1.688 178.562 176.870 0.007 0.000 1.106 129 L CA 0.932 55.779 54.840 0.012 0.000 0.851 129 L CB -0.377 41.661 42.059 -0.036 0.000 0.994 129 L HN -0.178 nan 8.230 nan 0.000 0.462 130 D N 0.806 121.213 120.400 0.011 0.000 2.117 130 D HA -0.195 5.030 4.640 0.974 0.000 0.198 130 D C 2.320 178.592 176.300 -0.046 0.000 0.982 130 D CA 1.338 55.336 54.000 -0.002 0.000 0.828 130 D CB 0.143 40.952 40.800 0.015 0.000 0.967 130 D HN 0.246 nan 8.370 nan 0.000 0.464 131 R N -0.058 120.429 120.500 -0.022 0.000 2.073 131 R HA -0.069 4.856 4.340 0.974 0.000 0.234 131 R C 2.445 178.730 176.300 -0.024 0.000 1.134 131 R CA 0.793 56.877 56.100 -0.027 0.000 0.952 131 R CB -0.520 29.779 30.300 -0.002 0.000 0.850 131 R HN 0.317 nan 8.270 nan 0.000 0.433 132 L N 0.439 121.667 121.223 0.007 0.000 1.989 132 L HA -0.219 4.706 4.340 0.974 0.000 0.211 132 L C 2.403 179.265 176.870 -0.013 0.000 1.071 132 L CA 1.846 56.700 54.840 0.024 0.000 0.749 132 L CB -0.638 41.461 42.059 0.066 0.000 0.890 132 L HN 0.252 nan 8.230 nan 0.000 0.431 133 A N 0.014 122.816 122.820 -0.029 0.000 1.892 133 A HA -0.287 4.618 4.320 0.974 0.000 0.218 133 A C 2.241 179.754 177.584 -0.118 0.000 1.188 133 A CA 2.240 54.256 52.037 -0.036 0.000 0.631 133 A CB -0.468 18.537 19.000 0.007 0.000 0.822 133 A HN 0.470 nan 8.150 nan 0.000 0.447 134 K N -0.561 119.689 120.400 -0.251 0.000 2.057 134 K HA 0.043 4.947 4.320 0.974 0.000 0.206 134 K C 2.326 178.854 176.600 -0.120 0.000 1.050 134 K CA 1.007 57.114 56.287 -0.300 0.000 0.935 134 K CB -0.319 31.984 32.500 -0.328 0.000 0.715 134 K HN 0.431 nan 8.250 nan 0.000 0.439 135 A N 1.076 123.851 122.820 -0.075 0.000 1.933 135 A HA -0.153 4.752 4.320 0.974 0.000 0.218 135 A C 2.070 179.644 177.584 -0.016 0.000 1.175 135 A CA 1.654 53.671 52.037 -0.033 0.000 0.628 135 A CB -0.172 18.821 19.000 -0.012 0.000 0.814 135 A HN 0.089 nan 8.150 nan 0.000 0.444 136 R N -2.505 117.986 120.500 -0.014 0.000 2.287 136 R HA 0.469 5.394 4.340 0.974 0.000 0.197 136 R C 1.233 177.536 176.300 0.004 0.000 0.900 136 R CA 1.008 57.107 56.100 -0.002 0.000 1.052 136 R CB -0.330 29.970 30.300 -0.000 0.000 1.117 136 R HN 0.630 nan 8.270 nan 0.000 0.568 137 A N 0.866 123.691 122.820 0.008 0.000 5.468 137 A HA -0.404 4.501 4.320 0.974 0.000 0.338 137 A C 1.233 178.837 177.584 0.033 0.000 1.722 137 A CA 1.890 53.949 52.037 0.037 0.000 0.740 137 A CB -1.638 17.386 19.000 0.040 0.000 1.424 137 A HN 0.392 nan 8.150 nan 0.000 0.408 138 D N -0.506 119.913 120.400 0.032 0.000 2.228 138 D HA -0.056 5.168 4.640 0.974 0.000 0.203 138 D C 1.323 177.631 176.300 0.014 0.000 0.988 138 D CA 1.609 55.623 54.000 0.024 0.000 0.864 138 D CB -0.431 40.381 40.800 0.019 0.000 0.928 138 D HN 0.506 nan 8.370 nan 0.000 0.469 139 D N -0.453 119.953 120.400 0.010 0.000 2.264 139 D HA -0.059 5.165 4.640 0.974 0.000 0.208 139 D C 0.605 176.903 176.300 -0.003 0.000 0.966 139 D CA 0.074 54.076 54.000 0.003 0.000 0.864 139 D CB -0.086 40.715 40.800 0.002 0.000 0.933 139 D HN 0.159 nan 8.370 nan 0.000 0.499 140 L N 1.590 122.812 121.223 -0.003 0.000 2.515 140 L HA 0.028 4.953 4.340 0.974 0.000 0.281 140 L C 1.106 177.968 176.870 -0.013 0.000 1.131 140 L CA 0.405 55.237 54.840 -0.013 0.000 0.905 140 L CB 0.216 42.267 42.059 -0.014 0.000 1.246 140 L HN -0.084 nan 8.230 nan 0.000 0.463 141 E N 1.474 121.662 120.200 -0.020 0.000 2.140 141 E HA 0.003 4.937 4.350 0.974 0.000 0.191 141 E C 0.265 176.849 176.600 -0.027 0.000 0.973 141 E CA 0.795 57.185 56.400 -0.018 0.000 0.829 141 E CB 0.390 30.079 29.700 -0.018 0.000 0.781 141 E HN 0.652 nan 8.360 nan 0.000 0.466 142 T N -0.075 114.453 114.554 -0.044 0.000 2.912 142 T HA 0.492 5.427 4.350 0.974 0.000 0.299 142 T C -1.842 172.799 174.700 -0.098 0.000 1.052 142 T CA -0.881 61.181 62.100 -0.062 0.000 0.996 142 T CB 1.494 70.324 68.868 -0.062 0.000 1.070 142 T HN -0.020 nan 8.240 nan 0.000 0.465 143 L N 3.564 124.719 121.223 -0.113 0.000 2.439 143 L HA 0.679 5.604 4.340 0.974 0.000 0.270 143 L C -1.252 175.508 176.870 -0.183 0.000 0.972 143 L CA -0.346 54.397 54.840 -0.161 0.000 0.836 143 L CB 1.677 43.660 42.059 -0.127 0.000 1.255 143 L HN 0.715 nan 8.230 nan 0.000 0.404 144 K N 6.956 127.200 120.400 -0.260 0.000 2.507 144 K HA 0.468 5.372 4.320 0.974 0.000 0.253 144 K C -1.110 175.379 176.600 -0.183 0.000 0.969 144 K CA -0.507 55.597 56.287 -0.303 0.000 0.908 144 K CB 1.517 33.610 32.500 -0.678 0.000 1.127 144 K HN 0.595 nan 8.250 nan 0.000 0.437 145 L N 3.215 124.388 121.223 -0.083 0.000 2.358 145 L HA 0.146 5.071 4.340 0.974 0.000 0.274 145 L C -0.064 176.863 176.870 0.095 0.000 1.136 145 L CA -0.451 54.408 54.840 0.032 0.000 0.970 145 L CB -0.109 41.912 42.059 -0.064 0.000 1.314 145 L HN 0.492 nan 8.230 nan 0.000 0.427 146 D N 4.778 125.253 120.400 0.126 0.000 2.396 146 D HA 0.129 5.354 4.640 0.974 0.000 0.225 146 D C 0.313 176.691 176.300 0.130 0.000 1.121 146 D CA -0.305 53.773 54.000 0.129 0.000 0.853 146 D CB 0.534 41.480 40.800 0.244 0.000 1.043 146 D HN 0.313 nan 8.370 nan 0.000 0.500 147 K N 1.619 122.082 120.400 0.104 0.000 3.096 147 K HA -0.172 4.733 4.320 0.974 0.000 0.266 147 K C -0.261 176.390 176.600 0.085 0.000 1.043 147 K CA 0.394 56.720 56.287 0.064 0.000 0.758 147 K CB -2.392 30.116 32.500 0.013 0.000 1.260 147 K HN 0.409 nan 8.250 nan 0.000 0.481 148 C N 0.039 119.438 119.300 0.164 0.000 2.354 148 C HA 0.753 5.797 4.460 0.974 0.000 0.381 148 C C 1.052 176.185 174.990 0.237 0.000 1.240 148 C CA -0.239 58.894 59.018 0.192 0.000 2.089 148 C CB 1.535 29.415 27.740 0.233 0.000 2.234 148 C HN 0.622 nan 8.230 nan 0.000 0.544 149 S N -1.357 114.467 115.700 0.206 0.000 2.651 149 S HA 0.780 5.834 4.470 0.974 0.000 0.279 149 S C 0.009 174.707 174.600 0.163 0.000 1.148 149 S CA 0.289 58.546 58.200 0.094 0.000 0.837 149 S CB 1.193 64.390 63.200 -0.005 0.000 1.138 149 S HN 2.503 nan 8.310 nan 0.000 0.478 150 G N -0.014 108.802 108.800 0.028 0.000 2.159 150 G HA2 -0.110 4.434 3.960 0.974 0.000 0.227 150 G HA3 -0.110 4.434 3.960 0.974 0.000 0.227 150 G C -0.242 174.761 174.900 0.171 0.000 0.986 150 G CA 0.258 45.413 45.100 0.091 0.000 0.651 150 G HN 1.562 nan 8.290 nan 0.000 0.523 151 F N -0.018 119.971 119.950 0.065 0.000 2.697 151 F HA 0.954 6.064 4.527 0.973 0.000 0.386 151 F C 0.365 176.208 175.800 0.072 0.000 1.154 151 F CA -0.368 57.663 58.000 0.051 0.000 1.108 151 F CB 1.142 40.156 39.000 0.023 0.000 1.429 151 F HN 0.560 nan 8.300 nan 0.000 0.509 152 T N -4.124 110.549 114.554 0.199 0.000 2.754 152 T HA 0.276 5.211 4.350 0.974 0.000 0.296 152 T C 0.638 175.374 174.700 0.061 0.000 1.205 152 T CA -0.025 62.110 62.100 0.059 0.000 1.009 152 T CB 0.747 69.652 68.868 0.061 0.000 1.368 152 T HN 1.038 nan 8.240 nan 0.000 0.509 153 T N -1.280 113.271 114.554 -0.005 0.000 2.897 153 T HA -0.096 4.838 4.350 0.974 0.000 0.271 153 T C 1.131 175.855 174.700 0.040 0.000 1.084 153 T CA 1.791 63.871 62.100 -0.033 0.000 1.123 153 T CB -0.862 68.083 68.868 0.128 0.000 0.865 153 T HN 0.604 nan 8.240 nan 0.000 0.496 154 D N 1.939 122.381 120.400 0.071 0.000 2.092 154 D HA 0.007 5.231 4.640 0.974 0.000 0.193 154 D C 2.471 178.814 176.300 0.071 0.000 0.994 154 D CA 1.527 55.575 54.000 0.079 0.000 0.828 154 D CB -1.153 39.692 40.800 0.076 0.000 0.963 154 D HN 0.537 nan 8.370 nan 0.000 0.450 155 G N 1.380 110.224 108.800 0.073 0.000 2.586 155 G HA2 -0.285 4.260 3.960 0.974 0.000 0.218 155 G HA3 -0.285 4.260 3.960 0.974 0.000 0.218 155 G C 1.755 176.647 174.900 -0.013 0.000 1.216 155 G CA 0.960 46.085 45.100 0.042 0.000 0.786 155 G HN 0.263 nan 8.290 nan 0.000 0.583 156 L N -0.403 120.769 121.223 -0.084 0.000 1.997 156 L HA -0.170 4.754 4.340 0.974 0.000 0.216 156 L C 2.817 179.698 176.870 0.019 0.000 1.074 156 L CA 1.199 55.930 54.840 -0.180 0.000 0.763 156 L CB -0.707 41.012 42.059 -0.567 0.000 0.890 156 L HN 0.240 nan 8.230 nan 0.000 0.434 157 L N -0.328 120.956 121.223 0.101 0.000 2.042 157 L HA -0.234 4.691 4.340 0.974 0.000 0.210 157 L C 2.808 179.748 176.870 0.116 0.000 1.076 157 L CA 2.082 57.019 54.840 0.162 0.000 0.749 157 L CB -0.808 41.341 42.059 0.150 0.000 0.893 157 L HN 0.193 nan 8.230 nan 0.000 0.432 158 S N -0.609 115.158 115.700 0.111 0.000 2.370 158 S HA -0.194 4.861 4.470 0.974 0.000 0.226 158 S C 2.055 176.774 174.600 0.198 0.000 1.033 158 S CA 1.658 59.963 58.200 0.176 0.000 1.011 158 S CB -0.545 62.748 63.200 0.154 0.000 0.852 158 S HN 0.593 nan 8.310 nan 0.000 0.457 159 I N 0.429 121.060 120.570 0.103 0.000 2.761 159 I HA 0.064 4.818 4.170 0.974 0.000 0.261 159 I C 1.850 178.021 176.117 0.089 0.000 1.198 159 I CA 0.960 62.312 61.300 0.086 0.000 1.482 159 I CB -0.325 37.684 38.000 0.016 0.000 1.100 159 I HN 0.220 nan 8.210 nan 0.000 0.445 160 V N -0.705 119.268 119.914 0.099 0.000 3.129 160 V HA -0.028 4.676 4.120 0.974 0.000 0.259 160 V C 2.407 178.535 176.094 0.058 0.000 1.116 160 V CA 1.474 63.836 62.300 0.104 0.000 1.127 160 V CB -1.797 30.128 31.823 0.170 0.000 0.742 160 V HN 0.654 nan 8.190 nan 0.000 0.474 161 T N -2.175 112.388 114.554 0.015 0.000 2.976 161 T HA -0.010 4.925 4.350 0.974 0.000 0.257 161 T C 1.722 176.319 174.700 -0.172 0.000 1.051 161 T CA 1.436 63.468 62.100 -0.113 0.000 1.141 161 T CB -0.530 68.213 68.868 -0.208 0.000 0.881 161 T HN 0.573 nan 8.240 nan 0.000 0.461 162 H N -0.212 118.859 119.070 0.000 0.000 2.486 162 H HA 0.365 5.506 4.556 0.975 0.000 0.287 162 H C 0.509 175.835 175.328 -0.004 0.000 1.010 162 H CA 0.300 56.345 56.048 -0.005 0.000 1.324 162 H CB 0.179 29.941 29.762 0.001 0.000 1.446 162 H HN 0.345 nan 8.280 nan 0.000 0.537 163 C N 2.450 121.823 119.300 0.121 0.000 2.136 163 C HA 0.241 5.285 4.460 0.974 0.000 0.381 163 C C 1.247 176.264 174.990 0.044 0.000 1.039 163 C CA -0.549 58.509 59.018 0.067 0.000 1.491 163 C CB -0.894 26.876 27.740 0.051 0.000 1.663 163 C HN 0.556 nan 8.230 nan 0.000 0.470 164 R N 0.789 121.308 120.500 0.031 0.000 2.307 164 R HA 0.005 4.930 4.340 0.974 0.000 0.199 164 R C 1.173 177.489 176.300 0.027 0.000 1.000 164 R CA 0.642 56.755 56.100 0.021 0.000 1.023 164 R CB 0.175 30.476 30.300 0.001 0.000 0.908 164 R HN 0.598 nan 8.270 nan 0.000 0.473 165 K N 0.760 121.174 120.400 0.024 0.000 2.414 165 K HA 0.268 5.173 4.320 0.974 0.000 0.204 165 K C -0.028 176.583 176.600 0.017 0.000 1.026 165 K CA -0.220 56.078 56.287 0.019 0.000 1.108 165 K CB 0.671 33.179 32.500 0.013 0.000 0.855 165 K HN 0.034 nan 8.250 nan 0.000 0.517 166 I N 2.320 122.903 120.570 0.022 0.000 2.919 166 I HA -0.223 4.532 4.170 0.974 0.000 0.299 166 I C 1.184 177.311 176.117 0.016 0.000 1.221 166 I CA 0.944 62.254 61.300 0.017 0.000 1.424 166 I CB 0.332 38.349 38.000 0.028 0.000 1.358 166 I HN 0.179 nan 8.210 nan 0.000 0.551 167 K N 3.035 123.438 120.400 0.004 0.000 2.168 167 K HA 0.016 4.920 4.320 0.974 0.000 0.201 167 K C 0.771 177.372 176.600 0.002 0.000 1.049 167 K CA 0.766 57.054 56.287 0.002 0.000 0.974 167 K CB 0.255 32.751 32.500 -0.006 0.000 0.792 167 K HN 0.738 nan 8.250 nan 0.000 0.463 168 T N 0.379 114.928 114.554 -0.009 0.000 2.879 168 T HA 0.493 5.427 4.350 0.974 0.000 0.290 168 T C -1.713 172.974 174.700 -0.021 0.000 0.993 168 T CA -0.861 61.229 62.100 -0.016 0.000 0.975 168 T CB 1.167 70.014 68.868 -0.034 0.000 0.981 168 T HN -0.032 nan 8.240 nan 0.000 0.439 169 L N 5.571 126.796 121.223 0.003 0.000 2.406 169 L HA 0.853 5.778 4.340 0.974 0.000 0.272 169 L C -1.825 175.060 176.870 0.025 0.000 0.980 169 L CA -0.727 54.120 54.840 0.010 0.000 0.831 169 L CB 1.627 43.724 42.059 0.064 0.000 1.253 169 L HN 0.862 nan 8.230 nan 0.000 0.406 170 L N 5.210 126.423 121.223 -0.017 0.000 2.408 170 L HA 0.576 5.501 4.340 0.974 0.000 0.268 170 L C -0.522 176.371 176.870 0.038 0.000 0.986 170 L CA -0.332 54.512 54.840 0.008 0.000 0.820 170 L CB 2.192 44.211 42.059 -0.067 0.000 1.303 170 L HN 0.891 nan 8.230 nan 0.000 0.411 171 M N 2.441 122.129 119.600 0.145 0.000 2.340 171 M HA 0.220 5.285 4.480 0.974 0.000 0.345 171 M C 0.081 176.533 176.300 0.252 0.000 1.008 171 M CA -0.146 55.285 55.300 0.218 0.000 0.987 171 M CB 0.725 33.519 32.600 0.324 0.000 1.598 171 M HN 0.576 nan 8.290 nan 0.000 0.569 172 E N 2.755 123.068 120.200 0.188 0.000 2.820 172 E HA -0.216 4.719 4.350 0.974 0.000 0.251 172 E C 0.261 176.935 176.600 0.125 0.000 0.944 172 E CA 0.915 57.418 56.400 0.172 0.000 0.955 172 E CB 0.204 29.988 29.700 0.141 0.000 0.904 172 E HN 0.401 nan 8.360 nan 0.000 0.513 173 E N 1.726 121.977 120.200 0.084 0.000 3.801 173 E HA -0.217 4.717 4.350 0.974 0.000 0.319 173 E C -0.859 175.746 176.600 0.008 0.000 0.784 173 E CA 0.676 57.074 56.400 -0.003 0.000 1.183 173 E CB -0.912 28.776 29.700 -0.020 0.000 1.601 173 E HN 0.448 nan 8.360 nan 0.000 0.441 174 S N -0.023 115.744 115.700 0.110 0.000 2.592 174 S HA 0.375 5.430 4.470 0.974 0.000 0.271 174 S C -0.236 174.326 174.600 -0.063 0.000 1.326 174 S CA 0.059 58.356 58.200 0.162 0.000 1.024 174 S CB 1.420 64.896 63.200 0.461 0.000 0.921 174 S HN 0.395 nan 8.310 nan 0.000 0.527 175 S N 2.502 118.087 115.700 -0.192 0.000 2.519 175 S HA 0.827 5.882 4.470 0.974 0.000 0.309 175 S C -0.683 173.529 174.600 -0.648 0.000 1.100 175 S CA -0.826 57.041 58.200 -0.554 0.000 1.059 175 S CB 0.378 63.352 63.200 -0.377 0.000 1.008 175 S HN 0.609 nan 8.310 nan 0.000 0.478 176 F N -0.671 118.922 119.950 -0.595 0.000 2.754 176 F HA 0.820 5.930 4.527 0.973 0.000 0.320 176 F C -0.437 175.096 175.800 -0.445 0.000 1.156 176 F CA -1.294 56.250 58.000 -0.759 0.000 0.950 176 F CB 0.941 39.233 39.000 -1.180 0.000 1.388 176 F HN 0.407 nan 8.300 nan 0.000 0.485 177 S N 0.279 115.968 115.700 -0.018 0.000 2.429 177 S HA 0.238 5.292 4.470 0.974 0.000 0.302 177 S C -0.779 173.896 174.600 0.124 0.000 1.115 177 S CA -0.584 57.616 58.200 -0.000 0.000 1.095 177 S CB 0.765 63.954 63.200 -0.018 0.000 0.987 177 S HN 0.603 nan 8.310 nan 0.000 0.474 178 E N 3.069 123.336 120.200 0.111 0.000 2.046 178 E HA 0.202 5.137 4.350 0.974 0.000 0.279 178 E C 0.179 176.848 176.600 0.116 0.000 0.989 178 E CA -0.217 56.281 56.400 0.164 0.000 0.798 178 E CB 0.352 30.166 29.700 0.191 0.000 1.086 178 E HN 0.505 nan 8.360 nan 0.000 0.399 179 K N 2.814 123.286 120.400 0.119 0.000 2.334 179 K HA 0.064 4.968 4.320 0.974 0.000 0.195 179 K C -0.268 176.394 176.600 0.104 0.000 1.045 179 K CA 0.701 57.043 56.287 0.091 0.000 1.004 179 K CB 0.315 32.860 32.500 0.075 0.000 0.837 179 K HN 0.570 nan 8.250 nan 0.000 0.510 180 D N -3.126 117.366 120.400 0.154 0.000 3.010 180 D HA 0.097 5.321 4.640 0.974 0.000 0.353 180 D C 0.186 176.606 176.300 0.201 0.000 1.415 180 D CA -0.646 53.439 54.000 0.141 0.000 0.864 180 D CB 0.100 40.957 40.800 0.095 0.000 1.445 180 D HN -0.139 nan 8.370 nan 0.000 0.516 181 G N -1.432 107.425 108.800 0.095 0.000 3.228 181 G HA2 0.061 4.605 3.960 0.974 0.000 0.245 181 G HA3 0.061 4.605 3.960 0.974 0.000 0.245 181 G C 0.706 175.525 174.900 -0.135 0.000 1.051 181 G CA -0.075 45.003 45.100 -0.035 0.000 0.809 181 G HN 0.424 nan 8.290 nan 0.000 0.531 182 K N 0.837 121.242 120.400 0.008 0.000 2.152 182 K HA -0.157 4.748 4.320 0.974 0.000 0.206 182 K C 2.235 178.853 176.600 0.030 0.000 1.048 182 K CA 1.353 57.644 56.287 0.006 0.000 0.933 182 K CB -0.463 32.055 32.500 0.029 0.000 0.721 182 K HN 0.591 nan 8.250 nan 0.000 0.447 183 W N 2.208 123.510 121.300 0.004 0.000 2.318 183 W HA -0.211 5.035 4.660 0.977 0.000 0.313 183 W C 1.525 178.030 176.519 -0.023 0.000 1.221 183 W CA 0.700 58.035 57.345 -0.015 0.000 1.266 183 W CB -1.108 28.322 29.460 -0.050 0.000 1.150 183 W HN 0.025 nan 8.180 nan 0.000 0.496 184 L N 0.495 120.944 121.223 -1.290 0.000 2.046 184 L HA -0.255 4.669 4.340 0.974 0.000 0.208 184 L C 2.989 179.618 176.870 -0.402 0.000 1.077 184 L CA 2.488 56.664 54.840 -1.107 0.000 0.747 184 L CB -0.841 40.431 42.059 -1.311 0.000 0.896 184 L HN 0.107 nan 8.230 nan 0.000 0.432 185 H N -0.535 118.327 119.070 -0.346 0.000 2.357 185 H HA -0.241 4.899 4.556 0.974 0.000 0.301 185 H C 2.127 177.402 175.328 -0.088 0.000 1.082 185 H CA 1.840 57.781 56.048 -0.178 0.000 1.342 185 H CB 0.290 29.972 29.762 -0.134 0.000 1.389 185 H HN 0.267 nan 8.280 nan 0.000 0.511 186 E N 0.374 120.645 120.200 0.118 0.000 2.160 186 E HA -0.142 4.793 4.350 0.974 0.000 0.195 186 E C 2.139 178.794 176.600 0.093 0.000 0.991 186 E CA 1.113 57.601 56.400 0.147 0.000 0.810 186 E CB -0.352 29.433 29.700 0.142 0.000 0.742 186 E HN 0.578 nan 8.360 nan 0.000 0.466 187 L N -0.266 120.970 121.223 0.022 0.000 2.005 187 L HA -0.158 4.766 4.340 0.974 0.000 0.207 187 L C 2.502 179.350 176.870 -0.036 0.000 1.072 187 L CA 1.188 56.039 54.840 0.019 0.000 0.744 187 L CB -0.687 41.380 42.059 0.013 0.000 0.895 187 L HN 0.289 nan 8.230 nan 0.000 0.433 188 A N -0.690 122.053 122.820 -0.129 0.000 1.903 188 A HA -0.320 4.585 4.320 0.974 0.000 0.219 188 A C 2.140 179.600 177.584 -0.207 0.000 1.191 188 A CA 2.030 53.955 52.037 -0.185 0.000 0.638 188 A CB -0.633 18.186 19.000 -0.303 0.000 0.823 188 A HN 0.529 nan 8.150 nan 0.000 0.451 189 Q N -2.441 117.208 119.800 -0.252 0.000 2.297 189 Q HA -0.082 4.843 4.340 0.974 0.000 0.204 189 Q C 1.052 176.764 176.000 -0.481 0.000 0.962 189 Q CA 1.093 56.680 55.803 -0.360 0.000 0.879 189 Q CB 0.076 28.608 28.738 -0.344 0.000 0.947 189 Q HN 0.864 nan 8.270 nan 0.000 0.462 190 H N -2.610 116.431 119.070 -0.049 0.000 3.794 190 H HA 0.153 5.294 4.556 0.974 0.000 0.258 190 H C -0.256 175.061 175.328 -0.019 0.000 1.120 190 H CA -0.157 55.875 56.048 -0.026 0.000 1.166 190 H CB 0.584 30.337 29.762 -0.015 0.000 1.517 190 H HN 0.090 nan 8.280 nan 0.000 0.615 191 N N 0.412 119.159 118.700 0.078 0.000 2.498 191 N HA 0.107 5.431 4.740 0.974 0.000 0.287 191 N C 0.552 176.076 175.510 0.023 0.000 1.097 191 N CA 0.321 53.402 53.050 0.053 0.000 0.973 191 N CB 1.657 40.176 38.487 0.053 0.000 1.153 191 N HN -0.114 nan 8.380 nan 0.000 0.472 192 T N -0.523 114.045 114.554 0.023 0.000 3.010 192 T HA 0.031 4.966 4.350 0.974 0.000 0.253 192 T C 1.304 176.010 174.700 0.010 0.000 0.939 192 T CA 0.220 62.326 62.100 0.010 0.000 0.910 192 T CB -0.025 68.848 68.868 0.009 0.000 1.226 192 T HN 0.623 nan 8.240 nan 0.000 0.508 193 S N 1.202 116.912 115.700 0.016 0.000 2.496 193 S HA 0.215 5.269 4.470 0.974 0.000 0.224 193 S C 0.713 175.321 174.600 0.014 0.000 0.996 193 S CA -0.279 57.928 58.200 0.012 0.000 0.927 193 S CB -0.398 62.809 63.200 0.012 0.000 0.774 193 S HN 0.217 nan 8.310 nan 0.000 0.524 194 L N 2.754 123.991 121.223 0.023 0.000 2.706 194 L HA -0.017 4.908 4.340 0.974 0.000 0.282 194 L C 1.097 177.980 176.870 0.022 0.000 1.219 194 L CA 0.949 55.807 54.840 0.029 0.000 0.935 194 L CB -0.157 41.930 42.059 0.045 0.000 1.204 194 L HN 0.281 nan 8.230 nan 0.000 0.491 195 E N 2.222 122.432 120.200 0.016 0.000 2.367 195 E HA 0.188 5.123 4.350 0.974 0.000 0.204 195 E C -0.726 175.880 176.600 0.010 0.000 0.840 195 E CA 0.157 56.562 56.400 0.009 0.000 1.051 195 E CB 1.133 30.832 29.700 -0.002 0.000 1.051 195 E HN 0.395 nan 8.360 nan 0.000 0.509 196 V N 1.536 121.455 119.914 0.008 0.000 2.668 196 V HA 0.520 5.225 4.120 0.974 0.000 0.304 196 V C -2.073 174.027 176.094 0.010 0.000 1.071 196 V CA -0.875 61.425 62.300 0.000 0.000 0.894 196 V CB 1.775 33.584 31.823 -0.024 0.000 1.008 196 V HN 0.038 nan 8.190 nan 0.000 0.425 197 L N 5.800 127.029 121.223 0.010 0.000 2.385 197 L HA 0.797 5.722 4.340 0.974 0.000 0.273 197 L C -1.022 175.815 176.870 -0.054 0.000 0.990 197 L CA -0.033 54.829 54.840 0.037 0.000 0.821 197 L CB 1.935 44.043 42.059 0.082 0.000 1.279 197 L HN 0.877 nan 8.230 nan 0.000 0.412 198 N N 4.369 123.068 118.700 -0.001 0.000 2.571 198 N HA 0.355 5.679 4.740 0.974 0.000 0.286 198 N C -1.675 173.899 175.510 0.106 0.000 1.138 198 N CA -0.448 52.559 53.050 -0.072 0.000 0.859 198 N CB 0.613 39.075 38.487 -0.042 0.000 1.414 198 N HN 0.431 nan 8.380 nan 0.000 0.529 199 F N 2.710 122.742 119.950 0.137 0.000 2.542 199 F HA 0.397 5.508 4.527 0.973 0.000 0.323 199 F C 0.424 176.368 175.800 0.240 0.000 1.411 199 F CA -0.969 57.173 58.000 0.237 0.000 1.124 199 F CB -0.141 39.082 39.000 0.370 0.000 1.331 199 F HN 0.254 nan 8.300 nan 0.000 0.560 200 Y N 1.703 122.033 120.300 0.050 0.000 2.263 200 Y HA 0.190 5.324 4.550 0.973 0.000 0.292 200 Y C 0.897 176.782 175.900 -0.026 0.000 1.130 200 Y CA 1.170 59.239 58.100 -0.052 0.000 1.179 200 Y CB 0.226 38.637 38.460 -0.081 0.000 0.998 200 Y HN 0.439 nan 8.280 nan 0.000 0.532 201 M N 1.520 121.079 119.600 -0.069 0.000 3.106 201 M HA 0.230 5.294 4.480 0.974 0.000 0.213 201 M C -0.872 175.358 176.300 -0.116 0.000 1.117 201 M CA -0.045 55.099 55.300 -0.260 0.000 0.900 201 M CB 0.312 32.744 32.600 -0.281 0.000 1.339 201 M HN 0.157 nan 8.290 nan 0.000 0.542 202 T N -2.346 112.201 114.554 -0.011 0.000 2.916 202 T HA 0.525 5.460 4.350 0.974 0.000 0.298 202 T C -0.668 173.995 174.700 -0.062 0.000 1.031 202 T CA -1.024 61.065 62.100 -0.018 0.000 0.993 202 T CB 1.582 70.623 68.868 0.288 0.000 1.045 202 T HN 0.266 nan 8.240 nan 0.000 0.454 203 E N 2.854 122.885 120.200 -0.283 0.000 1.893 203 E HA 0.277 5.211 4.350 0.974 0.000 0.269 203 E C -1.228 175.215 176.600 -0.262 0.000 1.129 203 E CA -0.217 56.048 56.400 -0.226 0.000 0.904 203 E CB -0.071 29.467 29.700 -0.270 0.000 1.077 203 E HN 0.559 nan 8.360 nan 0.000 0.407 204 F N 0.758 120.714 119.950 0.010 0.000 2.426 204 F HA 0.401 5.512 4.527 0.974 0.000 0.348 204 F C 0.863 176.632 175.800 -0.052 0.000 1.124 204 F CA -0.692 57.320 58.000 0.021 0.000 1.008 204 F CB 1.938 40.907 39.000 -0.051 0.000 1.139 204 F HN 0.459 nan 8.300 nan 0.000 0.452 205 A N 2.894 125.813 122.820 0.165 0.000 2.469 205 A HA 0.257 5.162 4.320 0.974 0.000 0.245 205 A C 1.017 178.663 177.584 0.105 0.000 1.221 205 A CA -0.097 51.995 52.037 0.092 0.000 0.946 205 A CB 0.027 19.058 19.000 0.053 0.000 1.049 205 A HN 0.703 nan 8.150 nan 0.000 0.529 206 K N 0.638 121.125 120.400 0.146 0.000 2.469 206 K HA 0.317 5.222 4.320 0.974 0.000 0.204 206 K C -0.172 176.473 176.600 0.074 0.000 1.047 206 K CA -0.014 56.341 56.287 0.113 0.000 1.072 206 K CB 0.437 33.014 32.500 0.129 0.000 0.863 206 K HN 0.682 nan 8.250 nan 0.000 0.530 207 I N -2.060 118.542 120.570 0.053 0.000 2.460 207 I HA 0.384 5.139 4.170 0.974 0.000 0.298 207 I C -0.196 176.008 176.117 0.144 0.000 0.989 207 I CA -0.824 60.457 61.300 -0.031 0.000 1.173 207 I CB 1.947 39.789 38.000 -0.264 0.000 1.338 207 I HN -0.226 nan 8.210 nan 0.000 0.456 208 S N 6.222 121.972 115.700 0.083 0.000 2.452 208 S HA 0.405 5.460 4.470 0.974 0.000 0.284 208 S C -1.151 173.464 174.600 0.026 0.000 1.171 208 S CA -1.578 56.677 58.200 0.092 0.000 1.064 208 S CB 0.852 64.071 63.200 0.031 0.000 0.967 208 S HN 0.643 nan 8.310 nan 0.000 0.484 209 P HA -0.172 nan 4.420 nan 0.000 0.217 209 P C 1.021 178.164 177.300 -0.262 0.000 1.148 209 P CA 1.097 63.861 63.100 -0.559 0.000 0.828 209 P CB 0.115 31.390 31.700 -0.708 0.000 0.783 210 K N 0.289 120.605 120.400 -0.141 0.000 2.034 210 K HA -0.181 4.723 4.320 0.974 0.000 0.214 210 K C 1.755 178.300 176.600 -0.091 0.000 1.051 210 K CA 1.451 57.683 56.287 -0.091 0.000 0.931 210 K CB -1.148 31.321 32.500 -0.052 0.000 0.715 210 K HN 0.215 nan 8.250 nan 0.000 0.446 211 D N 1.032 121.375 120.400 -0.096 0.000 2.123 211 D HA -0.158 5.066 4.640 0.974 0.000 0.196 211 D C 1.965 178.203 176.300 -0.103 0.000 0.992 211 D CA 0.724 54.643 54.000 -0.135 0.000 0.833 211 D CB -0.186 40.520 40.800 -0.155 0.000 0.954 211 D HN 0.015 nan 8.370 nan 0.000 0.455 212 L N 1.405 122.576 121.223 -0.087 0.000 2.046 212 L HA -0.135 4.789 4.340 0.974 0.000 0.208 212 L C 2.156 179.085 176.870 0.098 0.000 1.077 212 L CA 1.764 56.580 54.840 -0.040 0.000 0.747 212 L CB -0.671 41.282 42.059 -0.176 0.000 0.896 212 L HN 0.011 nan 8.230 nan 0.000 0.432 213 E N -1.404 118.830 120.200 0.057 0.000 2.077 213 E HA -0.266 4.669 4.350 0.974 0.000 0.193 213 E C 2.044 178.661 176.600 0.028 0.000 0.989 213 E CA 1.631 58.099 56.400 0.114 0.000 0.800 213 E CB -0.207 29.507 29.700 0.024 0.000 0.746 213 E HN 0.572 nan 8.360 nan 0.000 0.452 214 T N -0.320 114.216 114.554 -0.030 0.000 2.929 214 T HA -0.087 4.847 4.350 0.974 0.000 0.271 214 T C 1.871 176.542 174.700 -0.049 0.000 1.085 214 T CA 1.069 63.132 62.100 -0.062 0.000 1.125 214 T CB -0.266 68.536 68.868 -0.110 0.000 0.874 214 T HN 0.226 nan 8.240 nan 0.000 0.494 215 I N 0.954 121.514 120.570 -0.016 0.000 2.333 215 I HA 0.043 4.797 4.170 0.974 0.000 0.246 215 I C 3.067 179.198 176.117 0.024 0.000 1.106 215 I CA 0.964 62.266 61.300 0.003 0.000 1.411 215 I CB -0.547 37.474 38.000 0.036 0.000 1.082 215 I HN 0.343 nan 8.210 nan 0.000 0.420 216 A N 0.645 123.499 122.820 0.057 0.000 2.019 216 A HA -0.216 4.689 4.320 0.974 0.000 0.219 216 A C 2.352 179.894 177.584 -0.070 0.000 1.164 216 A CA 1.474 53.500 52.037 -0.019 0.000 0.644 216 A CB -0.513 18.395 19.000 -0.154 0.000 0.805 216 A HN 0.289 nan 8.150 nan 0.000 0.449 217 R N -0.347 120.120 120.500 -0.055 0.000 2.073 217 R HA -0.060 4.865 4.340 0.974 0.000 0.229 217 R C 1.385 177.655 176.300 -0.050 0.000 1.120 217 R CA 1.630 57.694 56.100 -0.061 0.000 0.967 217 R CB -0.127 30.138 30.300 -0.058 0.000 0.862 217 R HN 0.491 nan 8.270 nan 0.000 0.436 218 N N -1.093 117.582 118.700 -0.042 0.000 2.424 218 N HA 0.010 5.334 4.740 0.974 0.000 0.178 218 N C -0.543 174.953 175.510 -0.023 0.000 1.060 218 N CA 0.476 53.504 53.050 -0.036 0.000 0.901 218 N CB 0.366 38.828 38.487 -0.041 0.000 0.979 218 N HN 0.114 nan 8.380 nan 0.000 0.451 219 C N 1.614 120.903 119.300 -0.018 0.000 2.184 219 C HA 0.378 5.423 4.460 0.974 0.000 0.328 219 C C 1.568 176.549 174.990 -0.016 0.000 1.081 219 C CA -0.886 58.128 59.018 -0.008 0.000 1.533 219 C CB 0.037 27.783 27.740 0.010 0.000 1.905 219 C HN 0.194 nan 8.230 nan 0.000 0.439 220 R N 1.151 121.640 120.500 -0.018 0.000 2.152 220 R HA -0.045 4.880 4.340 0.974 0.000 0.232 220 R C 1.755 178.044 176.300 -0.020 0.000 1.117 220 R CA 1.050 57.136 56.100 -0.024 0.000 0.981 220 R CB -0.209 30.079 30.300 -0.021 0.000 0.870 220 R HN 0.587 nan 8.270 nan 0.000 0.451 221 S N 0.150 115.843 115.700 -0.012 0.000 2.622 221 S HA 0.172 5.226 4.470 0.974 0.000 0.236 221 S C -0.240 174.358 174.600 -0.003 0.000 0.956 221 S CA -0.500 57.694 58.200 -0.009 0.000 0.971 221 S CB 0.005 63.200 63.200 -0.007 0.000 0.782 221 S HN 0.033 nan 8.310 nan 0.000 0.468 222 L N 2.405 123.627 121.223 -0.002 0.000 2.456 222 L HA 0.223 5.147 4.340 0.974 0.000 0.277 222 L C 0.730 177.609 176.870 0.016 0.000 1.124 222 L CA 0.585 55.434 54.840 0.014 0.000 0.880 222 L CB 0.473 42.547 42.059 0.024 0.000 1.192 222 L HN 0.031 nan 8.230 nan 0.000 0.463 223 V N 2.451 122.377 119.914 0.021 0.000 3.013 223 V HA 0.259 4.963 4.120 0.974 0.000 0.238 223 V C 0.672 176.788 176.094 0.036 0.000 1.161 223 V CA 0.725 63.037 62.300 0.019 0.000 1.170 223 V CB 0.594 32.419 31.823 0.004 0.000 0.917 223 V HN 0.767 nan 8.190 nan 0.000 0.478 224 S N 0.229 115.946 115.700 0.029 0.000 2.557 224 S HA 0.688 5.743 4.470 0.974 0.000 0.291 224 S C -1.337 173.272 174.600 0.014 0.000 1.116 224 S CA -0.345 57.867 58.200 0.019 0.000 0.992 224 S CB 1.782 64.965 63.200 -0.028 0.000 1.028 224 S HN 0.458 nan 8.310 nan 0.000 0.484 225 V N 4.707 124.629 119.914 0.012 0.000 2.668 225 V HA 0.724 5.429 4.120 0.974 0.000 0.304 225 V C -1.594 174.283 176.094 -0.362 0.000 1.071 225 V CA -0.603 61.636 62.300 -0.101 0.000 0.894 225 V CB 1.668 33.509 31.823 0.030 0.000 1.008 225 V HN 0.954 nan 8.190 nan 0.000 0.425 226 K N 4.450 124.567 120.400 -0.471 0.000 2.267 226 K HA 0.919 5.823 4.320 0.974 0.000 0.246 226 K C -1.385 174.819 176.600 -0.659 0.000 0.954 226 K CA -0.832 55.087 56.287 -0.613 0.000 0.824 226 K CB 2.670 34.857 32.500 -0.521 0.000 1.167 226 K HN 0.584 nan 8.250 nan 0.000 0.431 227 V N 0.168 119.789 119.914 -0.490 0.000 3.202 227 V HA 0.441 5.145 4.120 0.974 0.000 0.306 227 V C 0.163 176.264 176.094 0.010 0.000 1.283 227 V CA -0.632 61.388 62.300 -0.466 0.000 1.065 227 V CB 2.330 33.939 31.823 -0.356 0.000 1.079 227 V HN 1.001 nan 8.190 nan 0.000 0.448 228 G N -0.428 108.490 108.800 0.196 0.000 2.546 228 G HA2 0.217 4.761 3.960 0.974 0.000 0.239 228 G HA3 0.217 4.761 3.960 0.974 0.000 0.239 228 G C -0.259 174.706 174.900 0.109 0.000 1.476 228 G CA -0.071 45.131 45.100 0.170 0.000 1.064 228 G HN 0.654 nan 8.290 nan 0.000 0.561 229 D N 0.353 120.801 120.400 0.080 0.000 3.038 229 D HA 0.188 5.413 4.640 0.974 0.000 0.243 229 D C -0.035 176.381 176.300 0.193 0.000 1.245 229 D CA -0.032 54.065 54.000 0.160 0.000 0.871 229 D CB -0.497 40.389 40.800 0.143 0.000 1.089 229 D HN 0.118 nan 8.370 nan 0.000 0.464 230 F N 1.070 121.136 119.950 0.194 0.000 2.563 230 F HA -0.036 5.076 4.527 0.975 0.000 0.363 230 F C 1.593 177.495 175.800 0.170 0.000 1.123 230 F CA -0.242 57.854 58.000 0.160 0.000 1.307 230 F CB 0.797 39.879 39.000 0.137 0.000 1.115 230 F HN -0.171 nan 8.300 nan 0.000 0.592 231 E N 3.550 123.980 120.200 0.383 0.000 2.265 231 E HA 0.016 4.951 4.350 0.974 0.000 0.272 231 E C 0.928 177.682 176.600 0.256 0.000 1.067 231 E CA -0.008 56.559 56.400 0.278 0.000 0.900 231 E CB 0.775 30.601 29.700 0.209 0.000 1.017 231 E HN 0.522 nan 8.360 nan 0.000 0.431 232 I N 4.795 125.543 120.570 0.297 0.000 2.185 232 I HA -0.362 4.392 4.170 0.974 0.000 0.246 232 I C 2.182 178.455 176.117 0.260 0.000 1.088 232 I CA 1.256 62.729 61.300 0.289 0.000 1.347 232 I CB -0.250 37.891 38.000 0.235 0.000 1.041 232 I HN 0.628 nan 8.210 nan 0.000 0.415 233 L N -0.300 121.098 121.223 0.292 0.000 2.127 233 L HA -0.250 4.674 4.340 0.974 0.000 0.211 233 L C 2.185 179.104 176.870 0.080 0.000 1.089 233 L CA 1.356 56.301 54.840 0.174 0.000 0.757 233 L CB -0.545 41.573 42.059 0.098 0.000 0.899 233 L HN 0.340 nan 8.230 nan 0.000 0.434 234 E N -0.330 119.901 120.200 0.051 0.000 2.478 234 E HA -0.115 4.820 4.350 0.974 0.000 0.198 234 E C 1.570 178.102 176.600 -0.113 0.000 1.046 234 E CA 0.437 56.813 56.400 -0.040 0.000 0.870 234 E CB 0.150 29.808 29.700 -0.071 0.000 0.818 234 E HN 0.534 nan 8.360 nan 0.000 0.527 235 L N -0.013 121.171 121.223 -0.066 0.000 2.728 235 L HA 0.058 4.982 4.340 0.974 0.000 0.238 235 L C 1.625 178.494 176.870 -0.001 0.000 1.143 235 L CA -0.180 54.571 54.840 -0.148 0.000 0.937 235 L CB 0.642 42.517 42.059 -0.307 0.000 1.225 235 L HN -0.003 nan 8.230 nan 0.000 0.507 236 V N 0.124 120.094 119.914 0.094 0.000 2.407 236 V HA -0.186 4.519 4.120 0.974 0.000 0.248 236 V C 2.599 178.737 176.094 0.073 0.000 1.055 236 V CA 2.049 64.435 62.300 0.144 0.000 1.049 236 V CB -1.180 30.680 31.823 0.062 0.000 0.662 236 V HN 0.584 nan 8.190 nan 0.000 0.455 237 G N -0.172 108.641 108.800 0.021 0.000 2.514 237 G HA2 -0.348 4.197 3.960 0.974 0.000 0.217 237 G HA3 -0.348 4.197 3.960 0.974 0.000 0.217 237 G C 1.471 176.365 174.900 -0.009 0.000 1.198 237 G CA 1.223 46.320 45.100 -0.005 0.000 0.780 237 G HN 0.455 nan 8.290 nan 0.000 0.565 238 F N 1.175 121.019 119.950 -0.175 0.000 2.024 238 F HA -0.209 4.903 4.527 0.974 0.000 0.296 238 F C 2.490 178.184 175.800 -0.177 0.000 1.137 238 F CA 2.177 60.035 58.000 -0.237 0.000 1.200 238 F CB -0.758 37.996 39.000 -0.410 0.000 0.954 238 F HN 0.147 nan 8.300 nan 0.000 0.497 239 F N 0.458 120.313 119.950 -0.158 0.000 2.154 239 F HA -0.248 4.863 4.527 0.974 0.000 0.301 239 F C 2.455 178.088 175.800 -0.279 0.000 1.087 239 F CA 1.755 59.584 58.000 -0.285 0.000 1.274 239 F CB -0.552 38.361 39.000 -0.146 0.000 1.009 239 F HN -0.023 nan 8.300 nan 0.000 0.485 240 K N -0.025 120.364 120.400 -0.019 0.000 2.057 240 K HA -0.119 4.786 4.320 0.974 0.000 0.206 240 K C 2.266 178.797 176.600 -0.115 0.000 1.050 240 K CA 1.141 57.391 56.287 -0.061 0.000 0.935 240 K CB -0.363 32.109 32.500 -0.047 0.000 0.715 240 K HN 0.233 nan 8.250 nan 0.000 0.439 241 A N 1.149 123.869 122.820 -0.168 0.000 2.016 241 A HA 0.075 4.980 4.320 0.974 0.000 0.217 241 A C 1.571 179.020 177.584 -0.224 0.000 1.162 241 A CA 1.015 52.948 52.037 -0.173 0.000 0.662 241 A CB -0.134 18.774 19.000 -0.153 0.000 0.812 241 A HN 0.253 nan 8.150 nan 0.000 0.450 242 A N 0.150 122.746 122.820 -0.372 0.000 3.077 242 A HA 0.568 5.472 4.320 0.974 0.000 0.255 242 A C 1.566 179.041 177.584 -0.182 0.000 1.728 242 A CA 0.603 52.423 52.037 -0.361 0.000 1.383 242 A CB -1.011 17.570 19.000 -0.699 0.000 1.097 242 A HN 0.847 nan 8.150 nan 0.000 0.634 243 A N 1.489 124.234 122.820 -0.126 0.000 1.873 243 A HA -0.202 4.702 4.320 0.974 0.000 0.218 243 A C 1.689 179.235 177.584 -0.063 0.000 1.193 243 A CA 1.906 53.892 52.037 -0.084 0.000 0.629 243 A CB -0.367 18.592 19.000 -0.068 0.000 0.826 243 A HN 0.606 nan 8.150 nan 0.000 0.447 244 N N -0.542 118.126 118.700 -0.053 0.000 2.383 244 N HA 0.122 5.446 4.740 0.974 0.000 0.192 244 N C -0.144 175.356 175.510 -0.017 0.000 1.141 244 N CA -0.146 52.885 53.050 -0.033 0.000 0.851 244 N CB -0.308 38.163 38.487 -0.027 0.000 0.976 244 N HN 0.368 nan 8.380 nan 0.000 0.465 245 L N 1.490 122.705 121.223 -0.013 0.000 2.559 245 L HA -0.054 4.871 4.340 0.974 0.000 0.274 245 L C 1.156 178.050 176.870 0.039 0.000 1.205 245 L CA 0.918 55.780 54.840 0.035 0.000 0.907 245 L CB 0.445 42.549 42.059 0.076 0.000 1.153 245 L HN 0.151 nan 8.230 nan 0.000 0.490 246 E N 2.336 122.565 120.200 0.047 0.000 2.434 246 E HA 0.125 5.060 4.350 0.974 0.000 0.207 246 E C -0.199 176.433 176.600 0.054 0.000 0.929 246 E CA 0.047 56.468 56.400 0.034 0.000 1.001 246 E CB 0.761 30.470 29.700 0.015 0.000 1.016 246 E HN 0.651 nan 8.360 nan 0.000 0.502 247 E N 0.418 120.666 120.200 0.080 0.000 2.272 247 E HA 0.420 5.354 4.350 0.974 0.000 0.269 247 E C -1.860 174.846 176.600 0.176 0.000 0.877 247 E CA -0.614 55.831 56.400 0.075 0.000 0.755 247 E CB 1.611 31.310 29.700 -0.003 0.000 1.192 247 E HN -0.058 nan 8.360 nan 0.000 0.422 248 F N 4.479 124.445 119.950 0.027 0.000 2.588 248 F HA 0.559 5.671 4.527 0.976 0.000 0.318 248 F C -1.674 174.119 175.800 -0.012 0.000 1.155 248 F CA -0.448 57.596 58.000 0.072 0.000 0.967 248 F CB 1.024 40.194 39.000 0.284 0.000 1.236 248 F HN 0.581 nan 8.300 nan 0.000 0.455 249 C N 3.760 122.680 119.300 -0.633 0.000 2.802 249 C HA 1.026 6.071 4.460 0.974 0.000 0.307 249 C C 0.450 175.076 174.990 -0.606 0.000 1.222 249 C CA 0.013 58.754 59.018 -0.462 0.000 1.580 249 C CB 0.873 28.115 27.740 -0.830 0.000 2.119 249 C HN 1.389 nan 8.230 nan 0.000 0.479 250 G N 0.761 109.590 108.800 0.048 0.000 2.384 250 G HA2 0.529 5.074 3.960 0.974 0.000 0.204 250 G HA3 0.529 5.074 3.960 0.974 0.000 0.204 250 G C -0.002 175.101 174.900 0.339 0.000 1.237 250 G CA 0.172 45.388 45.100 0.194 0.000 1.060 250 G HN 2.745 nan 8.290 nan 0.000 0.514 251 G N -1.701 107.301 108.800 0.336 0.000 2.760 251 G HA2 0.420 4.965 3.960 0.974 0.000 0.246 251 G HA3 0.420 4.965 3.960 0.974 0.000 0.246 251 G C 0.124 175.244 174.900 0.367 0.000 1.359 251 G CA 1.049 46.418 45.100 0.450 0.000 0.861 251 G HN 2.404 nan 8.290 nan 0.000 0.541 252 S N -0.875 115.042 115.700 0.363 0.000 2.720 252 S HA 0.597 5.651 4.470 0.974 0.000 0.278 252 S C -0.376 174.382 174.600 0.262 0.000 1.172 252 S CA -0.604 57.820 58.200 0.373 0.000 1.019 252 S CB 0.577 63.970 63.200 0.320 0.000 1.049 252 S HN 0.884 nan 8.310 nan 0.000 0.483 253 L N 5.368 126.714 121.223 0.206 0.000 2.268 253 L HA 0.494 5.418 4.340 0.974 0.000 0.289 253 L C -0.233 176.742 176.870 0.174 0.000 1.064 253 L CA -0.507 54.350 54.840 0.028 0.000 0.824 253 L CB 0.559 42.531 42.059 -0.147 0.000 1.202 253 L HN 0.567 nan 8.230 nan 0.000 0.433 254 N N 4.011 122.892 118.700 0.300 0.000 2.476 254 N HA 0.192 5.517 4.740 0.974 0.000 0.257 254 N C -0.682 174.989 175.510 0.268 0.000 0.970 254 N CA -0.521 52.658 53.050 0.215 0.000 0.938 254 N CB 1.833 40.409 38.487 0.148 0.000 1.144 254 N HN 0.583 nan 8.380 nan 0.000 0.500 255 E N 0.837 121.156 120.200 0.199 0.000 2.197 255 E HA 0.245 5.179 4.350 0.974 0.000 0.281 255 E C -0.822 175.825 176.600 0.079 0.000 0.995 255 E CA -0.840 55.660 56.400 0.166 0.000 0.808 255 E CB 1.133 30.928 29.700 0.157 0.000 1.093 255 E HN 0.416 nan 8.360 nan 0.000 0.394 256 D N 3.783 124.207 120.400 0.040 0.000 2.326 256 D HA 0.113 5.338 4.640 0.974 0.000 0.248 256 D C 0.834 177.143 176.300 0.014 0.000 1.001 256 D CA -0.750 53.262 54.000 0.019 0.000 0.961 256 D CB 1.150 41.951 40.800 0.003 0.000 1.183 256 D HN 0.357 nan 8.370 nan 0.000 0.502 257 I N 0.619 121.196 120.570 0.012 0.000 2.617 257 I HA -0.007 4.748 4.170 0.974 0.000 0.256 257 I C 2.485 178.603 176.117 0.002 0.000 1.167 257 I CA 0.662 61.969 61.300 0.011 0.000 1.469 257 I CB -1.699 36.309 38.000 0.012 0.000 1.098 257 I HN 0.691 nan 8.210 nan 0.000 0.436 258 G N 1.400 110.198 108.800 -0.005 0.000 2.516 258 G HA2 -0.166 4.378 3.960 0.974 0.000 0.221 258 G HA3 -0.166 4.378 3.960 0.974 0.000 0.221 258 G C 0.905 175.792 174.900 -0.021 0.000 1.107 258 G CA 0.383 45.476 45.100 -0.011 0.000 0.747 258 G HN 0.319 nan 8.290 nan 0.000 0.567 259 M N 0.100 119.683 119.600 -0.028 0.000 2.035 259 M HA 0.246 5.310 4.480 0.974 0.000 0.286 259 M C -2.303 173.981 176.300 -0.028 0.000 0.907 259 M CA -1.680 53.594 55.300 -0.043 0.000 0.935 259 M CB 2.856 35.404 32.600 -0.086 0.000 1.557 259 M HN -0.173 nan 8.290 nan 0.000 0.426 260 P HA -0.003 nan 4.420 nan 0.000 0.221 260 P C 0.001 177.310 177.300 0.015 0.000 1.155 260 P CA 0.987 64.093 63.100 0.010 0.000 0.812 260 P CB 0.378 32.085 31.700 0.012 0.000 0.801 261 E N -0.224 119.973 120.200 -0.005 0.000 3.012 261 E HA 0.090 5.025 4.350 0.974 0.000 0.228 261 E C 1.108 177.675 176.600 -0.056 0.000 1.184 261 E CA -0.220 56.178 56.400 -0.003 0.000 1.407 261 E CB 0.054 29.755 29.700 0.002 0.000 1.438 261 E HN 0.126 nan 8.360 nan 0.000 0.435 262 K N 0.226 120.556 120.400 -0.118 0.000 2.057 262 K HA -0.123 4.782 4.320 0.974 0.000 0.207 262 K C -0.001 176.354 176.600 -0.408 0.000 1.049 262 K CA 1.310 57.396 56.287 -0.336 0.000 0.931 262 K CB 0.217 32.386 32.500 -0.553 0.000 0.714 262 K HN 0.237 nan 8.250 nan 0.000 0.440 263 Y N -0.075 120.226 120.300 0.001 0.000 2.747 263 Y HA 0.273 5.408 4.550 0.975 0.000 0.362 263 Y C 0.242 176.130 175.900 -0.020 0.000 1.026 263 Y CA -0.724 57.367 58.100 -0.014 0.000 1.135 263 Y CB 1.136 39.597 38.460 0.001 0.000 1.175 263 Y HN -0.029 nan 8.280 nan 0.000 0.643 264 M N -0.299 119.347 119.600 0.077 0.000 2.300 264 M HA 0.229 5.294 4.480 0.974 0.000 0.313 264 M C -0.162 176.150 176.300 0.021 0.000 0.988 264 M CA 0.316 55.651 55.300 0.057 0.000 1.012 264 M CB 0.217 32.845 32.600 0.047 0.000 1.586 264 M HN 0.308 nan 8.290 nan 0.000 0.562 265 N N 1.170 119.869 118.700 -0.003 0.000 2.806 265 N HA 0.270 5.595 4.740 0.974 0.000 0.315 265 N C -1.131 174.330 175.510 -0.082 0.000 1.738 265 N CA -0.031 52.998 53.050 -0.035 0.000 0.993 265 N CB 0.857 39.325 38.487 -0.032 0.000 1.324 265 N HN 0.042 nan 8.380 nan 0.000 0.493 266 L N 1.695 122.833 121.223 -0.140 0.000 2.265 266 L HA 0.368 5.293 4.340 0.974 0.000 0.289 266 L C 0.195 176.821 176.870 -0.407 0.000 1.033 266 L CA -0.887 53.743 54.840 -0.349 0.000 0.814 266 L CB 1.127 42.836 42.059 -0.583 0.000 1.203 266 L HN 0.040 nan 8.230 nan 0.000 0.423 267 V N 1.916 121.617 119.914 -0.354 0.000 2.397 267 V HA 0.270 4.975 4.120 0.974 0.000 0.262 267 V C 0.115 175.904 176.094 -0.509 0.000 1.047 267 V CA -0.375 61.746 62.300 -0.297 0.000 1.003 267 V CB -0.943 30.786 31.823 -0.157 0.000 1.037 267 V HN 0.368 nan 8.190 nan 0.000 0.480 268 F N 5.214 124.933 119.950 -0.386 0.000 2.385 268 F HA 0.548 5.660 4.527 0.974 0.000 0.336 268 F C -1.487 174.070 175.800 -0.404 0.000 1.100 268 F CA -2.378 55.291 58.000 -0.552 0.000 1.116 268 F CB 1.339 39.962 39.000 -0.628 0.000 1.166 268 F HN 0.370 nan 8.300 nan 0.000 0.511 269 P HA 0.020 nan 4.420 nan 0.000 0.266 269 P C 0.316 177.514 177.300 -0.171 0.000 1.193 269 P CA 0.118 63.172 63.100 -0.077 0.000 0.770 269 P CB 0.587 32.286 31.700 -0.002 0.000 0.836 270 R N 2.410 122.824 120.500 -0.143 0.000 2.096 270 R HA -0.125 4.799 4.340 0.974 0.000 0.235 270 R C 1.342 177.554 176.300 -0.147 0.000 1.127 270 R CA 1.418 57.420 56.100 -0.162 0.000 0.968 270 R CB -0.295 29.945 30.300 -0.101 0.000 0.861 270 R HN 0.520 nan 8.270 nan 0.000 0.440 271 K N 0.786 121.130 120.400 -0.094 0.000 2.487 271 K HA 0.131 5.035 4.320 0.974 0.000 0.192 271 K C 0.663 177.237 176.600 -0.044 0.000 1.027 271 K CA -0.129 56.126 56.287 -0.055 0.000 1.054 271 K CB 0.146 32.627 32.500 -0.031 0.000 0.824 271 K HN 0.088 nan 8.250 nan 0.000 0.510 272 L N 1.720 122.891 121.223 -0.086 0.000 2.660 272 L HA -0.121 4.804 4.340 0.974 0.000 0.272 272 L C 0.626 177.520 176.870 0.040 0.000 1.194 272 L CA 0.478 55.292 54.840 -0.043 0.000 0.945 272 L CB 0.197 42.175 42.059 -0.135 0.000 1.212 272 L HN 0.469 nan 8.230 nan 0.000 0.490 273 C N 1.778 121.113 119.300 0.059 0.000 4.015 273 C HA 0.414 5.458 4.460 0.974 0.000 0.323 273 C C 0.560 175.573 174.990 0.039 0.000 1.724 273 C CA -0.815 58.247 59.018 0.073 0.000 1.828 273 C CB -0.171 27.599 27.740 0.051 0.000 3.083 273 C HN 0.813 nan 8.230 nan 0.000 0.640 274 R N 1.803 122.321 120.500 0.030 0.000 2.483 274 R HA 0.829 5.753 4.340 0.974 0.000 0.303 274 R C -0.897 175.410 176.300 0.012 0.000 0.987 274 R CA -0.041 56.062 56.100 0.004 0.000 0.881 274 R CB 1.557 31.851 30.300 -0.010 0.000 1.177 274 R HN 0.699 nan 8.270 nan 0.000 0.451 275 L N -1.131 120.088 121.223 -0.006 0.000 2.765 275 L HA 1.002 5.927 4.340 0.974 0.000 0.263 275 L C -1.287 175.582 176.870 -0.002 0.000 1.068 275 L CA -0.877 53.973 54.840 0.016 0.000 0.903 275 L CB 2.451 44.520 42.059 0.016 0.000 1.512 275 L HN 0.591 nan 8.230 nan 0.000 0.404 276 G N 1.811 110.644 108.800 0.056 0.000 2.078 276 G HA2 0.453 4.998 3.960 0.974 0.000 0.297 276 G HA3 0.453 4.998 3.960 0.974 0.000 0.297 276 G C -1.543 173.458 174.900 0.168 0.000 1.370 276 G CA -0.567 44.574 45.100 0.067 0.000 1.222 276 G HN 0.592 nan 8.290 nan 0.000 0.586 277 L N 1.839 123.142 121.223 0.133 0.000 2.292 277 L HA 0.458 5.382 4.340 0.974 0.000 0.284 277 L C 0.700 177.645 176.870 0.124 0.000 1.065 277 L CA -0.686 54.269 54.840 0.193 0.000 0.806 277 L CB 1.603 43.738 42.059 0.126 0.000 1.175 277 L HN 0.407 nan 8.230 nan 0.000 0.431 278 S N 1.922 117.704 115.700 0.138 0.000 2.565 278 S HA 0.207 5.261 4.470 0.974 0.000 0.276 278 S C -0.011 174.584 174.600 -0.009 0.000 1.326 278 S CA -0.203 57.956 58.200 -0.068 0.000 1.045 278 S CB 0.189 63.260 63.200 -0.215 0.000 0.918 278 S HN 0.635 nan 8.310 nan 0.000 0.505 279 Y N -1.870 118.495 120.300 0.108 0.000 4.881 279 Y HA -0.259 4.876 4.550 0.975 0.000 0.241 279 Y C 0.665 176.587 175.900 0.038 0.000 0.985 279 Y CA 0.483 58.626 58.100 0.072 0.000 1.976 279 Y CB -2.408 36.093 38.460 0.068 0.000 1.528 279 Y HN 0.727 nan 8.280 nan 0.000 0.581 280 M N 1.734 121.395 119.600 0.102 0.000 2.501 280 M HA 0.277 5.341 4.480 0.974 0.000 0.363 280 M C 0.993 177.305 176.300 0.021 0.000 1.708 280 M CA 1.271 56.587 55.300 0.027 0.000 1.078 280 M CB 0.030 32.612 32.600 -0.030 0.000 2.107 280 M HN 0.368 nan 8.290 nan 0.000 0.466 281 G N 5.208 114.026 108.800 0.031 0.000 2.537 281 G HA2 0.501 5.045 3.960 0.974 0.000 0.297 281 G HA3 0.501 5.045 3.960 0.974 0.000 0.297 281 G C -2.450 172.454 174.900 0.007 0.000 1.310 281 G CA -1.208 43.911 45.100 0.033 0.000 1.027 281 G HN 0.567 nan 8.290 nan 0.000 0.505 282 P HA -0.039 nan 4.420 nan 0.000 0.222 282 P C 1.485 178.804 177.300 0.032 0.000 1.153 282 P CA 0.583 63.696 63.100 0.022 0.000 0.798 282 P CB 0.263 31.987 31.700 0.040 0.000 0.796 283 N N 0.067 118.795 118.700 0.045 0.000 2.166 283 N HA -0.132 5.193 4.740 0.974 0.000 0.186 283 N C 1.435 176.980 175.510 0.058 0.000 1.019 283 N CA 1.186 54.273 53.050 0.061 0.000 0.856 283 N CB -0.415 38.119 38.487 0.078 0.000 0.993 283 N HN 0.384 nan 8.380 nan 0.000 0.426 284 E N 0.418 120.638 120.200 0.033 0.000 2.415 284 E HA -0.004 4.931 4.350 0.974 0.000 0.197 284 E C 1.786 178.330 176.600 -0.093 0.000 1.007 284 E CA -0.094 56.308 56.400 0.004 0.000 0.890 284 E CB -0.437 29.237 29.700 -0.043 0.000 0.891 284 E HN 0.349 nan 8.360 nan 0.000 0.496 285 M N 1.829 121.354 119.600 -0.126 0.000 2.146 285 M HA -0.125 4.940 4.480 0.974 0.000 0.256 285 M C -0.935 175.024 176.300 -0.568 0.000 1.075 285 M CA 1.928 57.069 55.300 -0.265 0.000 1.082 285 M CB -0.918 31.570 32.600 -0.186 0.000 1.355 285 M HN -0.061 nan 8.290 nan 0.000 0.402 286 P HA -0.099 nan 4.420 nan 0.000 0.225 286 P C 1.386 178.394 177.300 -0.486 0.000 1.148 286 P CA 1.266 63.947 63.100 -0.698 0.000 0.779 286 P CB -0.697 31.037 31.700 0.057 0.000 0.780 287 I N -4.757 115.667 120.570 -0.243 0.000 3.083 287 I HA -0.101 4.654 4.170 0.974 0.000 0.273 287 I C 1.339 177.431 176.117 -0.043 0.000 1.297 287 I CA 1.240 62.522 61.300 -0.031 0.000 1.452 287 I CB -0.733 37.325 38.000 0.096 0.000 1.078 287 I HN -0.069 nan 8.210 nan 0.000 0.484 288 L N -0.585 120.396 121.223 -0.403 0.000 2.354 288 L HA 0.097 5.021 4.340 0.974 0.000 0.212 288 L C 2.193 178.702 176.870 -0.602 0.000 1.091 288 L CA 0.318 54.785 54.840 -0.623 0.000 0.828 288 L CB -0.373 41.300 42.059 -0.643 0.000 0.973 288 L HN 0.106 nan 8.230 nan 0.000 0.461 289 F N 0.844 120.658 119.950 -0.227 0.000 2.120 289 F HA -0.118 4.994 4.527 0.974 0.000 0.300 289 F C -0.118 175.609 175.800 -0.122 0.000 1.095 289 F CA 0.802 58.697 58.000 -0.174 0.000 1.249 289 F CB -2.545 36.401 39.000 -0.090 0.000 0.995 289 F HN 0.101 nan 8.300 nan 0.000 0.480 290 P HA -0.210 nan 4.420 nan 0.000 0.221 290 P C 0.530 178.009 177.300 0.298 0.000 1.141 290 P CA 1.681 64.920 63.100 0.231 0.000 0.794 290 P CB -0.392 31.500 31.700 0.321 0.000 0.764 291 F N -6.819 113.154 119.950 0.038 0.000 2.895 291 F HA 0.667 5.779 4.527 0.974 0.000 0.334 291 F C 1.303 177.102 175.800 -0.001 0.000 1.252 291 F CA -0.464 57.542 58.000 0.010 0.000 1.056 291 F CB -0.756 38.238 39.000 -0.010 0.000 1.311 291 F HN -0.275 nan 8.300 nan 0.000 0.506 292 A N 1.176 123.829 122.820 -0.279 0.000 2.024 292 A HA 0.059 4.963 4.320 0.974 0.000 0.220 292 A C 2.354 179.893 177.584 -0.076 0.000 1.164 292 A CA 1.815 53.714 52.037 -0.230 0.000 0.643 292 A CB -0.938 17.997 19.000 -0.110 0.000 0.806 292 A HN 0.713 nan 8.150 nan 0.000 0.451 293 A N -1.185 121.630 122.820 -0.009 0.000 2.076 293 A HA -0.201 4.704 4.320 0.974 0.000 0.220 293 A C 2.070 179.675 177.584 0.034 0.000 1.160 293 A CA 1.741 53.789 52.037 0.019 0.000 0.653 293 A CB -0.343 18.679 19.000 0.036 0.000 0.801 293 A HN 0.676 nan 8.150 nan 0.000 0.455 294 Q N -0.983 118.853 119.800 0.061 0.000 2.392 294 Q HA 0.237 5.162 4.340 0.974 0.000 0.219 294 Q C -0.057 175.985 176.000 0.070 0.000 0.895 294 Q CA -0.270 55.586 55.803 0.087 0.000 0.929 294 Q CB 0.137 28.973 28.738 0.164 0.000 1.077 294 Q HN 0.640 nan 8.270 nan 0.000 0.532 295 I N 2.053 122.646 120.570 0.038 0.000 2.668 295 I HA -0.092 4.662 4.170 0.974 0.000 0.285 295 I C 1.007 177.126 176.117 0.003 0.000 1.168 295 I CA 0.706 62.011 61.300 0.007 0.000 1.424 295 I CB 0.542 38.498 38.000 -0.074 0.000 1.377 295 I HN 0.203 nan 8.210 nan 0.000 0.560 296 R N 4.177 124.682 120.500 0.008 0.000 2.394 296 R HA 0.234 5.158 4.340 0.974 0.000 0.220 296 R C 0.179 176.478 176.300 -0.002 0.000 0.887 296 R CA -0.189 55.915 56.100 0.006 0.000 1.034 296 R CB 0.617 30.924 30.300 0.011 0.000 1.179 296 R HN 0.436 nan 8.270 nan 0.000 0.561 297 K N 1.094 121.488 120.400 -0.010 0.000 2.468 297 K HA 0.393 5.298 4.320 0.974 0.000 0.252 297 K C -1.932 174.652 176.600 -0.027 0.000 0.932 297 K CA -0.710 55.566 56.287 -0.019 0.000 0.794 297 K CB 1.689 34.172 32.500 -0.027 0.000 1.241 297 K HN -0.195 nan 8.250 nan 0.000 0.428 298 L N 3.025 124.233 121.223 -0.026 0.000 2.409 298 L HA 0.414 5.339 4.340 0.974 0.000 0.272 298 L C -1.562 175.292 176.870 -0.026 0.000 0.980 298 L CA -0.253 54.567 54.840 -0.034 0.000 0.826 298 L CB 1.910 43.948 42.059 -0.036 0.000 1.268 298 L HN 0.665 nan 8.230 nan 0.000 0.407 299 D N 4.421 124.806 120.400 -0.025 0.000 2.483 299 D HA 0.285 5.510 4.640 0.974 0.000 0.281 299 D C 0.072 176.362 176.300 -0.017 0.000 1.174 299 D CA -0.098 53.896 54.000 -0.011 0.000 0.938 299 D CB 0.306 41.119 40.800 0.022 0.000 1.002 299 D HN 0.506 nan 8.370 nan 0.000 0.501 300 L N 2.589 123.788 121.223 -0.040 0.000 2.737 300 L HA 0.113 5.038 4.340 0.974 0.000 0.236 300 L C 1.841 178.657 176.870 -0.090 0.000 1.219 300 L CA -0.332 54.475 54.840 -0.055 0.000 1.021 300 L CB 0.119 42.144 42.059 -0.058 0.000 1.291 300 L HN 0.265 nan 8.230 nan 0.000 0.470 301 L N -0.059 121.042 121.223 -0.203 0.000 2.056 301 L HA -0.138 4.786 4.340 0.974 0.000 0.207 301 L C 1.282 177.796 176.870 -0.593 0.000 1.078 301 L CA 2.099 56.655 54.840 -0.473 0.000 0.749 301 L CB -0.474 41.112 42.059 -0.788 0.000 0.901 301 L HN 0.372 nan 8.230 nan 0.000 0.433 302 Y N -0.951 119.305 120.300 -0.072 0.000 2.720 302 Y HA 0.500 5.634 4.550 0.973 0.000 0.277 302 Y C 0.721 176.510 175.900 -0.185 0.000 1.144 302 Y CA -0.394 57.600 58.100 -0.176 0.000 1.221 302 Y CB -0.127 38.146 38.460 -0.311 0.000 1.163 302 Y HN 0.057 nan 8.280 nan 0.000 0.537 303 A N 0.376 123.185 122.820 -0.018 0.000 2.295 303 A HA 0.559 5.463 4.320 0.974 0.000 0.318 303 A C -0.124 177.487 177.584 0.046 0.000 1.134 303 A CA -0.386 51.650 52.037 -0.001 0.000 0.827 303 A CB 0.692 19.665 19.000 -0.046 0.000 1.136 303 A HN 0.297 nan 8.150 nan 0.000 0.493 304 L N 2.397 123.663 121.223 0.071 0.000 2.978 304 L HA 0.264 5.188 4.340 0.974 0.000 0.239 304 L C 0.063 176.972 176.870 0.065 0.000 1.293 304 L CA 0.556 55.453 54.840 0.096 0.000 1.085 304 L CB -1.040 41.100 42.059 0.135 0.000 1.432 304 L HN 0.664 nan 8.230 nan 0.000 0.512 305 L N -2.648 118.599 121.223 0.040 0.000 2.330 305 L HA 0.715 5.639 4.340 0.974 0.000 0.271 305 L C -0.212 176.740 176.870 0.136 0.000 1.013 305 L CA -0.691 54.169 54.840 0.033 0.000 0.816 305 L CB 1.885 43.907 42.059 -0.062 0.000 1.287 305 L HN 0.085 nan 8.230 nan 0.000 0.435 306 E N 0.057 120.344 120.200 0.144 0.000 2.284 306 E HA 0.174 5.109 4.350 0.974 0.000 0.255 306 E C 0.332 177.074 176.600 0.236 0.000 1.052 306 E CA -0.539 55.960 56.400 0.166 0.000 0.904 306 E CB 1.364 31.119 29.700 0.092 0.000 1.217 306 E HN 0.734 nan 8.360 nan 0.000 0.438 307 T N -0.335 114.292 114.554 0.121 0.000 2.699 307 T HA -0.252 4.683 4.350 0.974 0.000 0.268 307 T C 1.648 176.416 174.700 0.113 0.000 1.036 307 T CA 2.158 64.297 62.100 0.065 0.000 1.147 307 T CB -0.115 68.751 68.868 -0.003 0.000 0.862 307 T HN 0.541 nan 8.240 nan 0.000 0.446 308 E N -0.115 120.141 120.200 0.093 0.000 2.047 308 E HA -0.158 4.777 4.350 0.974 0.000 0.191 308 E C 1.891 178.547 176.600 0.093 0.000 0.987 308 E CA 1.500 57.946 56.400 0.077 0.000 0.799 308 E CB -0.133 29.600 29.700 0.055 0.000 0.752 308 E HN 0.559 nan 8.360 nan 0.000 0.449 309 D N -0.097 120.363 120.400 0.100 0.000 2.182 309 D HA -0.184 5.040 4.640 0.974 0.000 0.201 309 D C 1.837 178.170 176.300 0.055 0.000 0.986 309 D CA 0.916 54.958 54.000 0.069 0.000 0.847 309 D CB -0.348 40.476 40.800 0.041 0.000 0.942 309 D HN 0.419 nan 8.370 nan 0.000 0.467 310 H N 0.192 119.274 119.070 0.020 0.000 2.293 310 H HA -0.094 5.046 4.556 0.974 0.000 0.300 310 H C 2.476 177.812 175.328 0.014 0.000 1.082 310 H CA 1.297 57.354 56.048 0.014 0.000 1.308 310 H CB -0.218 29.551 29.762 0.012 0.000 1.375 310 H HN 0.237 nan 8.280 nan 0.000 0.495 311 C N 0.300 119.691 119.300 0.153 0.000 2.413 311 C HA -0.153 4.891 4.460 0.974 0.000 0.277 311 C C 3.133 178.135 174.990 0.019 0.000 1.265 311 C CA 1.624 60.689 59.018 0.079 0.000 1.752 311 C CB -1.211 26.569 27.740 0.066 0.000 1.998 311 C HN 0.738 nan 8.230 nan 0.000 0.489 312 T N -0.801 113.768 114.554 0.025 0.000 2.915 312 T HA -0.088 4.847 4.350 0.974 0.000 0.269 312 T C 1.689 176.397 174.700 0.013 0.000 1.071 312 T CA 1.216 63.310 62.100 -0.010 0.000 1.132 312 T CB -0.343 68.535 68.868 0.016 0.000 0.878 312 T HN 0.576 nan 8.240 nan 0.000 0.479 313 L N 0.025 121.283 121.223 0.058 0.000 2.071 313 L HA 0.122 5.047 4.340 0.974 0.000 0.201 313 L C 2.619 179.489 176.870 0.001 0.000 1.076 313 L CA 0.889 55.775 54.840 0.077 0.000 0.755 313 L CB -0.269 41.787 42.059 -0.004 0.000 0.915 313 L HN 0.183 nan 8.230 nan 0.000 0.445 314 I N 0.051 120.620 120.570 -0.002 0.000 2.185 314 I HA -0.371 4.383 4.170 0.974 0.000 0.246 314 I C 2.479 178.561 176.117 -0.059 0.000 1.088 314 I CA 1.480 62.782 61.300 0.003 0.000 1.347 314 I CB -1.371 36.663 38.000 0.057 0.000 1.041 314 I HN 0.548 nan 8.210 nan 0.000 0.415 315 Q N 1.516 121.216 119.800 -0.167 0.000 2.368 315 Q HA -0.190 4.735 4.340 0.974 0.000 0.210 315 Q C 1.577 177.325 176.000 -0.421 0.000 0.982 315 Q CA 1.259 56.751 55.803 -0.518 0.000 0.884 315 Q CB 0.107 28.510 28.738 -0.559 0.000 0.933 315 Q HN 0.568 nan 8.270 nan 0.000 0.460 316 K N -1.190 119.097 120.400 -0.189 0.000 2.374 316 K HA 0.132 5.037 4.320 0.974 0.000 0.196 316 K C 0.150 176.714 176.600 -0.060 0.000 1.023 316 K CA -0.040 56.176 56.287 -0.119 0.000 1.103 316 K CB 0.756 33.233 32.500 -0.039 0.000 0.848 316 K HN 0.071 nan 8.250 nan 0.000 0.528 317 C N 2.732 122.007 119.300 -0.043 0.000 3.003 317 C HA 0.233 5.278 4.460 0.974 0.000 0.241 317 C C -1.316 173.688 174.990 0.024 0.000 1.224 317 C CA -1.358 57.651 59.018 -0.015 0.000 1.560 317 C CB 0.461 28.186 27.740 -0.025 0.000 1.768 317 C HN 0.223 nan 8.230 nan 0.000 0.440 318 P HA -0.085 nan 4.420 nan 0.000 0.223 318 P C 0.721 178.053 177.300 0.053 0.000 1.151 318 P CA 1.423 64.567 63.100 0.074 0.000 0.787 318 P CB 0.299 32.043 31.700 0.075 0.000 0.788 319 N N -0.511 118.210 118.700 0.036 0.000 2.236 319 N HA 0.062 5.387 4.740 0.974 0.000 0.196 319 N C 0.491 176.016 175.510 0.026 0.000 1.114 319 N CA -0.327 52.741 53.050 0.030 0.000 0.859 319 N CB 0.069 38.572 38.487 0.027 0.000 0.982 319 N HN 0.129 nan 8.380 nan 0.000 0.493 320 L N 2.734 123.972 121.223 0.025 0.000 2.628 320 L HA -0.077 4.847 4.340 0.974 0.000 0.274 320 L C 1.348 178.236 176.870 0.028 0.000 1.209 320 L CA 0.812 55.665 54.840 0.022 0.000 0.930 320 L CB 0.400 42.474 42.059 0.025 0.000 1.183 320 L HN 0.235 nan 8.230 nan 0.000 0.492 321 E N 3.276 123.490 120.200 0.023 0.000 2.453 321 E HA 0.182 5.117 4.350 0.974 0.000 0.211 321 E C -0.380 176.237 176.600 0.028 0.000 0.897 321 E CA -0.133 56.284 56.400 0.028 0.000 1.063 321 E CB 0.404 30.118 29.700 0.024 0.000 1.080 321 E HN 0.354 nan 8.360 nan 0.000 0.512 322 V N 2.322 122.245 119.914 0.016 0.000 2.531 322 V HA 0.417 5.121 4.120 0.974 0.000 0.301 322 V C -1.192 174.909 176.094 0.012 0.000 1.034 322 V CA -0.975 61.331 62.300 0.011 0.000 0.865 322 V CB 1.875 33.688 31.823 -0.016 0.000 0.995 322 V HN 0.207 nan 8.190 nan 0.000 0.424 323 L N 4.254 125.494 121.223 0.029 0.000 2.410 323 L HA 0.717 5.641 4.340 0.974 0.000 0.270 323 L C -0.656 176.236 176.870 0.036 0.000 0.983 323 L CA 0.053 54.911 54.840 0.030 0.000 0.822 323 L CB 2.149 44.236 42.059 0.047 0.000 1.285 323 L HN 0.718 nan 8.230 nan 0.000 0.409 324 E N 3.068 123.279 120.200 0.018 0.000 2.199 324 E HA 0.629 5.563 4.350 0.974 0.000 0.265 324 E C -1.169 175.432 176.600 0.001 0.000 0.882 324 E CA -0.532 55.875 56.400 0.012 0.000 0.759 324 E CB 2.212 31.904 29.700 -0.013 0.000 1.148 324 E HN 0.702 nan 8.360 nan 0.000 0.412 325 T N 1.296 115.857 114.554 0.011 0.000 2.731 325 T HA 0.428 5.363 4.350 0.974 0.000 0.300 325 T C -1.083 173.608 174.700 -0.016 0.000 1.283 325 T CA -0.670 61.443 62.100 0.021 0.000 1.005 325 T CB 1.174 70.117 68.868 0.124 0.000 1.420 325 T HN 0.334 nan 8.240 nan 0.000 0.503 326 R N 0.967 121.456 120.500 -0.019 0.000 2.608 326 R HA 0.381 5.305 4.340 0.974 0.000 0.255 326 R C 1.616 177.876 176.300 -0.066 0.000 1.086 326 R CA -0.336 55.733 56.100 -0.052 0.000 1.125 326 R CB 0.329 30.596 30.300 -0.055 0.000 1.193 326 R HN 0.851 nan 8.270 nan 0.000 0.553 327 N N -0.302 118.360 118.700 -0.063 0.000 2.519 327 N HA -0.121 5.203 4.740 0.974 0.000 0.186 327 N C 1.109 176.560 175.510 -0.099 0.000 1.062 327 N CA 0.325 53.340 53.050 -0.059 0.000 0.910 327 N CB -0.088 38.383 38.487 -0.028 0.000 0.958 327 N HN 0.137 nan 8.380 nan 0.000 0.445 328 V N 1.474 121.315 119.914 -0.121 0.000 2.453 328 V HA -0.244 4.461 4.120 0.974 0.000 0.252 328 V C 2.375 178.275 176.094 -0.322 0.000 1.068 328 V CA 1.247 63.456 62.300 -0.152 0.000 1.070 328 V CB -0.689 31.084 31.823 -0.083 0.000 0.664 328 V HN 0.351 nan 8.190 nan 0.000 0.461 329 I N 0.749 121.008 120.570 -0.518 0.000 2.290 329 I HA -0.120 4.635 4.170 0.974 0.000 0.253 329 I C 1.300 177.268 176.117 -0.249 0.000 1.112 329 I CA 1.463 62.405 61.300 -0.596 0.000 1.377 329 I CB -0.826 36.985 38.000 -0.315 0.000 1.060 329 I HN 0.500 nan 8.210 nan 0.000 0.428 330 G N -0.253 108.458 108.800 -0.148 0.000 2.880 330 G HA2 -0.288 4.257 3.960 0.974 0.000 0.617 330 G HA3 -0.288 4.257 3.960 0.974 0.000 0.617 330 G C 0.410 175.290 174.900 -0.034 0.000 1.493 330 G CA -0.002 45.056 45.100 -0.069 0.000 0.916 330 G HN 0.327 nan 8.290 nan 0.000 0.553 331 D N 0.051 120.444 120.400 -0.011 0.000 2.123 331 D HA -0.124 5.100 4.640 0.974 0.000 0.196 331 D C 2.385 178.691 176.300 0.010 0.000 0.992 331 D CA 1.523 55.526 54.000 0.005 0.000 0.833 331 D CB -0.029 40.777 40.800 0.010 0.000 0.954 331 D HN 0.546 nan 8.370 nan 0.000 0.455 332 R N 0.549 121.055 120.500 0.009 0.000 2.080 332 R HA -0.132 4.792 4.340 0.974 0.000 0.236 332 R C 2.401 178.720 176.300 0.032 0.000 1.137 332 R CA 1.942 58.055 56.100 0.022 0.000 0.943 332 R CB -0.625 29.688 30.300 0.022 0.000 0.846 332 R HN 0.167 nan 8.270 nan 0.000 0.431 333 G N 0.826 109.636 108.800 0.016 0.000 2.446 333 G HA2 -0.273 4.271 3.960 0.974 0.000 0.217 333 G HA3 -0.273 4.271 3.960 0.974 0.000 0.217 333 G C 1.448 176.374 174.900 0.044 0.000 1.168 333 G CA 1.014 46.132 45.100 0.030 0.000 0.771 333 G HN 0.279 nan 8.290 nan 0.000 0.551 334 L N -0.075 121.164 121.223 0.026 0.000 2.042 334 L HA -0.090 4.835 4.340 0.974 0.000 0.210 334 L C 2.883 179.781 176.870 0.045 0.000 1.076 334 L CA 1.445 56.306 54.840 0.037 0.000 0.749 334 L CB -0.353 41.723 42.059 0.028 0.000 0.893 334 L HN 0.278 nan 8.230 nan 0.000 0.432 335 E N -0.647 119.578 120.200 0.041 0.000 2.077 335 E HA -0.199 4.736 4.350 0.974 0.000 0.193 335 E C 2.219 178.858 176.600 0.064 0.000 0.989 335 E CA 1.413 57.836 56.400 0.038 0.000 0.800 335 E CB 0.003 29.721 29.700 0.032 0.000 0.746 335 E HN 0.261 nan 8.360 nan 0.000 0.452 336 V N 1.102 121.081 119.914 0.107 0.000 2.255 336 V HA -0.268 4.437 4.120 0.974 0.000 0.247 336 V C 2.309 178.548 176.094 0.241 0.000 1.051 336 V CA 1.520 63.946 62.300 0.210 0.000 1.018 336 V CB -0.499 31.429 31.823 0.175 0.000 0.641 336 V HN 0.268 nan 8.190 nan 0.000 0.445 337 L N 0.879 122.191 121.223 0.149 0.000 2.081 337 L HA -0.195 4.730 4.340 0.974 0.000 0.212 337 L C 2.489 179.412 176.870 0.088 0.000 1.080 337 L CA 2.324 57.239 54.840 0.125 0.000 0.754 337 L CB -0.933 41.178 42.059 0.087 0.000 0.893 337 L HN 0.265 nan 8.230 nan 0.000 0.433 338 A N -0.964 121.885 122.820 0.048 0.000 1.940 338 A HA -0.251 4.653 4.320 0.974 0.000 0.219 338 A C 2.154 179.704 177.584 -0.057 0.000 1.176 338 A CA 2.051 54.084 52.037 -0.006 0.000 0.631 338 A CB -0.521 18.467 19.000 -0.020 0.000 0.814 338 A HN 0.717 nan 8.150 nan 0.000 0.446 339 Q N -2.669 117.058 119.800 -0.121 0.000 2.246 339 Q HA 0.100 5.024 4.340 0.974 0.000 0.222 339 Q C 1.095 176.898 176.000 -0.329 0.000 0.851 339 Q CA 0.249 55.906 55.803 -0.244 0.000 0.945 339 Q CB -0.135 28.405 28.738 -0.329 0.000 1.122 339 Q HN 0.683 nan 8.270 nan 0.000 0.508 340 Y N 0.426 120.726 120.300 -0.001 0.000 2.397 340 Y HA 0.147 5.281 4.550 0.974 0.000 0.292 340 Y C 1.070 176.972 175.900 0.003 0.000 1.115 340 Y CA 0.229 58.329 58.100 0.000 0.000 1.208 340 Y CB 0.756 39.217 38.460 0.002 0.000 1.046 340 Y HN 0.131 nan 8.280 nan 0.000 0.552 341 C N 2.199 121.582 119.300 0.139 0.000 2.248 341 C HA 0.308 5.352 4.460 0.974 0.000 0.320 341 C C 1.169 176.188 174.990 0.049 0.000 1.065 341 C CA -1.305 57.766 59.018 0.088 0.000 1.558 341 C CB -0.160 27.632 27.740 0.086 0.000 1.787 341 C HN 0.306 nan 8.230 nan 0.000 0.426 342 K N 1.008 121.427 120.400 0.032 0.000 2.305 342 K HA -0.014 4.891 4.320 0.974 0.000 0.199 342 K C 1.532 178.147 176.600 0.025 0.000 1.047 342 K CA 0.896 57.192 56.287 0.015 0.000 0.976 342 K CB 0.186 32.686 32.500 -0.000 0.000 0.765 342 K HN 0.661 nan 8.250 nan 0.000 0.474 343 Q N 0.678 120.497 119.800 0.032 0.000 2.365 343 Q HA 0.061 4.985 4.340 0.974 0.000 0.203 343 Q C 0.547 176.571 176.000 0.040 0.000 0.929 343 Q CA -0.195 55.628 55.803 0.033 0.000 0.948 343 Q CB -0.600 28.156 28.738 0.030 0.000 1.043 343 Q HN 0.096 nan 8.270 nan 0.000 0.505 344 L N 2.229 123.479 121.223 0.045 0.000 2.601 344 L HA -0.104 4.820 4.340 0.974 0.000 0.277 344 L C 1.017 177.925 176.870 0.063 0.000 1.219 344 L CA 0.861 55.734 54.840 0.054 0.000 0.915 344 L CB 0.527 42.622 42.059 0.061 0.000 1.160 344 L HN -0.065 nan 8.230 nan 0.000 0.494 345 K N 4.457 124.897 120.400 0.066 0.000 2.387 345 K HA 0.255 5.160 4.320 0.974 0.000 0.197 345 K C -0.049 176.621 176.600 0.117 0.000 1.127 345 K CA 0.359 56.694 56.287 0.081 0.000 0.950 345 K CB 0.622 33.158 32.500 0.060 0.000 1.017 345 K HN 0.550 nan 8.250 nan 0.000 0.519 346 R N 0.872 121.436 120.500 0.108 0.000 2.575 346 R HA 0.471 5.396 4.340 0.974 0.000 0.293 346 R C -1.349 175.049 176.300 0.164 0.000 0.983 346 R CA -0.751 55.449 56.100 0.166 0.000 0.887 346 R CB 1.937 32.262 30.300 0.041 0.000 1.184 346 R HN -0.109 nan 8.270 nan 0.000 0.445 347 L N 1.890 123.265 121.223 0.253 0.000 2.438 347 L HA 0.561 5.485 4.340 0.974 0.000 0.270 347 L C -1.262 175.741 176.870 0.223 0.000 0.972 347 L CA -0.448 54.499 54.840 0.178 0.000 0.831 347 L CB 1.896 44.030 42.059 0.125 0.000 1.273 347 L HN 0.669 nan 8.230 nan 0.000 0.405 348 R N 5.778 126.380 120.500 0.170 0.000 2.513 348 R HA 0.671 5.595 4.340 0.974 0.000 0.301 348 R C -1.529 174.830 176.300 0.099 0.000 0.968 348 R CA -0.611 55.592 56.100 0.171 0.000 0.872 348 R CB 1.306 31.725 30.300 0.198 0.000 1.177 348 R HN 0.740 nan 8.270 nan 0.000 0.444 349 I N 4.122 124.749 120.570 0.094 0.000 2.697 349 I HA 0.242 4.997 4.170 0.974 0.000 0.279 349 I C 0.204 176.403 176.117 0.138 0.000 1.171 349 I CA -0.627 60.720 61.300 0.078 0.000 1.135 349 I CB 0.823 38.859 38.000 0.060 0.000 1.445 349 I HN 0.577 nan 8.210 nan 0.000 0.541 350 E N 3.982 124.232 120.200 0.084 0.000 2.428 350 E HA 0.081 5.016 4.350 0.974 0.000 0.257 350 E C 0.328 176.841 176.600 -0.146 0.000 1.197 350 E CA -0.169 56.254 56.400 0.038 0.000 0.974 350 E CB 1.126 30.799 29.700 -0.044 0.000 0.976 350 E HN 0.510 nan 8.360 nan 0.000 0.463 351 R N -0.247 119.945 120.500 -0.512 0.000 2.265 351 R HA 0.525 5.449 4.340 0.974 0.000 0.319 351 R C 0.420 176.564 176.300 -0.260 0.000 1.006 351 R CA -0.410 55.412 56.100 -0.463 0.000 0.880 351 R CB 0.971 30.781 30.300 -0.817 0.000 1.077 351 R HN 0.399 nan 8.270 nan 0.000 0.454 352 G N 1.641 110.351 108.800 -0.149 0.000 2.494 352 G HA2 0.395 4.939 3.960 0.974 0.000 0.270 352 G HA3 0.395 4.939 3.960 0.974 0.000 0.270 352 G C -0.589 174.270 174.900 -0.069 0.000 1.423 352 G CA -0.682 44.365 45.100 -0.088 0.000 1.055 352 G HN 0.851 nan 8.290 nan 0.000 0.536 353 A N 0.090 122.890 122.820 -0.033 0.000 2.541 353 A HA 0.293 5.198 4.320 0.974 0.000 0.293 353 A C 0.379 177.950 177.584 -0.021 0.000 1.307 353 A CA -0.118 51.908 52.037 -0.019 0.000 0.978 353 A CB -0.271 18.729 19.000 0.001 0.000 1.111 353 A HN 0.476 nan 8.150 nan 0.000 0.535 354 D N 2.533 122.916 120.400 -0.028 0.000 2.870 354 D HA 0.066 5.290 4.640 0.974 0.000 0.241 354 D C 0.780 177.075 176.300 -0.010 0.000 1.234 354 D CA 0.396 54.383 54.000 -0.022 0.000 0.844 354 D CB 0.488 41.271 40.800 -0.029 0.000 1.051 354 D HN 0.774 nan 8.370 nan 0.000 0.469 355 E N -0.237 119.959 120.200 -0.005 0.000 2.184 355 E HA 0.056 4.990 4.350 0.974 0.000 0.194 355 E C 0.198 176.799 176.600 0.002 0.000 0.978 355 E CA -0.283 56.117 56.400 0.000 0.000 0.998 355 E CB 0.202 29.904 29.700 0.003 0.000 1.240 355 E HN -0.023 nan 8.360 nan 0.000 0.492 356 Q N 1.797 121.600 119.800 0.004 0.000 2.534 356 Q HA 0.287 5.211 4.340 0.974 0.000 0.223 356 Q C 0.417 176.420 176.000 0.005 0.000 1.239 356 Q CA 0.388 56.194 55.803 0.005 0.000 0.936 356 Q CB 0.251 28.994 28.738 0.008 0.000 1.457 356 Q HN 0.525 nan 8.270 nan 0.000 0.547 357 G N 2.251 111.053 108.800 0.003 0.000 2.740 357 G HA2 -0.284 4.261 3.960 0.974 0.000 0.250 357 G HA3 -0.284 4.261 3.960 0.974 0.000 0.250 357 G C 0.345 175.245 174.900 -0.000 0.000 1.358 357 G CA -0.386 44.716 45.100 0.002 0.000 0.897 357 G HN 0.425 nan 8.290 nan 0.000 0.567 358 M N -0.425 119.174 119.600 -0.002 0.000 1.682 358 M HA 0.180 5.244 4.480 0.974 0.000 0.110 358 M C 1.998 178.297 176.300 -0.001 0.000 1.049 358 M CA 0.977 56.274 55.300 -0.006 0.000 0.634 358 M CB -0.969 31.625 32.600 -0.009 0.000 0.771 358 M HN 0.746 nan 8.290 nan 0.000 0.342 359 E N -0.251 119.949 120.200 -0.001 0.000 2.447 359 E HA -0.035 4.899 4.350 0.974 0.000 0.195 359 E C -0.701 175.908 176.600 0.015 0.000 1.028 359 E CA 0.350 56.756 56.400 0.010 0.000 0.876 359 E CB 0.314 30.023 29.700 0.015 0.000 0.885 359 E HN 0.604 nan 8.360 nan 0.000 0.500 360 D N -1.330 119.075 120.400 0.009 0.000 2.921 360 D HA 0.022 5.247 4.640 0.974 0.000 0.329 360 D C 0.185 176.489 176.300 0.006 0.000 1.293 360 D CA -0.650 53.356 54.000 0.011 0.000 0.964 360 D CB 0.024 40.835 40.800 0.017 0.000 1.435 360 D HN -0.224 nan 8.370 nan 0.000 0.548 361 E N -0.850 119.355 120.200 0.008 0.000 2.479 361 E HA 0.083 5.017 4.350 0.974 0.000 0.193 361 E C 0.403 177.006 176.600 0.004 0.000 1.049 361 E CA 0.610 57.014 56.400 0.006 0.000 0.870 361 E CB 0.172 29.877 29.700 0.008 0.000 0.944 361 E HN 0.474 nan 8.360 nan 0.000 0.492 362 E N -1.166 119.035 120.200 0.002 0.000 2.481 362 E HA 0.138 5.072 4.350 0.974 0.000 0.198 362 E C 0.970 177.561 176.600 -0.015 0.000 1.027 362 E CA 0.271 56.670 56.400 -0.002 0.000 0.900 362 E CB 0.750 30.451 29.700 0.001 0.000 0.993 362 E HN 0.170 nan 8.360 nan 0.000 0.482 363 G N 1.569 110.359 108.800 -0.017 0.000 3.318 363 G HA2 0.175 4.720 3.960 0.974 0.000 0.230 363 G HA3 0.175 4.720 3.960 0.974 0.000 0.230 363 G C -0.094 174.791 174.900 -0.025 0.000 1.317 363 G CA 0.095 45.177 45.100 -0.031 0.000 1.197 363 G HN -0.067 nan 8.290 nan 0.000 0.514 364 L N 0.322 121.535 121.223 -0.017 0.000 2.346 364 L HA 0.544 5.468 4.340 0.974 0.000 0.276 364 L C 0.134 177.001 176.870 -0.006 0.000 1.006 364 L CA -1.148 53.687 54.840 -0.007 0.000 0.817 364 L CB 2.231 44.289 42.059 -0.000 0.000 1.272 364 L HN 0.013 nan 8.230 nan 0.000 0.421 365 V N -0.187 119.729 119.914 0.002 0.000 2.547 365 V HA 1.024 5.728 4.120 0.974 0.000 0.299 365 V C -0.032 176.073 176.094 0.019 0.000 1.040 365 V CA -0.312 61.994 62.300 0.010 0.000 0.913 365 V CB 1.425 33.256 31.823 0.014 0.000 0.992 365 V HN 0.907 nan 8.190 nan 0.000 0.449 366 S N 2.019 117.733 115.700 0.024 0.000 2.688 366 S HA 0.444 5.499 4.470 0.974 0.000 0.275 366 S C 0.525 175.148 174.600 0.038 0.000 1.175 366 S CA -0.337 57.879 58.200 0.028 0.000 0.818 366 S CB 1.645 64.859 63.200 0.022 0.000 1.157 366 S HN 0.691 nan 8.310 nan 0.000 0.482 367 Q N 0.895 120.719 119.800 0.041 0.000 2.142 367 Q HA -0.220 4.705 4.340 0.974 0.000 0.213 367 Q C 2.089 178.116 176.000 0.046 0.000 1.004 367 Q CA 2.559 58.391 55.803 0.049 0.000 0.883 367 Q CB -0.543 28.221 28.738 0.043 0.000 0.939 367 Q HN 0.722 nan 8.270 nan 0.000 0.413 368 R N -0.001 120.520 120.500 0.035 0.000 2.097 368 R HA -0.168 4.757 4.340 0.974 0.000 0.236 368 R C 2.359 178.679 176.300 0.033 0.000 1.135 368 R CA 1.897 58.015 56.100 0.031 0.000 0.934 368 R CB -0.896 29.418 30.300 0.024 0.000 0.846 368 R HN 0.417 nan 8.270 nan 0.000 0.431 369 G N 0.728 109.547 108.800 0.032 0.000 2.421 369 G HA2 -0.242 4.303 3.960 0.974 0.000 0.216 369 G HA3 -0.242 4.303 3.960 0.974 0.000 0.216 369 G C 1.502 176.429 174.900 0.045 0.000 1.171 369 G CA 0.919 46.039 45.100 0.033 0.000 0.775 369 G HN 0.261 nan 8.290 nan 0.000 0.543 370 L N -0.031 121.228 121.223 0.059 0.000 1.994 370 L HA -0.005 4.920 4.340 0.974 0.000 0.208 370 L C 2.715 179.634 176.870 0.081 0.000 1.071 370 L CA 1.064 55.954 54.840 0.083 0.000 0.745 370 L CB -0.331 41.791 42.059 0.104 0.000 0.892 370 L HN 0.252 nan 8.230 nan 0.000 0.431 371 I N -0.499 120.114 120.570 0.071 0.000 2.493 371 I HA -0.243 4.511 4.170 0.974 0.000 0.254 371 I C 2.530 178.674 176.117 0.045 0.000 1.160 371 I CA 1.101 62.446 61.300 0.074 0.000 1.445 371 I CB 0.007 38.050 38.000 0.071 0.000 1.086 371 I HN 0.194 nan 8.210 nan 0.000 0.433 372 A N 0.676 123.513 122.820 0.028 0.000 1.873 372 A HA -0.211 4.694 4.320 0.974 0.000 0.215 372 A C 2.189 179.767 177.584 -0.010 0.000 1.186 372 A CA 1.804 53.841 52.037 0.001 0.000 0.616 372 A CB -0.933 18.072 19.000 0.008 0.000 0.823 372 A HN 0.513 nan 8.150 nan 0.000 0.442 373 L N -0.134 121.100 121.223 0.020 0.000 2.017 373 L HA -0.031 4.894 4.340 0.974 0.000 0.208 373 L C 2.618 179.502 176.870 0.022 0.000 1.073 373 L CA 2.275 57.132 54.840 0.028 0.000 0.745 373 L CB -0.759 41.334 42.059 0.058 0.000 0.894 373 L HN 0.323 nan 8.230 nan 0.000 0.432 374 A N -1.144 121.705 122.820 0.049 0.000 2.024 374 A HA -0.258 4.646 4.320 0.974 0.000 0.220 374 A C 2.168 179.729 177.584 -0.038 0.000 1.164 374 A CA 2.030 54.114 52.037 0.079 0.000 0.643 374 A CB -0.516 18.576 19.000 0.152 0.000 0.806 374 A HN 0.736 nan 8.150 nan 0.000 0.451 375 Q N -1.394 118.301 119.800 -0.174 0.000 2.204 375 Q HA 0.037 4.962 4.340 0.974 0.000 0.198 375 Q C 2.224 178.037 176.000 -0.311 0.000 0.946 375 Q CA 0.796 56.309 55.803 -0.483 0.000 0.859 375 Q CB -0.154 28.336 28.738 -0.412 0.000 0.946 375 Q HN 0.641 nan 8.270 nan 0.000 0.474 376 G N 0.491 109.197 108.800 -0.155 0.000 2.417 376 G HA2 -0.122 4.423 3.960 0.974 0.000 0.212 376 G HA3 -0.122 4.423 3.960 0.974 0.000 0.212 376 G C 0.556 175.420 174.900 -0.060 0.000 1.187 376 G CA 0.266 45.303 45.100 -0.105 0.000 0.804 376 G HN 0.328 nan 8.290 nan 0.000 0.534 377 C N 1.845 121.133 119.300 -0.020 0.000 2.225 377 C HA 0.418 5.463 4.460 0.974 0.000 0.437 377 C C 1.404 176.414 174.990 0.033 0.000 1.039 377 C CA -0.681 58.347 59.018 0.016 0.000 1.406 377 C CB -0.757 27.008 27.740 0.041 0.000 1.548 377 C HN 0.510 nan 8.230 nan 0.000 0.515 378 Q N 0.134 119.948 119.800 0.023 0.000 2.451 378 Q HA -0.035 4.890 4.340 0.974 0.000 0.206 378 Q C 1.419 177.458 176.000 0.064 0.000 0.947 378 Q CA 0.730 56.565 55.803 0.053 0.000 0.937 378 Q CB 0.349 29.117 28.738 0.051 0.000 1.025 378 Q HN 0.759 nan 8.270 nan 0.000 0.511 379 E N 0.380 120.613 120.200 0.056 0.000 2.489 379 E HA 0.072 5.006 4.350 0.974 0.000 0.193 379 E C -0.149 176.497 176.600 0.076 0.000 1.057 379 E CA -0.218 56.218 56.400 0.060 0.000 0.866 379 E CB 0.323 30.052 29.700 0.048 0.000 0.916 379 E HN 0.306 nan 8.360 nan 0.000 0.500 380 L N 1.622 122.899 121.223 0.089 0.000 2.578 380 L HA -0.113 4.812 4.340 0.974 0.000 0.279 380 L C 1.163 178.111 176.870 0.130 0.000 1.227 380 L CA 0.906 55.815 54.840 0.115 0.000 0.900 380 L CB 0.323 42.459 42.059 0.129 0.000 1.144 380 L HN 0.173 nan 8.230 nan 0.000 0.496 381 E N 2.223 122.516 120.200 0.155 0.000 2.421 381 E HA 0.044 4.979 4.350 0.974 0.000 0.209 381 E C -0.897 175.850 176.600 0.244 0.000 0.871 381 E CA -0.012 56.490 56.400 0.170 0.000 1.064 381 E CB 0.920 30.704 29.700 0.141 0.000 1.075 381 E HN 0.484 nan 8.360 nan 0.000 0.513 382 Y N 1.220 121.582 120.300 0.103 0.000 2.386 382 Y HA 0.510 5.643 4.550 0.972 0.000 0.334 382 Y C -1.418 174.542 175.900 0.100 0.000 1.002 382 Y CA -0.884 57.279 58.100 0.106 0.000 1.068 382 Y CB 1.395 39.898 38.460 0.071 0.000 1.203 382 Y HN -0.195 nan 8.280 nan 0.000 0.443 383 M N 6.240 125.706 119.600 -0.223 0.000 2.124 383 M HA 0.778 5.842 4.480 0.974 0.000 0.280 383 M C -1.964 174.064 176.300 -0.453 0.000 0.954 383 M CA -0.502 54.709 55.300 -0.149 0.000 0.958 383 M CB 1.168 33.814 32.600 0.075 0.000 1.611 383 M HN 0.848 nan 8.290 nan 0.000 0.449 384 A N 4.639 127.257 122.820 -0.336 0.000 2.343 384 A HA 0.854 5.758 4.320 0.974 0.000 0.308 384 A C -1.557 175.926 177.584 -0.169 0.000 1.092 384 A CA -0.556 51.282 52.037 -0.333 0.000 0.751 384 A CB 1.579 20.448 19.000 -0.218 0.000 1.203 384 A HN 0.596 nan 8.150 nan 0.000 0.452 385 V N 2.580 122.340 119.914 -0.256 0.000 2.733 385 V HA 0.310 5.014 4.120 0.974 0.000 0.306 385 V C -1.640 174.342 176.094 -0.186 0.000 1.084 385 V CA -0.427 61.793 62.300 -0.132 0.000 0.905 385 V CB 1.927 33.680 31.823 -0.117 0.000 1.010 385 V HN 0.812 nan 8.190 nan 0.000 0.424 386 Y N 3.362 123.614 120.300 -0.081 0.000 2.454 386 Y HA 0.569 5.703 4.550 0.974 0.000 0.345 386 Y C 0.207 176.073 175.900 -0.056 0.000 0.970 386 Y CA -0.183 57.872 58.100 -0.075 0.000 1.204 386 Y CB 1.783 40.206 38.460 -0.062 0.000 1.122 386 Y HN 0.440 nan 8.280 nan 0.000 0.514 387 V N 2.822 122.764 119.914 0.047 0.000 2.713 387 V HA 0.312 5.017 4.120 0.974 0.000 0.307 387 V C 0.374 176.488 176.094 0.033 0.000 1.052 387 V CA -0.131 62.188 62.300 0.031 0.000 0.967 387 V CB 2.051 33.878 31.823 0.006 0.000 1.019 387 V HN 0.856 nan 8.190 nan 0.000 0.459 388 S N 3.086 118.801 115.700 0.025 0.000 2.535 388 S HA 0.268 5.322 4.470 0.974 0.000 0.214 388 S C -0.199 174.407 174.600 0.011 0.000 0.980 388 S CA -0.054 58.157 58.200 0.018 0.000 0.907 388 S CB -0.001 63.207 63.200 0.014 0.000 0.790 388 S HN 0.853 nan 8.310 nan 0.000 0.510 389 D N 0.344 120.751 120.400 0.012 0.000 2.711 389 D HA 0.410 5.634 4.640 0.974 0.000 0.204 389 D C -1.653 174.659 176.300 0.021 0.000 1.257 389 D CA -0.535 53.472 54.000 0.012 0.000 0.808 389 D CB 0.873 41.681 40.800 0.013 0.000 1.780 389 D HN 0.019 nan 8.370 nan 0.000 0.537 390 I N 0.109 120.692 120.570 0.022 0.000 3.108 390 I HA 0.840 5.595 4.170 0.974 0.000 0.312 390 I C -0.085 176.060 176.117 0.047 0.000 1.095 390 I CA -0.838 60.486 61.300 0.041 0.000 1.000 390 I CB 1.859 39.890 38.000 0.052 0.000 1.229 390 I HN 0.222 nan 8.210 nan 0.000 0.454 391 T N 0.153 114.743 114.554 0.060 0.000 2.912 391 T HA 0.358 5.292 4.350 0.974 0.000 0.299 391 T C 0.549 175.292 174.700 0.072 0.000 1.052 391 T CA -0.571 61.564 62.100 0.058 0.000 0.996 391 T CB 1.065 69.961 68.868 0.046 0.000 1.070 391 T HN 0.659 nan 8.240 nan 0.000 0.465 392 N N 1.844 120.586 118.700 0.070 0.000 2.184 392 N HA -0.166 5.158 4.740 0.974 0.000 0.190 392 N C 1.548 177.089 175.510 0.051 0.000 1.011 392 N CA 1.462 54.554 53.050 0.071 0.000 0.867 392 N CB 0.052 38.574 38.487 0.058 0.000 0.993 392 N HN 0.767 nan 8.380 nan 0.000 0.433 393 E N 0.876 121.102 120.200 0.043 0.000 2.058 393 E HA -0.168 4.767 4.350 0.974 0.000 0.194 393 E C 1.968 178.593 176.600 0.042 0.000 0.997 393 E CA 1.610 58.030 56.400 0.034 0.000 0.801 393 E CB 0.102 29.822 29.700 0.034 0.000 0.746 393 E HN 0.408 nan 8.360 nan 0.000 0.450 394 S N 0.979 116.715 115.700 0.060 0.000 2.368 394 S HA -0.148 4.907 4.470 0.974 0.000 0.225 394 S C 2.192 176.836 174.600 0.074 0.000 1.030 394 S CA 1.059 59.304 58.200 0.075 0.000 0.999 394 S CB -0.722 62.531 63.200 0.088 0.000 0.844 394 S HN 0.294 nan 8.310 nan 0.000 0.459 395 L N 1.335 122.603 121.223 0.075 0.000 2.079 395 L HA -0.114 4.811 4.340 0.974 0.000 0.210 395 L C 2.845 179.703 176.870 -0.019 0.000 1.081 395 L CA 1.681 56.547 54.840 0.042 0.000 0.752 395 L CB -0.842 41.265 42.059 0.080 0.000 0.896 395 L HN 0.405 nan 8.230 nan 0.000 0.433 396 E N 0.286 120.477 120.200 -0.015 0.000 2.110 396 E HA -0.161 4.774 4.350 0.974 0.000 0.193 396 E C 2.316 178.882 176.600 -0.057 0.000 0.988 396 E CA 1.575 57.942 56.400 -0.055 0.000 0.804 396 E CB -0.025 29.645 29.700 -0.049 0.000 0.745 396 E HN 0.548 nan 8.360 nan 0.000 0.458 397 S N 0.964 116.665 115.700 0.001 0.000 2.406 397 S HA -0.085 4.969 4.470 0.974 0.000 0.228 397 S C 2.042 176.693 174.600 0.085 0.000 1.020 397 S CA 0.413 58.647 58.200 0.057 0.000 0.965 397 S CB -0.177 63.117 63.200 0.156 0.000 0.798 397 S HN 0.116 nan 8.310 nan 0.000 0.488 398 I N 2.789 123.387 120.570 0.048 0.000 2.076 398 I HA -0.153 4.601 4.170 0.974 0.000 0.237 398 I C 2.850 178.950 176.117 -0.029 0.000 1.059 398 I CA 1.922 63.236 61.300 0.023 0.000 1.317 398 I CB -1.914 36.046 38.000 -0.066 0.000 1.037 398 I HN 0.469 nan 8.210 nan 0.000 0.398 399 G N -0.865 107.876 108.800 -0.097 0.000 2.527 399 G HA2 -0.224 4.321 3.960 0.974 0.000 0.219 399 G HA3 -0.224 4.321 3.960 0.974 0.000 0.219 399 G C 1.691 176.520 174.900 -0.119 0.000 1.117 399 G CA 1.320 46.346 45.100 -0.124 0.000 0.759 399 G HN 0.352 nan 8.290 nan 0.000 0.556 400 T N -1.584 112.889 114.554 -0.135 0.000 3.010 400 T HA 0.144 5.078 4.350 0.974 0.000 0.252 400 T C 1.804 176.342 174.700 -0.269 0.000 1.047 400 T CA 0.536 62.482 62.100 -0.257 0.000 1.140 400 T CB 0.017 68.653 68.868 -0.386 0.000 0.885 400 T HN 0.410 nan 8.240 nan 0.000 0.464 401 Y N 0.391 120.680 120.300 -0.019 0.000 2.464 401 Y HA 0.356 5.491 4.550 0.974 0.000 0.288 401 Y C 0.197 176.099 175.900 0.003 0.000 1.133 401 Y CA -0.401 57.696 58.100 -0.005 0.000 1.223 401 Y CB 0.545 39.006 38.460 0.002 0.000 1.187 401 Y HN 0.082 nan 8.280 nan 0.000 0.539 402 L N -0.388 120.930 121.223 0.157 0.000 2.297 402 L HA 0.515 5.439 4.340 0.974 0.000 0.277 402 L C 0.185 177.096 176.870 0.068 0.000 1.040 402 L CA -0.485 54.421 54.840 0.110 0.000 0.867 402 L CB 1.034 43.162 42.059 0.115 0.000 1.244 402 L HN -0.243 nan 8.230 nan 0.000 0.433 403 K N 1.796 122.230 120.400 0.057 0.000 2.137 403 K HA 0.041 4.945 4.320 0.974 0.000 0.202 403 K C 0.884 177.510 176.600 0.042 0.000 1.052 403 K CA 1.042 57.349 56.287 0.033 0.000 0.961 403 K CB 0.022 32.536 32.500 0.024 0.000 0.741 403 K HN 0.801 nan 8.250 nan 0.000 0.452 404 N N 0.722 119.456 118.700 0.057 0.000 2.389 404 N HA 0.029 5.353 4.740 0.974 0.000 0.237 404 N C -0.470 175.093 175.510 0.088 0.000 1.148 404 N CA -0.033 53.056 53.050 0.065 0.000 0.854 404 N CB -0.214 38.309 38.487 0.059 0.000 1.115 404 N HN 0.037 nan 8.380 nan 0.000 0.492 405 L N 0.287 121.568 121.223 0.096 0.000 2.534 405 L HA -0.014 4.911 4.340 0.974 0.000 0.271 405 L C 0.304 177.256 176.870 0.138 0.000 1.178 405 L CA -0.091 54.828 54.840 0.131 0.000 0.907 405 L CB 0.409 42.547 42.059 0.132 0.000 1.164 405 L HN 0.401 nan 8.230 nan 0.000 0.482 406 C N 2.230 121.629 119.300 0.164 0.000 2.820 406 C HA 0.212 5.257 4.460 0.974 0.000 0.323 406 C C 0.573 175.693 174.990 0.216 0.000 1.279 406 C CA -0.193 58.927 59.018 0.170 0.000 1.790 406 C CB -0.040 27.795 27.740 0.158 0.000 2.328 406 C HN 0.732 nan 8.230 nan 0.000 0.579 407 D N 0.031 120.564 120.400 0.222 0.000 2.620 407 D HA 0.384 5.608 4.640 0.974 0.000 0.252 407 D C -1.660 174.704 176.300 0.108 0.000 1.207 407 D CA -0.115 54.003 54.000 0.196 0.000 0.884 407 D CB 1.019 41.944 40.800 0.209 0.000 1.262 407 D HN 0.205 nan 8.370 nan 0.000 0.552 408 F N 4.244 124.240 119.950 0.076 0.000 2.507 408 F HA 0.529 5.640 4.527 0.973 0.000 0.328 408 F C -0.903 174.886 175.800 -0.019 0.000 1.136 408 F CA -0.600 57.423 58.000 0.038 0.000 0.930 408 F CB 0.999 40.115 39.000 0.193 0.000 1.166 408 F HN 0.162 nan 8.300 nan 0.000 0.436 409 R N 7.046 127.051 120.500 -0.825 0.000 2.575 409 R HA 0.655 5.580 4.340 0.974 0.000 0.293 409 R C -2.033 173.772 176.300 -0.825 0.000 0.983 409 R CA -1.115 54.602 56.100 -0.638 0.000 0.887 409 R CB 2.481 32.588 30.300 -0.322 0.000 1.184 409 R HN 0.549 nan 8.270 nan 0.000 0.445 410 L N 3.454 124.327 121.223 -0.583 0.000 2.410 410 L HA 0.596 5.520 4.340 0.974 0.000 0.270 410 L C -1.470 175.162 176.870 -0.396 0.000 0.983 410 L CA -0.790 53.782 54.840 -0.447 0.000 0.822 410 L CB 2.270 44.210 42.059 -0.198 0.000 1.285 410 L HN 0.449 nan 8.230 nan 0.000 0.409 411 V N 5.718 125.383 119.914 -0.413 0.000 2.623 411 V HA 0.396 5.100 4.120 0.974 0.000 0.304 411 V C -0.500 175.484 176.094 -0.183 0.000 1.054 411 V CA -0.749 61.346 62.300 -0.341 0.000 0.882 411 V CB 2.190 33.604 31.823 -0.681 0.000 1.002 411 V HN 0.653 nan 8.190 nan 0.000 0.424 412 L N 5.006 126.186 121.223 -0.071 0.000 2.287 412 L HA 0.688 5.612 4.340 0.974 0.000 0.287 412 L C -0.571 176.323 176.870 0.040 0.000 1.022 412 L CA -0.108 54.720 54.840 -0.020 0.000 0.814 412 L CB 0.968 42.996 42.059 -0.052 0.000 1.217 412 L HN 0.300 nan 8.230 nan 0.000 0.420 413 L N 3.262 124.520 121.223 0.059 0.000 2.461 413 L HA 0.147 5.071 4.340 0.974 0.000 0.272 413 L C 0.973 177.857 176.870 0.024 0.000 1.197 413 L CA 0.500 55.377 54.840 0.062 0.000 0.836 413 L CB 0.139 42.231 42.059 0.055 0.000 1.105 413 L HN 0.724 nan 8.230 nan 0.000 0.477 414 D N 1.016 121.427 120.400 0.018 0.000 2.349 414 D HA -0.039 5.185 4.640 0.974 0.000 0.224 414 D C 1.820 178.115 176.300 -0.009 0.000 1.029 414 D CA 0.160 54.154 54.000 -0.011 0.000 0.879 414 D CB 0.226 41.015 40.800 -0.019 0.000 0.906 414 D HN 0.353 nan 8.370 nan 0.000 0.528 415 R N 1.270 121.770 120.500 0.000 0.000 2.094 415 R HA -0.106 4.819 4.340 0.974 0.000 0.239 415 R C 0.452 176.749 176.300 -0.005 0.000 1.137 415 R CA 1.156 57.255 56.100 -0.002 0.000 0.943 415 R CB -0.170 30.131 30.300 0.001 0.000 0.850 415 R HN 0.004 nan 8.270 nan 0.000 0.433 416 E N 1.043 121.240 120.200 -0.005 0.000 2.373 416 E HA -0.037 4.898 4.350 0.974 0.000 0.267 416 E C 0.742 177.335 176.600 -0.013 0.000 1.032 416 E CA 0.056 56.452 56.400 -0.007 0.000 0.889 416 E CB 0.866 30.564 29.700 -0.004 0.000 0.984 416 E HN 0.297 nan 8.360 nan 0.000 0.425 417 E N 2.202 122.395 120.200 -0.012 0.000 2.045 417 E HA -0.010 4.925 4.350 0.974 0.000 0.190 417 E C 0.222 176.812 176.600 -0.016 0.000 0.968 417 E CA 0.883 57.274 56.400 -0.015 0.000 0.813 417 E CB 0.133 29.826 29.700 -0.011 0.000 0.780 417 E HN 0.353 nan 8.360 nan 0.000 0.455 418 R N 0.683 121.177 120.500 -0.010 0.000 2.407 418 R HA 0.508 5.433 4.340 0.974 0.000 0.303 418 R C -0.529 175.768 176.300 -0.005 0.000 0.981 418 R CA -0.601 55.494 56.100 -0.008 0.000 0.905 418 R CB 1.146 31.443 30.300 -0.004 0.000 1.099 418 R HN -0.090 nan 8.270 nan 0.000 0.459 419 I N 1.993 122.561 120.570 -0.005 0.000 2.378 419 I HA 0.147 4.901 4.170 0.974 0.000 0.291 419 I C 1.126 177.247 176.117 0.007 0.000 0.992 419 I CA 0.012 61.313 61.300 0.000 0.000 1.154 419 I CB 1.786 39.784 38.000 -0.003 0.000 1.315 419 I HN 0.704 nan 8.210 nan 0.000 0.448 420 T N 3.336 117.897 114.554 0.011 0.000 2.152 420 T HA -0.275 4.660 4.350 0.974 0.000 0.194 420 T C 0.315 175.025 174.700 0.017 0.000 1.715 420 T CA 2.082 64.191 62.100 0.015 0.000 1.135 420 T CB -0.461 68.418 68.868 0.019 0.000 0.856 420 T HN 0.816 nan 8.240 nan 0.000 0.393 421 D N 0.882 121.296 120.400 0.024 0.000 2.256 421 D HA 0.444 5.668 4.640 0.974 0.000 0.240 421 D C 0.466 176.786 176.300 0.033 0.000 1.062 421 D CA -0.713 53.304 54.000 0.027 0.000 0.832 421 D CB 0.920 41.739 40.800 0.031 0.000 1.135 421 D HN 0.067 nan 8.370 nan 0.000 0.484 422 L N 3.396 124.637 121.223 0.030 0.000 2.228 422 L HA 0.377 5.302 4.340 0.974 0.000 0.196 422 L C -1.771 175.131 176.870 0.053 0.000 1.162 422 L CA 0.190 55.049 54.840 0.033 0.000 0.801 422 L CB -1.340 40.729 42.059 0.017 0.000 0.983 422 L HN 0.443 nan 8.230 nan 0.000 0.471 423 P HA -0.035 nan 4.420 nan 0.000 0.256 423 P C 0.091 177.449 177.300 0.098 0.000 1.173 423 P CA 1.036 64.178 63.100 0.070 0.000 0.768 423 P CB 0.075 31.807 31.700 0.053 0.000 0.758 424 L N 2.307 123.615 121.223 0.142 0.000 2.653 424 L HA 0.049 4.973 4.340 0.974 0.000 0.231 424 L C 1.280 178.262 176.870 0.186 0.000 1.153 424 L CA 0.064 55.013 54.840 0.181 0.000 0.933 424 L CB -0.318 41.909 42.059 0.280 0.000 1.175 424 L HN 0.257 nan 8.230 nan 0.000 0.473 425 D N 0.841 121.343 120.400 0.170 0.000 2.170 425 D HA -0.237 4.988 4.640 0.974 0.000 0.193 425 D C 1.579 178.061 176.300 0.304 0.000 1.004 425 D CA 1.468 55.603 54.000 0.225 0.000 0.860 425 D CB -0.062 40.829 40.800 0.151 0.000 0.931 425 D HN 0.379 nan 8.370 nan 0.000 0.448 426 N N -0.071 118.737 118.700 0.180 0.000 2.395 426 N HA -0.009 5.316 4.740 0.974 0.000 0.175 426 N C 1.949 177.457 175.510 -0.004 0.000 1.029 426 N CA 0.835 53.929 53.050 0.074 0.000 0.897 426 N CB -0.038 38.480 38.487 0.052 0.000 0.991 426 N HN 0.223 nan 8.380 nan 0.000 0.441 427 G N 1.534 110.360 108.800 0.043 0.000 2.394 427 G HA2 -0.137 4.407 3.960 0.974 0.000 0.214 427 G HA3 -0.137 4.407 3.960 0.974 0.000 0.214 427 G C 1.705 176.598 174.900 -0.011 0.000 1.176 427 G CA 0.698 45.813 45.100 0.026 0.000 0.786 427 G HN 0.120 nan 8.290 nan 0.000 0.533 428 V N 1.179 121.108 119.914 0.025 0.000 2.282 428 V HA -0.256 4.449 4.120 0.974 0.000 0.249 428 V C 2.750 178.742 176.094 -0.171 0.000 1.057 428 V CA 2.296 64.538 62.300 -0.097 0.000 1.032 428 V CB -0.680 31.060 31.823 -0.138 0.000 0.645 428 V HN 0.380 nan 8.190 nan 0.000 0.447 429 R N 0.906 121.315 120.500 -0.153 0.000 2.094 429 R HA -0.208 4.717 4.340 0.974 0.000 0.239 429 R C 2.534 178.579 176.300 -0.424 0.000 1.137 429 R CA 2.390 58.270 56.100 -0.366 0.000 0.943 429 R CB -0.490 29.457 30.300 -0.588 0.000 0.850 429 R HN 0.697 nan 8.270 nan 0.000 0.433 430 S N 1.247 116.761 115.700 -0.309 0.000 2.423 430 S HA -0.143 4.912 4.470 0.974 0.000 0.231 430 S C 1.927 176.380 174.600 -0.245 0.000 1.014 430 S CA 0.945 58.978 58.200 -0.278 0.000 0.965 430 S CB -0.411 62.671 63.200 -0.197 0.000 0.785 430 S HN 0.331 nan 8.310 nan 0.000 0.495 431 L N 2.337 123.424 121.223 -0.227 0.000 1.988 431 L HA 0.151 5.076 4.340 0.974 0.000 0.207 431 L C 2.083 178.798 176.870 -0.259 0.000 1.071 431 L CA 1.545 56.244 54.840 -0.235 0.000 0.744 431 L CB -1.367 40.540 42.059 -0.253 0.000 0.893 431 L HN 0.317 nan 8.230 nan 0.000 0.433 432 L N -0.605 120.436 121.223 -0.302 0.000 2.189 432 L HA -0.247 4.677 4.340 0.974 0.000 0.214 432 L C 2.521 179.272 176.870 -0.198 0.000 1.097 432 L CA 1.386 56.057 54.840 -0.282 0.000 0.764 432 L CB -0.473 41.418 42.059 -0.280 0.000 0.900 432 L HN 0.358 nan 8.230 nan 0.000 0.436 433 I N -0.987 119.430 120.570 -0.256 0.000 2.584 433 I HA -0.064 4.691 4.170 0.974 0.000 0.255 433 I C 2.525 178.549 176.117 -0.154 0.000 1.145 433 I CA 0.977 62.141 61.300 -0.226 0.000 1.462 433 I CB -0.598 37.172 38.000 -0.384 0.000 1.102 433 I HN 0.199 nan 8.210 nan 0.000 0.433 434 G N 0.627 109.329 108.800 -0.162 0.000 2.396 434 G HA2 -0.111 4.433 3.960 0.974 0.000 0.214 434 G HA3 -0.111 4.433 3.960 0.974 0.000 0.214 434 G C 0.648 175.496 174.900 -0.086 0.000 1.166 434 G CA 0.128 45.154 45.100 -0.123 0.000 0.793 434 G HN 0.411 nan 8.290 nan 0.000 0.533 435 C N 2.226 121.470 119.300 -0.092 0.000 2.135 435 C HA 0.423 5.468 4.460 0.974 0.000 0.345 435 C C 1.275 176.241 174.990 -0.040 0.000 1.067 435 C CA -1.121 57.866 59.018 -0.051 0.000 1.517 435 C CB -0.441 27.269 27.740 -0.050 0.000 1.923 435 C HN 0.579 nan 8.230 nan 0.000 0.466 436 K N 0.901 121.289 120.400 -0.021 0.000 2.387 436 K HA 0.120 5.025 4.320 0.974 0.000 0.198 436 K C 0.945 177.551 176.600 0.011 0.000 1.022 436 K CA 0.132 56.412 56.287 -0.012 0.000 1.128 436 K CB 0.211 32.705 32.500 -0.011 0.000 0.853 436 K HN 0.525 nan 8.250 nan 0.000 0.523 437 K N 0.773 121.187 120.400 0.024 0.000 2.393 437 K HA 0.116 5.021 4.320 0.974 0.000 0.193 437 K C 0.037 176.678 176.600 0.068 0.000 1.026 437 K CA -0.330 55.984 56.287 0.046 0.000 1.064 437 K CB 0.146 32.678 32.500 0.052 0.000 0.833 437 K HN 0.022 nan 8.250 nan 0.000 0.521 438 L N 1.989 123.251 121.223 0.066 0.000 2.628 438 L HA -0.095 4.830 4.340 0.974 0.000 0.274 438 L C 1.070 178.016 176.870 0.125 0.000 1.209 438 L CA 0.929 55.833 54.840 0.107 0.000 0.930 438 L CB 0.189 42.289 42.059 0.070 0.000 1.183 438 L HN 0.050 nan 8.230 nan 0.000 0.492 439 R N 3.304 123.909 120.500 0.174 0.000 2.287 439 R HA 0.273 5.198 4.340 0.974 0.000 0.197 439 R C -0.202 176.267 176.300 0.281 0.000 0.900 439 R CA -0.036 56.177 56.100 0.189 0.000 1.052 439 R CB 0.512 30.909 30.300 0.162 0.000 1.117 439 R HN 0.532 nan 8.270 nan 0.000 0.568 440 R N 0.377 121.091 120.500 0.356 0.000 2.621 440 R HA 0.400 5.324 4.340 0.974 0.000 0.292 440 R C -1.526 175.093 176.300 0.532 0.000 0.969 440 R CA -0.670 55.764 56.100 0.557 0.000 0.887 440 R CB 2.171 32.862 30.300 0.651 0.000 1.180 440 R HN -0.129 nan 8.270 nan 0.000 0.450 441 F N 1.305 121.378 119.950 0.206 0.000 2.630 441 F HA 0.628 5.737 4.527 0.971 0.000 0.325 441 F C -1.733 173.999 175.800 -0.114 0.000 1.184 441 F CA -0.417 57.652 58.000 0.115 0.000 1.011 441 F CB 1.879 40.942 39.000 0.106 0.000 1.268 441 F HN 0.727 nan 8.300 nan 0.000 0.480 442 A N 5.319 127.763 122.820 -0.626 0.000 2.371 442 A HA 0.836 5.741 4.320 0.974 0.000 0.311 442 A C -2.273 175.002 177.584 -0.515 0.000 1.068 442 A CA -0.507 51.189 52.037 -0.568 0.000 0.744 442 A CB 1.067 19.909 19.000 -0.264 0.000 1.239 442 A HN 0.729 nan 8.150 nan 0.000 0.435 443 F N 2.046 121.689 119.950 -0.513 0.000 2.941 443 F HA 0.430 5.541 4.527 0.972 0.000 0.359 443 F C -1.581 174.166 175.800 -0.087 0.000 1.231 443 F CA -0.440 57.380 58.000 -0.299 0.000 1.089 443 F CB 1.297 40.148 39.000 -0.247 0.000 1.407 443 F HN 0.584 nan 8.300 nan 0.000 0.538 444 Y N 6.848 126.964 120.300 -0.306 0.000 2.345 444 Y HA 0.713 5.846 4.550 0.971 0.000 0.331 444 Y C -1.166 174.622 175.900 -0.186 0.000 0.959 444 Y CA -0.517 57.478 58.100 -0.175 0.000 1.204 444 Y CB 0.757 39.118 38.460 -0.165 0.000 1.135 444 Y HN 0.484 nan 8.280 nan 0.000 0.477 445 L N 3.917 125.084 121.223 -0.094 0.000 2.242 445 L HA 0.648 5.572 4.340 0.974 0.000 0.261 445 L C -0.224 176.617 176.870 -0.048 0.000 1.052 445 L CA -1.432 53.367 54.840 -0.068 0.000 0.972 445 L CB 1.291 43.290 42.059 -0.099 0.000 1.562 445 L HN 0.408 nan 8.230 nan 0.000 0.509 446 R N -0.556 119.870 120.500 -0.123 0.000 2.700 446 R HA 0.206 5.130 4.340 0.974 0.000 0.253 446 R C 0.708 176.893 176.300 -0.191 0.000 1.091 446 R CA -0.598 55.330 56.100 -0.286 0.000 1.104 446 R CB 1.130 31.310 30.300 -0.199 0.000 1.202 446 R HN 0.469 nan 8.270 nan 0.000 0.532 447 Q N 0.685 120.347 119.800 -0.230 0.000 2.002 447 Q HA -0.085 4.840 4.340 0.974 0.000 0.204 447 Q C 1.603 177.585 176.000 -0.030 0.000 0.988 447 Q CA 2.377 58.132 55.803 -0.080 0.000 0.843 447 Q CB -0.822 27.872 28.738 -0.074 0.000 0.908 447 Q HN 0.918 nan 8.270 nan 0.000 0.420 448 G N -0.438 108.339 108.800 -0.038 0.000 2.653 448 G HA2 -0.078 4.467 3.960 0.974 0.000 0.212 448 G HA3 -0.078 4.467 3.960 0.974 0.000 0.212 448 G C 1.289 176.196 174.900 0.012 0.000 1.138 448 G CA 0.698 45.792 45.100 -0.010 0.000 0.782 448 G HN 0.494 nan 8.290 nan 0.000 0.535 449 G N -0.250 108.558 108.800 0.013 0.000 2.442 449 G HA2 0.078 4.623 3.960 0.974 0.000 0.219 449 G HA3 0.078 4.623 3.960 0.974 0.000 0.219 449 G C 0.315 175.275 174.900 0.100 0.000 1.141 449 G CA 0.618 45.744 45.100 0.042 0.000 0.763 449 G HN 0.430 nan 8.290 nan 0.000 0.554 450 L N 0.237 121.519 121.223 0.098 0.000 2.493 450 L HA 0.483 5.408 4.340 0.974 0.000 0.265 450 L C 0.068 176.979 176.870 0.069 0.000 0.954 450 L CA -0.479 54.431 54.840 0.117 0.000 0.844 450 L CB 2.249 44.419 42.059 0.185 0.000 1.302 450 L HN 0.142 nan 8.230 nan 0.000 0.405 451 T N -1.208 113.371 114.554 0.041 0.000 2.918 451 T HA 0.309 5.243 4.350 0.974 0.000 0.283 451 T C 0.613 175.309 174.700 -0.007 0.000 1.001 451 T CA -0.486 61.622 62.100 0.015 0.000 1.041 451 T CB 0.978 69.843 68.868 -0.005 0.000 1.028 451 T HN 0.577 nan 8.240 nan 0.000 0.511 452 D N 0.422 120.823 120.400 0.003 0.000 2.203 452 D HA -0.123 5.101 4.640 0.974 0.000 0.199 452 D C 1.868 178.117 176.300 -0.085 0.000 0.997 452 D CA 0.673 54.670 54.000 -0.004 0.000 0.863 452 D CB -0.203 40.604 40.800 0.011 0.000 0.928 452 D HN 0.441 nan 8.370 nan 0.000 0.458 453 L N 0.504 121.637 121.223 -0.151 0.000 2.056 453 L HA -0.073 4.852 4.340 0.974 0.000 0.207 453 L C 2.132 178.617 176.870 -0.641 0.000 1.078 453 L CA 2.003 56.642 54.840 -0.335 0.000 0.749 453 L CB -0.943 40.943 42.059 -0.288 0.000 0.901 453 L HN 0.099 nan 8.230 nan 0.000 0.433 454 G N 0.064 108.621 108.800 -0.405 0.000 2.404 454 G HA2 -0.268 4.276 3.960 0.974 0.000 0.215 454 G HA3 -0.268 4.276 3.960 0.974 0.000 0.215 454 G C 1.677 176.539 174.900 -0.064 0.000 1.174 454 G CA 0.705 45.653 45.100 -0.253 0.000 0.780 454 G HN 0.382 nan 8.290 nan 0.000 0.537 455 L N 1.393 122.606 121.223 -0.017 0.000 2.013 455 L HA -0.198 4.727 4.340 0.974 0.000 0.212 455 L C 3.294 180.246 176.870 0.136 0.000 1.073 455 L CA 2.145 57.021 54.840 0.061 0.000 0.753 455 L CB -0.293 41.794 42.059 0.048 0.000 0.890 455 L HN 0.472 nan 8.230 nan 0.000 0.432 456 S N -1.661 114.070 115.700 0.052 0.000 2.423 456 S HA -0.224 4.831 4.470 0.974 0.000 0.231 456 S C 1.897 176.598 174.600 0.168 0.000 1.014 456 S CA 0.733 58.987 58.200 0.090 0.000 0.965 456 S CB -0.825 62.377 63.200 0.004 0.000 0.785 456 S HN 0.550 nan 8.310 nan 0.000 0.495 457 Y N 1.322 121.687 120.300 0.108 0.000 2.207 457 Y HA -0.096 5.038 4.550 0.973 0.000 0.287 457 Y C 2.417 178.418 175.900 0.168 0.000 1.156 457 Y CA 1.018 59.226 58.100 0.180 0.000 1.182 457 Y CB -0.331 38.222 38.460 0.155 0.000 0.979 457 Y HN 0.290 nan 8.280 nan 0.000 0.521 458 I N -0.417 120.317 120.570 0.274 0.000 2.142 458 I HA -0.279 4.476 4.170 0.974 0.000 0.240 458 I C 2.740 178.939 176.117 0.138 0.000 1.078 458 I CA 1.461 62.858 61.300 0.162 0.000 1.343 458 I CB -0.934 37.194 38.000 0.213 0.000 1.046 458 I HN 0.235 nan 8.210 nan 0.000 0.405 459 G N -0.300 108.603 108.800 0.172 0.000 2.476 459 G HA2 -0.324 4.221 3.960 0.974 0.000 0.218 459 G HA3 -0.324 4.221 3.960 0.974 0.000 0.218 459 G C 1.585 176.387 174.900 -0.164 0.000 1.164 459 G CA 0.719 45.726 45.100 -0.155 0.000 0.768 459 G HN 0.393 nan 8.290 nan 0.000 0.560 460 Q N -1.060 118.659 119.800 -0.136 0.000 2.119 460 Q HA -0.046 4.879 4.340 0.974 0.000 0.201 460 Q C 1.066 176.781 176.000 -0.476 0.000 0.972 460 Q CA 0.981 56.573 55.803 -0.352 0.000 0.847 460 Q CB -0.042 28.420 28.738 -0.460 0.000 0.903 460 Q HN 0.699 nan 8.270 nan 0.000 0.433 461 Y N -0.823 119.432 120.300 -0.076 0.000 2.681 461 Y HA 0.204 5.338 4.550 0.974 0.000 0.267 461 Y C -0.099 175.716 175.900 -0.141 0.000 1.166 461 Y CA -0.492 57.540 58.100 -0.114 0.000 1.209 461 Y CB 1.065 39.439 38.460 -0.143 0.000 1.161 461 Y HN -0.019 nan 8.280 nan 0.000 0.534 462 S N -0.722 114.951 115.700 -0.045 0.000 2.060 462 S HA 0.258 5.312 4.470 0.974 0.000 0.156 462 S C -2.201 172.369 174.600 -0.050 0.000 1.690 462 S CA -1.231 56.927 58.200 -0.071 0.000 1.238 462 S CB 0.765 63.896 63.200 -0.116 0.000 1.150 462 S HN 0.049 nan 8.310 nan 0.000 0.437 463 P HA -0.011 nan 4.420 nan 0.000 0.221 463 P C 0.411 177.710 177.300 -0.003 0.000 1.150 463 P CA 0.956 64.038 63.100 -0.029 0.000 0.800 463 P CB 0.121 31.807 31.700 -0.022 0.000 0.787 464 N N -0.794 117.914 118.700 0.012 0.000 2.282 464 N HA 0.053 5.377 4.740 0.974 0.000 0.185 464 N C 0.167 175.720 175.510 0.071 0.000 1.099 464 N CA 0.083 53.157 53.050 0.040 0.000 0.878 464 N CB 0.396 38.909 38.487 0.042 0.000 0.993 464 N HN -0.012 nan 8.380 nan 0.000 0.481 465 V N 2.040 121.996 119.914 0.071 0.000 2.485 465 V HA 0.033 4.738 4.120 0.974 0.000 0.287 465 V C 1.363 177.546 176.094 0.148 0.000 1.022 465 V CA 0.376 62.752 62.300 0.127 0.000 1.067 465 V CB 0.932 32.825 31.823 0.117 0.000 0.967 465 V HN 0.061 nan 8.190 nan 0.000 0.479 466 R N 2.956 123.577 120.500 0.202 0.000 2.206 466 R HA 0.145 5.069 4.340 0.974 0.000 0.198 466 R C -0.010 176.482 176.300 0.321 0.000 0.986 466 R CA 0.212 56.444 56.100 0.220 0.000 1.029 466 R CB 0.460 30.879 30.300 0.198 0.000 0.966 466 R HN 0.756 nan 8.270 nan 0.000 0.487 467 W N 0.602 121.992 121.300 0.150 0.000 2.839 467 W HA 0.561 5.797 4.660 0.959 0.000 0.334 467 W C -1.646 174.998 176.519 0.208 0.000 1.064 467 W CA -0.806 56.636 57.345 0.161 0.000 1.236 467 W CB 1.149 30.679 29.460 0.116 0.000 1.405 467 W HN -0.262 nan 8.180 nan 0.000 0.478 468 M N 6.916 126.114 119.600 -0.671 0.000 2.393 468 M HA 0.388 5.453 4.480 0.974 0.000 0.299 468 M C -1.570 174.172 176.300 -0.929 0.000 1.103 468 M CA -1.230 53.644 55.300 -0.710 0.000 0.910 468 M CB 2.028 34.591 32.600 -0.062 0.000 1.659 468 M HN 0.400 nan 8.290 nan 0.000 0.445 469 L N 5.288 125.968 121.223 -0.905 0.000 2.319 469 L HA 0.642 5.567 4.340 0.974 0.000 0.281 469 L C -1.899 174.858 176.870 -0.188 0.000 1.005 469 L CA -0.223 54.388 54.840 -0.381 0.000 0.828 469 L CB 0.983 42.924 42.059 -0.197 0.000 1.227 469 L HN 0.653 nan 8.230 nan 0.000 0.415 470 L N 5.578 126.745 121.223 -0.093 0.000 2.313 470 L HA 0.598 5.523 4.340 0.974 0.000 0.283 470 L C 1.057 177.834 176.870 -0.155 0.000 1.013 470 L CA -0.468 54.325 54.840 -0.078 0.000 0.816 470 L CB 1.633 43.630 42.059 -0.104 0.000 1.236 470 L HN 0.796 nan 8.230 nan 0.000 0.419 471 G N 1.535 110.199 108.800 -0.226 0.000 2.751 471 G HA2 -0.112 4.432 3.960 0.974 0.000 0.187 471 G HA3 -0.112 4.432 3.960 0.974 0.000 0.187 471 G C 0.003 174.525 174.900 -0.630 0.000 1.733 471 G CA 0.386 45.055 45.100 -0.718 0.000 0.898 471 G HN 0.540 nan 8.290 nan 0.000 0.408 472 Y N 0.841 120.864 120.300 -0.461 0.000 2.774 472 Y HA 0.362 5.498 4.550 0.978 0.000 0.305 472 Y C 1.061 176.844 175.900 -0.195 0.000 1.067 472 Y CA -0.991 56.915 58.100 -0.323 0.000 1.304 472 Y CB 0.113 38.407 38.460 -0.275 0.000 1.209 472 Y HN 0.247 nan 8.280 nan 0.000 0.543 473 V N -1.084 118.802 119.914 -0.047 0.000 3.237 473 V HA 0.799 5.503 4.120 0.974 0.000 0.305 473 V C 0.818 176.928 176.094 0.026 0.000 1.096 473 V CA -0.066 62.258 62.300 0.040 0.000 1.130 473 V CB 0.409 32.282 31.823 0.083 0.000 1.048 473 V HN 0.627 nan 8.190 nan 0.000 0.484 474 G N 2.706 111.561 108.800 0.092 0.000 2.829 474 G HA2 -0.155 4.390 3.960 0.974 0.000 0.628 474 G HA3 -0.155 4.390 3.960 0.974 0.000 0.628 474 G C -0.167 174.766 174.900 0.055 0.000 1.412 474 G CA 0.408 45.588 45.100 0.133 0.000 0.864 474 G HN 1.105 nan 8.290 nan 0.000 0.544 475 E N -0.638 119.611 120.200 0.082 0.000 2.441 475 E HA 0.332 5.267 4.350 0.974 0.000 0.212 475 E C 1.039 177.677 176.600 0.063 0.000 0.840 475 E CA 0.576 57.000 56.400 0.040 0.000 1.143 475 E CB 0.934 30.653 29.700 0.032 0.000 1.153 475 E HN 1.079 nan 8.360 nan 0.000 0.539 476 S N -0.066 115.720 115.700 0.144 0.000 2.671 476 S HA 0.188 5.243 4.470 0.974 0.000 0.277 476 S C -0.492 174.279 174.600 0.286 0.000 1.165 476 S CA -0.716 57.588 58.200 0.174 0.000 0.822 476 S CB 1.429 64.685 63.200 0.093 0.000 1.150 476 S HN -0.149 nan 8.310 nan 0.000 0.479 477 D N 0.981 121.526 120.400 0.242 0.000 2.265 477 D HA -0.062 5.163 4.640 0.974 0.000 0.208 477 D C 1.540 177.832 176.300 -0.014 0.000 0.977 477 D CA 1.110 55.180 54.000 0.117 0.000 0.871 477 D CB -0.111 40.739 40.800 0.084 0.000 0.925 477 D HN 0.575 nan 8.370 nan 0.000 0.485 478 E N 0.448 120.666 120.200 0.029 0.000 2.114 478 E HA -0.182 4.753 4.350 0.974 0.000 0.199 478 E C 2.310 178.900 176.600 -0.016 0.000 1.008 478 E CA 1.387 57.788 56.400 0.002 0.000 0.810 478 E CB -0.459 29.250 29.700 0.016 0.000 0.739 478 E HN 0.470 nan 8.360 nan 0.000 0.456 479 G N 1.365 110.172 108.800 0.012 0.000 2.404 479 G HA2 -0.234 4.310 3.960 0.974 0.000 0.215 479 G HA3 -0.234 4.310 3.960 0.974 0.000 0.215 479 G C 1.614 176.462 174.900 -0.087 0.000 1.174 479 G CA 0.680 45.783 45.100 0.006 0.000 0.780 479 G HN 0.206 nan 8.290 nan 0.000 0.537 480 L N 0.346 121.356 121.223 -0.355 0.000 2.046 480 L HA 0.065 4.990 4.340 0.974 0.000 0.208 480 L C 2.662 179.436 176.870 -0.159 0.000 1.077 480 L CA 1.954 56.472 54.840 -0.536 0.000 0.747 480 L CB -0.339 40.988 42.059 -1.219 0.000 0.896 480 L HN 0.267 nan 8.230 nan 0.000 0.432 481 M N -1.285 118.231 119.600 -0.139 0.000 2.132 481 M HA -0.173 4.892 4.480 0.974 0.000 0.263 481 M C 2.062 178.344 176.300 -0.029 0.000 1.065 481 M CA 1.628 56.887 55.300 -0.068 0.000 1.122 481 M CB -0.269 32.294 32.600 -0.062 0.000 1.365 481 M HN 0.270 nan 8.290 nan 0.000 0.411 482 E N 0.125 120.317 120.200 -0.014 0.000 2.085 482 E HA -0.225 4.709 4.350 0.974 0.000 0.194 482 E C 1.719 178.333 176.600 0.023 0.000 0.994 482 E CA 1.375 57.774 56.400 -0.003 0.000 0.801 482 E CB -0.774 28.925 29.700 -0.003 0.000 0.743 482 E HN 0.603 nan 8.360 nan 0.000 0.453 483 F N 2.100 121.994 119.950 -0.094 0.000 2.095 483 F HA -0.253 4.855 4.527 0.968 0.000 0.298 483 F C 2.523 178.276 175.800 -0.078 0.000 1.104 483 F CA 2.117 60.070 58.000 -0.078 0.000 1.232 483 F CB -0.525 38.422 39.000 -0.089 0.000 0.987 483 F HN 0.025 nan 8.300 nan 0.000 0.475 484 S N 1.194 116.836 115.700 -0.096 0.000 2.469 484 S HA -0.225 4.830 4.470 0.974 0.000 0.238 484 S C 1.854 176.330 174.600 -0.207 0.000 0.998 484 S CA 0.855 58.940 58.200 -0.192 0.000 0.957 484 S CB -0.956 62.210 63.200 -0.057 0.000 0.764 484 S HN 0.719 nan 8.310 nan 0.000 0.514 485 R N 0.621 121.019 120.500 -0.169 0.000 2.313 485 R HA 0.375 5.299 4.340 0.974 0.000 0.199 485 R C 1.187 177.381 176.300 -0.177 0.000 0.958 485 R CA 0.445 56.460 56.100 -0.142 0.000 1.047 485 R CB -0.365 29.876 30.300 -0.098 0.000 0.955 485 R HN 0.385 nan 8.270 nan 0.000 0.481 486 G N 0.224 108.866 108.800 -0.264 0.000 3.099 486 G HA2 0.282 4.827 3.960 0.974 0.000 0.151 486 G HA3 0.282 4.827 3.960 0.974 0.000 0.151 486 G C -0.583 174.138 174.900 -0.299 0.000 1.265 486 G CA -0.193 44.746 45.100 -0.268 0.000 0.981 486 G HN 0.310 nan 8.290 nan 0.000 0.601 487 C N 0.601 119.725 119.300 -0.294 0.000 3.690 487 C HA -0.090 4.955 4.460 0.974 0.000 0.295 487 C C -0.827 174.079 174.990 -0.139 0.000 1.283 487 C CA -0.313 58.561 59.018 -0.240 0.000 2.212 487 C CB -2.048 25.460 27.740 -0.386 0.000 1.407 487 C HN 0.546 nan 8.230 nan 0.000 0.595 488 P HA -0.121 nan 4.420 nan 0.000 0.215 488 P C 0.851 178.138 177.300 -0.022 0.000 1.153 488 P CA 1.762 64.826 63.100 -0.060 0.000 0.853 488 P CB 0.042 31.713 31.700 -0.049 0.000 0.788 489 N N -1.631 117.067 118.700 -0.003 0.000 2.204 489 N HA 0.134 5.458 4.740 0.974 0.000 0.219 489 N C -0.149 175.404 175.510 0.072 0.000 1.151 489 N CA -0.336 52.737 53.050 0.038 0.000 0.867 489 N CB 0.260 38.775 38.487 0.045 0.000 1.043 489 N HN 0.045 nan 8.380 nan 0.000 0.516 490 L N 1.813 123.071 121.223 0.058 0.000 2.534 490 L HA -0.014 4.911 4.340 0.974 0.000 0.271 490 L C 0.819 177.780 176.870 0.152 0.000 1.178 490 L CA 0.852 55.756 54.840 0.107 0.000 0.907 490 L CB 0.837 42.940 42.059 0.073 0.000 1.164 490 L HN 0.330 nan 8.230 nan 0.000 0.482 491 Q N 3.202 123.125 119.800 0.205 0.000 2.462 491 Q HA 0.101 5.026 4.340 0.974 0.000 0.224 491 Q C 0.036 176.228 176.000 0.320 0.000 0.911 491 Q CA 0.386 56.336 55.803 0.245 0.000 0.925 491 Q CB 0.886 29.758 28.738 0.223 0.000 1.063 491 Q HN 0.479 nan 8.270 nan 0.000 0.572 492 K N 0.930 121.539 120.400 0.349 0.000 2.345 492 K HA 0.430 5.334 4.320 0.974 0.000 0.255 492 K C -1.921 174.918 176.600 0.399 0.000 0.934 492 K CA -0.582 55.971 56.287 0.443 0.000 0.801 492 K CB 1.440 34.197 32.500 0.428 0.000 1.137 492 K HN -0.082 nan 8.250 nan 0.000 0.424 493 L N 3.504 124.970 121.223 0.405 0.000 2.406 493 L HA 0.434 5.359 4.340 0.974 0.000 0.272 493 L C -1.578 175.482 176.870 0.317 0.000 0.980 493 L CA 0.006 55.008 54.840 0.271 0.000 0.831 493 L CB 1.798 44.008 42.059 0.252 0.000 1.253 493 L HN 0.700 nan 8.230 nan 0.000 0.406 494 E N 6.384 126.734 120.200 0.249 0.000 2.191 494 E HA 0.619 5.554 4.350 0.974 0.000 0.263 494 E C -1.283 175.433 176.600 0.194 0.000 0.881 494 E CA -0.416 56.221 56.400 0.395 0.000 0.757 494 E CB 1.856 31.857 29.700 0.502 0.000 1.147 494 E HN 0.587 nan 8.360 nan 0.000 0.414 495 M N 3.053 122.718 119.600 0.108 0.000 2.393 495 M HA 0.519 5.584 4.480 0.974 0.000 0.299 495 M C -0.519 175.720 176.300 -0.101 0.000 1.103 495 M CA -0.851 54.436 55.300 -0.021 0.000 0.910 495 M CB 2.592 35.163 32.600 -0.049 0.000 1.659 495 M HN 0.368 nan 8.290 nan 0.000 0.445 496 R N 0.861 121.278 120.500 -0.139 0.000 2.771 496 R HA 0.778 5.702 4.340 0.974 0.000 0.274 496 R C 0.019 176.036 176.300 -0.472 0.000 0.987 496 R CA -0.049 55.934 56.100 -0.195 0.000 0.908 496 R CB 1.998 32.313 30.300 0.024 0.000 1.213 496 R HN 0.938 nan 8.270 nan 0.000 0.468 497 G N 1.246 109.758 108.800 -0.481 0.000 2.298 497 G HA2 -0.241 4.303 3.960 0.974 0.000 0.287 497 G HA3 -0.241 4.303 3.960 0.974 0.000 0.287 497 G C -0.383 173.981 174.900 -0.893 0.000 1.075 497 G CA 0.247 44.834 45.100 -0.855 0.000 0.960 497 G HN 0.628 nan 8.290 nan 0.000 0.502 498 C N -1.118 117.869 119.300 -0.522 0.000 2.595 498 C HA 0.668 5.712 4.460 0.974 0.000 0.338 498 C C 1.919 176.608 174.990 -0.501 0.000 1.219 498 C CA -0.069 58.594 59.018 -0.592 0.000 1.811 498 C CB 1.413 28.762 27.740 -0.652 0.000 2.313 498 C HN 1.105 nan 8.230 nan 0.000 0.499 499 C N -1.047 117.826 119.300 -0.711 0.000 2.780 499 C HA 0.459 5.503 4.460 0.974 0.000 0.287 499 C C 0.340 175.178 174.990 -0.252 0.000 1.288 499 C CA -0.655 58.133 59.018 -0.384 0.000 1.713 499 C CB -2.495 25.081 27.740 -0.273 0.000 1.955 499 C HN 0.641 nan 8.230 nan 0.000 0.613 500 F N 2.695 122.642 119.950 -0.005 0.000 2.378 500 F HA 0.464 5.574 4.527 0.972 0.000 0.319 500 F C 1.210 177.042 175.800 0.052 0.000 1.155 500 F CA -0.328 57.677 58.000 0.009 0.000 1.157 500 F CB 0.727 39.720 39.000 -0.012 0.000 1.252 500 F HN 0.206 nan 8.300 nan 0.000 0.550 501 S N -0.362 115.494 115.700 0.259 0.000 2.690 501 S HA 0.289 5.344 4.470 0.974 0.000 0.291 501 S C 0.578 175.286 174.600 0.180 0.000 1.138 501 S CA -0.855 57.453 58.200 0.180 0.000 1.013 501 S CB 1.632 64.901 63.200 0.116 0.000 1.053 501 S HN 0.722 nan 8.310 nan 0.000 0.539 502 E N 1.169 121.483 120.200 0.191 0.000 2.033 502 E HA -0.238 4.697 4.350 0.974 0.000 0.199 502 E C 2.266 178.911 176.600 0.076 0.000 1.011 502 E CA 1.508 58.000 56.400 0.154 0.000 0.815 502 E CB -0.256 29.543 29.700 0.164 0.000 0.755 502 E HN 0.698 nan 8.360 nan 0.000 0.451 503 R N 1.349 121.887 120.500 0.063 0.000 2.193 503 R HA -0.051 4.874 4.340 0.974 0.000 0.229 503 R C 1.870 178.180 176.300 0.018 0.000 1.110 503 R CA 1.444 57.565 56.100 0.034 0.000 0.988 503 R CB -0.347 29.970 30.300 0.028 0.000 0.871 503 R HN 0.146 nan 8.270 nan 0.000 0.458 504 A N 1.991 124.829 122.820 0.030 0.000 1.897 504 A HA 0.045 4.949 4.320 0.974 0.000 0.215 504 A C 2.390 179.951 177.584 -0.038 0.000 1.181 504 A CA 0.941 52.976 52.037 -0.004 0.000 0.620 504 A CB -0.206 18.809 19.000 0.025 0.000 0.821 504 A HN 0.228 nan 8.150 nan 0.000 0.443 505 I N 0.071 120.637 120.570 -0.006 0.000 2.113 505 I HA -0.261 4.494 4.170 0.974 0.000 0.238 505 I C 3.012 179.114 176.117 -0.025 0.000 1.070 505 I CA 1.581 62.866 61.300 -0.025 0.000 1.332 505 I CB -1.422 36.559 38.000 -0.031 0.000 1.044 505 I HN 0.362 nan 8.210 nan 0.000 0.402 506 A N 1.040 123.852 122.820 -0.014 0.000 1.940 506 A HA -0.174 4.730 4.320 0.974 0.000 0.219 506 A C 2.583 180.142 177.584 -0.042 0.000 1.176 506 A CA 2.186 54.214 52.037 -0.016 0.000 0.631 506 A CB -0.785 18.216 19.000 0.000 0.000 0.814 506 A HN 0.476 nan 8.150 nan 0.000 0.446 507 A N -0.127 122.671 122.820 -0.037 0.000 1.858 507 A HA 0.130 5.035 4.320 0.974 0.000 0.216 507 A C 2.541 180.090 177.584 -0.059 0.000 1.190 507 A CA 2.270 54.279 52.037 -0.047 0.000 0.617 507 A CB -1.143 17.833 19.000 -0.040 0.000 0.827 507 A HN 1.151 nan 8.150 nan 0.000 0.443 508 A N -0.746 122.041 122.820 -0.056 0.000 1.972 508 A HA 0.014 4.919 4.320 0.974 0.000 0.219 508 A C 2.220 179.777 177.584 -0.045 0.000 1.169 508 A CA 1.725 53.734 52.037 -0.046 0.000 0.635 508 A CB -0.882 18.099 19.000 -0.032 0.000 0.810 508 A HN 0.385 nan 8.150 nan 0.000 0.446 509 V N -0.180 119.700 119.914 -0.056 0.000 2.343 509 V HA -0.238 4.467 4.120 0.974 0.000 0.247 509 V C 2.763 178.754 176.094 -0.171 0.000 1.051 509 V CA 2.511 64.749 62.300 -0.102 0.000 1.036 509 V CB -1.152 30.595 31.823 -0.126 0.000 0.654 509 V HN 0.634 nan 8.190 nan 0.000 0.451 510 T N -0.779 113.682 114.554 -0.155 0.000 2.746 510 T HA -0.238 4.697 4.350 0.974 0.000 0.267 510 T C 1.952 176.588 174.700 -0.106 0.000 1.039 510 T CA 1.549 63.560 62.100 -0.148 0.000 1.142 510 T CB -0.204 68.598 68.868 -0.110 0.000 0.866 510 T HN 0.384 nan 8.240 nan 0.000 0.444 511 K N 0.205 120.552 120.400 -0.088 0.000 2.211 511 K HA 0.107 5.012 4.320 0.974 0.000 0.203 511 K C 0.259 176.809 176.600 -0.083 0.000 1.050 511 K CA 0.398 56.637 56.287 -0.079 0.000 0.945 511 K CB -0.203 32.251 32.500 -0.077 0.000 0.732 511 K HN 0.304 nan 8.250 nan 0.000 0.451 512 L N 2.576 123.749 121.223 -0.083 0.000 2.369 512 L HA 0.068 4.993 4.340 0.974 0.000 0.279 512 L C -1.384 175.461 176.870 -0.042 0.000 1.108 512 L CA -1.327 53.471 54.840 -0.071 0.000 0.852 512 L CB 0.683 42.715 42.059 -0.045 0.000 1.169 512 L HN 0.061 nan 8.230 nan 0.000 0.452 513 P HA -0.111 nan 4.420 nan 0.000 0.216 513 P C 1.082 178.403 177.300 0.035 0.000 1.153 513 P CA 1.044 64.139 63.100 -0.008 0.000 0.848 513 P CB 0.441 32.130 31.700 -0.018 0.000 0.787 514 S N -1.108 114.622 115.700 0.051 0.000 2.511 514 S HA 0.126 5.181 4.470 0.974 0.000 0.214 514 S C 0.770 175.470 174.600 0.168 0.000 0.997 514 S CA -0.495 57.764 58.200 0.098 0.000 0.908 514 S CB -0.485 62.764 63.200 0.083 0.000 0.803 514 S HN -0.003 nan 8.310 nan 0.000 0.504 515 L N 3.549 124.866 121.223 0.157 0.000 2.499 515 L HA 0.126 5.050 4.340 0.974 0.000 0.273 515 L C 0.939 178.024 176.870 0.358 0.000 1.195 515 L CA 0.663 55.640 54.840 0.227 0.000 0.882 515 L CB 0.468 42.621 42.059 0.156 0.000 1.133 515 L HN 0.203 nan 8.230 nan 0.000 0.483 516 R N 3.067 123.850 120.500 0.472 0.000 2.541 516 R HA 0.243 5.167 4.340 0.974 0.000 0.332 516 R C -0.867 175.826 176.300 0.654 0.000 0.951 516 R CA -0.497 55.992 56.100 0.650 0.000 1.136 516 R CB 0.105 30.759 30.300 0.589 0.000 1.449 516 R HN 0.494 nan 8.270 nan 0.000 0.531 517 Y N 0.677 121.230 120.300 0.420 0.000 2.390 517 Y HA 0.498 5.568 4.550 0.866 0.000 0.324 517 Y C -2.208 173.892 175.900 0.332 0.000 1.151 517 Y CA -1.421 56.880 58.100 0.335 0.000 1.053 517 Y CB 2.085 40.719 38.460 0.290 0.000 1.277 517 Y HN 0.060 nan 8.280 nan 0.000 0.432 518 L N 7.623 128.924 121.223 0.129 0.000 2.406 518 L HA 0.578 5.502 4.340 0.974 0.000 0.272 518 L C -2.084 174.829 176.870 0.072 0.000 0.980 518 L CA -0.489 54.466 54.840 0.192 0.000 0.831 518 L CB 1.277 43.467 42.059 0.218 0.000 1.253 518 L HN 0.701 nan 8.230 nan 0.000 0.406 519 W N 7.519 128.826 121.300 0.013 0.000 2.702 519 W HA 0.801 6.032 4.660 0.951 0.000 0.331 519 W C -2.304 174.199 176.519 -0.026 0.000 1.049 519 W CA -0.841 56.483 57.345 -0.036 0.000 1.230 519 W CB 1.797 31.272 29.460 0.025 0.000 1.408 519 W HN 0.366 nan 8.180 nan 0.000 0.492 520 V N 5.240 124.486 119.914 -1.113 0.000 2.733 520 V HA 0.283 4.988 4.120 0.974 0.000 0.306 520 V C -0.787 174.626 176.094 -1.136 0.000 1.084 520 V CA -0.650 61.081 62.300 -0.950 0.000 0.905 520 V CB 1.957 33.466 31.823 -0.523 0.000 1.010 520 V HN 0.613 nan 8.190 nan 0.000 0.424 521 Q N 2.329 121.657 119.800 -0.787 0.000 2.330 521 Q HA 0.638 5.563 4.340 0.974 0.000 0.269 521 Q C -0.072 175.875 176.000 -0.088 0.000 1.022 521 Q CA 0.120 55.698 55.803 -0.374 0.000 0.796 521 Q CB 2.009 30.564 28.738 -0.305 0.000 1.271 521 Q HN 1.390 nan 8.270 nan 0.000 0.450 522 G N 3.338 112.210 108.800 0.120 0.000 3.405 522 G HA2 -0.149 4.396 3.960 0.974 0.000 0.676 522 G HA3 -0.149 4.396 3.960 0.974 0.000 0.676 522 G C -1.455 173.530 174.900 0.142 0.000 1.039 522 G CA -0.042 45.093 45.100 0.059 0.000 0.855 522 G HN 0.847 nan 8.290 nan 0.000 0.443 523 Y N -1.278 118.963 120.300 -0.098 0.000 2.620 523 Y HA 0.716 5.856 4.550 0.983 0.000 0.331 523 Y C -0.227 175.649 175.900 -0.041 0.000 1.173 523 Y CA -2.097 55.959 58.100 -0.074 0.000 1.076 523 Y CB 0.731 39.162 38.460 -0.049 0.000 1.336 523 Y HN 0.580 nan 8.280 nan 0.000 0.459 524 R N 2.273 122.763 120.500 -0.016 0.000 2.402 524 R HA 0.553 5.478 4.340 0.974 0.000 0.331 524 R C 0.391 176.638 176.300 -0.089 0.000 1.040 524 R CA 0.478 56.531 56.100 -0.079 0.000 0.980 524 R CB 0.440 30.740 30.300 0.000 0.000 0.967 524 R HN 0.860 nan 8.270 nan 0.000 0.440 525 A N 2.750 125.424 122.820 -0.244 0.000 2.768 525 A HA 0.540 5.444 4.320 0.974 0.000 0.239 525 A C -0.064 177.501 177.584 -0.032 0.000 1.794 525 A CA -0.029 51.908 52.037 -0.166 0.000 0.853 525 A CB 0.509 19.341 19.000 -0.279 0.000 1.725 525 A HN 0.718 nan 8.150 nan 0.000 0.648 526 S N -3.527 112.166 115.700 -0.012 0.000 2.596 526 S HA 0.272 5.326 4.470 0.974 0.000 0.305 526 S C 0.032 174.636 174.600 0.006 0.000 1.086 526 S CA 0.145 58.346 58.200 0.001 0.000 0.909 526 S CB 0.306 63.518 63.200 0.020 0.000 1.106 526 S HN 0.801 nan 8.310 nan 0.000 0.450 527 M N 3.130 122.729 119.600 -0.002 0.000 2.144 527 M HA -0.073 4.991 4.480 0.974 0.000 0.260 527 M C 2.018 178.325 176.300 0.011 0.000 1.067 527 M CA 2.812 58.113 55.300 0.001 0.000 1.095 527 M CB -1.530 31.068 32.600 -0.002 0.000 1.365 527 M HN 0.967 nan 8.290 nan 0.000 0.406 528 T N -0.601 113.961 114.554 0.013 0.000 2.564 528 T HA -0.168 4.767 4.350 0.974 0.000 0.264 528 T C 1.753 176.468 174.700 0.025 0.000 1.100 528 T CA 2.300 64.411 62.100 0.017 0.000 1.171 528 T CB -1.353 67.526 68.868 0.019 0.000 0.863 528 T HN 0.729 nan 8.240 nan 0.000 0.430 529 G N -0.066 108.756 108.800 0.035 0.000 2.241 529 G HA2 -0.273 4.271 3.960 0.974 0.000 0.244 529 G HA3 -0.273 4.271 3.960 0.974 0.000 0.244 529 G C 0.843 175.773 174.900 0.049 0.000 0.998 529 G CA 0.439 45.569 45.100 0.050 0.000 0.621 529 G HN 0.466 nan 8.290 nan 0.000 0.519 530 Q N 0.517 120.339 119.800 0.037 0.000 2.482 530 Q HA 0.100 5.025 4.340 0.974 0.000 0.209 530 Q C 1.581 177.601 176.000 0.034 0.000 0.961 530 Q CA 1.439 57.261 55.803 0.031 0.000 0.945 530 Q CB -0.029 28.723 28.738 0.023 0.000 1.012 530 Q HN 0.734 nan 8.270 nan 0.000 0.515 531 D N -0.141 120.285 120.400 0.043 0.000 2.183 531 D HA -0.027 5.197 4.640 0.974 0.000 0.205 531 D C 1.786 178.111 176.300 0.042 0.000 0.962 531 D CA 0.248 54.273 54.000 0.042 0.000 0.849 531 D CB 0.075 40.905 40.800 0.051 0.000 0.978 531 D HN 0.099 nan 8.370 nan 0.000 0.488 532 L N 0.303 121.557 121.223 0.051 0.000 2.051 532 L HA -0.221 4.704 4.340 0.974 0.000 0.214 532 L C 2.080 178.977 176.870 0.044 0.000 1.076 532 L CA 0.758 55.624 54.840 0.043 0.000 0.758 532 L CB -0.300 41.783 42.059 0.041 0.000 0.890 532 L HN 0.171 nan 8.230 nan 0.000 0.433 533 M N -0.289 119.336 119.600 0.041 0.000 2.255 533 M HA -0.277 4.788 4.480 0.974 0.000 0.259 533 M C 2.084 178.404 176.300 0.033 0.000 1.071 533 M CA 1.607 56.931 55.300 0.039 0.000 1.074 533 M CB -1.097 31.521 32.600 0.030 0.000 1.384 533 M HN 0.480 nan 8.290 nan 0.000 0.415 534 Q N 0.203 120.016 119.800 0.022 0.000 2.491 534 Q HA -0.076 4.848 4.340 0.974 0.000 0.214 534 Q C 1.151 177.145 176.000 -0.010 0.000 0.970 534 Q CA 0.610 56.417 55.803 0.006 0.000 0.960 534 Q CB -0.499 28.240 28.738 0.002 0.000 0.996 534 Q HN 0.750 nan 8.270 nan 0.000 0.524 535 M N -2.740 116.862 119.600 0.003 0.000 2.347 535 M HA 0.515 5.579 4.480 0.974 0.000 0.302 535 M C 0.265 176.554 176.300 -0.019 0.000 1.051 535 M CA -0.382 54.889 55.300 -0.049 0.000 0.988 535 M CB 0.727 33.294 32.600 -0.054 0.000 1.475 535 M HN 0.040 nan 8.290 nan 0.000 0.530 536 A N 2.546 125.400 122.820 0.057 0.000 2.532 536 A HA 0.267 5.172 4.320 0.974 0.000 0.269 536 A C -0.149 177.470 177.584 0.058 0.000 1.079 536 A CA 0.310 52.404 52.037 0.096 0.000 0.800 536 A CB -0.359 18.679 19.000 0.063 0.000 1.000 536 A HN 0.716 nan 8.150 nan 0.000 0.522 537 R N 2.540 123.102 120.500 0.103 0.000 2.902 537 R HA 0.622 5.546 4.340 0.974 0.000 0.258 537 R C -2.829 173.590 176.300 0.198 0.000 1.071 537 R CA -1.914 54.258 56.100 0.121 0.000 1.024 537 R CB 0.409 30.781 30.300 0.120 0.000 1.184 537 R HN 0.380 nan 8.270 nan 0.000 0.492 538 P HA 0.138 nan 4.420 nan 0.000 0.275 538 P C -0.956 176.522 177.300 0.296 0.000 1.227 538 P CA -0.064 63.081 63.100 0.075 0.000 0.781 538 P CB 0.208 31.907 31.700 -0.002 0.000 0.906 539 Y N -2.263 118.187 120.300 0.250 0.000 4.929 539 Y HA -0.214 4.909 4.550 0.955 0.000 0.253 539 Y C 0.185 176.365 175.900 0.466 0.000 0.946 539 Y CA 0.486 58.783 58.100 0.328 0.000 1.905 539 Y CB -1.777 36.873 38.460 0.317 0.000 1.400 539 Y HN 0.500 nan 8.280 nan 0.000 0.531 540 W N 3.928 125.367 121.300 0.232 0.000 2.357 540 W HA 0.385 5.691 4.660 1.077 0.000 0.317 540 W C -0.488 175.945 176.519 -0.144 0.000 1.101 540 W CA -0.539 56.774 57.345 -0.053 0.000 1.380 540 W CB 0.490 29.872 29.460 -0.130 0.000 1.266 540 W HN -0.065 nan 8.180 nan 0.000 0.419 541 N N 5.583 123.891 118.700 -0.653 0.000 2.434 541 N HA 0.248 5.573 4.740 0.974 0.000 0.272 541 N C -0.508 174.454 175.510 -0.913 0.000 1.040 541 N CA -0.248 52.373 53.050 -0.716 0.000 0.956 541 N CB 1.407 39.333 38.487 -0.935 0.000 1.108 541 N HN 0.414 nan 8.380 nan 0.000 0.481 542 I N -1.368 118.904 120.570 -0.498 0.000 2.474 542 I HA 0.582 5.336 4.170 0.974 0.000 0.294 542 I C -0.492 175.523 176.117 -0.171 0.000 1.005 542 I CA -0.347 60.741 61.300 -0.353 0.000 1.113 542 I CB 1.653 39.545 38.000 -0.180 0.000 1.289 542 I HN 0.343 nan 8.210 nan 0.000 0.436 543 E N 5.952 126.105 120.200 -0.079 0.000 2.317 543 E HA 0.664 5.599 4.350 0.974 0.000 0.270 543 E C -1.536 175.107 176.600 0.071 0.000 0.885 543 E CA -0.856 55.565 56.400 0.036 0.000 0.760 543 E CB 2.575 32.369 29.700 0.157 0.000 1.227 543 E HN 0.606 nan 8.360 nan 0.000 0.434 544 L N 3.600 124.874 121.223 0.085 0.000 2.346 544 L HA 0.629 5.554 4.340 0.974 0.000 0.276 544 L C -0.568 176.372 176.870 0.117 0.000 1.006 544 L CA -0.639 54.258 54.840 0.094 0.000 0.817 544 L CB 1.224 43.327 42.059 0.074 0.000 1.272 544 L HN 0.388 nan 8.230 nan 0.000 0.421 545 I N 2.319 122.955 120.570 0.109 0.000 2.892 545 I HA 0.463 5.217 4.170 0.974 0.000 0.306 545 I C -2.165 173.877 176.117 -0.124 0.000 1.078 545 I CA -1.720 59.615 61.300 0.059 0.000 1.032 545 I CB 2.607 40.706 38.000 0.166 0.000 1.229 545 I HN 0.372 nan 8.210 nan 0.000 0.435 546 P HA 0.221 nan 4.420 nan 0.000 0.236 546 P C -0.741 176.426 177.300 -0.221 0.000 1.160 546 P CA -0.153 62.870 63.100 -0.129 0.000 0.688 546 P CB 0.462 32.159 31.700 -0.005 0.000 1.193 547 S N -2.237 113.443 115.700 -0.034 0.000 2.754 547 S HA 0.452 5.506 4.470 0.974 0.000 0.302 547 S C -1.472 173.177 174.600 0.082 0.000 0.922 547 S CA -0.723 57.488 58.200 0.017 0.000 0.822 547 S CB 0.125 63.329 63.200 0.006 0.000 1.020 547 S HN 0.074 nan 8.310 nan 0.000 0.475 548 R N 1.305 121.833 120.500 0.046 0.000 3.142 548 R HA 0.630 5.555 4.340 0.974 0.000 0.260 548 R C -0.597 175.720 176.300 0.028 0.000 1.129 548 R CA -0.737 55.399 56.100 0.060 0.000 0.976 548 R CB 0.553 30.891 30.300 0.064 0.000 1.396 548 R HN 0.915 nan 8.270 nan 0.000 0.434 564 H N 3.163 122.267 119.070 0.056 0.000 2.887 564 H HA 0.323 5.465 4.556 0.976 0.000 0.300 564 H C -2.176 173.191 175.328 0.066 0.000 1.038 564 H CA -1.929 54.173 56.048 0.091 0.000 1.352 564 H CB 1.307 31.136 29.762 0.113 0.000 1.473 564 H HN 0.392 nan 8.280 nan 0.000 0.503 565 P HA -0.026 nan 4.420 nan 0.000 0.270 565 P C 0.016 177.395 177.300 0.132 0.000 1.221 565 P CA -0.348 62.816 63.100 0.107 0.000 0.788 565 P CB 0.690 32.440 31.700 0.083 0.000 0.904 566 A N 1.539 124.412 122.820 0.089 0.000 2.498 566 A HA 0.079 4.984 4.320 0.974 0.000 0.239 566 A C 0.190 177.941 177.584 0.278 0.000 1.068 566 A CA 0.155 52.269 52.037 0.128 0.000 0.766 566 A CB -0.738 18.355 19.000 0.154 0.000 1.003 566 A HN 0.637 nan 8.150 nan 0.000 0.497 567 H N 0.333 119.422 119.070 0.031 0.000 2.479 567 H HA 0.563 5.702 4.556 0.971 0.000 0.335 567 H C -0.734 174.495 175.328 -0.165 0.000 1.142 567 H CA -0.756 55.169 56.048 -0.205 0.000 1.234 567 H CB 1.517 31.189 29.762 -0.151 0.000 1.503 567 H HN 0.545 nan 8.280 nan 0.000 0.510 568 I N 3.006 123.433 120.570 -0.238 0.000 2.404 568 I HA 0.167 4.922 4.170 0.974 0.000 0.293 568 I C -1.127 174.916 176.117 -0.123 0.000 0.992 568 I CA -0.699 60.485 61.300 -0.194 0.000 1.149 568 I CB 1.802 39.584 38.000 -0.363 0.000 1.315 568 I HN 0.215 nan 8.210 nan 0.000 0.446 569 L N 7.008 128.233 121.223 0.004 0.000 2.406 569 L HA 0.882 5.807 4.340 0.974 0.000 0.272 569 L C -0.994 175.831 176.870 -0.076 0.000 0.980 569 L CA -0.069 54.796 54.840 0.041 0.000 0.831 569 L CB 1.550 43.740 42.059 0.219 0.000 1.253 569 L HN 0.678 nan 8.230 nan 0.000 0.406 570 A N 4.301 126.982 122.820 -0.231 0.000 2.449 570 A HA 0.891 5.795 4.320 0.974 0.000 0.302 570 A C -1.845 175.292 177.584 -0.745 0.000 1.048 570 A CA -0.391 51.270 52.037 -0.627 0.000 0.708 570 A CB 1.255 19.817 19.000 -0.731 0.000 1.274 570 A HN 0.899 nan 8.150 nan 0.000 0.410 571 Y N -1.606 118.071 120.300 -1.039 0.000 2.609 571 Y HA 0.694 5.393 4.550 0.248 0.000 0.336 571 Y C -1.212 174.424 175.900 -0.441 0.000 1.129 571 Y CA -1.520 56.234 58.100 -0.577 0.000 1.040 571 Y CB 0.758 39.165 38.460 -0.087 0.000 1.310 571 Y HN 0.584 nan 8.280 nan 0.000 0.460 572 Y N 1.302 121.764 120.300 0.270 0.000 2.309 572 Y HA 0.492 5.599 4.550 0.928 0.000 0.327 572 Y C 0.519 176.646 175.900 0.379 0.000 1.172 572 Y CA 0.217 58.540 58.100 0.372 0.000 1.280 572 Y CB 1.616 40.346 38.460 0.449 0.000 1.234 572 Y HN 0.712 nan 8.280 nan 0.000 0.512 573 S N 3.677 119.696 115.700 0.531 0.000 2.566 573 S HA 0.309 5.364 4.470 0.974 0.000 0.273 573 S C -0.240 174.614 174.600 0.424 0.000 1.157 573 S CA -0.775 57.698 58.200 0.455 0.000 0.938 573 S CB 0.610 64.095 63.200 0.475 0.000 1.087 573 S HN 0.760 nan 8.310 nan 0.000 0.474 574 L N 3.428 124.843 121.223 0.320 0.000 2.650 574 L HA 0.219 5.143 4.340 0.974 0.000 0.235 574 L C 1.943 178.986 176.870 0.289 0.000 1.149 574 L CA 0.763 55.776 54.840 0.288 0.000 0.887 574 L CB -0.470 41.679 42.059 0.150 0.000 1.021 574 L HN 0.774 nan 8.230 nan 0.000 0.441 575 A N -0.652 122.336 122.820 0.280 0.000 2.167 575 A HA 0.549 5.453 4.320 0.974 0.000 0.208 575 A C 1.190 178.879 177.584 0.176 0.000 1.198 575 A CA 0.542 52.708 52.037 0.215 0.000 0.863 575 A CB 0.280 19.419 19.000 0.232 0.000 0.904 575 A HN 0.400 nan 8.150 nan 0.000 0.484 576 G N -0.679 108.231 108.800 0.185 0.000 2.685 576 G HA2 -0.107 4.438 3.960 0.974 0.000 0.387 576 G HA3 -0.107 4.438 3.960 0.974 0.000 0.387 576 G C -0.620 174.335 174.900 0.092 0.000 1.324 576 G CA -0.394 44.769 45.100 0.106 0.000 0.878 576 G HN 0.540 nan 8.290 nan 0.000 0.527 577 Q N 0.418 120.238 119.800 0.034 0.000 2.332 577 Q HA 0.413 5.338 4.340 0.974 0.000 0.263 577 Q C 0.947 176.958 176.000 0.018 0.000 0.979 577 Q CA 0.001 55.808 55.803 0.006 0.000 0.885 577 Q CB 0.478 29.198 28.738 -0.029 0.000 1.218 577 Q HN 0.558 nan 8.270 nan 0.000 0.405 578 R N 1.409 121.904 120.500 -0.009 0.000 2.623 578 R HA 0.018 4.943 4.340 0.974 0.000 0.271 578 R C 0.817 177.089 176.300 -0.048 0.000 1.043 578 R CA 0.097 56.175 56.100 -0.037 0.000 1.083 578 R CB 0.005 30.128 30.300 -0.295 0.000 0.974 578 R HN 0.583 nan 8.270 nan 0.000 0.436 579 T N 0.823 115.372 114.554 -0.008 0.000 2.857 579 T HA -0.116 4.818 4.350 0.974 0.000 0.266 579 T C 0.764 175.436 174.700 -0.046 0.000 1.048 579 T CA 1.584 63.670 62.100 -0.023 0.000 1.139 579 T CB -0.194 68.668 68.868 -0.010 0.000 0.874 579 T HN 0.775 nan 8.240 nan 0.000 0.455 580 D N 0.420 120.795 120.400 -0.042 0.000 2.413 580 D HA 0.087 5.312 4.640 0.974 0.000 0.237 580 D C -0.115 176.149 176.300 -0.061 0.000 1.171 580 D CA -0.442 53.534 54.000 -0.040 0.000 0.839 580 D CB -1.472 39.353 40.800 0.042 0.000 0.950 580 D HN 0.201 nan 8.370 nan 0.000 0.499 581 C N 1.653 120.883 119.300 -0.117 0.000 2.657 581 C HA 0.223 5.268 4.460 0.974 0.000 0.420 581 C C -1.419 173.542 174.990 -0.048 0.000 1.323 581 C CA -0.852 58.087 59.018 -0.132 0.000 1.894 581 C CB -0.037 27.634 27.740 -0.115 0.000 2.681 581 C HN 0.388 nan 8.230 nan 0.000 0.613 582 P HA 0.179 nan 4.420 nan 0.000 0.282 582 P C 0.814 178.126 177.300 0.021 0.000 1.286 582 P CA -0.029 63.088 63.100 0.029 0.000 0.777 582 P CB 0.291 32.031 31.700 0.065 0.000 1.184 583 T N -1.050 113.523 114.554 0.031 0.000 2.942 583 T HA -0.079 4.855 4.350 0.974 0.000 0.265 583 T C 1.490 176.211 174.700 0.036 0.000 1.062 583 T CA 1.850 63.966 62.100 0.026 0.000 1.139 583 T CB -1.007 67.876 68.868 0.024 0.000 0.883 583 T HN 0.622 nan 8.240 nan 0.000 0.468 584 T N 0.079 114.663 114.554 0.051 0.000 3.025 584 T HA 0.040 4.975 4.350 0.974 0.000 0.270 584 T C 0.645 175.388 174.700 0.071 0.000 1.126 584 T CA 0.261 62.398 62.100 0.060 0.000 1.105 584 T CB -0.317 68.596 68.868 0.075 0.000 0.884 584 T HN 0.105 nan 8.240 nan 0.000 0.522 585 V N 1.301 121.257 119.914 0.071 0.000 2.448 585 V HA 0.491 5.195 4.120 0.974 0.000 0.295 585 V C -0.057 176.067 176.094 0.048 0.000 1.025 585 V CA -1.143 61.210 62.300 0.088 0.000 0.859 585 V CB 1.781 33.675 31.823 0.119 0.000 0.988 585 V HN 0.231 nan 8.190 nan 0.000 0.431 586 R N 2.845 123.375 120.500 0.051 0.000 2.393 586 R HA 0.707 5.632 4.340 0.974 0.000 0.310 586 R C -1.276 175.035 176.300 0.019 0.000 0.968 586 R CA -0.534 55.583 56.100 0.028 0.000 0.867 586 R CB 2.003 32.321 30.300 0.030 0.000 1.124 586 R HN 0.565 nan 8.270 nan 0.000 0.450 587 V N 5.961 125.873 119.914 -0.002 0.000 2.333 587 V HA 0.246 4.951 4.120 0.974 0.000 0.274 587 V C 0.419 176.502 176.094 -0.018 0.000 1.028 587 V CA -0.694 61.594 62.300 -0.020 0.000 0.851 587 V CB 1.136 32.937 31.823 -0.037 0.000 1.000 587 V HN 0.656 nan 8.190 nan 0.000 0.456 588 L N 5.513 126.724 121.223 -0.020 0.000 2.410 588 L HA 0.324 5.249 4.340 0.974 0.000 0.273 588 L C 0.622 177.483 176.870 -0.014 0.000 1.152 588 L CA 0.315 55.149 54.840 -0.010 0.000 0.855 588 L CB 0.475 42.533 42.059 -0.002 0.000 1.129 588 L HN 0.627 nan 8.230 nan 0.000 0.463 589 K N 4.409 124.806 120.400 -0.005 0.000 2.895 589 K HA 0.179 5.083 4.320 0.974 0.000 0.191 589 K C -0.707 175.895 176.600 0.002 0.000 1.117 589 K CA -0.446 55.837 56.287 -0.005 0.000 0.988 589 K CB 0.861 33.355 32.500 -0.010 0.000 1.181 589 K HN 0.567 nan 8.250 nan 0.000 0.598 590 E N -0.395 119.810 120.200 0.009 0.000 3.931 590 E HA -0.207 4.728 4.350 0.974 0.000 0.221 590 E C -2.548 174.057 176.600 0.009 0.000 1.488 590 E CA 0.550 56.956 56.400 0.010 0.000 2.372 590 E CB -1.535 28.169 29.700 0.007 0.000 2.116 590 E HN 0.319 nan 8.360 nan 0.000 0.464 591 P HA 0.075 nan 4.420 nan 0.000 0.263 591 P C 0.095 177.398 177.300 0.005 0.000 1.195 591 P CA 0.247 63.351 63.100 0.007 0.000 0.762 591 P CB 0.150 31.854 31.700 0.005 0.000 0.799 592 I N 0.000 120.573 120.570 0.006 0.000 2.984 592 I HA 0.000 4.755 4.170 0.974 0.000 0.288 592 I CA 0.000 61.303 61.300 0.004 0.000 1.566 592 I CB 0.000 38.004 38.000 0.006 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494