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 3h1d_1_A DATA FIRST_RESID 3980 DATA SEQUENCE SSGLEVLFQG PHMDFDVKRK YFRQELERLD EGLRKEDMAV HVRRDHVFED DATA SEQUENCE SYRELHRKSP EEMKNRLYIV FEGEEGQDAG GLLREWYMII SREMFNPMYA DATA SEQUENCE LFRTSPGDRV TYTINPSXXX XXNHLSYFKF VGRIVAKAVY DNRLLECYFT DATA SEQUENCE RSFYKHILGK SVRYTDMESE DYHFYQGLVY LLENDVSTLG YDLTFSTEVQ DATA SEQUENCE EFGVAEVRDL KPNGANILVT EENKKEYVHL VCQMRMTGAI RKQLAAFLEG DATA SEQUENCE FYEIIPKRLI SIFTEQELEL LISGLPTIDI DDLKSNTEYH KYQSNSIQIQ DATA SEQUENCE WFWRALRSFD QADRAKFLQF VTGTSKVPLQ GFAALEGMNG IQKFQIHRDD DATA SEQUENCE RSTDRLPSAH TCFNQLDLPA YESFEKLRHM LLLAIQE 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 3980 S HA 0.000 nan 4.470 nan 0.000 0.327 3980 S C 0.000 174.595 174.600 -0.008 0.000 1.055 3980 S CA 0.000 58.193 58.200 -0.011 0.000 1.107 3980 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 3981 S N 2.095 117.792 115.700 -0.006 0.000 2.937 3981 S HA 0.666 5.142 4.470 0.010 0.000 0.252 3981 S C 0.509 175.113 174.600 0.008 0.000 1.022 3981 S CA 0.139 58.339 58.200 -0.000 0.000 1.079 3981 S CB 0.392 63.591 63.200 -0.001 0.000 1.035 3981 S HN 1.619 nan 8.310 nan 0.000 0.594 3982 G N 0.956 109.760 108.800 0.006 0.000 2.466 3982 G HA2 0.450 4.416 3.960 0.010 0.000 0.291 3982 G HA3 0.450 4.416 3.960 0.010 0.000 0.291 3982 G C -0.797 174.099 174.900 -0.007 0.000 1.460 3982 G CA -0.415 44.697 45.100 0.019 0.000 0.791 3982 G HN 0.723 nan 8.290 nan 0.000 0.505 3983 L N -2.338 118.880 121.223 -0.008 0.000 3.122 3983 L HA 0.568 4.914 4.340 0.010 0.000 0.274 3983 L C 1.302 178.027 176.870 -0.240 0.000 1.222 3983 L CA -0.109 54.663 54.840 -0.114 0.000 1.028 3983 L CB 0.322 42.310 42.059 -0.118 0.000 1.386 3983 L HN 0.399 nan 8.230 nan 0.000 0.578 3984 E N 0.775 120.946 120.200 -0.049 0.000 2.171 3984 E HA -0.190 4.167 4.350 0.010 0.000 0.197 3984 E C 2.234 178.729 176.600 -0.174 0.000 0.997 3984 E CA 1.503 57.908 56.400 0.008 0.000 0.810 3984 E CB -0.476 29.364 29.700 0.233 0.000 0.738 3984 E HN 0.355 nan 8.360 nan 0.000 0.467 3985 V N 0.645 120.465 119.914 -0.157 0.000 2.568 3985 V HA -0.215 3.911 4.120 0.010 0.000 0.253 3985 V C 1.636 177.594 176.094 -0.227 0.000 1.072 3985 V CA 1.386 63.604 62.300 -0.136 0.000 1.084 3985 V CB -0.252 31.518 31.823 -0.088 0.000 0.676 3985 V HN 0.311 nan 8.190 nan 0.000 0.469 3986 L N -0.939 120.018 121.223 -0.443 0.000 2.362 3986 L HA -0.049 4.297 4.340 0.010 0.000 0.219 3986 L C 1.707 178.310 176.870 -0.446 0.000 1.134 3986 L CA 1.076 55.623 54.840 -0.488 0.000 0.807 3986 L CB -0.511 41.162 42.059 -0.642 0.000 0.927 3986 L HN 0.373 nan 8.230 nan 0.000 0.447 3987 F N -1.041 118.858 119.950 -0.086 0.000 2.664 3987 F HA 0.210 4.741 4.527 0.006 0.000 0.303 3987 F C 1.351 177.103 175.800 -0.080 0.000 1.092 3987 F CA -0.943 56.991 58.000 -0.111 0.000 1.305 3987 F CB -0.712 38.139 39.000 -0.248 0.000 1.054 3987 F HN 0.020 nan 8.300 nan 0.000 0.565 3988 Q N 0.600 120.428 119.800 0.045 0.000 2.524 3988 Q HA 0.402 4.748 4.340 0.010 0.000 0.246 3988 Q C 0.939 176.975 176.000 0.059 0.000 1.063 3988 Q CA 0.832 56.658 55.803 0.038 0.000 0.945 3988 Q CB 0.357 29.102 28.738 0.012 0.000 1.292 3988 Q HN 0.452 nan 8.270 nan 0.000 0.518 3989 G N 0.787 109.621 108.800 0.057 0.000 2.728 3989 G HA2 -0.167 3.799 3.960 0.010 0.000 0.294 3989 G HA3 -0.167 3.799 3.960 0.010 0.000 0.294 3989 G C -2.344 172.599 174.900 0.071 0.000 1.342 3989 G CA -0.427 44.707 45.100 0.057 0.000 0.866 3989 G HN 0.529 nan 8.290 nan 0.000 0.534 3990 P HA 0.061 nan 4.420 nan 0.000 0.255 3990 P C 1.085 178.437 177.300 0.086 0.000 1.248 3990 P CA 1.077 64.210 63.100 0.054 0.000 0.807 3990 P CB -0.022 31.689 31.700 0.019 0.000 1.150 3991 H N 0.321 119.396 119.070 0.008 0.000 2.421 3991 H HA 0.073 4.634 4.556 0.009 0.000 0.298 3991 H C 0.230 175.558 175.328 0.000 0.000 1.087 3991 H CA 0.682 56.734 56.048 0.005 0.000 1.330 3991 H CB 0.061 29.832 29.762 0.015 0.000 1.388 3991 H HN 0.093 nan 8.280 nan 0.000 0.526 3992 M N 2.628 122.162 119.600 -0.110 0.000 2.088 3992 M HA 0.099 4.585 4.480 0.010 0.000 0.346 3992 M C -0.841 175.424 176.300 -0.058 0.000 1.111 3992 M CA -0.840 54.347 55.300 -0.187 0.000 1.017 3992 M CB 1.546 34.041 32.600 -0.177 0.000 1.568 3992 M HN 0.066 nan 8.290 nan 0.000 0.445 3993 D N 1.875 122.240 120.400 -0.058 0.000 2.449 3993 D HA -0.091 4.555 4.640 0.010 0.000 0.236 3993 D C 0.680 177.042 176.300 0.102 0.000 1.149 3993 D CA 0.184 54.201 54.000 0.028 0.000 0.878 3993 D CB 0.554 41.359 40.800 0.009 0.000 1.198 3993 D HN 0.480 nan 8.370 nan 0.000 0.446 3994 F N 2.314 122.280 119.950 0.027 0.000 2.120 3994 F HA -0.286 4.249 4.527 0.014 0.000 0.300 3994 F C 1.820 177.682 175.800 0.103 0.000 1.095 3994 F CA 2.082 60.137 58.000 0.091 0.000 1.249 3994 F CB -0.167 38.871 39.000 0.064 0.000 0.995 3994 F HN 0.373 nan 8.300 nan 0.000 0.480 3995 D N -0.085 120.289 120.400 -0.043 0.000 2.117 3995 D HA -0.176 4.470 4.640 0.010 0.000 0.197 3995 D C 2.140 178.362 176.300 -0.130 0.000 0.987 3995 D CA 1.779 55.690 54.000 -0.150 0.000 0.829 3995 D CB -1.256 39.532 40.800 -0.020 0.000 0.961 3995 D HN 0.298 nan 8.370 nan 0.000 0.460 3996 V N 0.593 120.460 119.914 -0.080 0.000 2.358 3996 V HA -0.193 3.933 4.120 0.010 0.000 0.246 3996 V C 2.556 178.611 176.094 -0.065 0.000 1.047 3996 V CA 1.730 63.981 62.300 -0.082 0.000 1.035 3996 V CB -0.554 31.198 31.823 -0.117 0.000 0.658 3996 V HN 0.167 nan 8.190 nan 0.000 0.452 3997 K N -0.123 120.238 120.400 -0.065 0.000 2.032 3997 K HA -0.230 4.096 4.320 0.010 0.000 0.209 3997 K C 2.420 179.069 176.600 0.082 0.000 1.048 3997 K CA 1.737 58.002 56.287 -0.037 0.000 0.927 3997 K CB -0.281 32.196 32.500 -0.039 0.000 0.712 3997 K HN 0.268 nan 8.250 nan 0.000 0.441 3998 R N 1.466 121.964 120.500 -0.003 0.000 2.091 3998 R HA -0.164 4.182 4.340 0.010 0.000 0.238 3998 R C 2.329 178.703 176.300 0.123 0.000 1.136 3998 R CA 1.691 57.812 56.100 0.035 0.000 0.959 3998 R CB -0.029 30.036 30.300 -0.393 0.000 0.856 3998 R HN 0.075 nan 8.270 nan 0.000 0.437 3999 K N -0.568 119.855 120.400 0.037 0.000 2.057 3999 K HA -0.222 4.104 4.320 0.010 0.000 0.206 3999 K C 2.035 178.683 176.600 0.080 0.000 1.050 3999 K CA 1.540 57.851 56.287 0.039 0.000 0.935 3999 K CB -0.315 32.186 32.500 0.001 0.000 0.715 3999 K HN 0.202 nan 8.250 nan 0.000 0.439 4000 Y N 0.666 120.954 120.300 -0.019 0.000 2.145 4000 Y HA -0.262 4.286 4.550 -0.003 0.000 0.286 4000 Y C 1.956 177.888 175.900 0.054 0.000 1.145 4000 Y CA 1.895 59.979 58.100 -0.027 0.000 1.148 4000 Y CB -0.611 37.789 38.460 -0.100 0.000 0.981 4000 Y HN 0.147 nan 8.280 nan 0.000 0.507 4001 F N 1.167 121.108 119.950 -0.014 0.000 2.065 4001 F HA -0.259 4.274 4.527 0.010 0.000 0.298 4001 F C 2.593 178.347 175.800 -0.075 0.000 1.112 4001 F CA 2.352 60.340 58.000 -0.021 0.000 1.212 4001 F CB -0.533 38.610 39.000 0.237 0.000 0.975 4001 F HN 0.029 nan 8.300 nan 0.000 0.476 4002 R N 0.650 121.164 120.500 0.022 0.000 2.081 4002 R HA -0.167 4.179 4.340 0.010 0.000 0.235 4002 R C 2.220 178.386 176.300 -0.223 0.000 1.131 4002 R CA 2.046 58.063 56.100 -0.138 0.000 0.960 4002 R CB -0.827 29.458 30.300 -0.026 0.000 0.856 4002 R HN 0.487 nan 8.270 nan 0.000 0.436 4003 Q N -0.624 119.057 119.800 -0.199 0.000 2.167 4003 Q HA -0.155 4.191 4.340 0.010 0.000 0.202 4003 Q C 1.786 177.623 176.000 -0.272 0.000 0.970 4003 Q CA 1.687 57.367 55.803 -0.204 0.000 0.855 4003 Q CB -0.035 28.607 28.738 -0.160 0.000 0.911 4003 Q HN 0.300 nan 8.270 nan 0.000 0.438 4004 E N 0.642 120.594 120.200 -0.414 0.000 2.072 4004 E HA -0.115 4.241 4.350 0.010 0.000 0.190 4004 E C 1.694 178.127 176.600 -0.277 0.000 0.982 4004 E CA 0.817 56.987 56.400 -0.384 0.000 0.803 4004 E CB -0.147 29.239 29.700 -0.524 0.000 0.755 4004 E HN 0.280 nan 8.360 nan 0.000 0.453 4005 L N 0.462 121.476 121.223 -0.349 0.000 2.043 4005 L HA -0.236 4.110 4.340 0.010 0.000 0.212 4005 L C 2.389 179.172 176.870 -0.145 0.000 1.075 4005 L CA 1.848 56.538 54.840 -0.248 0.000 0.752 4005 L CB -0.487 41.358 42.059 -0.356 0.000 0.891 4005 L HN 0.228 nan 8.230 nan 0.000 0.432 4006 E N -0.323 119.774 120.200 -0.172 0.000 2.072 4006 E HA -0.189 4.167 4.350 0.010 0.000 0.191 4006 E C 2.350 178.901 176.600 -0.082 0.000 0.985 4006 E CA 0.787 57.118 56.400 -0.115 0.000 0.801 4006 E CB -0.044 29.585 29.700 -0.119 0.000 0.750 4006 E HN 0.399 nan 8.360 nan 0.000 0.452 4007 R N 0.525 120.965 120.500 -0.100 0.000 2.091 4007 R HA -0.124 4.223 4.340 0.010 0.000 0.238 4007 R C 2.381 178.650 176.300 -0.052 0.000 1.136 4007 R CA 1.079 57.136 56.100 -0.072 0.000 0.959 4007 R CB -0.369 29.882 30.300 -0.083 0.000 0.856 4007 R HN 0.188 nan 8.270 nan 0.000 0.437 4008 L N 0.489 121.678 121.223 -0.057 0.000 2.362 4008 L HA -0.123 4.224 4.340 0.010 0.000 0.219 4008 L C 0.767 177.630 176.870 -0.012 0.000 1.134 4008 L CA 0.760 55.581 54.840 -0.032 0.000 0.807 4008 L CB -0.080 41.959 42.059 -0.033 0.000 0.927 4008 L HN 0.080 nan 8.230 nan 0.000 0.447 4009 D N -0.568 119.829 120.400 -0.004 0.000 2.368 4009 D HA 0.053 4.699 4.640 0.010 0.000 0.218 4009 D C 0.292 176.591 176.300 -0.000 0.000 1.112 4009 D CA 0.050 54.059 54.000 0.015 0.000 0.834 4009 D CB 0.160 40.997 40.800 0.062 0.000 0.953 4009 D HN 0.290 nan 8.370 nan 0.000 0.505 4010 E N -0.021 120.171 120.200 -0.013 0.000 2.529 4010 E HA 0.207 4.563 4.350 0.010 0.000 0.259 4010 E C 1.304 177.897 176.600 -0.011 0.000 0.966 4010 E CA 0.674 57.066 56.400 -0.014 0.000 0.937 4010 E CB 0.524 30.213 29.700 -0.018 0.000 0.923 4010 E HN 0.259 nan 8.360 nan 0.000 0.468 4011 G N 2.696 111.490 108.800 -0.010 0.000 2.245 4011 G HA2 -0.323 3.643 3.960 0.010 0.000 0.264 4011 G HA3 -0.323 3.643 3.960 0.010 0.000 0.264 4011 G C 0.164 175.058 174.900 -0.008 0.000 0.985 4011 G CA 0.394 45.489 45.100 -0.010 0.000 0.625 4011 G HN 0.460 nan 8.290 nan 0.000 0.536 4012 L N 1.343 122.563 121.223 -0.006 0.000 2.462 4012 L HA 0.660 5.007 4.340 0.010 0.000 0.272 4012 L C 0.741 177.609 176.870 -0.003 0.000 1.166 4012 L CA -0.583 54.255 54.840 -0.005 0.000 0.880 4012 L CB 0.647 42.706 42.059 0.001 0.000 1.142 4012 L HN 0.313 nan 8.230 nan 0.000 0.473 4013 R N 5.078 125.573 120.500 -0.008 0.000 2.408 4013 R HA 0.336 4.682 4.340 0.010 0.000 0.308 4013 R C -0.577 175.718 176.300 -0.008 0.000 1.210 4013 R CA -0.059 56.036 56.100 -0.009 0.000 1.115 4013 R CB -0.151 30.142 30.300 -0.012 0.000 1.127 4013 R HN 0.649 nan 8.270 nan 0.000 0.523 4014 K N 2.566 122.965 120.400 -0.001 0.000 2.102 4014 K HA 0.236 4.562 4.320 0.010 0.000 0.244 4014 K C -0.115 176.481 176.600 -0.007 0.000 1.021 4014 K CA -0.499 55.789 56.287 0.001 0.000 0.913 4014 K CB 0.880 33.393 32.500 0.022 0.000 1.062 4014 K HN 0.795 nan 8.250 nan 0.000 0.485 4015 E N 0.119 120.313 120.200 -0.009 0.000 2.456 4015 E HA 0.253 4.609 4.350 0.010 0.000 0.278 4015 E C -1.424 175.166 176.600 -0.017 0.000 1.034 4015 E CA -0.917 55.473 56.400 -0.017 0.000 0.846 4015 E CB 0.880 30.568 29.700 -0.020 0.000 1.460 4015 E HN 0.257 nan 8.360 nan 0.000 0.463 4016 D N 0.712 121.096 120.400 -0.027 0.000 2.255 4016 D HA 0.356 5.002 4.640 0.010 0.000 0.249 4016 D C -0.705 175.596 176.300 0.000 0.000 1.078 4016 D CA 0.003 53.990 54.000 -0.022 0.000 0.896 4016 D CB 1.131 41.891 40.800 -0.066 0.000 1.194 4016 D HN 0.347 nan 8.370 nan 0.000 0.429 4017 M N 1.661 121.265 119.600 0.008 0.000 2.142 4017 M HA 0.508 4.994 4.480 0.010 0.000 0.299 4017 M C -1.152 175.130 176.300 -0.029 0.000 0.960 4017 M CA -0.641 54.653 55.300 -0.010 0.000 0.920 4017 M CB 1.556 34.128 32.600 -0.048 0.000 1.541 4017 M HN 0.407 nan 8.290 nan 0.000 0.429 4018 A N 4.171 126.982 122.820 -0.016 0.000 2.440 4018 A HA 0.575 4.901 4.320 0.010 0.000 0.251 4018 A C -0.743 176.638 177.584 -0.338 0.000 1.089 4018 A CA -0.408 51.501 52.037 -0.215 0.000 0.779 4018 A CB 0.275 19.183 19.000 -0.153 0.000 1.022 4018 A HN 0.656 nan 8.150 nan 0.000 0.492 4019 V N 5.189 124.757 119.914 -0.577 0.000 2.349 4019 V HA 0.239 4.365 4.120 0.010 0.000 0.284 4019 V C -0.429 175.314 176.094 -0.586 0.000 1.014 4019 V CA -0.543 61.461 62.300 -0.492 0.000 0.826 4019 V CB 0.704 32.174 31.823 -0.588 0.000 1.009 4019 V HN 0.891 nan 8.190 nan 0.000 0.431 4020 H N 4.082 122.989 119.070 -0.271 0.000 2.604 4020 H HA 0.610 5.173 4.556 0.010 0.000 0.306 4020 H C -0.178 175.060 175.328 -0.149 0.000 1.075 4020 H CA -0.074 55.838 56.048 -0.226 0.000 1.357 4020 H CB 2.079 31.750 29.762 -0.153 0.000 1.426 4020 H HN 0.597 nan 8.280 nan 0.000 0.470 4021 V N 1.399 121.271 119.914 -0.070 0.000 3.049 4021 V HA 0.525 4.651 4.120 0.010 0.000 0.309 4021 V C -0.163 176.009 176.094 0.130 0.000 1.148 4021 V CA -1.341 60.980 62.300 0.035 0.000 0.990 4021 V CB 2.489 34.342 31.823 0.051 0.000 1.039 4021 V HN 0.621 nan 8.190 nan 0.000 0.430 4022 R N 1.669 122.292 120.500 0.206 0.000 2.390 4022 R HA 0.418 4.764 4.340 0.010 0.000 0.291 4022 R C 1.383 177.901 176.300 0.363 0.000 1.070 4022 R CA -0.234 56.030 56.100 0.273 0.000 1.014 4022 R CB 0.925 31.395 30.300 0.284 0.000 1.007 4022 R HN 0.868 nan 8.270 nan 0.000 0.466 4023 R N 1.779 122.520 120.500 0.401 0.000 2.117 4023 R HA -0.183 4.163 4.340 0.010 0.000 0.243 4023 R C 0.608 177.035 176.300 0.212 0.000 1.143 4023 R CA 2.236 58.548 56.100 0.353 0.000 0.968 4023 R CB 0.040 30.404 30.300 0.107 0.000 0.863 4023 R HN 0.717 nan 8.270 nan 0.000 0.444 4024 D N -1.918 118.578 120.400 0.160 0.000 2.325 4024 D HA -0.043 4.603 4.640 0.010 0.000 0.225 4024 D C -0.295 175.866 176.300 -0.231 0.000 1.096 4024 D CA 0.311 54.305 54.000 -0.009 0.000 0.844 4024 D CB 0.015 40.785 40.800 -0.051 0.000 0.925 4024 D HN 0.420 nan 8.370 nan 0.000 0.513 4025 H N -0.957 118.223 119.070 0.183 0.000 3.074 4025 H HA 0.249 4.811 4.556 0.010 0.000 0.227 4025 H C 1.089 176.545 175.328 0.212 0.000 1.365 4025 H CA -0.262 55.903 56.048 0.195 0.000 1.078 4025 H CB 0.684 30.540 29.762 0.155 0.000 2.347 4025 H HN -0.152 nan 8.280 nan 0.000 0.567 4026 V N -0.069 120.022 119.914 0.295 0.000 2.343 4026 V HA -0.283 3.844 4.120 0.010 0.000 0.247 4026 V C 2.101 178.370 176.094 0.291 0.000 1.051 4026 V CA 2.010 64.484 62.300 0.290 0.000 1.036 4026 V CB -0.481 31.489 31.823 0.245 0.000 0.654 4026 V HN 0.452 nan 8.190 nan 0.000 0.451 4027 F N 1.186 121.198 119.950 0.103 0.000 2.113 4027 F HA -0.131 4.402 4.527 0.010 0.000 0.297 4027 F C 2.386 178.248 175.800 0.104 0.000 1.103 4027 F CA 2.011 60.041 58.000 0.050 0.000 1.248 4027 F CB -0.308 38.586 39.000 -0.177 0.000 0.999 4027 F HN 0.225 nan 8.300 nan 0.000 0.475 4028 E N -0.340 119.909 120.200 0.081 0.000 2.072 4028 E HA -0.188 4.168 4.350 0.010 0.000 0.191 4028 E C 1.820 178.442 176.600 0.037 0.000 0.985 4028 E CA 1.276 57.693 56.400 0.028 0.000 0.801 4028 E CB -0.193 29.615 29.700 0.181 0.000 0.750 4028 E HN 0.369 nan 8.360 nan 0.000 0.452 4029 D N 0.242 120.706 120.400 0.106 0.000 2.144 4029 D HA -0.080 4.566 4.640 0.010 0.000 0.200 4029 D C 2.027 178.353 176.300 0.042 0.000 0.978 4029 D CA 0.871 54.918 54.000 0.078 0.000 0.833 4029 D CB -0.217 40.657 40.800 0.124 0.000 0.961 4029 D HN -0.042 nan 8.370 nan 0.000 0.470 4030 S N -0.096 115.671 115.700 0.111 0.000 2.368 4030 S HA -0.183 4.293 4.470 0.010 0.000 0.225 4030 S C 1.822 176.343 174.600 -0.132 0.000 1.030 4030 S CA 0.642 58.959 58.200 0.195 0.000 0.999 4030 S CB -0.405 63.114 63.200 0.531 0.000 0.844 4030 S HN 0.362 nan 8.310 nan 0.000 0.459 4031 Y N 2.620 122.488 120.300 -0.721 0.000 2.097 4031 Y HA -0.164 4.392 4.550 0.010 0.000 0.282 4031 Y C 2.334 177.860 175.900 -0.623 0.000 1.152 4031 Y CA 1.564 58.821 58.100 -1.405 0.000 1.136 4031 Y CB -0.317 37.260 38.460 -1.472 0.000 0.975 4031 Y HN 0.052 nan 8.280 nan 0.000 0.498 4032 R N 0.056 120.359 120.500 -0.329 0.000 2.091 4032 R HA -0.162 4.184 4.340 0.010 0.000 0.238 4032 R C 2.117 178.303 176.300 -0.190 0.000 1.136 4032 R CA 1.658 57.630 56.100 -0.214 0.000 0.959 4032 R CB -0.287 29.978 30.300 -0.059 0.000 0.856 4032 R HN 0.418 nan 8.270 nan 0.000 0.437 4033 E N 0.150 120.263 120.200 -0.145 0.000 2.208 4033 E HA -0.085 4.271 4.350 0.010 0.000 0.193 4033 E C 1.743 178.275 176.600 -0.114 0.000 0.988 4033 E CA 0.956 57.296 56.400 -0.100 0.000 0.828 4033 E CB 0.300 29.966 29.700 -0.056 0.000 0.763 4033 E HN 0.380 nan 8.360 nan 0.000 0.478 4034 L N -1.102 120.047 121.223 -0.123 0.000 2.803 4034 L HA 0.078 4.425 4.340 0.010 0.000 0.246 4034 L C 2.085 178.915 176.870 -0.067 0.000 1.100 4034 L CA 0.147 54.972 54.840 -0.025 0.000 0.919 4034 L CB -0.126 42.061 42.059 0.213 0.000 1.285 4034 L HN 0.107 nan 8.230 nan 0.000 0.522 4035 H N 0.182 119.025 119.070 -0.378 0.000 2.489 4035 H HA -0.046 4.516 4.556 0.010 0.000 0.293 4035 H C 1.923 177.113 175.328 -0.230 0.000 1.066 4035 H CA 1.199 57.042 56.048 -0.341 0.000 1.305 4035 H CB -0.039 29.155 29.762 -0.946 0.000 1.386 4035 H HN 0.130 nan 8.280 nan 0.000 0.551 4036 R N 0.657 120.688 120.500 -0.781 0.000 2.300 4036 R HA 0.111 4.457 4.340 0.010 0.000 0.199 4036 R C 0.143 176.278 176.300 -0.275 0.000 0.920 4036 R CA -0.228 55.525 56.100 -0.578 0.000 1.046 4036 R CB 0.340 30.277 30.300 -0.605 0.000 0.984 4036 R HN 0.120 nan 8.270 nan 0.000 0.493 4037 K N 1.797 122.078 120.400 -0.197 0.000 2.380 4037 K HA 0.012 4.338 4.320 0.010 0.000 0.267 4037 K C 0.577 177.117 176.600 -0.100 0.000 0.990 4037 K CA 0.266 56.479 56.287 -0.123 0.000 0.946 4037 K CB 0.753 33.201 32.500 -0.087 0.000 0.937 4037 K HN 0.093 nan 8.250 nan 0.000 0.491 4038 S N 1.382 117.031 115.700 -0.085 0.000 2.600 4038 S HA 0.150 4.626 4.470 0.010 0.000 0.265 4038 S C -1.772 172.784 174.600 -0.073 0.000 1.325 4038 S CA -1.061 57.096 58.200 -0.071 0.000 1.002 4038 S CB 0.885 64.047 63.200 -0.063 0.000 0.921 4038 S HN 0.252 nan 8.310 nan 0.000 0.554 4039 P HA -0.111 nan 4.420 nan 0.000 0.216 4039 P C 1.421 178.650 177.300 -0.119 0.000 1.150 4039 P CA 1.305 64.350 63.100 -0.091 0.000 0.837 4039 P CB 0.047 31.704 31.700 -0.071 0.000 0.786 4040 E N 0.186 120.331 120.200 -0.092 0.000 2.077 4040 E HA -0.219 4.137 4.350 0.010 0.000 0.193 4040 E C 1.745 178.288 176.600 -0.095 0.000 0.989 4040 E CA 1.104 57.449 56.400 -0.091 0.000 0.800 4040 E CB -0.240 29.422 29.700 -0.062 0.000 0.746 4040 E HN 0.277 nan 8.360 nan 0.000 0.452 4041 E N -0.287 119.864 120.200 -0.082 0.000 2.204 4041 E HA -0.163 4.193 4.350 0.010 0.000 0.195 4041 E C 1.882 178.431 176.600 -0.085 0.000 0.990 4041 E CA 0.775 57.131 56.400 -0.073 0.000 0.821 4041 E CB 0.014 29.674 29.700 -0.067 0.000 0.750 4041 E HN 0.334 nan 8.360 nan 0.000 0.477 4042 M N 0.406 119.941 119.600 -0.109 0.000 2.549 4042 M HA -0.074 4.412 4.480 0.010 0.000 0.260 4042 M C 1.396 177.581 176.300 -0.191 0.000 1.076 4042 M CA 1.193 56.421 55.300 -0.120 0.000 1.090 4042 M CB -0.325 32.201 32.600 -0.123 0.000 1.418 4042 M HN -0.031 nan 8.290 nan 0.000 0.486 4043 K N -0.064 120.194 120.400 -0.237 0.000 2.459 4043 K HA 0.026 4.352 4.320 0.010 0.000 0.193 4043 K C 0.301 176.897 176.600 -0.007 0.000 1.030 4043 K CA -0.099 56.022 56.287 -0.276 0.000 1.026 4043 K CB 0.077 32.404 32.500 -0.287 0.000 0.809 4043 K HN 0.297 nan 8.250 nan 0.000 0.504 4044 N N 2.079 120.764 118.700 -0.024 0.000 2.416 4044 N HA -0.039 4.707 4.740 0.010 0.000 0.246 4044 N C -0.086 175.445 175.510 0.035 0.000 1.260 4044 N CA 0.178 53.232 53.050 0.007 0.000 0.897 4044 N CB 0.471 38.946 38.487 -0.021 0.000 1.110 4044 N HN 0.074 nan 8.380 nan 0.000 0.439 4045 R N 1.702 122.224 120.500 0.037 0.000 2.449 4045 R HA 0.119 4.465 4.340 0.010 0.000 0.296 4045 R C -0.323 175.972 176.300 -0.008 0.000 1.047 4045 R CA -0.213 55.908 56.100 0.035 0.000 1.018 4045 R CB 0.124 30.439 30.300 0.025 0.000 0.962 4045 R HN 0.450 nan 8.270 nan 0.000 0.428 4046 L N 5.173 126.368 121.223 -0.046 0.000 2.326 4046 L HA 0.212 4.558 4.340 0.010 0.000 0.278 4046 L C -0.499 176.297 176.870 -0.123 0.000 1.092 4046 L CA -0.628 54.112 54.840 -0.166 0.000 0.810 4046 L CB 0.667 42.496 42.059 -0.383 0.000 1.153 4046 L HN 0.598 nan 8.230 nan 0.000 0.439 4047 Y N 5.071 125.197 120.300 -0.290 0.000 2.464 4047 Y HA 0.434 4.990 4.550 0.010 0.000 0.326 4047 Y C -0.514 175.152 175.900 -0.390 0.000 0.969 4047 Y CA -1.514 56.428 58.100 -0.265 0.000 1.270 4047 Y CB 0.475 38.819 38.460 -0.193 0.000 1.103 4047 Y HN 0.268 nan 8.280 nan 0.000 0.491 4048 I N 7.402 127.652 120.570 -0.533 0.000 2.441 4048 I HA 0.241 4.417 4.170 0.010 0.000 0.287 4048 I C -0.351 175.296 176.117 -0.783 0.000 1.049 4048 I CA -0.730 60.110 61.300 -0.767 0.000 1.381 4048 I CB 0.940 38.517 38.000 -0.705 0.000 1.409 4048 I HN 0.362 nan 8.210 nan 0.000 0.523 4049 V N 7.412 126.804 119.914 -0.869 0.000 2.349 4049 V HA 0.314 4.440 4.120 0.010 0.000 0.284 4049 V C -0.316 175.545 176.094 -0.389 0.000 1.014 4049 V CA -0.636 61.300 62.300 -0.607 0.000 0.826 4049 V CB 1.096 32.475 31.823 -0.740 0.000 1.009 4049 V HN 0.331 nan 8.190 nan 0.000 0.431 4050 F N 2.505 122.407 119.950 -0.080 0.000 2.471 4050 F HA 0.293 4.826 4.527 0.010 0.000 0.365 4050 F C 0.990 176.810 175.800 0.033 0.000 1.095 4050 F CA -0.253 57.751 58.000 0.006 0.000 1.174 4050 F CB 0.538 39.557 39.000 0.032 0.000 1.105 4050 F HN 0.538 nan 8.300 nan 0.000 0.535 4051 E N 2.344 122.666 120.200 0.204 0.000 2.652 4051 E HA 0.213 4.570 4.350 0.010 0.000 0.255 4051 E C 1.203 177.888 176.600 0.140 0.000 0.952 4051 E CA 1.292 57.782 56.400 0.150 0.000 0.947 4051 E CB 0.106 29.883 29.700 0.128 0.000 0.912 4051 E HN 0.834 nan 8.360 nan 0.000 0.489 4052 G N 3.841 112.704 108.800 0.106 0.000 2.189 4052 G HA2 -0.347 3.619 3.960 0.010 0.000 0.267 4052 G HA3 -0.347 3.619 3.960 0.010 0.000 0.267 4052 G C -0.165 174.785 174.900 0.084 0.000 0.975 4052 G CA 0.456 45.606 45.100 0.084 0.000 0.644 4052 G HN 0.569 nan 8.290 nan 0.000 0.537 4053 E N 1.026 121.291 120.200 0.108 0.000 2.014 4053 E HA 0.444 4.800 4.350 0.010 0.000 0.275 4053 E C 0.035 176.686 176.600 0.086 0.000 0.997 4053 E CA -0.186 56.270 56.400 0.093 0.000 0.804 4053 E CB 0.785 30.553 29.700 0.114 0.000 1.090 4053 E HN 0.576 nan 8.360 nan 0.000 0.401 4054 E N 0.496 120.734 120.200 0.064 0.000 2.235 4054 E HA 0.407 4.763 4.350 0.010 0.000 0.265 4054 E C 0.619 177.250 176.600 0.050 0.000 0.940 4054 E CA -0.604 55.832 56.400 0.061 0.000 0.819 4054 E CB 1.743 31.474 29.700 0.053 0.000 1.206 4054 E HN 0.631 nan 8.360 nan 0.000 0.409 4055 G N 1.551 110.381 108.800 0.050 0.000 2.186 4055 G HA2 -0.270 3.696 3.960 0.010 0.000 0.266 4055 G HA3 -0.270 3.696 3.960 0.010 0.000 0.266 4055 G C 0.132 175.056 174.900 0.040 0.000 0.982 4055 G CA 0.238 45.362 45.100 0.041 0.000 0.670 4055 G HN 0.315 nan 8.290 nan 0.000 0.533 4056 Q N 0.665 120.494 119.800 0.047 0.000 2.327 4056 Q HA 0.351 4.697 4.340 0.010 0.000 0.254 4056 Q C 0.405 176.437 176.000 0.054 0.000 0.952 4056 Q CA -0.415 55.414 55.803 0.044 0.000 0.884 4056 Q CB 0.915 29.678 28.738 0.042 0.000 1.224 4056 Q HN 0.485 nan 8.270 nan 0.000 0.422 4057 D N 0.732 121.159 120.400 0.045 0.000 2.563 4057 D HA -0.040 4.606 4.640 0.010 0.000 0.229 4057 D C 0.202 176.543 176.300 0.069 0.000 1.159 4057 D CA 0.702 54.732 54.000 0.049 0.000 0.869 4057 D CB 0.688 41.512 40.800 0.040 0.000 1.203 4057 D HN 0.586 nan 8.370 nan 0.000 0.478 4058 A N 2.826 125.688 122.820 0.071 0.000 2.303 4058 A HA 0.393 4.719 4.320 0.010 0.000 0.217 4058 A C 1.061 178.699 177.584 0.090 0.000 1.205 4058 A CA 0.359 52.451 52.037 0.093 0.000 0.875 4058 A CB -0.064 18.989 19.000 0.088 0.000 0.910 4058 A HN 0.534 nan 8.150 nan 0.000 0.501 4059 G N -1.400 107.443 108.800 0.072 0.000 2.403 4059 G HA2 0.476 4.442 3.960 0.010 0.000 0.259 4059 G HA3 0.476 4.442 3.960 0.010 0.000 0.259 4059 G C 1.040 175.992 174.900 0.087 0.000 1.244 4059 G CA 0.258 45.400 45.100 0.070 0.000 0.849 4059 G HN 1.404 nan 8.290 nan 0.000 0.532 4060 G N 1.083 109.942 108.800 0.098 0.000 2.143 4060 G HA2 -0.277 3.689 3.960 0.010 0.000 0.249 4060 G HA3 -0.277 3.689 3.960 0.010 0.000 0.249 4060 G C 1.183 176.178 174.900 0.159 0.000 0.981 4060 G CA 0.469 45.639 45.100 0.117 0.000 0.665 4060 G HN 0.642 nan 8.290 nan 0.000 0.528 4061 L N -0.886 120.441 121.223 0.173 0.000 2.109 4061 L HA 0.072 4.418 4.340 0.010 0.000 0.207 4061 L C 2.771 179.789 176.870 0.246 0.000 1.086 4061 L CA 1.427 56.417 54.840 0.250 0.000 0.760 4061 L CB -0.363 41.833 42.059 0.229 0.000 0.910 4061 L HN 0.359 nan 8.230 nan 0.000 0.437 4062 L N -0.046 121.280 121.223 0.171 0.000 2.056 4062 L HA -0.154 4.192 4.340 0.010 0.000 0.207 4062 L C 2.747 179.842 176.870 0.374 0.000 1.078 4062 L CA 1.612 56.563 54.840 0.185 0.000 0.749 4062 L CB -0.440 41.710 42.059 0.151 0.000 0.901 4062 L HN 0.070 nan 8.230 nan 0.000 0.433 4063 R N -0.488 120.206 120.500 0.322 0.000 2.091 4063 R HA -0.230 4.116 4.340 0.010 0.000 0.238 4063 R C 2.232 178.714 176.300 0.303 0.000 1.136 4063 R CA 1.759 58.052 56.100 0.321 0.000 0.959 4063 R CB -0.457 29.964 30.300 0.202 0.000 0.856 4063 R HN 0.551 nan 8.270 nan 0.000 0.437 4064 E N 0.011 120.380 120.200 0.281 0.000 2.077 4064 E HA -0.238 4.118 4.350 0.010 0.000 0.193 4064 E C 1.772 178.577 176.600 0.342 0.000 0.989 4064 E CA 1.303 57.861 56.400 0.263 0.000 0.800 4064 E CB -0.186 29.669 29.700 0.258 0.000 0.746 4064 E HN 0.410 nan 8.360 nan 0.000 0.452 4065 W N 0.128 121.542 121.300 0.189 0.000 2.355 4065 W HA -0.231 4.435 4.660 0.009 0.000 0.309 4065 W C 1.618 178.154 176.519 0.029 0.000 1.206 4065 W CA 1.660 59.064 57.345 0.098 0.000 1.284 4065 W CB -0.496 28.900 29.460 -0.106 0.000 1.145 4065 W HN 0.139 nan 8.180 nan 0.000 0.502 4066 Y N 0.076 120.477 120.300 0.169 0.000 2.207 4066 Y HA -0.293 4.263 4.550 0.010 0.000 0.287 4066 Y C 2.728 178.542 175.900 -0.143 0.000 1.156 4066 Y CA 2.202 60.243 58.100 -0.098 0.000 1.182 4066 Y CB -1.202 37.301 38.460 0.072 0.000 0.979 4066 Y HN 0.049 nan 8.280 nan 0.000 0.521 4067 M N -0.648 119.020 119.600 0.113 0.000 2.132 4067 M HA -0.182 4.304 4.480 0.010 0.000 0.263 4067 M C 1.877 178.150 176.300 -0.045 0.000 1.065 4067 M CA 1.775 57.089 55.300 0.024 0.000 1.122 4067 M CB -0.286 32.346 32.600 0.054 0.000 1.365 4067 M HN 0.218 nan 8.290 nan 0.000 0.411 4068 I N -0.347 120.205 120.570 -0.031 0.000 2.202 4068 I HA -0.297 3.879 4.170 0.010 0.000 0.242 4068 I C 2.386 178.425 176.117 -0.130 0.000 1.091 4068 I CA 1.336 62.609 61.300 -0.044 0.000 1.368 4068 I CB -0.447 37.583 38.000 0.049 0.000 1.058 4068 I HN 0.355 nan 8.210 nan 0.000 0.410 4069 I N 0.195 120.608 120.570 -0.263 0.000 2.394 4069 I HA -0.272 3.904 4.170 0.010 0.000 0.251 4069 I C 2.532 178.479 176.117 -0.283 0.000 1.136 4069 I CA 1.124 62.254 61.300 -0.283 0.000 1.425 4069 I CB 0.074 37.748 38.000 -0.544 0.000 1.079 4069 I HN 0.183 nan 8.210 nan 0.000 0.425 4070 S N 0.760 116.293 115.700 -0.279 0.000 2.359 4070 S HA -0.216 4.260 4.470 0.010 0.000 0.224 4070 S C 1.962 176.282 174.600 -0.467 0.000 1.035 4070 S CA 1.337 59.306 58.200 -0.386 0.000 1.018 4070 S CB -0.308 62.704 63.200 -0.313 0.000 0.876 4070 S HN 0.471 nan 8.310 nan 0.000 0.448 4071 R N 0.923 121.252 120.500 -0.285 0.000 2.075 4071 R HA -0.012 4.334 4.340 0.010 0.000 0.232 4071 R C 2.219 178.417 176.300 -0.170 0.000 1.126 4071 R CA 1.089 57.066 56.100 -0.206 0.000 0.963 4071 R CB -0.277 29.963 30.300 -0.100 0.000 0.858 4071 R HN 0.366 nan 8.270 nan 0.000 0.435 4072 E N 0.661 120.757 120.200 -0.173 0.000 2.204 4072 E HA -0.126 4.230 4.350 0.010 0.000 0.194 4072 E C 1.726 178.056 176.600 -0.451 0.000 0.989 4072 E CA 0.999 57.301 56.400 -0.163 0.000 0.824 4072 E CB -0.065 29.576 29.700 -0.099 0.000 0.756 4072 E HN 0.396 nan 8.360 nan 0.000 0.477 4073 M N -0.728 118.554 119.600 -0.530 0.000 2.722 4073 M HA 0.047 4.533 4.480 0.010 0.000 0.238 4073 M C 0.781 177.085 176.300 0.007 0.000 1.098 4073 M CA 0.792 55.794 55.300 -0.496 0.000 1.062 4073 M CB 0.035 32.392 32.600 -0.405 0.000 1.573 4073 M HN 0.009 nan 8.290 nan 0.000 0.531 4074 F N -1.759 118.000 119.950 -0.319 0.000 2.915 4074 F HA 0.190 4.723 4.527 0.010 0.000 0.347 4074 F C 0.778 176.515 175.800 -0.106 0.000 1.104 4074 F CA -0.853 56.952 58.000 -0.325 0.000 1.126 4074 F CB 0.615 39.179 39.000 -0.727 0.000 1.145 4074 F HN 0.010 nan 8.300 nan 0.000 0.541 4075 N N 3.043 121.826 118.700 0.139 0.000 2.468 4075 N HA 0.038 4.784 4.740 0.010 0.000 0.265 4075 N C -1.878 173.660 175.510 0.046 0.000 1.199 4075 N CA -1.144 51.957 53.050 0.084 0.000 0.928 4075 N CB 1.433 39.964 38.487 0.074 0.000 1.059 4075 N HN -0.069 nan 8.380 nan 0.000 0.467 4076 P HA -0.157 nan 4.420 nan 0.000 0.219 4076 P C 1.430 178.668 177.300 -0.102 0.000 1.146 4076 P CA 1.437 64.528 63.100 -0.014 0.000 0.808 4076 P CB -0.028 31.662 31.700 -0.018 0.000 0.779 4077 M N -3.977 115.475 119.600 -0.247 0.000 2.374 4077 M HA -0.110 4.376 4.480 0.010 0.000 0.264 4077 M C 1.333 177.384 176.300 -0.416 0.000 1.067 4077 M CA 1.831 56.909 55.300 -0.369 0.000 1.103 4077 M CB -1.199 31.106 32.600 -0.492 0.000 1.402 4077 M HN -0.089 nan 8.290 nan 0.000 0.444 4078 Y N 1.058 121.329 120.300 -0.048 0.000 2.517 4078 Y HA 0.431 4.987 4.550 0.011 0.000 0.281 4078 Y C 1.718 177.558 175.900 -0.100 0.000 1.125 4078 Y CA 0.351 58.400 58.100 -0.085 0.000 1.283 4078 Y CB -0.095 38.333 38.460 -0.054 0.000 1.042 4078 Y HN 0.476 nan 8.280 nan 0.000 0.547 4079 A N 0.106 122.948 122.820 0.037 0.000 2.860 4079 A HA -0.248 4.078 4.320 0.010 0.000 0.267 4079 A C 0.942 178.532 177.584 0.011 0.000 1.421 4079 A CA 1.295 53.340 52.037 0.013 0.000 0.831 4079 A CB -2.194 16.797 19.000 -0.016 0.000 1.041 4079 A HN 0.582 nan 8.150 nan 0.000 0.623 4080 L N -3.014 118.205 121.223 -0.007 0.000 2.253 4080 L HA 0.348 4.694 4.340 0.010 0.000 0.205 4080 L C 0.851 177.533 176.870 -0.312 0.000 1.078 4080 L CA 0.754 55.448 54.840 -0.243 0.000 0.805 4080 L CB 0.047 41.869 42.059 -0.395 0.000 0.963 4080 L HN 0.458 nan 8.230 nan 0.000 0.459 4081 F N -0.544 119.472 119.950 0.111 0.000 2.603 4081 F HA 0.592 5.125 4.527 0.010 0.000 0.317 4081 F C -0.035 175.788 175.800 0.039 0.000 1.066 4081 F CA -0.963 57.066 58.000 0.048 0.000 0.941 4081 F CB 1.602 40.520 39.000 -0.137 0.000 1.291 4081 F HN -0.154 nan 8.300 nan 0.000 0.472 4082 R N -1.078 119.542 120.500 0.200 0.000 2.739 4082 R HA 0.615 4.961 4.340 0.010 0.000 0.271 4082 R C -1.381 174.735 176.300 -0.307 0.000 1.010 4082 R CA -1.037 55.069 56.100 0.010 0.000 0.897 4082 R CB 1.330 31.610 30.300 -0.034 0.000 1.236 4082 R HN 0.660 nan 8.270 nan 0.000 0.466 4083 T N -0.302 113.880 114.554 -0.620 0.000 2.926 4083 T HA 0.156 4.512 4.350 0.010 0.000 0.307 4083 T C 0.683 175.156 174.700 -0.379 0.000 1.059 4083 T CA -0.336 61.280 62.100 -0.807 0.000 1.122 4083 T CB 0.841 69.316 68.868 -0.655 0.000 0.972 4083 T HN 0.679 nan 8.240 nan 0.000 0.545 4084 S N 2.083 117.598 115.700 -0.309 0.000 2.585 4084 S HA 0.366 4.842 4.470 0.010 0.000 0.273 4084 S C -2.687 171.841 174.600 -0.120 0.000 1.339 4084 S CA -1.324 56.781 58.200 -0.159 0.000 1.028 4084 S CB -0.245 62.891 63.200 -0.107 0.000 0.906 4084 S HN 0.605 nan 8.310 nan 0.000 0.528 4085 P HA 0.261 nan 4.420 nan 0.000 0.264 4085 P C 1.254 178.557 177.300 0.005 0.000 1.193 4085 P CA 1.347 64.438 63.100 -0.016 0.000 0.763 4085 P CB 0.151 31.866 31.700 0.026 0.000 0.810 4086 G N 3.131 111.937 108.800 0.010 0.000 4.039 4086 G HA2 -0.253 3.713 3.960 0.010 0.000 0.220 4086 G HA3 -0.253 3.713 3.960 0.010 0.000 0.220 4086 G C 0.139 175.000 174.900 -0.064 0.000 1.391 4086 G CA 0.189 45.289 45.100 -0.001 0.000 0.920 4086 G HN 0.607 nan 8.290 nan 0.000 0.599 4087 D N 1.739 122.088 120.400 -0.086 0.000 2.411 4087 D HA 0.412 5.058 4.640 0.010 0.000 0.225 4087 D C 1.839 178.052 176.300 -0.145 0.000 1.156 4087 D CA -0.114 53.821 54.000 -0.109 0.000 0.874 4087 D CB 0.615 41.357 40.800 -0.096 0.000 1.034 4087 D HN 0.655 nan 8.370 nan 0.000 0.502 4088 R N 2.309 122.728 120.500 -0.134 0.000 2.316 4088 R HA -0.024 4.322 4.340 0.010 0.000 0.202 4088 R C 0.827 177.047 176.300 -0.135 0.000 1.029 4088 R CA 0.564 56.568 56.100 -0.160 0.000 1.018 4088 R CB -0.038 30.204 30.300 -0.098 0.000 0.888 4088 R HN 0.202 nan 8.270 nan 0.000 0.471 4089 V N 1.129 120.983 119.914 -0.100 0.000 2.407 4089 V HA -0.077 4.049 4.120 0.010 0.000 0.245 4089 V C 1.253 177.382 176.094 0.058 0.000 1.041 4089 V CA 1.690 63.965 62.300 -0.042 0.000 1.040 4089 V CB 0.001 31.736 31.823 -0.145 0.000 0.671 4089 V HN 0.644 nan 8.190 nan 0.000 0.455 4090 T N -1.652 112.880 114.554 -0.037 0.000 2.875 4090 T HA 0.570 4.926 4.350 0.010 0.000 0.284 4090 T C -0.996 173.603 174.700 -0.169 0.000 0.995 4090 T CA -0.383 61.733 62.100 0.026 0.000 1.060 4090 T CB 1.158 70.046 68.868 0.034 0.000 0.967 4090 T HN 0.157 nan 8.240 nan 0.000 0.476 4091 Y N 0.475 120.612 120.300 -0.271 0.000 2.528 4091 Y HA 0.651 5.207 4.550 0.010 0.000 0.335 4091 Y C 0.977 176.750 175.900 -0.212 0.000 1.093 4091 Y CA -0.681 57.178 58.100 -0.402 0.000 1.134 4091 Y CB 2.649 40.471 38.460 -1.064 0.000 1.253 4091 Y HN 0.889 nan 8.280 nan 0.000 0.478 4092 T N 1.791 116.352 114.554 0.013 0.000 2.901 4092 T HA 0.517 4.873 4.350 0.010 0.000 0.293 4092 T C -0.693 174.084 174.700 0.128 0.000 1.084 4092 T CA -0.683 61.440 62.100 0.039 0.000 1.008 4092 T CB 0.668 69.534 68.868 -0.003 0.000 1.170 4092 T HN 0.476 nan 8.240 nan 0.000 0.509 4093 I N 3.797 124.376 120.570 0.015 0.000 2.752 4093 I HA 0.056 4.233 4.170 0.010 0.000 0.289 4093 I C 0.752 176.822 176.117 -0.080 0.000 1.197 4093 I CA -0.051 61.157 61.300 -0.153 0.000 1.432 4093 I CB 0.332 38.207 38.000 -0.209 0.000 1.359 4093 I HN 0.563 nan 8.210 nan 0.000 0.571 4094 N N 9.057 127.726 118.700 -0.051 0.000 2.420 4094 N HA 0.128 4.874 4.740 0.010 0.000 0.262 4094 N C -1.835 173.674 175.510 -0.002 0.000 1.144 4094 N CA -1.692 51.357 53.050 -0.001 0.000 0.952 4094 N CB 0.968 39.476 38.487 0.035 0.000 1.081 4094 N HN 0.220 nan 8.380 nan 0.000 0.480 4095 P HA -0.010 nan 4.420 nan 0.000 0.225 4095 P C -0.306 176.977 177.300 -0.027 0.000 1.148 4095 P CA 0.849 63.925 63.100 -0.041 0.000 0.779 4095 P CB 0.343 32.014 31.700 -0.048 0.000 0.780 4103 H N 0.877 120.034 119.070 0.145 0.000 2.333 4103 H HA 0.353 4.915 4.556 0.010 0.000 0.302 4103 H C 1.963 177.500 175.328 0.349 0.000 1.075 4103 H CA 1.345 57.499 56.048 0.176 0.000 1.348 4103 H CB -0.278 29.599 29.762 0.192 0.000 1.393 4103 H HN 0.203 nan 8.280 nan 0.000 0.509 4104 L N 0.397 121.421 121.223 -0.332 0.000 2.079 4104 L HA -0.195 4.151 4.340 0.010 0.000 0.210 4104 L C 2.851 179.827 176.870 0.176 0.000 1.081 4104 L CA 1.320 56.142 54.840 -0.029 0.000 0.752 4104 L CB -0.579 41.373 42.059 -0.178 0.000 0.896 4104 L HN 0.437 nan 8.230 nan 0.000 0.433 4105 S N -0.818 114.967 115.700 0.142 0.000 2.368 4105 S HA -0.208 4.268 4.470 0.010 0.000 0.225 4105 S C 2.027 176.741 174.600 0.190 0.000 1.030 4105 S CA 1.200 59.504 58.200 0.174 0.000 0.999 4105 S CB -0.283 63.002 63.200 0.140 0.000 0.844 4105 S HN 0.369 nan 8.310 nan 0.000 0.459 4106 Y N 0.376 120.695 120.300 0.032 0.000 2.242 4106 Y HA 0.011 4.567 4.550 0.010 0.000 0.291 4106 Y C 1.977 177.992 175.900 0.192 0.000 1.137 4106 Y CA 1.559 59.657 58.100 -0.005 0.000 1.181 4106 Y CB -0.554 37.777 38.460 -0.215 0.000 0.989 4106 Y HN 0.307 nan 8.280 nan 0.000 0.527 4107 F N 0.199 120.378 119.950 0.381 0.000 2.126 4107 F HA -0.250 4.283 4.527 0.010 0.000 0.299 4107 F C 2.486 178.496 175.800 0.349 0.000 1.096 4107 F CA 1.690 59.920 58.000 0.384 0.000 1.255 4107 F CB -0.302 38.856 39.000 0.263 0.000 0.997 4107 F HN -0.092 nan 8.300 nan 0.000 0.479 4108 K N -0.081 120.575 120.400 0.426 0.000 2.057 4108 K HA -0.240 4.086 4.320 0.010 0.000 0.207 4108 K C 2.153 178.895 176.600 0.237 0.000 1.049 4108 K CA 1.560 58.006 56.287 0.265 0.000 0.931 4108 K CB -0.457 32.175 32.500 0.221 0.000 0.714 4108 K HN 0.246 nan 8.250 nan 0.000 0.440 4109 F N 1.101 121.158 119.950 0.177 0.000 2.171 4109 F HA -0.157 4.376 4.527 0.011 0.000 0.300 4109 F C 1.698 177.620 175.800 0.203 0.000 1.090 4109 F CA 0.997 59.090 58.000 0.155 0.000 1.293 4109 F CB -0.194 38.898 39.000 0.154 0.000 1.013 4109 F HN -0.205 nan 8.300 nan 0.000 0.486 4110 V N 0.326 120.373 119.914 0.222 0.000 2.427 4110 V HA -0.191 3.935 4.120 0.010 0.000 0.248 4110 V C 2.758 178.885 176.094 0.056 0.000 1.051 4110 V CA 1.844 64.296 62.300 0.253 0.000 1.048 4110 V CB -1.538 30.703 31.823 0.696 0.000 0.666 4110 V HN 0.525 nan 8.190 nan 0.000 0.456 4111 G N -0.058 108.605 108.800 -0.228 0.000 2.418 4111 G HA2 -0.321 3.645 3.960 0.010 0.000 0.217 4111 G HA3 -0.321 3.645 3.960 0.010 0.000 0.217 4111 G C 1.671 176.339 174.900 -0.387 0.000 1.158 4111 G CA 1.026 45.556 45.100 -0.950 0.000 0.771 4111 G HN 0.471 nan 8.290 nan 0.000 0.545 4112 R N -0.036 120.315 120.500 -0.248 0.000 2.083 4112 R HA -0.086 4.261 4.340 0.010 0.000 0.237 4112 R C 2.403 178.584 176.300 -0.197 0.000 1.137 4112 R CA 1.514 57.494 56.100 -0.201 0.000 0.951 4112 R CB -0.300 29.929 30.300 -0.118 0.000 0.851 4112 R HN 0.288 nan 8.270 nan 0.000 0.434 4113 I N 0.743 121.150 120.570 -0.272 0.000 2.226 4113 I HA -0.202 3.975 4.170 0.010 0.000 0.245 4113 I C 2.427 178.560 176.117 0.027 0.000 1.100 4113 I CA 0.998 62.211 61.300 -0.145 0.000 1.374 4113 I CB -0.909 36.927 38.000 -0.273 0.000 1.057 4113 I HN 0.116 nan 8.210 nan 0.000 0.413 4114 V N 1.427 121.375 119.914 0.057 0.000 2.295 4114 V HA -0.255 3.871 4.120 0.010 0.000 0.246 4114 V C 2.832 178.986 176.094 0.101 0.000 1.049 4114 V CA 1.873 64.290 62.300 0.195 0.000 1.024 4114 V CB -1.182 30.913 31.823 0.453 0.000 0.648 4114 V HN 0.455 nan 8.190 nan 0.000 0.447 4115 A N 0.095 122.821 122.820 -0.157 0.000 1.933 4115 A HA -0.247 4.079 4.320 0.010 0.000 0.218 4115 A C 2.213 179.719 177.584 -0.131 0.000 1.175 4115 A CA 2.206 53.940 52.037 -0.504 0.000 0.628 4115 A CB -0.478 17.974 19.000 -0.912 0.000 0.814 4115 A HN 0.478 nan 8.150 nan 0.000 0.444 4116 K N 0.490 120.874 120.400 -0.026 0.000 2.057 4116 K HA 0.026 4.352 4.320 0.010 0.000 0.207 4116 K C 1.953 178.689 176.600 0.228 0.000 1.049 4116 K CA 1.710 58.074 56.287 0.128 0.000 0.931 4116 K CB -0.674 31.931 32.500 0.174 0.000 0.714 4116 K HN 0.299 nan 8.250 nan 0.000 0.440 4117 A N 0.245 123.150 122.820 0.142 0.000 1.865 4117 A HA -0.120 4.206 4.320 0.010 0.000 0.217 4117 A C 2.354 179.902 177.584 -0.059 0.000 1.191 4117 A CA 2.022 53.966 52.037 -0.155 0.000 0.623 4117 A CB -0.956 17.899 19.000 -0.242 0.000 0.826 4117 A HN 0.119 nan 8.150 nan 0.000 0.444 4118 V N -1.401 118.543 119.914 0.051 0.000 2.287 4118 V HA -0.307 3.819 4.120 0.010 0.000 0.248 4118 V C 2.381 178.589 176.094 0.190 0.000 1.053 4118 V CA 2.234 64.614 62.300 0.132 0.000 1.027 4118 V CB -1.090 30.861 31.823 0.214 0.000 0.646 4118 V HN 0.705 nan 8.190 nan 0.000 0.447 4119 Y N 1.362 121.696 120.300 0.058 0.000 2.165 4119 Y HA -0.241 4.315 4.550 0.010 0.000 0.286 4119 Y C 2.193 178.113 175.900 0.034 0.000 1.155 4119 Y CA 2.064 60.182 58.100 0.030 0.000 1.164 4119 Y CB -0.180 38.272 38.460 -0.013 0.000 0.978 4119 Y HN 0.301 nan 8.280 nan 0.000 0.513 4120 D N -0.080 120.403 120.400 0.138 0.000 2.363 4120 D HA -0.085 4.561 4.640 0.010 0.000 0.220 4120 D C 0.434 176.726 176.300 -0.013 0.000 0.994 4120 D CA 1.006 55.051 54.000 0.074 0.000 0.890 4120 D CB -0.493 40.433 40.800 0.211 0.000 0.906 4120 D HN 0.373 nan 8.370 nan 0.000 0.530 4121 N N 0.815 119.499 118.700 -0.026 0.000 2.756 4121 N HA -0.193 4.553 4.740 0.010 0.000 0.248 4121 N C -1.177 174.301 175.510 -0.053 0.000 1.062 4121 N CA 0.437 53.472 53.050 -0.024 0.000 0.696 4121 N CB -0.560 37.913 38.487 -0.024 0.000 0.946 4121 N HN 0.056 nan 8.380 nan 0.000 0.548 4122 R N 0.048 120.463 120.500 -0.141 0.000 2.803 4122 R HA 0.548 4.894 4.340 0.010 0.000 0.276 4122 R C 0.076 176.204 176.300 -0.287 0.000 0.978 4122 R CA -0.839 55.119 56.100 -0.236 0.000 0.939 4122 R CB 1.038 31.066 30.300 -0.454 0.000 1.179 4122 R HN 0.174 nan 8.270 nan 0.000 0.472 4123 L N 2.551 123.652 121.223 -0.202 0.000 2.343 4123 L HA 0.535 4.881 4.340 0.010 0.000 0.275 4123 L C -0.018 176.741 176.870 -0.185 0.000 1.056 4123 L CA -0.722 54.024 54.840 -0.157 0.000 0.804 4123 L CB 0.777 42.785 42.059 -0.084 0.000 1.203 4123 L HN 0.235 nan 8.230 nan 0.000 0.440 4124 L N 1.895 123.016 121.223 -0.171 0.000 2.322 4124 L HA 0.324 4.670 4.340 0.010 0.000 0.281 4124 L C -0.237 176.477 176.870 -0.259 0.000 1.014 4124 L CA -0.700 54.029 54.840 -0.186 0.000 0.815 4124 L CB 1.828 43.789 42.059 -0.163 0.000 1.247 4124 L HN 0.535 nan 8.230 nan 0.000 0.421 4125 E N 1.949 121.994 120.200 -0.258 0.000 2.346 4125 E HA 0.169 4.525 4.350 0.010 0.000 0.317 4125 E C -1.149 175.202 176.600 -0.415 0.000 1.404 4125 E CA 0.090 56.337 56.400 -0.256 0.000 1.534 4125 E CB -0.070 29.565 29.700 -0.109 0.000 1.309 4125 E HN 0.342 nan 8.360 nan 0.000 0.499 4126 C N 1.203 120.124 119.300 -0.632 0.000 2.397 4126 C HA 0.426 4.892 4.460 0.010 0.000 0.325 4126 C C -0.767 173.747 174.990 -0.792 0.000 1.201 4126 C CA -1.048 57.479 59.018 -0.819 0.000 1.377 4126 C CB -0.152 26.925 27.740 -1.104 0.000 2.038 4126 C HN 0.469 nan 8.230 nan 0.000 0.457 4127 Y N 2.030 122.170 120.300 -0.266 0.000 2.352 4127 Y HA 0.702 5.258 4.550 0.010 0.000 0.339 4127 Y C 0.120 175.827 175.900 -0.322 0.000 0.992 4127 Y CA -0.438 57.596 58.100 -0.111 0.000 1.100 4127 Y CB 0.846 39.340 38.460 0.057 0.000 1.192 4127 Y HN 0.563 nan 8.280 nan 0.000 0.458 4128 F N -0.277 119.757 119.950 0.141 0.000 2.585 4128 F HA 0.580 5.113 4.527 0.010 0.000 0.350 4128 F C 0.612 176.327 175.800 -0.142 0.000 1.074 4128 F CA -1.153 56.712 58.000 -0.225 0.000 1.032 4128 F CB 1.062 39.683 39.000 -0.633 0.000 1.330 4128 F HN 0.376 nan 8.300 nan 0.000 0.495 4129 T N -1.729 112.867 114.554 0.070 0.000 2.849 4129 T HA 0.287 4.643 4.350 0.010 0.000 0.284 4129 T C 1.208 175.995 174.700 0.144 0.000 1.004 4129 T CA -0.777 61.386 62.100 0.106 0.000 1.021 4129 T CB 1.066 69.983 68.868 0.082 0.000 1.013 4129 T HN 0.385 nan 8.240 nan 0.000 0.527 4130 R N 1.037 121.657 120.500 0.200 0.000 2.083 4130 R HA -0.101 4.245 4.340 0.010 0.000 0.237 4130 R C 2.932 179.327 176.300 0.157 0.000 1.137 4130 R CA 1.911 58.156 56.100 0.242 0.000 0.951 4130 R CB -1.587 28.795 30.300 0.136 0.000 0.851 4130 R HN 0.932 nan 8.270 nan 0.000 0.434 4131 S N -0.146 115.603 115.700 0.083 0.000 2.402 4131 S HA -0.122 4.354 4.470 0.010 0.000 0.229 4131 S C 2.009 176.603 174.600 -0.011 0.000 1.021 4131 S CA 0.815 59.008 58.200 -0.012 0.000 0.974 4131 S CB -0.578 62.620 63.200 -0.004 0.000 0.800 4131 S HN 0.335 nan 8.310 nan 0.000 0.484 4132 F N 1.544 121.455 119.950 -0.064 0.000 2.102 4132 F HA -0.046 4.487 4.527 0.011 0.000 0.298 4132 F C 2.097 177.789 175.800 -0.179 0.000 1.105 4132 F CA 1.414 59.337 58.000 -0.129 0.000 1.239 4132 F CB -0.374 38.465 39.000 -0.269 0.000 0.991 4132 F HN 0.103 nan 8.300 nan 0.000 0.474 4133 Y N 0.885 121.238 120.300 0.088 0.000 2.165 4133 Y HA -0.236 4.320 4.550 0.011 0.000 0.286 4133 Y C 2.377 178.226 175.900 -0.085 0.000 1.155 4133 Y CA 1.591 59.677 58.100 -0.022 0.000 1.164 4133 Y CB -1.046 37.461 38.460 0.077 0.000 0.978 4133 Y HN -0.000 nan 8.280 nan 0.000 0.513 4134 K N -0.858 119.583 120.400 0.069 0.000 2.063 4134 K HA -0.228 4.099 4.320 0.010 0.000 0.208 4134 K C 1.862 178.412 176.600 -0.084 0.000 1.048 4134 K CA 1.630 57.900 56.287 -0.030 0.000 0.928 4134 K CB -0.400 32.042 32.500 -0.097 0.000 0.713 4134 K HN 0.436 nan 8.250 nan 0.000 0.442 4135 H N 0.904 119.910 119.070 -0.107 0.000 2.319 4135 H HA -0.106 4.456 4.556 0.010 0.000 0.299 4135 H C 2.247 177.489 175.328 -0.143 0.000 1.092 4135 H CA 1.428 57.385 56.048 -0.153 0.000 1.302 4135 H CB -0.359 29.230 29.762 -0.289 0.000 1.373 4135 H HN 0.176 nan 8.280 nan 0.000 0.497 4136 I N 0.668 121.144 120.570 -0.157 0.000 2.208 4136 I HA -0.267 3.909 4.170 0.010 0.000 0.245 4136 I C 2.187 178.343 176.117 0.064 0.000 1.097 4136 I CA 1.013 62.191 61.300 -0.203 0.000 1.363 4136 I CB -0.287 37.463 38.000 -0.417 0.000 1.051 4136 I HN 0.117 nan 8.210 nan 0.000 0.413 4137 L N 0.690 121.957 121.223 0.073 0.000 2.551 4137 L HA 0.034 4.381 4.340 0.010 0.000 0.228 4137 L C 1.543 178.485 176.870 0.119 0.000 1.153 4137 L CA 0.611 55.527 54.840 0.126 0.000 0.851 4137 L CB -0.815 41.310 42.059 0.109 0.000 0.959 4137 L HN 0.544 nan 8.230 nan 0.000 0.451 4138 G N 0.783 109.660 108.800 0.127 0.000 2.198 4138 G HA2 -0.297 3.669 3.960 0.010 0.000 0.260 4138 G HA3 -0.297 3.669 3.960 0.010 0.000 0.260 4138 G C 0.153 175.092 174.900 0.066 0.000 1.025 4138 G CA 0.154 45.317 45.100 0.104 0.000 0.769 4138 G HN 0.397 nan 8.290 nan 0.000 0.507 4139 K N 0.505 120.930 120.400 0.042 0.000 2.110 4139 K HA 0.526 4.852 4.320 0.010 0.000 0.263 4139 K C 0.472 177.069 176.600 -0.004 0.000 0.975 4139 K CA -0.490 55.808 56.287 0.019 0.000 0.895 4139 K CB 1.195 33.703 32.500 0.015 0.000 1.060 4139 K HN 0.129 nan 8.250 nan 0.000 0.448 4140 S N 1.534 117.242 115.700 0.013 0.000 2.525 4140 S HA 0.031 4.507 4.470 0.010 0.000 0.285 4140 S C 0.159 174.757 174.600 -0.004 0.000 1.283 4140 S CA -0.672 57.541 58.200 0.022 0.000 1.072 4140 S CB 0.305 63.531 63.200 0.043 0.000 0.867 4140 S HN 0.257 nan 8.310 nan 0.000 0.492 4141 V N 5.672 125.572 119.914 -0.023 0.000 2.530 4141 V HA 0.294 4.420 4.120 0.010 0.000 0.282 4141 V C 0.647 176.783 176.094 0.070 0.000 1.048 4141 V CA -0.280 62.002 62.300 -0.031 0.000 0.997 4141 V CB 0.284 32.057 31.823 -0.083 0.000 0.987 4141 V HN 0.715 nan 8.190 nan 0.000 0.477 4142 R N 2.904 123.442 120.500 0.064 0.000 2.873 4142 R HA 0.293 4.639 4.340 0.010 0.000 0.264 4142 R C 0.822 177.205 176.300 0.139 0.000 1.026 4142 R CA -0.720 55.452 56.100 0.120 0.000 1.002 4142 R CB 0.815 31.141 30.300 0.042 0.000 1.174 4142 R HN 0.792 nan 8.270 nan 0.000 0.488 4143 Y N -0.301 120.113 120.300 0.191 0.000 2.333 4143 Y HA -0.189 4.367 4.550 0.010 0.000 0.290 4143 Y C 1.662 177.729 175.900 0.279 0.000 1.144 4143 Y CA 1.741 59.985 58.100 0.240 0.000 1.228 4143 Y CB -0.855 37.757 38.460 0.254 0.000 0.985 4143 Y HN 0.604 nan 8.280 nan 0.000 0.542 4144 T N -2.807 111.387 114.554 -0.600 0.000 2.977 4144 T HA -0.157 4.199 4.350 0.010 0.000 0.271 4144 T C 1.158 175.700 174.700 -0.263 0.000 1.105 4144 T CA 1.186 63.013 62.100 -0.456 0.000 1.116 4144 T CB -0.447 68.157 68.868 -0.440 0.000 0.878 4144 T HN 0.411 nan 8.240 nan 0.000 0.509 4145 D N 0.596 120.928 120.400 -0.113 0.000 2.348 4145 D HA 0.068 4.714 4.640 0.010 0.000 0.216 4145 D C 1.649 177.937 176.300 -0.021 0.000 0.970 4145 D CA 0.415 54.380 54.000 -0.058 0.000 0.889 4145 D CB -0.185 40.607 40.800 -0.014 0.000 0.912 4145 D HN 0.359 nan 8.370 nan 0.000 0.524 4146 M N 0.758 120.384 119.600 0.043 0.000 2.394 4146 M HA -0.083 4.403 4.480 0.010 0.000 0.264 4146 M C 1.722 178.061 176.300 0.065 0.000 1.073 4146 M CA 1.136 56.531 55.300 0.159 0.000 1.111 4146 M CB -0.038 32.810 32.600 0.414 0.000 1.401 4146 M HN -0.144 nan 8.290 nan 0.000 0.448 4147 E N -1.300 118.742 120.200 -0.263 0.000 2.209 4147 E HA -0.197 4.159 4.350 0.010 0.000 0.196 4147 E C 1.807 178.355 176.600 -0.087 0.000 0.993 4147 E CA 1.410 57.605 56.400 -0.342 0.000 0.819 4147 E CB -0.033 29.205 29.700 -0.771 0.000 0.745 4147 E HN 0.576 nan 8.360 nan 0.000 0.477 4148 S N -0.409 115.255 115.700 -0.060 0.000 2.404 4148 S HA -0.059 4.417 4.470 0.010 0.000 0.223 4148 S C 1.699 176.311 174.600 0.020 0.000 1.040 4148 S CA 0.391 58.585 58.200 -0.010 0.000 0.957 4148 S CB -0.048 63.161 63.200 0.016 0.000 0.826 4148 S HN 0.227 nan 8.310 nan 0.000 0.491 4149 E N 0.839 121.062 120.200 0.037 0.000 2.077 4149 E HA -0.040 4.316 4.350 0.010 0.000 0.193 4149 E C 0.056 176.684 176.600 0.047 0.000 0.989 4149 E CA 0.993 57.417 56.400 0.039 0.000 0.800 4149 E CB -0.101 29.626 29.700 0.045 0.000 0.746 4149 E HN 0.488 nan 8.360 nan 0.000 0.452 4150 D N -1.618 118.844 120.400 0.103 0.000 2.362 4150 D HA -0.035 4.611 4.640 0.010 0.000 0.228 4150 D C -0.042 176.405 176.300 0.246 0.000 1.326 4150 D CA -0.286 53.809 54.000 0.157 0.000 0.927 4150 D CB -0.386 40.495 40.800 0.133 0.000 1.501 4150 D HN -0.088 nan 8.370 nan 0.000 0.519 4151 Y N 3.880 124.211 120.300 0.051 0.000 2.128 4151 Y HA -0.222 4.334 4.550 0.010 0.000 0.284 4151 Y C 1.833 177.791 175.900 0.096 0.000 1.154 4151 Y CA 1.935 60.047 58.100 0.019 0.000 1.149 4151 Y CB 0.015 38.356 38.460 -0.198 0.000 0.976 4151 Y HN 0.493 nan 8.280 nan 0.000 0.505 4152 H N -1.353 117.753 119.070 0.060 0.000 2.387 4152 H HA -0.185 4.377 4.556 0.010 0.000 0.299 4152 H C 2.122 177.463 175.328 0.022 0.000 1.090 4152 H CA 1.836 57.863 56.048 -0.036 0.000 1.332 4152 H CB -0.798 29.022 29.762 0.096 0.000 1.386 4152 H HN 0.496 nan 8.280 nan 0.000 0.516 4153 F N 0.716 120.743 119.950 0.129 0.000 2.146 4153 F HA -0.204 4.329 4.527 0.010 0.000 0.298 4153 F C 2.652 178.520 175.800 0.114 0.000 1.096 4153 F CA 0.943 59.013 58.000 0.117 0.000 1.275 4153 F CB -0.518 38.565 39.000 0.138 0.000 1.008 4153 F HN 0.028 nan 8.300 nan 0.000 0.480 4154 Y N 0.853 121.240 120.300 0.145 0.000 2.165 4154 Y HA -0.291 4.265 4.550 0.010 0.000 0.286 4154 Y C 2.513 178.380 175.900 -0.055 0.000 1.155 4154 Y CA 1.906 60.051 58.100 0.075 0.000 1.164 4154 Y CB -0.429 38.082 38.460 0.084 0.000 0.978 4154 Y HN 0.058 nan 8.280 nan 0.000 0.513 4155 Q N -0.046 119.611 119.800 -0.239 0.000 2.135 4155 Q HA -0.175 4.171 4.340 0.010 0.000 0.204 4155 Q C 2.458 178.321 176.000 -0.228 0.000 0.981 4155 Q CA 1.494 57.122 55.803 -0.292 0.000 0.856 4155 Q CB -0.867 27.691 28.738 -0.300 0.000 0.902 4155 Q HN 0.694 nan 8.270 nan 0.000 0.425 4156 G N 0.687 109.343 108.800 -0.241 0.000 2.402 4156 G HA2 -0.178 3.788 3.960 0.010 0.000 0.216 4156 G HA3 -0.178 3.788 3.960 0.010 0.000 0.216 4156 G C 1.576 176.316 174.900 -0.267 0.000 1.162 4156 G CA 0.396 45.341 45.100 -0.257 0.000 0.777 4156 G HN 0.253 nan 8.290 nan 0.000 0.539 4157 L N 0.325 121.343 121.223 -0.341 0.000 2.083 4157 L HA -0.090 4.256 4.340 0.010 0.000 0.209 4157 L C 2.958 179.680 176.870 -0.247 0.000 1.083 4157 L CA 0.405 55.093 54.840 -0.253 0.000 0.752 4157 L CB -0.549 41.441 42.059 -0.115 0.000 0.899 4157 L HN 0.079 nan 8.230 nan 0.000 0.433 4158 V N -0.972 118.747 119.914 -0.325 0.000 2.343 4158 V HA -0.334 3.793 4.120 0.010 0.000 0.247 4158 V C 2.239 178.246 176.094 -0.145 0.000 1.051 4158 V CA 1.871 64.014 62.300 -0.263 0.000 1.036 4158 V CB -0.617 31.006 31.823 -0.333 0.000 0.654 4158 V HN 0.385 nan 8.190 nan 0.000 0.451 4159 Y N 0.276 120.446 120.300 -0.216 0.000 2.145 4159 Y HA -0.253 4.303 4.550 0.010 0.000 0.286 4159 Y C 2.279 178.073 175.900 -0.176 0.000 1.145 4159 Y CA 1.945 59.945 58.100 -0.166 0.000 1.148 4159 Y CB -0.159 38.210 38.460 -0.151 0.000 0.981 4159 Y HN 0.233 nan 8.280 nan 0.000 0.507 4160 L N 0.221 121.418 121.223 -0.044 0.000 2.042 4160 L HA -0.219 4.127 4.340 0.010 0.000 0.210 4160 L C 1.976 178.725 176.870 -0.201 0.000 1.076 4160 L CA 1.840 56.591 54.840 -0.149 0.000 0.749 4160 L CB -0.888 41.015 42.059 -0.261 0.000 0.893 4160 L HN 0.353 nan 8.230 nan 0.000 0.432 4161 L N -1.026 120.076 121.223 -0.201 0.000 2.156 4161 L HA -0.107 4.239 4.340 0.010 0.000 0.208 4161 L C 2.324 179.092 176.870 -0.171 0.000 1.095 4161 L CA 1.026 55.754 54.840 -0.187 0.000 0.770 4161 L CB -0.378 41.553 42.059 -0.212 0.000 0.914 4161 L HN 0.357 nan 8.230 nan 0.000 0.439 4162 E N -0.554 119.524 120.200 -0.203 0.000 2.385 4162 E HA 0.042 4.398 4.350 0.010 0.000 0.194 4162 E C 0.039 176.492 176.600 -0.244 0.000 1.013 4162 E CA 0.055 56.337 56.400 -0.196 0.000 0.866 4162 E CB 0.387 29.974 29.700 -0.188 0.000 0.832 4162 E HN 0.432 nan 8.360 nan 0.000 0.500 4163 N N 1.323 119.829 118.700 -0.323 0.000 2.314 4163 N HA 0.059 4.805 4.740 0.010 0.000 0.304 4163 N C -1.096 174.279 175.510 -0.226 0.000 1.073 4163 N CA -0.482 52.371 53.050 -0.329 0.000 0.822 4163 N CB 1.697 39.844 38.487 -0.567 0.000 1.280 4163 N HN -0.066 nan 8.380 nan 0.000 0.489 4164 D N 1.340 121.636 120.400 -0.172 0.000 2.382 4164 D HA -0.010 4.637 4.640 0.010 0.000 0.259 4164 D C 1.536 177.753 176.300 -0.138 0.000 1.224 4164 D CA -0.267 53.654 54.000 -0.131 0.000 0.894 4164 D CB 0.955 41.694 40.800 -0.103 0.000 1.127 4164 D HN 0.363 nan 8.370 nan 0.000 0.487 4165 V N 2.177 122.011 119.914 -0.133 0.000 2.720 4165 V HA -0.160 3.966 4.120 0.010 0.000 0.256 4165 V C 1.631 177.631 176.094 -0.156 0.000 1.082 4165 V CA 1.578 63.785 62.300 -0.155 0.000 1.101 4165 V CB -0.546 31.196 31.823 -0.136 0.000 0.693 4165 V HN 0.403 nan 8.190 nan 0.000 0.479 4166 S N 1.043 116.676 115.700 -0.112 0.000 2.561 4166 S HA -0.030 4.446 4.470 0.010 0.000 0.225 4166 S C 1.698 176.242 174.600 -0.094 0.000 0.977 4166 S CA 1.276 59.421 58.200 -0.092 0.000 0.926 4166 S CB -0.352 62.811 63.200 -0.063 0.000 0.769 4166 S HN 0.974 nan 8.310 nan 0.000 0.533 4167 T N -1.152 113.336 114.554 -0.109 0.000 3.092 4167 T HA 0.351 4.707 4.350 0.010 0.000 0.258 4167 T C 1.328 175.962 174.700 -0.111 0.000 1.031 4167 T CA -0.168 61.878 62.100 -0.090 0.000 0.925 4167 T CB -0.342 68.483 68.868 -0.072 0.000 1.036 4167 T HN 0.203 nan 8.240 nan 0.000 0.544 4168 L N 0.898 121.998 121.223 -0.205 0.000 2.093 4168 L HA 0.262 4.608 4.340 0.010 0.000 0.208 4168 L C 2.433 179.171 176.870 -0.220 0.000 1.085 4168 L CA 1.365 56.006 54.840 -0.331 0.000 0.755 4168 L CB -0.659 40.916 42.059 -0.807 0.000 0.904 4168 L HN 0.620 nan 8.230 nan 0.000 0.435 4169 G N -1.293 107.419 108.800 -0.146 0.000 2.176 4169 G HA2 -0.292 3.674 3.960 0.010 0.000 0.232 4169 G HA3 -0.292 3.674 3.960 0.010 0.000 0.232 4169 G C 0.051 175.031 174.900 0.133 0.000 0.986 4169 G CA 0.135 45.250 45.100 0.025 0.000 0.643 4169 G HN 0.449 nan 8.290 nan 0.000 0.522 4170 Y N -1.456 118.841 120.300 -0.005 0.000 2.764 4170 Y HA 0.769 5.325 4.550 0.010 0.000 0.331 4170 Y C -1.240 174.657 175.900 -0.004 0.000 1.280 4170 Y CA -1.645 56.452 58.100 -0.005 0.000 1.065 4170 Y CB 0.518 38.973 38.460 -0.007 0.000 1.319 4170 Y HN -0.016 nan 8.280 nan 0.000 0.453 4171 D N 1.206 121.713 120.400 0.178 0.000 2.350 4171 D HA 0.458 5.104 4.640 0.010 0.000 0.245 4171 D C -1.194 175.206 176.300 0.166 0.000 1.036 4171 D CA -0.310 53.736 54.000 0.077 0.000 0.848 4171 D CB 2.983 43.818 40.800 0.057 0.000 1.307 4171 D HN 0.422 nan 8.370 nan 0.000 0.469 4172 L N 1.153 122.432 121.223 0.093 0.000 2.379 4172 L HA 0.406 4.752 4.340 0.010 0.000 0.269 4172 L C 0.844 177.795 176.870 0.135 0.000 1.084 4172 L CA -0.035 54.881 54.840 0.126 0.000 0.802 4172 L CB 1.483 43.568 42.059 0.044 0.000 1.175 4172 L HN 0.467 nan 8.230 nan 0.000 0.448 4173 T N -0.949 113.713 114.554 0.179 0.000 2.916 4173 T HA 0.614 4.971 4.350 0.010 0.000 0.292 4173 T C -0.847 173.995 174.700 0.237 0.000 1.055 4173 T CA -0.594 61.594 62.100 0.147 0.000 1.009 4173 T CB 1.398 70.311 68.868 0.074 0.000 1.118 4173 T HN 0.259 nan 8.240 nan 0.000 0.497 4174 F N 1.725 121.619 119.950 -0.094 0.000 2.467 4174 F HA 0.629 5.162 4.527 0.010 0.000 0.336 4174 F C 0.132 175.812 175.800 -0.200 0.000 1.123 4174 F CA -0.660 57.198 58.000 -0.237 0.000 0.964 4174 F CB 1.823 40.456 39.000 -0.612 0.000 1.136 4174 F HN 0.740 nan 8.300 nan 0.000 0.447 4175 S N 3.723 118.984 115.700 -0.731 0.000 2.474 4175 S HA 0.163 4.639 4.470 0.010 0.000 0.276 4175 S C 1.226 175.373 174.600 -0.755 0.000 1.227 4175 S CA 0.099 57.974 58.200 -0.542 0.000 1.050 4175 S CB 0.642 63.618 63.200 -0.373 0.000 0.939 4175 S HN 0.901 nan 8.310 nan 0.000 0.490 4176 T N 2.325 116.697 114.554 -0.304 0.000 2.951 4176 T HA 0.002 4.358 4.350 0.010 0.000 0.268 4176 T C 1.231 175.863 174.700 -0.113 0.000 1.073 4176 T CA 0.957 63.002 62.100 -0.092 0.000 1.134 4176 T CB -0.344 68.575 68.868 0.085 0.000 0.884 4176 T HN 0.748 nan 8.240 nan 0.000 0.479 4177 E N 0.972 121.090 120.200 -0.137 0.000 2.072 4177 E HA -0.025 4.331 4.350 0.010 0.000 0.190 4177 E C 2.259 178.784 176.600 -0.126 0.000 0.982 4177 E CA 1.485 57.825 56.400 -0.100 0.000 0.803 4177 E CB -0.014 29.639 29.700 -0.079 0.000 0.755 4177 E HN 0.627 nan 8.360 nan 0.000 0.453 4178 V N -2.794 117.001 119.914 -0.198 0.000 3.605 4178 V HA 0.131 4.257 4.120 0.010 0.000 0.284 4178 V C 0.103 176.054 176.094 -0.239 0.000 1.386 4178 V CA -0.374 61.819 62.300 -0.177 0.000 1.053 4178 V CB 0.099 31.834 31.823 -0.147 0.000 0.857 4178 V HN 0.148 nan 8.190 nan 0.000 0.436 4179 Q N 0.752 120.291 119.800 -0.435 0.000 2.460 4179 Q HA -0.202 4.144 4.340 0.010 0.000 0.311 4179 Q C -0.291 175.450 176.000 -0.432 0.000 1.396 4179 Q CA 1.326 56.799 55.803 -0.549 0.000 0.838 4179 Q CB -1.686 27.010 28.738 -0.070 0.000 1.140 4179 Q HN 0.917 nan 8.270 nan 0.000 0.415 4180 E N -0.562 119.310 120.200 -0.547 0.000 2.392 4180 E HA 0.590 4.946 4.350 0.010 0.000 0.269 4180 E C -0.678 175.721 176.600 -0.335 0.000 0.924 4180 E CA -0.928 55.294 56.400 -0.297 0.000 0.784 4180 E CB 1.061 30.695 29.700 -0.110 0.000 1.292 4180 E HN 0.010 nan 8.360 nan 0.000 0.447 4181 F N 0.518 120.518 119.950 0.084 0.000 2.382 4181 F HA 0.560 5.093 4.527 0.010 0.000 0.331 4181 F C 1.085 176.904 175.800 0.031 0.000 1.121 4181 F CA 0.276 58.323 58.000 0.079 0.000 1.183 4181 F CB 1.204 40.274 39.000 0.116 0.000 1.207 4181 F HN 0.471 nan 8.300 nan 0.000 0.555 4182 G N 0.158 109.110 108.800 0.253 0.000 2.827 4182 G HA2 0.587 4.553 3.960 0.010 0.000 0.296 4182 G HA3 0.587 4.553 3.960 0.010 0.000 0.296 4182 G C -2.065 172.912 174.900 0.128 0.000 1.362 4182 G CA -0.729 44.450 45.100 0.132 0.000 0.809 4182 G HN 0.440 nan 8.290 nan 0.000 0.522 4183 V N 0.912 120.869 119.914 0.072 0.000 2.435 4183 V HA 0.631 4.757 4.120 0.010 0.000 0.290 4183 V C 0.824 176.955 176.094 0.061 0.000 1.030 4183 V CA -0.532 61.812 62.300 0.074 0.000 0.881 4183 V CB 1.098 32.912 31.823 -0.016 0.000 0.983 4183 V HN 1.138 nan 8.190 nan 0.000 0.445 4184 A N 4.656 127.528 122.820 0.087 0.000 2.488 4184 A HA 0.352 4.679 4.320 0.010 0.000 0.249 4184 A C 0.340 177.949 177.584 0.041 0.000 1.083 4184 A CA -0.073 52.000 52.037 0.061 0.000 0.768 4184 A CB -0.009 19.031 19.000 0.067 0.000 1.017 4184 A HN 0.876 nan 8.150 nan 0.000 0.496 4185 E N 1.426 121.640 120.200 0.024 0.000 2.280 4185 E HA 0.261 4.617 4.350 0.010 0.000 0.261 4185 E C 0.946 177.558 176.600 0.019 0.000 1.088 4185 E CA -0.838 55.572 56.400 0.016 0.000 0.915 4185 E CB 0.978 30.682 29.700 0.006 0.000 1.141 4185 E HN 0.345 nan 8.360 nan 0.000 0.433 4186 V N 1.804 121.727 119.914 0.015 0.000 2.392 4186 V HA -0.302 3.824 4.120 0.010 0.000 0.249 4186 V C 2.364 178.466 176.094 0.014 0.000 1.059 4186 V CA 2.351 64.661 62.300 0.015 0.000 1.051 4186 V CB -0.888 30.942 31.823 0.012 0.000 0.658 4186 V HN 0.650 nan 8.190 nan 0.000 0.455 4187 R N 0.282 120.788 120.500 0.010 0.000 2.148 4187 R HA -0.142 4.204 4.340 0.010 0.000 0.227 4187 R C 1.459 177.766 176.300 0.012 0.000 1.103 4187 R CA 1.742 57.848 56.100 0.009 0.000 0.983 4187 R CB -0.714 29.590 30.300 0.006 0.000 0.874 4187 R HN 0.428 nan 8.270 nan 0.000 0.451 4188 D N 1.448 121.856 120.400 0.014 0.000 2.312 4188 D HA -0.028 4.618 4.640 0.010 0.000 0.211 4188 D C 1.914 178.227 176.300 0.021 0.000 0.964 4188 D CA 0.720 54.730 54.000 0.017 0.000 0.877 4188 D CB 0.033 40.845 40.800 0.021 0.000 0.924 4188 D HN 0.300 nan 8.370 nan 0.000 0.515 4189 L N -0.033 121.203 121.223 0.022 0.000 2.478 4189 L HA 0.003 4.349 4.340 0.010 0.000 0.223 4189 L C 0.941 177.822 176.870 0.019 0.000 1.140 4189 L CA 0.648 55.501 54.840 0.022 0.000 0.842 4189 L CB -0.055 42.017 42.059 0.022 0.000 0.953 4189 L HN -0.187 nan 8.230 nan 0.000 0.452 4190 K N -0.022 120.388 120.400 0.017 0.000 2.106 4190 K HA 0.336 4.662 4.320 0.010 0.000 0.246 4190 K C -2.291 174.319 176.600 0.017 0.000 0.987 4190 K CA -1.967 54.329 56.287 0.015 0.000 0.904 4190 K CB 0.528 33.035 32.500 0.012 0.000 1.071 4190 K HN -0.288 nan 8.250 nan 0.000 0.453 4191 P HA -0.029 nan 4.420 nan 0.000 0.262 4191 P C -1.336 175.975 177.300 0.018 0.000 1.199 4191 P CA 0.326 63.438 63.100 0.019 0.000 0.763 4191 P CB 0.086 31.797 31.700 0.018 0.000 0.790 4192 N N 0.360 119.073 118.700 0.021 0.000 3.043 4192 N HA 0.438 5.184 4.740 0.010 0.000 0.243 4192 N C 0.070 175.595 175.510 0.025 0.000 1.347 4192 N CA -0.985 52.076 53.050 0.019 0.000 0.896 4192 N CB 0.318 38.814 38.487 0.014 0.000 1.501 4192 N HN 0.140 nan 8.380 nan 0.000 0.504 4193 G N -1.180 107.634 108.800 0.024 0.000 3.159 4193 G HA2 0.387 4.354 3.960 0.010 0.000 0.232 4193 G HA3 0.387 4.354 3.960 0.010 0.000 0.232 4193 G C 0.881 175.796 174.900 0.025 0.000 1.116 4193 G CA 0.372 45.492 45.100 0.033 0.000 0.767 4193 G HN 0.771 nan 8.290 nan 0.000 0.547 4194 A N 0.949 123.775 122.820 0.009 0.000 1.855 4194 A HA 0.186 4.512 4.320 0.010 0.000 0.213 4194 A C 0.967 178.535 177.584 -0.026 0.000 1.195 4194 A CA 0.546 52.577 52.037 -0.011 0.000 0.610 4194 A CB 0.044 19.036 19.000 -0.014 0.000 0.837 4194 A HN 0.249 nan 8.150 nan 0.000 0.444 4195 N N 0.172 118.865 118.700 -0.012 0.000 2.531 4195 N HA 0.398 5.144 4.740 0.010 0.000 0.268 4195 N C -1.462 174.052 175.510 0.007 0.000 1.023 4195 N CA -0.152 52.888 53.050 -0.015 0.000 0.896 4195 N CB 1.526 40.005 38.487 -0.014 0.000 1.233 4195 N HN 0.251 nan 8.380 nan 0.000 0.512 4196 I N 2.009 122.584 120.570 0.008 0.000 2.416 4196 I HA 0.063 4.239 4.170 0.010 0.000 0.288 4196 I C 0.628 176.732 176.117 -0.021 0.000 1.051 4196 I CA -0.673 60.619 61.300 -0.014 0.000 1.375 4196 I CB 0.662 38.611 38.000 -0.084 0.000 1.407 4196 I HN 0.239 nan 8.210 nan 0.000 0.516 4197 L N 8.836 130.068 121.223 0.014 0.000 2.513 4197 L HA 0.132 4.478 4.340 0.010 0.000 0.272 4197 L C -0.160 176.739 176.870 0.048 0.000 1.187 4197 L CA 0.436 55.297 54.840 0.036 0.000 0.895 4197 L CB 0.642 42.724 42.059 0.038 0.000 1.147 4197 L HN 0.294 nan 8.230 nan 0.000 0.483 4198 V N 5.211 125.169 119.914 0.073 0.000 2.498 4198 V HA 0.522 4.648 4.120 0.010 0.000 0.279 4198 V C 0.626 176.764 176.094 0.074 0.000 1.048 4198 V CA 0.161 62.532 62.300 0.119 0.000 0.967 4198 V CB 0.984 32.901 31.823 0.158 0.000 0.988 4198 V HN 1.028 nan 8.190 nan 0.000 0.473 4199 T N 0.537 115.145 114.554 0.089 0.000 2.888 4199 T HA 0.425 4.781 4.350 0.010 0.000 0.288 4199 T C 0.704 175.414 174.700 0.017 0.000 1.063 4199 T CA -0.730 61.392 62.100 0.037 0.000 1.010 4199 T CB 1.898 70.791 68.868 0.042 0.000 1.214 4199 T HN 0.419 nan 8.240 nan 0.000 0.533 4200 E N 0.641 120.833 120.200 -0.013 0.000 2.130 4200 E HA -0.162 4.194 4.350 0.010 0.000 0.196 4200 E C 1.740 178.329 176.600 -0.019 0.000 0.998 4200 E CA 1.615 57.998 56.400 -0.029 0.000 0.806 4200 E CB -0.146 29.531 29.700 -0.038 0.000 0.738 4200 E HN 0.737 nan 8.360 nan 0.000 0.459 4201 E N 0.619 120.815 120.200 -0.005 0.000 2.107 4201 E HA -0.125 4.231 4.350 0.010 0.000 0.191 4201 E C 1.484 178.076 176.600 -0.012 0.000 0.982 4201 E CA 1.297 57.691 56.400 -0.010 0.000 0.809 4201 E CB -0.136 29.562 29.700 -0.003 0.000 0.756 4201 E HN 0.293 nan 8.360 nan 0.000 0.459 4202 N N 0.244 118.960 118.700 0.027 0.000 2.205 4202 N HA -0.052 4.694 4.740 0.010 0.000 0.201 4202 N C 0.967 176.505 175.510 0.048 0.000 1.128 4202 N CA 0.289 53.348 53.050 0.015 0.000 0.867 4202 N CB -0.043 38.525 38.487 0.134 0.000 0.996 4202 N HN 0.159 nan 8.380 nan 0.000 0.503 4203 K N 0.656 121.100 120.400 0.074 0.000 2.148 4203 K HA -0.072 4.254 4.320 0.010 0.000 0.204 4203 K C 1.839 178.474 176.600 0.058 0.000 1.050 4203 K CA 0.890 57.249 56.287 0.120 0.000 0.942 4203 K CB -0.042 32.471 32.500 0.022 0.000 0.724 4203 K HN 0.062 nan 8.250 nan 0.000 0.446 4204 K N 1.256 121.634 120.400 -0.037 0.000 2.057 4204 K HA -0.217 4.110 4.320 0.010 0.000 0.207 4204 K C 2.190 178.750 176.600 -0.066 0.000 1.049 4204 K CA 1.772 58.014 56.287 -0.075 0.000 0.931 4204 K CB 0.018 32.462 32.500 -0.092 0.000 0.714 4204 K HN 0.231 nan 8.250 nan 0.000 0.440 4205 E N -0.405 119.697 120.200 -0.164 0.000 2.072 4205 E HA -0.191 4.165 4.350 0.010 0.000 0.191 4205 E C 1.563 177.975 176.600 -0.314 0.000 0.985 4205 E CA 1.577 57.813 56.400 -0.272 0.000 0.801 4205 E CB -0.254 29.149 29.700 -0.494 0.000 0.750 4205 E HN 0.399 nan 8.360 nan 0.000 0.452 4206 Y N -0.452 119.797 120.300 -0.085 0.000 2.314 4206 Y HA -0.056 4.501 4.550 0.010 0.000 0.293 4206 Y C 2.325 178.254 175.900 0.050 0.000 1.129 4206 Y CA 0.808 58.772 58.100 -0.226 0.000 1.201 4206 Y CB -0.563 37.762 38.460 -0.225 0.000 0.999 4206 Y HN -0.038 nan 8.280 nan 0.000 0.541 4207 V N -0.179 119.948 119.914 0.355 0.000 2.343 4207 V HA -0.336 3.790 4.120 0.010 0.000 0.247 4207 V C 2.337 178.571 176.094 0.234 0.000 1.051 4207 V CA 2.432 64.939 62.300 0.344 0.000 1.036 4207 V CB -0.723 31.175 31.823 0.125 0.000 0.654 4207 V HN 0.503 nan 8.190 nan 0.000 0.451 4208 H N 0.098 119.215 119.070 0.079 0.000 2.319 4208 H HA -0.166 4.396 4.556 0.010 0.000 0.299 4208 H C 1.966 177.357 175.328 0.104 0.000 1.092 4208 H CA 2.168 58.272 56.048 0.093 0.000 1.302 4208 H CB -0.283 29.492 29.762 0.023 0.000 1.373 4208 H HN 0.365 nan 8.280 nan 0.000 0.497 4209 L N -0.605 120.524 121.223 -0.158 0.000 2.109 4209 L HA -0.090 4.256 4.340 0.010 0.000 0.207 4209 L C 2.583 179.482 176.870 0.050 0.000 1.086 4209 L CA 0.719 55.476 54.840 -0.138 0.000 0.760 4209 L CB -0.240 41.812 42.059 -0.012 0.000 0.910 4209 L HN 0.208 nan 8.230 nan 0.000 0.437 4210 V N -0.879 119.118 119.914 0.137 0.000 2.295 4210 V HA -0.307 3.819 4.120 0.010 0.000 0.246 4210 V C 2.573 178.754 176.094 0.145 0.000 1.049 4210 V CA 1.827 64.214 62.300 0.145 0.000 1.024 4210 V CB -0.463 31.425 31.823 0.108 0.000 0.648 4210 V HN 0.551 nan 8.190 nan 0.000 0.447 4211 C N -0.783 118.626 119.300 0.182 0.000 2.429 4211 C HA -0.187 4.279 4.460 0.010 0.000 0.277 4211 C C 2.807 177.839 174.990 0.071 0.000 1.262 4211 C CA 1.288 60.414 59.018 0.180 0.000 1.733 4211 C CB -0.990 26.917 27.740 0.280 0.000 2.010 4211 C HN 0.636 nan 8.230 nan 0.000 0.483 4212 Q N 0.149 119.927 119.800 -0.036 0.000 2.096 4212 Q HA -0.274 4.072 4.340 0.010 0.000 0.204 4212 Q C 2.171 178.173 176.000 0.003 0.000 0.982 4212 Q CA 1.906 57.680 55.803 -0.050 0.000 0.850 4212 Q CB -0.205 28.411 28.738 -0.203 0.000 0.901 4212 Q HN 0.626 nan 8.270 nan 0.000 0.422 4213 M N 0.322 119.923 119.600 0.001 0.000 2.086 4213 M HA -0.147 4.339 4.480 0.010 0.000 0.261 4213 M C 1.771 178.064 176.300 -0.011 0.000 1.067 4213 M CA 1.726 57.027 55.300 0.000 0.000 1.116 4213 M CB -0.048 32.551 32.600 -0.002 0.000 1.348 4213 M HN 0.036 nan 8.290 nan 0.000 0.407 4214 R N -0.844 119.646 120.500 -0.017 0.000 2.092 4214 R HA -0.022 4.324 4.340 0.010 0.000 0.231 4214 R C 1.981 178.278 176.300 -0.006 0.000 1.119 4214 R CA 1.729 57.799 56.100 -0.051 0.000 0.970 4214 R CB -0.334 29.893 30.300 -0.122 0.000 0.864 4214 R HN 0.458 nan 8.270 nan 0.000 0.440 4215 M N -1.115 118.512 119.600 0.045 0.000 2.465 4215 M HA 0.072 4.558 4.480 0.010 0.000 0.249 4215 M C 0.745 177.157 176.300 0.187 0.000 1.130 4215 M CA 0.839 56.204 55.300 0.107 0.000 1.067 4215 M CB 0.960 33.627 32.600 0.112 0.000 1.394 4215 M HN 0.076 nan 8.290 nan 0.000 0.483 4216 T N -1.704 112.917 114.554 0.112 0.000 3.507 4216 T HA 0.147 4.503 4.350 0.010 0.000 0.280 4216 T C 1.635 176.330 174.700 -0.008 0.000 0.976 4216 T CA 0.449 62.594 62.100 0.074 0.000 1.096 4216 T CB -0.381 68.578 68.868 0.151 0.000 1.168 4216 T HN 0.354 nan 8.240 nan 0.000 0.463 4217 G N 1.516 110.319 108.800 0.006 0.000 2.418 4217 G HA2 0.006 3.973 3.960 0.010 0.000 0.217 4217 G HA3 0.006 3.973 3.960 0.010 0.000 0.217 4217 G C 1.667 176.552 174.900 -0.026 0.000 1.158 4217 G CA 1.080 46.175 45.100 -0.008 0.000 0.771 4217 G HN 0.595 nan 8.290 nan 0.000 0.545 4218 A N 0.556 123.357 122.820 -0.031 0.000 2.172 4218 A HA 0.225 4.551 4.320 0.010 0.000 0.216 4218 A C 1.892 179.441 177.584 -0.058 0.000 1.154 4218 A CA 1.216 53.228 52.037 -0.043 0.000 0.701 4218 A CB -0.421 18.550 19.000 -0.049 0.000 0.789 4218 A HN 0.882 nan 8.150 nan 0.000 0.465 4219 I N -5.259 115.266 120.570 -0.075 0.000 3.621 4219 I HA 0.346 4.522 4.170 0.010 0.000 0.325 4219 I C 1.252 177.279 176.117 -0.150 0.000 1.554 4219 I CA -0.384 60.841 61.300 -0.125 0.000 1.053 4219 I CB 0.150 38.069 38.000 -0.136 0.000 1.302 4219 I HN 0.124 nan 8.210 nan 0.000 0.518 4220 R N 2.484 122.923 120.500 -0.102 0.000 2.083 4220 R HA -0.116 4.230 4.340 0.010 0.000 0.237 4220 R C 1.745 177.987 176.300 -0.098 0.000 1.137 4220 R CA 1.923 57.965 56.100 -0.096 0.000 0.951 4220 R CB 0.003 30.274 30.300 -0.049 0.000 0.851 4220 R HN 0.415 nan 8.270 nan 0.000 0.434 4221 K N 0.011 120.366 120.400 -0.076 0.000 2.057 4221 K HA -0.176 4.150 4.320 0.010 0.000 0.207 4221 K C 2.327 178.852 176.600 -0.124 0.000 1.049 4221 K CA 1.883 58.132 56.287 -0.063 0.000 0.931 4221 K CB -0.061 32.429 32.500 -0.016 0.000 0.714 4221 K HN 0.235 nan 8.250 nan 0.000 0.440 4222 Q N 0.822 120.465 119.800 -0.261 0.000 2.050 4222 Q HA -0.154 4.192 4.340 0.010 0.000 0.202 4222 Q C 2.050 177.837 176.000 -0.354 0.000 0.980 4222 Q CA 1.114 56.560 55.803 -0.595 0.000 0.840 4222 Q CB -0.296 27.729 28.738 -1.190 0.000 0.898 4222 Q HN 0.129 nan 8.270 nan 0.000 0.424 4223 L N 0.499 121.565 121.223 -0.263 0.000 2.012 4223 L HA -0.163 4.183 4.340 0.010 0.000 0.210 4223 L C 2.072 178.915 176.870 -0.045 0.000 1.073 4223 L CA 2.224 56.969 54.840 -0.159 0.000 0.748 4223 L CB -1.061 40.825 42.059 -0.289 0.000 0.891 4223 L HN 0.226 nan 8.230 nan 0.000 0.431 4224 A N -0.880 121.908 122.820 -0.053 0.000 1.933 4224 A HA -0.101 4.225 4.320 0.010 0.000 0.218 4224 A C 2.423 180.046 177.584 0.065 0.000 1.175 4224 A CA 1.824 53.867 52.037 0.010 0.000 0.628 4224 A CB -1.060 17.944 19.000 0.007 0.000 0.814 4224 A HN 0.567 nan 8.150 nan 0.000 0.444 4225 A N -1.057 121.809 122.820 0.076 0.000 1.873 4225 A HA -0.009 4.317 4.320 0.010 0.000 0.215 4225 A C 2.066 179.771 177.584 0.202 0.000 1.186 4225 A CA 1.485 53.606 52.037 0.141 0.000 0.616 4225 A CB -0.797 18.308 19.000 0.175 0.000 0.823 4225 A HN 0.690 nan 8.150 nan 0.000 0.442 4226 F N 0.733 120.761 119.950 0.130 0.000 2.091 4226 F HA -0.215 4.318 4.527 0.010 0.000 0.299 4226 F C 1.928 177.751 175.800 0.039 0.000 1.103 4226 F CA 2.031 60.139 58.000 0.180 0.000 1.228 4226 F CB -0.233 38.914 39.000 0.245 0.000 0.984 4226 F HN 0.150 nan 8.300 nan 0.000 0.477 4227 L N 0.111 121.421 121.223 0.145 0.000 2.083 4227 L HA -0.213 4.133 4.340 0.010 0.000 0.209 4227 L C 2.536 179.305 176.870 -0.169 0.000 1.083 4227 L CA 1.826 56.561 54.840 -0.175 0.000 0.752 4227 L CB -0.870 41.127 42.059 -0.104 0.000 0.899 4227 L HN 0.294 nan 8.230 nan 0.000 0.433 4228 E N 0.377 120.594 120.200 0.027 0.000 2.077 4228 E HA -0.194 4.162 4.350 0.010 0.000 0.193 4228 E C 2.167 178.797 176.600 0.050 0.000 0.989 4228 E CA 1.227 57.684 56.400 0.095 0.000 0.800 4228 E CB -0.125 29.635 29.700 0.099 0.000 0.746 4228 E HN 0.466 nan 8.360 nan 0.000 0.452 4229 G N 0.302 109.093 108.800 -0.015 0.000 2.402 4229 G HA2 -0.276 3.690 3.960 0.010 0.000 0.216 4229 G HA3 -0.276 3.690 3.960 0.010 0.000 0.216 4229 G C 1.359 176.193 174.900 -0.110 0.000 1.162 4229 G CA 0.577 45.644 45.100 -0.055 0.000 0.777 4229 G HN 0.361 nan 8.290 nan 0.000 0.539 4230 F N 0.332 120.059 119.950 -0.372 0.000 2.084 4230 F HA -0.011 4.522 4.527 0.009 0.000 0.296 4230 F C 2.425 178.166 175.800 -0.098 0.000 1.111 4230 F CA 1.144 58.940 58.000 -0.340 0.000 1.224 4230 F CB -0.014 38.669 39.000 -0.529 0.000 0.991 4230 F HN 0.141 nan 8.300 nan 0.000 0.471 4231 Y N 0.867 121.330 120.300 0.272 0.000 2.421 4231 Y HA -0.114 4.443 4.550 0.010 0.000 0.292 4231 Y C 2.265 178.196 175.900 0.052 0.000 1.136 4231 Y CA 0.913 59.135 58.100 0.204 0.000 1.255 4231 Y CB -1.221 37.353 38.460 0.190 0.000 0.991 4231 Y HN 0.260 nan 8.280 nan 0.000 0.552 4232 E N -0.240 120.040 120.200 0.134 0.000 2.204 4232 E HA -0.148 4.208 4.350 0.010 0.000 0.195 4232 E C 1.775 178.359 176.600 -0.027 0.000 0.990 4232 E CA 1.199 57.626 56.400 0.044 0.000 0.821 4232 E CB -0.093 29.611 29.700 0.007 0.000 0.750 4232 E HN 0.485 nan 8.360 nan 0.000 0.477 4233 I N 0.100 120.617 120.570 -0.087 0.000 2.947 4233 I HA 0.003 4.179 4.170 0.010 0.000 0.263 4233 I C 0.510 176.565 176.117 -0.104 0.000 1.130 4233 I CA 0.173 61.371 61.300 -0.171 0.000 1.448 4233 I CB 0.641 38.485 38.000 -0.259 0.000 1.222 4233 I HN -0.058 nan 8.210 nan 0.000 0.453 4234 I N 2.841 123.357 120.570 -0.090 0.000 2.390 4234 I HA 0.336 4.512 4.170 0.010 0.000 0.283 4234 I C -2.492 173.807 176.117 0.303 0.000 1.016 4234 I CA -2.415 58.938 61.300 0.088 0.000 1.151 4234 I CB 0.498 38.543 38.000 0.074 0.000 1.293 4234 I HN -0.268 nan 8.210 nan 0.000 0.458 4235 P HA 0.074 nan 4.420 nan 0.000 0.266 4235 P C 0.938 178.376 177.300 0.229 0.000 1.195 4235 P CA -0.125 63.088 63.100 0.187 0.000 0.768 4235 P CB 1.151 32.905 31.700 0.089 0.000 0.838 4236 K N 3.783 124.155 120.400 -0.047 0.000 2.074 4236 K HA -0.237 4.089 4.320 0.010 0.000 0.209 4236 K C 1.911 178.536 176.600 0.041 0.000 1.048 4236 K CA 1.725 57.906 56.287 -0.177 0.000 0.926 4236 K CB -0.076 31.963 32.500 -0.768 0.000 0.713 4236 K HN 0.380 nan 8.250 nan 0.000 0.444 4237 R N 0.312 120.821 120.500 0.015 0.000 2.152 4237 R HA -0.136 4.210 4.340 0.010 0.000 0.232 4237 R C 2.202 178.584 176.300 0.136 0.000 1.117 4237 R CA 1.237 57.369 56.100 0.054 0.000 0.981 4237 R CB -0.495 29.822 30.300 0.028 0.000 0.870 4237 R HN 0.162 nan 8.270 nan 0.000 0.451 4238 L N 0.950 122.293 121.223 0.201 0.000 2.049 4238 L HA 0.083 4.429 4.340 0.010 0.000 0.203 4238 L C 2.141 179.273 176.870 0.437 0.000 1.074 4238 L CA 1.224 56.240 54.840 0.294 0.000 0.749 4238 L CB -0.545 41.665 42.059 0.252 0.000 0.907 4238 L HN 0.204 nan 8.230 nan 0.000 0.439 4239 I N -0.243 120.648 120.570 0.535 0.000 2.567 4239 I HA -0.232 3.944 4.170 0.010 0.000 0.257 4239 I C 2.430 178.772 176.117 0.375 0.000 1.184 4239 I CA 1.420 63.068 61.300 0.581 0.000 1.451 4239 I CB -0.265 38.142 38.000 0.679 0.000 1.089 4239 I HN 0.512 nan 8.210 nan 0.000 0.441 4240 S N -0.196 115.653 115.700 0.249 0.000 2.507 4240 S HA -0.140 4.336 4.470 0.010 0.000 0.235 4240 S C 2.141 176.791 174.600 0.084 0.000 0.988 4240 S CA 0.871 59.165 58.200 0.157 0.000 0.944 4240 S CB -1.006 62.256 63.200 0.103 0.000 0.762 4240 S HN 0.605 nan 8.310 nan 0.000 0.526 4241 I N -0.006 120.568 120.570 0.007 0.000 2.454 4241 I HA 0.024 4.200 4.170 0.010 0.000 0.254 4241 I C -0.229 175.774 176.117 -0.190 0.000 1.156 4241 I CA 0.688 61.909 61.300 -0.131 0.000 1.433 4241 I CB 0.002 37.876 38.000 -0.210 0.000 1.082 4241 I HN 0.176 nan 8.210 nan 0.000 0.432 4242 F N 0.991 121.008 119.950 0.112 0.000 2.371 4242 F HA 0.214 4.749 4.527 0.013 0.000 0.329 4242 F C 1.267 177.101 175.800 0.057 0.000 1.107 4242 F CA -0.772 57.280 58.000 0.088 0.000 1.137 4242 F CB 0.529 39.565 39.000 0.060 0.000 1.214 4242 F HN -0.079 nan 8.300 nan 0.000 0.536 4243 T N -1.425 113.272 114.554 0.238 0.000 2.754 4243 T HA 0.168 4.524 4.350 0.010 0.000 0.286 4243 T C 0.966 175.709 174.700 0.071 0.000 0.997 4243 T CA -0.578 61.593 62.100 0.119 0.000 0.982 4243 T CB 0.713 69.620 68.868 0.065 0.000 1.027 4243 T HN 0.582 nan 8.240 nan 0.000 0.529 4244 E N 0.261 120.482 120.200 0.035 0.000 2.097 4244 E HA -0.189 4.167 4.350 0.010 0.000 0.196 4244 E C 2.398 178.896 176.600 -0.170 0.000 1.000 4244 E CA 1.674 58.070 56.400 -0.006 0.000 0.804 4244 E CB -0.370 29.372 29.700 0.070 0.000 0.740 4244 E HN 0.716 nan 8.360 nan 0.000 0.454 4245 Q N 0.346 120.076 119.800 -0.117 0.000 2.084 4245 Q HA -0.165 4.181 4.340 0.010 0.000 0.202 4245 Q C 2.057 177.888 176.000 -0.282 0.000 0.978 4245 Q CA 1.397 57.093 55.803 -0.178 0.000 0.844 4245 Q CB -0.077 28.593 28.738 -0.112 0.000 0.898 4245 Q HN 0.407 nan 8.270 nan 0.000 0.426 4246 E N 0.321 120.388 120.200 -0.222 0.000 2.152 4246 E HA -0.162 4.194 4.350 0.010 0.000 0.192 4246 E C 1.885 178.270 176.600 -0.358 0.000 0.983 4246 E CA 0.429 56.632 56.400 -0.328 0.000 0.818 4246 E CB -0.009 29.742 29.700 0.085 0.000 0.758 4246 E HN 0.137 nan 8.360 nan 0.000 0.467 4247 L N 1.807 122.861 121.223 -0.282 0.000 2.046 4247 L HA -0.203 4.143 4.340 0.010 0.000 0.208 4247 L C 2.227 178.866 176.870 -0.385 0.000 1.077 4247 L CA 1.901 56.549 54.840 -0.320 0.000 0.747 4247 L CB -0.406 41.569 42.059 -0.140 0.000 0.896 4247 L HN 0.087 nan 8.230 nan 0.000 0.432 4248 E N -0.527 119.290 120.200 -0.638 0.000 2.038 4248 E HA -0.241 4.115 4.350 0.010 0.000 0.195 4248 E C 2.228 178.681 176.600 -0.245 0.000 1.000 4248 E CA 1.720 57.823 56.400 -0.496 0.000 0.803 4248 E CB -0.274 29.113 29.700 -0.523 0.000 0.750 4248 E HN 0.595 nan 8.360 nan 0.000 0.448 4249 L N 0.534 121.572 121.223 -0.308 0.000 2.127 4249 L HA -0.199 4.147 4.340 0.010 0.000 0.211 4249 L C 2.722 179.520 176.870 -0.121 0.000 1.089 4249 L CA 0.552 55.229 54.840 -0.272 0.000 0.757 4249 L CB -0.450 41.231 42.059 -0.630 0.000 0.899 4249 L HN 0.290 nan 8.230 nan 0.000 0.434 4250 L N -0.085 121.046 121.223 -0.153 0.000 2.027 4250 L HA -0.149 4.197 4.340 0.010 0.000 0.206 4250 L C 2.294 179.114 176.870 -0.082 0.000 1.074 4250 L CA 1.643 56.409 54.840 -0.123 0.000 0.745 4250 L CB -0.160 41.622 42.059 -0.462 0.000 0.898 4250 L HN 0.051 nan 8.230 nan 0.000 0.433 4251 I N -1.077 119.456 120.570 -0.062 0.000 2.193 4251 I HA -0.209 3.967 4.170 0.010 0.000 0.240 4251 I C 2.052 178.125 176.117 -0.072 0.000 1.084 4251 I CA 1.523 62.827 61.300 0.007 0.000 1.365 4251 I CB -0.331 37.766 38.000 0.162 0.000 1.064 4251 I HN 0.401 nan 8.210 nan 0.000 0.410 4252 S N -0.455 115.166 115.700 -0.133 0.000 2.540 4252 S HA 0.487 4.963 4.470 0.010 0.000 0.218 4252 S C 0.769 175.310 174.600 -0.099 0.000 0.977 4252 S CA 0.120 58.184 58.200 -0.227 0.000 0.918 4252 S CB 0.508 63.341 63.200 -0.611 0.000 0.806 4252 S HN 0.615 nan 8.310 nan 0.000 0.496 4253 G N 0.803 109.574 108.800 -0.049 0.000 2.619 4253 G HA2 -0.039 3.927 3.960 0.010 0.000 0.686 4253 G HA3 -0.039 3.927 3.960 0.010 0.000 0.686 4253 G C -1.100 173.817 174.900 0.027 0.000 1.256 4253 G CA -0.736 44.368 45.100 0.006 0.000 0.826 4253 G HN 0.498 nan 8.290 nan 0.000 0.619 4254 L N 2.985 124.244 121.223 0.059 0.000 2.268 4254 L HA 0.433 4.779 4.340 0.010 0.000 0.289 4254 L C -0.983 175.930 176.870 0.071 0.000 1.064 4254 L CA -1.651 53.225 54.840 0.061 0.000 0.824 4254 L CB 0.863 42.992 42.059 0.117 0.000 1.202 4254 L HN 0.589 nan 8.230 nan 0.000 0.433 4255 P HA 0.114 nan 4.420 nan 0.000 0.272 4255 P C -0.624 176.730 177.300 0.090 0.000 1.230 4255 P CA -0.349 62.801 63.100 0.083 0.000 0.788 4255 P CB 0.759 32.517 31.700 0.097 0.000 0.949 4256 T N 1.911 116.516 114.554 0.085 0.000 2.817 4256 T HA 0.406 4.762 4.350 0.010 0.000 0.293 4256 T C 0.417 175.194 174.700 0.129 0.000 0.964 4256 T CA -0.130 62.028 62.100 0.096 0.000 1.085 4256 T CB 0.017 68.931 68.868 0.077 0.000 0.921 4256 T HN 0.218 nan 8.240 nan 0.000 0.502 4257 I N 3.166 123.832 120.570 0.161 0.000 2.354 4257 I HA 0.186 4.362 4.170 0.010 0.000 0.286 4257 I C 0.139 176.393 176.117 0.229 0.000 1.007 4257 I CA -0.747 60.701 61.300 0.246 0.000 1.167 4257 I CB 1.231 39.385 38.000 0.257 0.000 1.320 4257 I HN 0.483 nan 8.210 nan 0.000 0.458 4258 D N 7.301 127.868 120.400 0.278 0.000 2.416 4258 D HA 0.134 4.780 4.640 0.010 0.000 0.240 4258 D C 1.110 177.546 176.300 0.228 0.000 1.250 4258 D CA 0.224 54.353 54.000 0.216 0.000 0.967 4258 D CB 0.656 41.568 40.800 0.187 0.000 1.059 4258 D HN 0.449 nan 8.370 nan 0.000 0.512 4259 I N 2.240 122.894 120.570 0.139 0.000 2.286 4259 I HA -0.259 3.917 4.170 0.010 0.000 0.248 4259 I C 1.646 177.767 176.117 0.008 0.000 1.115 4259 I CA 0.732 62.091 61.300 0.099 0.000 1.392 4259 I CB 0.034 38.087 38.000 0.089 0.000 1.065 4259 I HN 0.294 nan 8.210 nan 0.000 0.418 4260 D N 0.672 121.071 120.400 -0.002 0.000 2.123 4260 D HA -0.238 4.408 4.640 0.010 0.000 0.196 4260 D C 1.743 178.039 176.300 -0.007 0.000 0.992 4260 D CA 1.614 55.582 54.000 -0.054 0.000 0.833 4260 D CB -0.398 40.388 40.800 -0.024 0.000 0.954 4260 D HN 0.379 nan 8.370 nan 0.000 0.455 4261 D N -0.036 120.426 120.400 0.105 0.000 2.117 4261 D HA -0.131 4.515 4.640 0.010 0.000 0.198 4261 D C 2.060 178.518 176.300 0.263 0.000 0.982 4261 D CA 0.384 54.502 54.000 0.197 0.000 0.828 4261 D CB -0.154 40.810 40.800 0.273 0.000 0.967 4261 D HN 0.030 nan 8.370 nan 0.000 0.464 4262 L N 1.043 122.403 121.223 0.228 0.000 1.989 4262 L HA -0.122 4.224 4.340 0.010 0.000 0.211 4262 L C 2.259 179.204 176.870 0.125 0.000 1.071 4262 L CA 1.972 56.813 54.840 0.001 0.000 0.749 4262 L CB -0.770 41.110 42.059 -0.299 0.000 0.890 4262 L HN -0.028 nan 8.230 nan 0.000 0.431 4263 K N -1.003 119.297 120.400 -0.166 0.000 2.063 4263 K HA -0.172 4.154 4.320 0.010 0.000 0.208 4263 K C 1.916 178.414 176.600 -0.169 0.000 1.048 4263 K CA 1.766 57.699 56.287 -0.590 0.000 0.928 4263 K CB -0.175 31.607 32.500 -1.197 0.000 0.713 4263 K HN 0.403 nan 8.250 nan 0.000 0.442 4264 S N 0.955 116.606 115.700 -0.081 0.000 2.500 4264 S HA -0.030 4.446 4.470 0.010 0.000 0.239 4264 S C 0.598 175.236 174.600 0.062 0.000 0.989 4264 S CA 0.716 58.915 58.200 -0.002 0.000 0.951 4264 S CB -0.076 63.133 63.200 0.014 0.000 0.759 4264 S HN 0.349 nan 8.310 nan 0.000 0.523 4265 N N 1.432 120.201 118.700 0.115 0.000 2.553 4265 N HA 0.158 4.904 4.740 0.010 0.000 0.298 4265 N C -1.085 174.527 175.510 0.168 0.000 1.596 4265 N CA 0.099 53.239 53.050 0.150 0.000 0.910 4265 N CB 1.295 39.909 38.487 0.211 0.000 1.336 4265 N HN 0.115 nan 8.380 nan 0.000 0.497 4266 T N 0.619 115.240 114.554 0.110 0.000 2.823 4266 T HA 0.352 4.708 4.350 0.010 0.000 0.279 4266 T C 0.050 174.544 174.700 -0.343 0.000 0.998 4266 T CA -0.441 61.641 62.100 -0.029 0.000 0.994 4266 T CB 2.179 71.138 68.868 0.153 0.000 0.960 4266 T HN 0.064 nan 8.240 nan 0.000 0.448 4267 E N 1.313 121.251 120.200 -0.437 0.000 2.212 4267 E HA 0.513 4.869 4.350 0.010 0.000 0.270 4267 E C -1.302 174.881 176.600 -0.696 0.000 0.956 4267 E CA -0.805 55.332 56.400 -0.438 0.000 0.825 4267 E CB 1.689 31.290 29.700 -0.165 0.000 1.167 4267 E HN 0.557 nan 8.360 nan 0.000 0.400 4268 Y N 0.169 120.312 120.300 -0.261 0.000 2.462 4268 Y HA 0.352 4.908 4.550 0.010 0.000 0.346 4268 Y C -0.179 175.403 175.900 -0.531 0.000 0.976 4268 Y CA -0.887 57.072 58.100 -0.234 0.000 1.044 4268 Y CB 1.755 40.163 38.460 -0.087 0.000 1.230 4268 Y HN 0.403 nan 8.280 nan 0.000 0.455 4269 H N 3.014 122.001 119.070 -0.137 0.000 2.823 4269 H HA 0.292 4.854 4.556 0.010 0.000 0.332 4269 H C -0.305 174.886 175.328 -0.229 0.000 0.980 4269 H CA -0.977 54.883 56.048 -0.314 0.000 1.286 4269 H CB 1.816 31.067 29.762 -0.852 0.000 1.541 4269 H HN 0.743 nan 8.280 nan 0.000 0.521 4270 K N 1.296 121.645 120.400 -0.085 0.000 3.472 4270 K HA -0.228 4.098 4.320 0.010 0.000 0.315 4270 K C -0.703 175.745 176.600 -0.254 0.000 1.320 4270 K CA 1.209 57.402 56.287 -0.156 0.000 0.962 4270 K CB -1.228 31.157 32.500 -0.191 0.000 1.251 4270 K HN 0.515 nan 8.250 nan 0.000 0.443 4271 Y N 0.117 120.392 120.300 -0.040 0.000 2.602 4271 Y HA 0.349 4.905 4.550 0.010 0.000 0.342 4271 Y C 0.632 176.461 175.900 -0.117 0.000 1.029 4271 Y CA -1.222 56.834 58.100 -0.074 0.000 1.080 4271 Y CB 1.897 40.324 38.460 -0.055 0.000 1.284 4271 Y HN -0.090 nan 8.280 nan 0.000 0.485 4272 Q N -0.449 119.354 119.800 0.005 0.000 2.378 4272 Q HA 0.271 4.617 4.340 0.010 0.000 0.276 4272 Q C 0.574 176.307 176.000 -0.445 0.000 1.083 4272 Q CA -0.669 55.042 55.803 -0.155 0.000 0.856 4272 Q CB 1.916 30.596 28.738 -0.097 0.000 1.383 4272 Q HN 0.705 nan 8.270 nan 0.000 0.458 4273 S N 0.862 116.264 115.700 -0.497 0.000 2.402 4273 S HA -0.169 4.307 4.470 0.010 0.000 0.233 4273 S C 1.102 175.505 174.600 -0.329 0.000 1.030 4273 S CA 2.288 60.140 58.200 -0.581 0.000 1.003 4273 S CB -0.191 62.894 63.200 -0.191 0.000 0.813 4273 S HN 0.724 nan 8.310 nan 0.000 0.477 4274 N N 0.011 118.580 118.700 -0.219 0.000 2.203 4274 N HA 0.170 4.916 4.740 0.010 0.000 0.207 4274 N C -0.250 175.160 175.510 -0.167 0.000 1.130 4274 N CA -0.121 52.838 53.050 -0.152 0.000 0.861 4274 N CB -0.371 38.055 38.487 -0.101 0.000 1.005 4274 N HN 0.025 nan 8.380 nan 0.000 0.507 4275 S N 0.951 116.537 115.700 -0.190 0.000 2.558 4275 S HA 0.010 4.487 4.470 0.010 0.000 0.291 4275 S C 1.431 175.857 174.600 -0.290 0.000 1.306 4275 S CA -0.453 57.644 58.200 -0.172 0.000 1.056 4275 S CB 0.722 63.884 63.200 -0.063 0.000 0.836 4275 S HN 0.382 nan 8.310 nan 0.000 0.504 4276 I N 2.019 122.376 120.570 -0.355 0.000 2.286 4276 I HA -0.260 3.916 4.170 0.010 0.000 0.248 4276 I C 1.997 177.594 176.117 -0.866 0.000 1.115 4276 I CA 1.504 62.415 61.300 -0.649 0.000 1.392 4276 I CB -0.040 37.489 38.000 -0.785 0.000 1.065 4276 I HN 0.628 nan 8.210 nan 0.000 0.418 4277 Q N 0.362 119.809 119.800 -0.590 0.000 2.226 4277 Q HA -0.151 4.195 4.340 0.010 0.000 0.204 4277 Q C 1.949 177.825 176.000 -0.207 0.000 0.975 4277 Q CA 1.346 56.984 55.803 -0.275 0.000 0.866 4277 Q CB -0.133 28.479 28.738 -0.209 0.000 0.915 4277 Q HN 0.472 nan 8.270 nan 0.000 0.440 4278 I N 0.327 120.672 120.570 -0.375 0.000 2.233 4278 I HA -0.216 3.960 4.170 0.010 0.000 0.243 4278 I C 1.986 178.171 176.117 0.113 0.000 1.093 4278 I CA 1.382 62.574 61.300 -0.181 0.000 1.380 4278 I CB -1.195 36.625 38.000 -0.301 0.000 1.067 4278 I HN 0.345 nan 8.210 nan 0.000 0.413 4279 Q N -0.573 119.244 119.800 0.029 0.000 2.135 4279 Q HA -0.231 4.115 4.340 0.010 0.000 0.204 4279 Q C 2.188 178.376 176.000 0.313 0.000 0.981 4279 Q CA 1.586 57.478 55.803 0.148 0.000 0.856 4279 Q CB -0.225 28.500 28.738 -0.022 0.000 0.902 4279 Q HN 0.474 nan 8.270 nan 0.000 0.425 4280 W N 0.041 121.448 121.300 0.178 0.000 2.381 4280 W HA -0.116 4.550 4.660 0.011 0.000 0.301 4280 W C 2.056 178.708 176.519 0.221 0.000 1.205 4280 W CA 0.171 57.708 57.345 0.318 0.000 1.285 4280 W CB -1.125 28.537 29.460 0.337 0.000 1.133 4280 W HN 0.140 nan 8.180 nan 0.000 0.521 4281 F N -0.544 119.508 119.950 0.170 0.000 2.069 4281 F HA -0.215 4.319 4.527 0.010 0.000 0.298 4281 F C 2.021 177.686 175.800 -0.226 0.000 1.113 4281 F CA 1.994 59.917 58.000 -0.129 0.000 1.214 4281 F CB -1.020 37.784 39.000 -0.328 0.000 0.978 4281 F HN -0.206 nan 8.300 nan 0.000 0.474 4282 W N 0.637 121.917 121.300 -0.034 0.000 2.358 4282 W HA -0.124 4.542 4.660 0.010 0.000 0.303 4282 W C 2.813 179.204 176.519 -0.213 0.000 1.208 4282 W CA 1.428 58.655 57.345 -0.196 0.000 1.274 4282 W CB -0.568 28.914 29.460 0.037 0.000 1.138 4282 W HN -0.040 nan 8.180 nan 0.000 0.515 4283 R N 0.895 121.487 120.500 0.155 0.000 2.081 4283 R HA -0.146 4.200 4.340 0.010 0.000 0.235 4283 R C 2.216 178.536 176.300 0.033 0.000 1.131 4283 R CA 1.900 58.054 56.100 0.089 0.000 0.960 4283 R CB -0.631 29.692 30.300 0.038 0.000 0.856 4283 R HN 0.092 nan 8.270 nan 0.000 0.436 4284 A N 1.086 123.913 122.820 0.012 0.000 1.877 4284 A HA -0.152 4.174 4.320 0.010 0.000 0.216 4284 A C 2.051 178.968 177.584 -1.112 0.000 1.186 4284 A CA 1.352 53.147 52.037 -0.403 0.000 0.620 4284 A CB -0.719 17.982 19.000 -0.499 0.000 0.822 4284 A HN 0.394 nan 8.150 nan 0.000 0.443 4285 L N 0.004 120.545 121.223 -1.136 0.000 2.012 4285 L HA -0.136 4.210 4.340 0.010 0.000 0.210 4285 L C 2.416 178.923 176.870 -0.605 0.000 1.073 4285 L CA 1.980 56.121 54.840 -1.166 0.000 0.748 4285 L CB -0.629 40.794 42.059 -1.059 0.000 0.891 4285 L HN 0.353 nan 8.230 nan 0.000 0.431 4286 R N -0.774 119.527 120.500 -0.332 0.000 2.152 4286 R HA -0.103 4.243 4.340 0.010 0.000 0.232 4286 R C 2.278 178.519 176.300 -0.097 0.000 1.117 4286 R CA 1.295 57.317 56.100 -0.129 0.000 0.981 4286 R CB -0.463 29.808 30.300 -0.048 0.000 0.870 4286 R HN 0.653 nan 8.270 nan 0.000 0.451 4287 S N -0.190 115.414 115.700 -0.160 0.000 2.527 4287 S HA 0.036 4.512 4.470 0.010 0.000 0.222 4287 S C 0.449 175.129 174.600 0.133 0.000 0.985 4287 S CA -0.101 58.090 58.200 -0.015 0.000 0.921 4287 S CB -0.016 63.207 63.200 0.039 0.000 0.772 4287 S HN -0.051 nan 8.310 nan 0.000 0.529 4288 F N 3.859 123.791 119.950 -0.029 0.000 2.410 4288 F HA 0.423 4.957 4.527 0.011 0.000 0.334 4288 F C 0.884 176.685 175.800 0.001 0.000 1.134 4288 F CA -2.291 55.693 58.000 -0.027 0.000 1.227 4288 F CB 0.161 39.128 39.000 -0.055 0.000 1.194 4288 F HN 0.245 nan 8.300 nan 0.000 0.571 4289 D N 0.839 121.362 120.400 0.206 0.000 2.411 4289 D HA 0.058 4.704 4.640 0.010 0.000 0.251 4289 D C 1.083 177.458 176.300 0.126 0.000 1.201 4289 D CA -0.423 53.655 54.000 0.130 0.000 0.996 4289 D CB 0.261 41.115 40.800 0.090 0.000 1.101 4289 D HN 0.421 nan 8.370 nan 0.000 0.504 4290 Q N 0.389 120.254 119.800 0.109 0.000 2.077 4290 Q HA -0.266 4.080 4.340 0.010 0.000 0.206 4290 Q C 1.956 178.015 176.000 0.099 0.000 0.989 4290 Q CA 2.309 58.178 55.803 0.108 0.000 0.853 4290 Q CB -1.413 27.388 28.738 0.104 0.000 0.907 4290 Q HN 0.600 nan 8.270 nan 0.000 0.418 4291 A N 1.929 124.808 122.820 0.098 0.000 1.902 4291 A HA -0.194 4.132 4.320 0.010 0.000 0.217 4291 A C 1.837 179.419 177.584 -0.003 0.000 1.181 4291 A CA 1.770 53.834 52.037 0.045 0.000 0.623 4291 A CB -0.503 18.568 19.000 0.117 0.000 0.818 4291 A HN 0.370 nan 8.150 nan 0.000 0.443 4292 D N -0.676 119.726 120.400 0.003 0.000 2.183 4292 D HA -0.076 4.571 4.640 0.010 0.000 0.203 4292 D C 2.188 178.546 176.300 0.097 0.000 0.969 4292 D CA 0.812 54.768 54.000 -0.072 0.000 0.842 4292 D CB -0.280 40.335 40.800 -0.307 0.000 0.957 4292 D HN 0.452 nan 8.370 nan 0.000 0.484 4293 R N 0.771 121.384 120.500 0.189 0.000 2.081 4293 R HA -0.044 4.302 4.340 0.010 0.000 0.235 4293 R C 2.294 178.731 176.300 0.227 0.000 1.131 4293 R CA 1.296 57.546 56.100 0.250 0.000 0.960 4293 R CB -0.214 30.200 30.300 0.190 0.000 0.856 4293 R HN 0.069 nan 8.270 nan 0.000 0.436 4294 A N 1.406 124.304 122.820 0.131 0.000 1.930 4294 A HA -0.154 4.172 4.320 0.010 0.000 0.217 4294 A C 1.866 179.486 177.584 0.060 0.000 1.175 4294 A CA 1.265 53.355 52.037 0.088 0.000 0.627 4294 A CB -0.189 18.822 19.000 0.019 0.000 0.815 4294 A HN 0.187 nan 8.150 nan 0.000 0.443 4295 K N -1.508 118.909 120.400 0.029 0.000 2.148 4295 K HA -0.067 4.259 4.320 0.010 0.000 0.204 4295 K C 1.673 178.329 176.600 0.092 0.000 1.050 4295 K CA 1.309 57.599 56.287 0.004 0.000 0.942 4295 K CB -0.288 32.175 32.500 -0.061 0.000 0.724 4295 K HN 0.524 nan 8.250 nan 0.000 0.446 4296 F N 1.684 121.664 119.950 0.050 0.000 2.102 4296 F HA -0.204 4.328 4.527 0.009 0.000 0.298 4296 F C 1.906 177.779 175.800 0.121 0.000 1.105 4296 F CA 0.993 59.073 58.000 0.133 0.000 1.239 4296 F CB -0.354 38.746 39.000 0.168 0.000 0.991 4296 F HN -0.110 nan 8.300 nan 0.000 0.474 4297 L N 0.917 122.137 121.223 -0.005 0.000 2.013 4297 L HA -0.275 4.071 4.340 0.010 0.000 0.212 4297 L C 2.389 179.173 176.870 -0.144 0.000 1.073 4297 L CA 2.027 56.792 54.840 -0.125 0.000 0.753 4297 L CB -1.084 41.016 42.059 0.069 0.000 0.890 4297 L HN 0.314 nan 8.230 nan 0.000 0.432 4298 Q N -1.828 117.942 119.800 -0.050 0.000 2.061 4298 Q HA -0.259 4.087 4.340 0.010 0.000 0.204 4298 Q C 2.196 178.176 176.000 -0.034 0.000 0.984 4298 Q CA 1.973 57.758 55.803 -0.029 0.000 0.846 4298 Q CB -0.423 28.315 28.738 -0.000 0.000 0.902 4298 Q HN 0.525 nan 8.270 nan 0.000 0.421 4299 F N 0.929 120.754 119.950 -0.208 0.000 2.091 4299 F HA -0.230 4.304 4.527 0.011 0.000 0.299 4299 F C 2.041 177.690 175.800 -0.251 0.000 1.103 4299 F CA 1.687 59.561 58.000 -0.210 0.000 1.228 4299 F CB -0.320 38.559 39.000 -0.202 0.000 0.984 4299 F HN -0.018 nan 8.300 nan 0.000 0.477 4300 V N -2.963 116.665 119.914 -0.476 0.000 2.992 4300 V HA 0.056 4.183 4.120 0.010 0.000 0.250 4300 V C 1.797 177.731 176.094 -0.266 0.000 1.090 4300 V CA 1.572 63.590 62.300 -0.471 0.000 1.101 4300 V CB -0.845 30.708 31.823 -0.450 0.000 0.743 4300 V HN 0.486 nan 8.190 nan 0.000 0.468 4301 T N -4.021 110.402 114.554 -0.219 0.000 2.985 4301 T HA 0.488 4.844 4.350 0.010 0.000 0.254 4301 T C 1.699 176.326 174.700 -0.121 0.000 1.021 4301 T CA 1.120 63.144 62.100 -0.127 0.000 0.957 4301 T CB 0.675 69.503 68.868 -0.067 0.000 1.047 4301 T HN 1.515 nan 8.240 nan 0.000 0.511 4302 G N 0.086 108.814 108.800 -0.120 0.000 2.213 4302 G HA2 -0.168 3.798 3.960 0.010 0.000 0.236 4302 G HA3 -0.168 3.798 3.960 0.010 0.000 0.236 4302 G C 0.180 175.067 174.900 -0.022 0.000 0.991 4302 G CA 0.283 45.338 45.100 -0.075 0.000 0.629 4302 G HN 0.951 nan 8.290 nan 0.000 0.517 4303 T N -1.038 113.493 114.554 -0.039 0.000 2.816 4303 T HA 0.584 4.940 4.350 0.010 0.000 0.299 4303 T C 0.994 175.681 174.700 -0.022 0.000 1.230 4303 T CA 0.907 62.997 62.100 -0.017 0.000 1.007 4303 T CB 1.355 70.150 68.868 -0.122 0.000 1.289 4303 T HN 0.927 nan 8.240 nan 0.000 0.508 4304 S N 0.740 116.460 115.700 0.033 0.000 2.597 4304 S HA 0.284 4.760 4.470 0.010 0.000 0.224 4304 S C 0.477 175.096 174.600 0.032 0.000 0.955 4304 S CA -0.302 57.935 58.200 0.063 0.000 0.933 4304 S CB -0.211 63.053 63.200 0.107 0.000 0.788 4304 S HN 0.543 nan 8.310 nan 0.000 0.488 4305 K N 2.291 122.579 120.400 -0.187 0.000 2.316 4305 K HA 0.329 4.655 4.320 0.010 0.000 0.289 4305 K C -0.796 175.725 176.600 -0.132 0.000 1.070 4305 K CA -0.345 55.778 56.287 -0.274 0.000 0.928 4305 K CB 0.700 32.751 32.500 -0.748 0.000 1.039 4305 K HN 0.080 nan 8.250 nan 0.000 0.480 4306 V N 7.025 126.888 119.914 -0.085 0.000 2.583 4306 V HA 0.154 4.281 4.120 0.010 0.000 0.287 4306 V C -1.954 174.009 176.094 -0.220 0.000 1.051 4306 V CA -1.577 60.613 62.300 -0.182 0.000 1.010 4306 V CB 0.831 32.542 31.823 -0.186 0.000 0.988 4306 V HN 0.820 nan 8.190 nan 0.000 0.478 4307 P HA 0.144 nan 4.420 nan 0.000 0.271 4307 P C 0.696 177.893 177.300 -0.171 0.000 1.218 4307 P CA -0.497 62.492 63.100 -0.186 0.000 0.780 4307 P CB 0.658 32.264 31.700 -0.157 0.000 0.901 4308 L N 2.636 123.798 121.223 -0.102 0.000 2.021 4308 L HA -0.242 4.104 4.340 0.010 0.000 0.215 4308 L C 1.640 178.463 176.870 -0.079 0.000 1.074 4308 L CA 2.092 56.888 54.840 -0.074 0.000 0.760 4308 L CB -0.949 41.084 42.059 -0.043 0.000 0.889 4308 L HN 0.450 nan 8.230 nan 0.000 0.433 4309 Q N -0.790 118.964 119.800 -0.077 0.000 2.280 4309 Q HA 0.345 4.691 4.340 0.010 0.000 0.202 4309 Q C 0.709 176.660 176.000 -0.081 0.000 0.903 4309 Q CA 0.323 56.091 55.803 -0.059 0.000 0.948 4309 Q CB 0.106 28.825 28.738 -0.032 0.000 1.058 4309 Q HN 0.633 nan 8.270 nan 0.000 0.493 4310 G N 0.096 108.795 108.800 -0.167 0.000 2.728 4310 G HA2 -0.302 3.664 3.960 0.010 0.000 0.294 4310 G HA3 -0.302 3.664 3.960 0.010 0.000 0.294 4310 G C -0.081 174.671 174.900 -0.245 0.000 1.342 4310 G CA -0.563 44.384 45.100 -0.254 0.000 0.866 4310 G HN 0.300 nan 8.290 nan 0.000 0.534 4311 F N 1.197 121.180 119.950 0.056 0.000 2.502 4311 F HA 0.204 4.737 4.527 0.010 0.000 0.298 4311 F C 2.938 178.785 175.800 0.079 0.000 1.111 4311 F CA 1.460 59.506 58.000 0.077 0.000 1.445 4311 F CB -0.134 38.935 39.000 0.114 0.000 1.081 4311 F HN 0.660 nan 8.300 nan 0.000 0.558 4312 A N 0.046 122.976 122.820 0.183 0.000 2.125 4312 A HA 0.039 4.365 4.320 0.010 0.000 0.219 4312 A C 2.055 179.693 177.584 0.091 0.000 1.156 4312 A CA 1.527 53.640 52.037 0.125 0.000 0.671 4312 A CB -0.732 18.317 19.000 0.082 0.000 0.794 4312 A HN 0.271 nan 8.150 nan 0.000 0.459 4313 A N -1.051 121.808 122.820 0.066 0.000 2.503 4313 A HA 0.522 4.848 4.320 0.010 0.000 0.263 4313 A C 0.525 178.135 177.584 0.043 0.000 1.258 4313 A CA -0.447 51.611 52.037 0.036 0.000 0.936 4313 A CB -0.133 18.865 19.000 -0.003 0.000 1.070 4313 A HN 0.357 nan 8.150 nan 0.000 0.522 4314 L N 1.316 122.599 121.223 0.100 0.000 2.525 4314 L HA 0.041 4.387 4.340 0.010 0.000 0.278 4314 L C 0.179 177.095 176.870 0.076 0.000 1.218 4314 L CA 0.694 55.602 54.840 0.113 0.000 0.878 4314 L CB 0.431 42.620 42.059 0.218 0.000 1.127 4314 L HN 0.432 nan 8.230 nan 0.000 0.492 4315 E N 1.556 121.779 120.200 0.039 0.000 2.227 4315 E HA 0.424 4.780 4.350 0.010 0.000 0.268 4315 E C 0.003 176.602 176.600 -0.002 0.000 0.907 4315 E CA -0.489 55.923 56.400 0.019 0.000 0.786 4315 E CB 2.035 31.733 29.700 -0.003 0.000 1.191 4315 E HN 0.723 nan 8.360 nan 0.000 0.411 4316 G N 0.672 109.471 108.800 -0.001 0.000 2.882 4316 G HA2 0.116 4.082 3.960 0.010 0.000 0.164 4316 G HA3 0.116 4.082 3.960 0.010 0.000 0.164 4316 G C 0.636 175.499 174.900 -0.062 0.000 1.429 4316 G CA -0.132 44.937 45.100 -0.051 0.000 1.059 4316 G HN 0.486 nan 8.290 nan 0.000 0.581 4317 M N -0.136 119.422 119.600 -0.069 0.000 2.064 4317 M HA 0.096 4.582 4.480 0.010 0.000 0.260 4317 M C 0.626 176.931 176.300 0.008 0.000 1.073 4317 M CA 1.318 56.602 55.300 -0.027 0.000 1.124 4317 M CB -0.151 32.460 32.600 0.019 0.000 1.326 4317 M HN 0.304 nan 8.290 nan 0.000 0.410 4318 N N 0.683 119.401 118.700 0.030 0.000 2.699 4318 N HA 0.467 5.213 4.740 0.010 0.000 0.317 4318 N C -0.247 175.281 175.510 0.030 0.000 1.661 4318 N CA 0.652 53.721 53.050 0.032 0.000 0.979 4318 N CB 0.462 38.976 38.487 0.045 0.000 1.329 4318 N HN 0.549 nan 8.380 nan 0.000 0.497 4319 G N -0.109 108.704 108.800 0.022 0.000 2.352 4319 G HA2 -0.125 3.841 3.960 0.010 0.000 0.324 4319 G HA3 -0.125 3.841 3.960 0.010 0.000 0.324 4319 G C -0.814 174.105 174.900 0.032 0.000 1.249 4319 G CA -1.045 44.069 45.100 0.025 0.000 1.053 4319 G HN 0.162 nan 8.290 nan 0.000 0.492 4320 I N 0.836 121.429 120.570 0.038 0.000 2.692 4320 I HA 0.368 4.544 4.170 0.010 0.000 0.284 4320 I C 0.557 176.714 176.117 0.067 0.000 1.159 4320 I CA 0.723 62.053 61.300 0.050 0.000 1.423 4320 I CB 1.305 39.336 38.000 0.051 0.000 1.380 4320 I HN 0.608 nan 8.210 nan 0.000 0.580 4321 Q N 6.465 126.314 119.800 0.081 0.000 2.650 4321 Q HA 0.277 4.623 4.340 0.010 0.000 0.239 4321 Q C -1.293 174.785 176.000 0.129 0.000 0.893 4321 Q CA -0.617 55.248 55.803 0.103 0.000 0.755 4321 Q CB 1.015 29.815 28.738 0.103 0.000 1.349 4321 Q HN 0.412 nan 8.270 nan 0.000 0.461 4322 K N 2.004 122.485 120.400 0.135 0.000 2.319 4322 K HA 0.133 4.459 4.320 0.010 0.000 0.265 4322 K C -0.076 176.647 176.600 0.205 0.000 1.000 4322 K CA -0.407 55.983 56.287 0.172 0.000 0.943 4322 K CB 0.378 32.958 32.500 0.133 0.000 0.950 4322 K HN 0.546 nan 8.250 nan 0.000 0.485 4323 F N 3.447 123.452 119.950 0.090 0.000 2.623 4323 F HA -0.106 4.427 4.527 0.011 0.000 0.383 4323 F C -0.040 175.784 175.800 0.041 0.000 1.077 4323 F CA 0.315 58.354 58.000 0.064 0.000 1.268 4323 F CB 0.094 39.135 39.000 0.069 0.000 1.053 4323 F HN 0.370 nan 8.300 nan 0.000 0.571 4324 Q N 6.502 126.020 119.800 -0.470 0.000 2.305 4324 Q HA 0.666 5.012 4.340 0.010 0.000 0.271 4324 Q C -1.732 174.009 176.000 -0.432 0.000 1.046 4324 Q CA -0.919 54.648 55.803 -0.394 0.000 0.798 4324 Q CB 2.149 30.927 28.738 0.066 0.000 1.286 4324 Q HN 0.679 nan 8.270 nan 0.000 0.435 4325 I N 2.764 123.106 120.570 -0.379 0.000 2.378 4325 I HA 0.403 4.579 4.170 0.010 0.000 0.291 4325 I C -0.321 175.930 176.117 0.223 0.000 0.992 4325 I CA -0.787 60.435 61.300 -0.131 0.000 1.154 4325 I CB 1.292 39.122 38.000 -0.283 0.000 1.315 4325 I HN 0.597 nan 8.210 nan 0.000 0.448 4326 H N 5.133 124.253 119.070 0.084 0.000 2.492 4326 H HA 0.362 4.924 4.556 0.010 0.000 0.345 4326 H C -0.437 174.924 175.328 0.054 0.000 1.136 4326 H CA -0.965 55.135 56.048 0.087 0.000 1.202 4326 H CB 2.333 32.097 29.762 0.003 0.000 1.524 4326 H HN 0.477 nan 8.280 nan 0.000 0.506 4327 R N 2.155 122.568 120.500 -0.146 0.000 2.401 4327 R HA -0.035 4.311 4.340 0.010 0.000 0.299 4327 R C -0.683 175.530 176.300 -0.145 0.000 1.064 4327 R CA -0.256 55.551 56.100 -0.487 0.000 1.000 4327 R CB 0.319 29.962 30.300 -1.095 0.000 0.973 4327 R HN 0.530 nan 8.270 nan 0.000 0.438 4328 D N 2.996 123.358 120.400 -0.064 0.000 2.317 4328 D HA 0.066 4.712 4.640 0.010 0.000 0.234 4328 D C -0.418 175.846 176.300 -0.060 0.000 1.112 4328 D CA -0.333 53.650 54.000 -0.027 0.000 0.840 4328 D CB 1.264 42.068 40.800 0.007 0.000 1.078 4328 D HN 0.533 nan 8.370 nan 0.000 0.486 4329 D N 3.053 123.422 120.400 -0.052 0.000 2.328 4329 D HA 0.035 4.681 4.640 0.010 0.000 0.226 4329 D C 0.781 177.068 176.300 -0.022 0.000 1.066 4329 D CA 0.118 54.089 54.000 -0.049 0.000 0.861 4329 D CB 0.655 41.425 40.800 -0.050 0.000 0.912 4329 D HN 0.328 nan 8.370 nan 0.000 0.521 4330 R N 0.267 120.762 120.500 -0.009 0.000 2.697 4330 R HA 0.215 4.561 4.340 0.010 0.000 0.262 4330 R C 0.740 177.047 176.300 0.013 0.000 1.255 4330 R CA -0.422 55.683 56.100 0.009 0.000 1.136 4330 R CB 0.186 30.500 30.300 0.023 0.000 1.169 4330 R HN -0.128 nan 8.270 nan 0.000 0.594 4331 S N 0.126 115.844 115.700 0.031 0.000 2.558 4331 S HA -0.067 4.409 4.470 0.010 0.000 0.288 4331 S C 1.179 175.815 174.600 0.060 0.000 1.318 4331 S CA -0.024 58.204 58.200 0.046 0.000 1.056 4331 S CB 0.476 63.710 63.200 0.057 0.000 0.853 4331 S HN 0.667 nan 8.310 nan 0.000 0.505 4332 T N 1.166 115.767 114.554 0.079 0.000 3.227 4332 T HA 0.058 4.414 4.350 0.010 0.000 0.257 4332 T C 0.570 175.430 174.700 0.266 0.000 1.162 4332 T CA 0.475 62.661 62.100 0.143 0.000 1.051 4332 T CB -0.247 68.731 68.868 0.184 0.000 0.953 4332 T HN 0.571 nan 8.240 nan 0.000 0.535 4333 D N 1.241 121.746 120.400 0.174 0.000 2.289 4333 D HA 0.075 4.721 4.640 0.010 0.000 0.207 4333 D C 1.104 177.505 176.300 0.167 0.000 0.966 4333 D CA 0.350 54.444 54.000 0.156 0.000 0.868 4333 D CB 0.051 40.911 40.800 0.101 0.000 0.943 4333 D HN 0.524 nan 8.370 nan 0.000 0.514 4334 R N 0.563 121.167 120.500 0.173 0.000 2.641 4334 R HA 0.351 4.697 4.340 0.010 0.000 0.269 4334 R C 0.423 176.870 176.300 0.245 0.000 1.074 4334 R CA -0.422 55.775 56.100 0.161 0.000 1.133 4334 R CB 1.016 31.390 30.300 0.123 0.000 1.029 4334 R HN -0.006 nan 8.270 nan 0.000 0.488 4335 L N 2.576 123.911 121.223 0.187 0.000 2.453 4335 L HA 0.263 4.609 4.340 0.010 0.000 0.261 4335 L C -1.853 175.182 176.870 0.273 0.000 1.179 4335 L CA -2.091 52.875 54.840 0.210 0.000 0.813 4335 L CB 0.189 42.305 42.059 0.094 0.000 1.110 4335 L HN 0.301 nan 8.230 nan 0.000 0.466 4336 P HA 0.058 nan 4.420 nan 0.000 0.269 4336 P C -1.008 176.501 177.300 0.348 0.000 1.217 4336 P CA -0.254 63.050 63.100 0.342 0.000 0.783 4336 P CB 0.669 32.629 31.700 0.434 0.000 0.898 4337 S N -0.326 115.518 115.700 0.240 0.000 2.671 4337 S HA 0.899 5.375 4.470 0.010 0.000 0.299 4337 S C -1.077 173.414 174.600 -0.182 0.000 1.116 4337 S CA -0.921 57.347 58.200 0.113 0.000 0.912 4337 S CB 1.943 65.134 63.200 -0.014 0.000 1.130 4337 S HN 0.575 nan 8.310 nan 0.000 0.501 4338 A N 0.487 122.994 122.820 -0.521 0.000 2.435 4338 A HA 0.763 5.089 4.320 0.010 0.000 0.304 4338 A C -1.420 175.750 177.584 -0.690 0.000 1.064 4338 A CA -0.824 50.795 52.037 -0.698 0.000 0.727 4338 A CB 0.774 19.050 19.000 -1.208 0.000 1.284 4338 A HN 0.970 nan 8.150 nan 0.000 0.415 4339 H N 1.405 120.369 119.070 -0.176 0.000 2.645 4339 H HA 0.264 4.827 4.556 0.010 0.000 0.257 4339 H C 1.191 176.411 175.328 -0.180 0.000 1.269 4339 H CA 0.186 56.171 56.048 -0.105 0.000 1.409 4339 H CB 1.201 30.994 29.762 0.051 0.000 1.434 4339 H HN 0.772 nan 8.280 nan 0.000 0.505 4340 T N -2.329 112.114 114.554 -0.186 0.000 2.929 4340 T HA -0.234 4.122 4.350 0.010 0.000 0.271 4340 T C 2.202 176.710 174.700 -0.320 0.000 1.085 4340 T CA 1.030 62.995 62.100 -0.226 0.000 1.125 4340 T CB -0.479 68.261 68.868 -0.213 0.000 0.874 4340 T HN 0.648 nan 8.240 nan 0.000 0.494 4341 C N 0.645 119.596 119.300 -0.583 0.000 2.410 4341 C HA 0.105 4.571 4.460 0.010 0.000 0.281 4341 C C 1.453 175.852 174.990 -0.984 0.000 1.318 4341 C CA 0.226 58.665 59.018 -0.966 0.000 1.776 4341 C CB -1.724 24.943 27.740 -1.788 0.000 1.942 4341 C HN 0.668 nan 8.230 nan 0.000 0.508 4342 F N 0.452 120.263 119.950 -0.231 0.000 2.698 4342 F HA 0.357 4.890 4.527 0.010 0.000 0.304 4342 F C 0.836 176.601 175.800 -0.059 0.000 1.108 4342 F CA -0.307 57.611 58.000 -0.136 0.000 1.263 4342 F CB -0.603 38.302 39.000 -0.158 0.000 1.013 4342 F HN -0.012 nan 8.300 nan 0.000 0.532 4343 N N 2.078 120.804 118.700 0.043 0.000 2.714 4343 N HA -0.265 4.481 4.740 0.010 0.000 0.252 4343 N C -0.125 175.496 175.510 0.186 0.000 1.014 4343 N CA 0.703 53.818 53.050 0.108 0.000 0.735 4343 N CB -0.979 37.606 38.487 0.164 0.000 0.924 4343 N HN 0.613 nan 8.380 nan 0.000 0.540 4344 Q N 0.397 120.256 119.800 0.098 0.000 2.316 4344 Q HA 0.539 4.885 4.340 0.010 0.000 0.264 4344 Q C -1.116 174.884 176.000 0.000 0.000 0.987 4344 Q CA -0.853 54.976 55.803 0.043 0.000 0.852 4344 Q CB 1.269 30.002 28.738 -0.008 0.000 1.287 4344 Q HN 0.283 nan 8.270 nan 0.000 0.448 4345 L N 3.921 125.161 121.223 0.028 0.000 2.296 4345 L HA 0.474 4.820 4.340 0.010 0.000 0.286 4345 L C -1.455 175.449 176.870 0.055 0.000 1.023 4345 L CA -0.100 54.778 54.840 0.063 0.000 0.812 4345 L CB 1.578 43.770 42.059 0.222 0.000 1.223 4345 L HN 0.582 nan 8.230 nan 0.000 0.421 4346 D N 5.103 125.531 120.400 0.047 0.000 2.329 4346 D HA 0.387 5.033 4.640 0.010 0.000 0.232 4346 D C -0.966 175.415 176.300 0.136 0.000 1.088 4346 D CA 0.174 54.226 54.000 0.086 0.000 0.835 4346 D CB 1.695 42.520 40.800 0.043 0.000 1.078 4346 D HN 0.362 nan 8.370 nan 0.000 0.495 4347 L N 5.034 126.359 121.223 0.170 0.000 2.345 4347 L HA 0.462 4.808 4.340 0.010 0.000 0.274 4347 L C -2.675 174.236 176.870 0.068 0.000 0.999 4347 L CA -1.924 53.020 54.840 0.173 0.000 0.849 4347 L CB 1.689 43.875 42.059 0.213 0.000 1.220 4347 L HN 0.059 nan 8.230 nan 0.000 0.422 4348 P HA 0.086 nan 4.420 nan 0.000 0.269 4348 P C -0.788 176.277 177.300 -0.392 0.000 1.217 4348 P CA -0.118 62.757 63.100 -0.374 0.000 0.783 4348 P CB 0.578 31.903 31.700 -0.626 0.000 0.898 4349 A N 2.858 125.591 122.820 -0.145 0.000 3.037 4349 A HA 0.153 4.479 4.320 0.010 0.000 0.272 4349 A C -0.268 177.362 177.584 0.076 0.000 1.723 4349 A CA -0.161 51.906 52.037 0.050 0.000 1.413 4349 A CB -1.755 17.293 19.000 0.081 0.000 1.112 4349 A HN 0.441 nan 8.150 nan 0.000 0.606 4350 Y N -0.072 120.387 120.300 0.265 0.000 2.511 4350 Y HA 0.055 4.611 4.550 0.011 0.000 0.347 4350 Y C 1.358 177.472 175.900 0.357 0.000 1.257 4350 Y CA 0.070 58.323 58.100 0.254 0.000 1.469 4350 Y CB 0.636 39.228 38.460 0.220 0.000 1.353 4350 Y HN 0.635 nan 8.280 nan 0.000 0.617 4351 E N 0.146 120.616 120.200 0.448 0.000 2.400 4351 E HA 0.036 4.392 4.350 0.010 0.000 0.195 4351 E C -0.246 176.553 176.600 0.332 0.000 1.012 4351 E CA 0.358 56.972 56.400 0.358 0.000 0.875 4351 E CB 0.382 30.213 29.700 0.218 0.000 0.859 4351 E HN 0.461 nan 8.360 nan 0.000 0.498 4352 S N -1.654 114.083 115.700 0.061 0.000 2.570 4352 S HA 0.261 4.737 4.470 0.010 0.000 0.270 4352 S C 0.203 174.171 174.600 -1.052 0.000 1.149 4352 S CA -0.938 56.978 58.200 -0.472 0.000 0.837 4352 S CB 0.421 63.495 63.200 -0.211 0.000 1.124 4352 S HN 0.061 nan 8.310 nan 0.000 0.465 4353 F N 1.876 120.751 119.950 -1.792 0.000 2.095 4353 F HA -0.062 4.471 4.527 0.010 0.000 0.298 4353 F C 2.276 177.732 175.800 -0.574 0.000 1.104 4353 F CA 2.110 59.269 58.000 -1.402 0.000 1.232 4353 F CB -0.117 38.169 39.000 -1.190 0.000 0.987 4353 F HN 0.707 nan 8.300 nan 0.000 0.475 4354 E N 0.661 120.578 120.200 -0.472 0.000 2.110 4354 E HA -0.241 4.115 4.350 0.010 0.000 0.193 4354 E C 2.174 178.550 176.600 -0.374 0.000 0.988 4354 E CA 1.184 57.352 56.400 -0.386 0.000 0.804 4354 E CB -0.476 29.130 29.700 -0.157 0.000 0.745 4354 E HN 0.497 nan 8.360 nan 0.000 0.458 4355 K N 0.785 120.992 120.400 -0.322 0.000 2.025 4355 K HA -0.101 4.225 4.320 0.010 0.000 0.207 4355 K C 2.397 178.745 176.600 -0.421 0.000 1.049 4355 K CA 0.730 56.855 56.287 -0.269 0.000 0.933 4355 K CB -0.210 32.181 32.500 -0.182 0.000 0.714 4355 K HN 0.052 nan 8.250 nan 0.000 0.438 4356 L N 1.242 122.212 121.223 -0.422 0.000 2.012 4356 L HA -0.245 4.101 4.340 0.010 0.000 0.210 4356 L C 2.747 179.420 176.870 -0.328 0.000 1.073 4356 L CA 1.563 56.205 54.840 -0.329 0.000 0.748 4356 L CB -0.343 41.751 42.059 0.058 0.000 0.891 4356 L HN 0.196 nan 8.230 nan 0.000 0.431 4357 R N -1.236 118.963 120.500 -0.502 0.000 2.070 4357 R HA -0.259 4.087 4.340 0.010 0.000 0.233 4357 R C 2.520 178.744 176.300 -0.128 0.000 1.137 4357 R CA 1.942 57.825 56.100 -0.363 0.000 0.945 4357 R CB -0.719 29.209 30.300 -0.621 0.000 0.845 4357 R HN 0.619 nan 8.270 nan 0.000 0.430 4358 H N -0.105 118.808 119.070 -0.262 0.000 2.319 4358 H HA -0.154 4.408 4.556 0.010 0.000 0.297 4358 H C 1.918 177.134 175.328 -0.186 0.000 1.097 4358 H CA 2.088 58.021 56.048 -0.193 0.000 1.285 4358 H CB 0.141 29.786 29.762 -0.195 0.000 1.368 4358 H HN 0.178 nan 8.280 nan 0.000 0.495 4359 M N 0.287 119.660 119.600 -0.378 0.000 2.117 4359 M HA -0.135 4.351 4.480 0.010 0.000 0.262 4359 M C 2.596 178.764 176.300 -0.219 0.000 1.065 4359 M CA 0.708 55.772 55.300 -0.393 0.000 1.114 4359 M CB -1.176 31.080 32.600 -0.573 0.000 1.361 4359 M HN 0.304 nan 8.290 nan 0.000 0.408 4360 L N 0.493 121.658 121.223 -0.096 0.000 2.017 4360 L HA -0.113 4.233 4.340 0.010 0.000 0.208 4360 L C 2.220 179.050 176.870 -0.068 0.000 1.073 4360 L CA 1.616 56.487 54.840 0.053 0.000 0.745 4360 L CB -0.920 41.272 42.059 0.223 0.000 0.894 4360 L HN 0.212 nan 8.230 nan 0.000 0.432 4361 L N -1.285 119.863 121.223 -0.125 0.000 2.042 4361 L HA -0.275 4.071 4.340 0.010 0.000 0.210 4361 L C 2.560 179.237 176.870 -0.321 0.000 1.076 4361 L CA 1.525 56.163 54.840 -0.337 0.000 0.749 4361 L CB -0.356 41.505 42.059 -0.329 0.000 0.893 4361 L HN 0.356 nan 8.230 nan 0.000 0.432 4362 L N -0.791 120.232 121.223 -0.333 0.000 2.012 4362 L HA -0.242 4.104 4.340 0.010 0.000 0.210 4362 L C 2.831 179.539 176.870 -0.270 0.000 1.073 4362 L CA 1.379 56.040 54.840 -0.297 0.000 0.748 4362 L CB -0.748 41.104 42.059 -0.345 0.000 0.891 4362 L HN 0.281 nan 8.230 nan 0.000 0.431 4363 A N -0.021 122.616 122.820 -0.304 0.000 1.940 4363 A HA -0.190 4.136 4.320 0.010 0.000 0.219 4363 A C 2.177 179.316 177.584 -0.741 0.000 1.176 4363 A CA 1.652 53.425 52.037 -0.439 0.000 0.631 4363 A CB -0.579 18.163 19.000 -0.429 0.000 0.814 4363 A HN 0.392 nan 8.150 nan 0.000 0.446 4364 I N -1.281 118.915 120.570 -0.624 0.000 2.277 4364 I HA -0.193 3.983 4.170 0.010 0.000 0.243 4364 I C 2.525 178.468 176.117 -0.290 0.000 1.094 4364 I CA 1.029 62.011 61.300 -0.528 0.000 1.393 4364 I CB -0.264 37.567 38.000 -0.280 0.000 1.078 4364 I HN 0.367 nan 8.210 nan 0.000 0.417 4365 Q N 0.779 120.429 119.800 -0.250 0.000 2.472 4365 Q HA -0.101 4.245 4.340 0.010 0.000 0.208 4365 Q C 0.466 176.399 176.000 -0.112 0.000 0.958 4365 Q CA 0.178 55.882 55.803 -0.164 0.000 0.932 4365 Q CB 0.050 28.691 28.738 -0.162 0.000 1.007 4365 Q HN 0.542 nan 8.270 nan 0.000 0.508 4366 E N 0.000 120.124 120.200 -0.126 0.000 2.725 4366 E HA 0.000 4.356 4.350 0.010 0.000 0.291 4366 E CA 0.000 56.358 56.400 -0.070 0.000 0.976 4366 E CB 0.000 29.660 29.700 -0.067 0.000 0.812 4366 E HN 0.000 nan 8.360 nan 0.000 0.440