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 2vq3_1_B DATA FIRST_RESID 29 DATA SEQUENCE PKVGILGSGD FARSLATRLV GSGFKVVVGS RNPKRTARLF PSAAQVTFQE DATA SEQUENCE EAVSSPEVIF VAVFREHYSS LCSLSDQLAG KILVDVSNPT EQEHLQHRES DATA SEQUENCE NAEYLASLFP TCTVVKAFNV ISAWTLQAGP RDGNRQVPIC GDQPEAKRAV DATA SEQUENCE SEMALAMGFM PVDMGSLASA WEVEAMPLRL 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 29 P HA 0.000 nan 4.420 nan 0.000 0.216 29 P C 0.000 177.396 177.300 0.159 0.000 1.155 29 P CA 0.000 63.212 63.100 0.187 0.000 0.800 29 P CB 0.000 31.751 31.700 0.085 0.000 0.726 30 K N 0.632 121.097 120.400 0.109 0.000 2.211 30 K HA 0.567 4.888 4.320 0.000 0.000 0.275 30 K C -0.778 175.876 176.600 0.090 0.000 1.024 30 K CA -0.480 55.866 56.287 0.098 0.000 0.887 30 K CB 1.084 33.619 32.500 0.059 0.000 1.084 30 K HN 0.269 nan 8.250 nan 0.000 0.463 31 V N 3.510 123.480 119.914 0.093 0.000 2.435 31 V HA 0.544 4.664 4.120 0.000 0.000 0.290 31 V C 0.558 176.691 176.094 0.066 0.000 1.030 31 V CA -0.778 61.563 62.300 0.068 0.000 0.881 31 V CB 1.534 33.366 31.823 0.015 0.000 0.983 31 V HN 0.919 nan 8.190 nan 0.000 0.445 32 G N 4.246 113.088 108.800 0.069 0.000 2.412 32 G HA2 0.743 4.703 3.960 0.000 0.000 0.318 32 G HA3 0.743 4.703 3.960 0.000 0.000 0.318 32 G C -0.921 174.051 174.900 0.119 0.000 1.146 32 G CA -0.474 44.660 45.100 0.057 0.000 0.882 32 G HN 0.608 nan 8.290 nan 0.000 0.501 33 I N 0.827 121.441 120.570 0.072 0.000 2.534 33 I HA 0.270 4.440 4.170 0.000 0.000 0.288 33 I C -0.634 175.507 176.117 0.041 0.000 1.077 33 I CA -0.529 60.827 61.300 0.092 0.000 1.051 33 I CB 2.400 40.439 38.000 0.064 0.000 1.234 33 I HN 0.116 nan 8.210 nan 0.000 0.425 34 L N 5.959 127.208 121.223 0.044 0.000 2.265 34 L HA 0.837 5.177 4.340 0.000 0.000 0.289 34 L C 0.445 177.345 176.870 0.049 0.000 1.033 34 L CA -0.145 54.706 54.840 0.018 0.000 0.814 34 L CB 1.222 43.274 42.059 -0.011 0.000 1.203 34 L HN 0.914 nan 8.230 nan 0.000 0.423 35 G N 1.907 110.728 108.800 0.036 0.000 2.392 35 G HA2 -0.049 3.911 3.960 0.000 0.000 0.677 35 G HA3 -0.049 3.911 3.960 0.000 0.000 0.677 35 G C -0.242 174.716 174.900 0.097 0.000 1.334 35 G CA -0.303 44.837 45.100 0.068 0.000 0.961 35 G HN 0.436 nan 8.290 nan 0.000 0.616 36 S N -0.516 115.269 115.700 0.141 0.000 2.787 36 S HA 0.485 4.955 4.470 0.000 0.000 0.255 36 S C 1.162 175.954 174.600 0.321 0.000 1.051 36 S CA 0.734 59.056 58.200 0.204 0.000 1.124 36 S CB 0.906 64.145 63.200 0.065 0.000 1.104 36 S HN 1.441 nan 8.310 nan 0.000 0.623 37 G N 1.509 110.447 108.800 0.230 0.000 2.509 37 G HA2 0.296 4.256 3.960 0.000 0.000 0.269 37 G HA3 0.296 4.256 3.960 0.000 0.000 0.269 37 G C 0.125 175.104 174.900 0.131 0.000 1.416 37 G CA -0.221 44.990 45.100 0.184 0.000 1.052 37 G HN 0.055 nan 8.290 nan 0.000 0.542 38 D N -0.938 119.534 120.400 0.119 0.000 2.123 38 D HA -0.125 4.515 4.640 0.000 0.000 0.196 38 D C 1.956 178.290 176.300 0.056 0.000 0.992 38 D CA 0.985 55.028 54.000 0.072 0.000 0.833 38 D CB -0.174 40.696 40.800 0.117 0.000 0.954 38 D HN 0.212 nan 8.370 nan 0.000 0.455 39 F N 1.390 121.324 119.950 -0.027 0.000 2.113 39 F HA -0.075 4.452 4.527 0.000 0.000 0.297 39 F C 2.302 178.042 175.800 -0.100 0.000 1.103 39 F CA 1.265 59.225 58.000 -0.066 0.000 1.248 39 F CB -0.359 38.598 39.000 -0.072 0.000 0.999 39 F HN -0.073 nan 8.300 nan 0.000 0.475 40 A N 0.390 123.276 122.820 0.111 0.000 1.903 40 A HA -0.314 4.006 4.320 0.000 0.000 0.219 40 A C 2.365 179.879 177.584 -0.116 0.000 1.191 40 A CA 2.287 54.374 52.037 0.083 0.000 0.638 40 A CB -0.961 18.207 19.000 0.280 0.000 0.823 40 A HN 0.466 nan 8.150 nan 0.000 0.451 41 R N -0.708 119.603 120.500 -0.315 0.000 2.090 41 R HA -0.048 4.292 4.340 0.000 0.000 0.228 41 R C 2.262 178.245 176.300 -0.528 0.000 1.110 41 R CA 1.497 57.074 56.100 -0.873 0.000 0.973 41 R CB -0.204 29.540 30.300 -0.926 0.000 0.869 41 R HN 0.514 nan 8.270 nan 0.000 0.440 42 S N 1.233 116.694 115.700 -0.398 0.000 2.368 42 S HA -0.121 4.349 4.470 0.000 0.000 0.224 42 S C 1.693 176.018 174.600 -0.458 0.000 1.029 42 S CA 0.859 58.833 58.200 -0.376 0.000 0.988 42 S CB -0.288 62.717 63.200 -0.325 0.000 0.838 42 S HN 0.241 nan 8.310 nan 0.000 0.462 43 L N 2.341 123.199 121.223 -0.608 0.000 2.012 43 L HA -0.046 4.294 4.340 0.000 0.000 0.210 43 L C 2.384 178.985 176.870 -0.448 0.000 1.073 43 L CA 1.939 56.386 54.840 -0.656 0.000 0.748 43 L CB -1.268 40.310 42.059 -0.800 0.000 0.891 43 L HN 0.256 nan 8.230 nan 0.000 0.431 44 A N -1.688 120.943 122.820 -0.315 0.000 1.908 44 A HA -0.228 4.092 4.320 0.000 0.000 0.218 44 A C 2.256 179.744 177.584 -0.160 0.000 1.181 44 A CA 2.414 54.353 52.037 -0.164 0.000 0.627 44 A CB -1.238 17.763 19.000 0.001 0.000 0.818 44 A HN 0.529 nan 8.150 nan 0.000 0.445 45 T N -0.763 113.662 114.554 -0.215 0.000 2.708 45 T HA -0.147 4.203 4.350 0.000 0.000 0.266 45 T C 2.133 176.745 174.700 -0.147 0.000 1.037 45 T CA 1.758 63.756 62.100 -0.170 0.000 1.146 45 T CB -0.214 68.537 68.868 -0.195 0.000 0.865 45 T HN 0.474 nan 8.240 nan 0.000 0.435 46 R N 0.949 121.336 120.500 -0.189 0.000 2.075 46 R HA 0.128 4.468 4.340 0.000 0.000 0.232 46 R C 2.277 178.536 176.300 -0.069 0.000 1.126 46 R CA 1.218 57.234 56.100 -0.139 0.000 0.963 46 R CB -0.969 29.239 30.300 -0.154 0.000 0.858 46 R HN 0.378 nan 8.270 nan 0.000 0.435 47 L N -0.564 120.590 121.223 -0.115 0.000 2.012 47 L HA -0.192 4.148 4.340 0.000 0.000 0.210 47 L C 2.289 179.248 176.870 0.148 0.000 1.073 47 L CA 1.314 56.155 54.840 0.001 0.000 0.748 47 L CB -0.539 41.424 42.059 -0.160 0.000 0.891 47 L HN 0.047 nan 8.230 nan 0.000 0.431 48 V N 0.112 120.053 119.914 0.044 0.000 2.343 48 V HA -0.233 3.887 4.120 0.000 0.000 0.247 48 V C 2.500 178.608 176.094 0.024 0.000 1.051 48 V CA 2.033 64.359 62.300 0.043 0.000 1.036 48 V CB -1.193 30.634 31.823 0.008 0.000 0.654 48 V HN 0.602 nan 8.190 nan 0.000 0.451 49 G N -1.090 107.709 108.800 -0.001 0.000 2.559 49 G HA2 -0.136 3.824 3.960 0.000 0.000 0.216 49 G HA3 -0.136 3.824 3.960 0.000 0.000 0.216 49 G C 1.433 176.330 174.900 -0.005 0.000 1.126 49 G CA 0.971 46.060 45.100 -0.019 0.000 0.778 49 G HN 0.551 nan 8.290 nan 0.000 0.543 50 S N -0.420 115.311 115.700 0.051 0.000 2.557 50 S HA 0.401 4.871 4.470 0.000 0.000 0.223 50 S C 1.552 176.111 174.600 -0.069 0.000 0.969 50 S CA 0.420 58.657 58.200 0.061 0.000 0.927 50 S CB 0.483 63.826 63.200 0.238 0.000 0.806 50 S HN 1.065 nan 8.310 nan 0.000 0.489 51 G N 1.287 110.045 108.800 -0.069 0.000 2.132 51 G HA2 -0.247 3.713 3.960 0.000 0.000 0.234 51 G HA3 -0.247 3.713 3.960 0.000 0.000 0.234 51 G C -0.117 174.622 174.900 -0.268 0.000 0.989 51 G CA -0.420 44.575 45.100 -0.175 0.000 0.676 51 G HN 0.438 nan 8.290 nan 0.000 0.522 52 F N 0.831 120.776 119.950 -0.009 0.000 2.379 52 F HA 0.559 5.086 4.527 0.000 0.000 0.332 52 F C 1.108 176.906 175.800 -0.004 0.000 1.096 52 F CA -0.489 57.511 58.000 -0.000 0.000 1.105 52 F CB 1.045 40.048 39.000 0.005 0.000 1.189 52 F HN -0.166 nan 8.300 nan 0.000 0.515 53 K N 1.786 122.301 120.400 0.192 0.000 2.205 53 K HA 0.586 4.907 4.320 0.000 0.000 0.279 53 K C -1.151 175.521 176.600 0.119 0.000 1.027 53 K CA -0.572 55.783 56.287 0.114 0.000 0.932 53 K CB 1.715 34.259 32.500 0.074 0.000 1.032 53 K HN 0.313 nan 8.250 nan 0.000 0.466 54 V N 3.104 123.063 119.914 0.076 0.000 2.588 54 V HA 0.303 4.423 4.120 0.000 0.000 0.304 54 V C -0.832 175.281 176.094 0.033 0.000 1.042 54 V CA -0.950 61.382 62.300 0.053 0.000 0.877 54 V CB 1.913 33.760 31.823 0.040 0.000 0.996 54 V HN 0.508 nan 8.190 nan 0.000 0.425 55 V N 6.224 126.151 119.914 0.021 0.000 2.540 55 V HA 0.706 4.826 4.120 0.000 0.000 0.302 55 V C -0.771 175.310 176.094 -0.021 0.000 1.035 55 V CA -0.252 62.046 62.300 -0.004 0.000 0.873 55 V CB 2.184 34.007 31.823 -0.000 0.000 0.992 55 V HN 0.647 nan 8.190 nan 0.000 0.428 56 V N 5.821 125.691 119.914 -0.074 0.000 2.495 56 V HA 0.702 4.822 4.120 0.000 0.000 0.298 56 V C 0.679 176.685 176.094 -0.147 0.000 1.031 56 V CA -0.139 62.086 62.300 -0.126 0.000 0.871 56 V CB 1.634 33.280 31.823 -0.294 0.000 0.988 56 V HN 1.014 nan 8.190 nan 0.000 0.432 57 G N 2.220 110.960 108.800 -0.099 0.000 2.347 57 G HA2 0.540 4.500 3.960 0.000 0.000 0.314 57 G HA3 0.540 4.500 3.960 0.000 0.000 0.314 57 G C -0.400 174.444 174.900 -0.093 0.000 1.126 57 G CA -0.216 44.836 45.100 -0.079 0.000 0.929 57 G HN 0.709 nan 8.290 nan 0.000 0.441 58 S N 1.614 117.238 115.700 -0.126 0.000 2.548 58 S HA 0.391 4.861 4.470 0.000 0.000 0.286 58 S C 1.256 175.815 174.600 -0.068 0.000 1.098 58 S CA -0.828 57.300 58.200 -0.121 0.000 0.930 58 S CB 1.539 64.610 63.200 -0.215 0.000 1.070 58 S HN 0.586 nan 8.310 nan 0.000 0.480 59 R N 1.698 122.185 120.500 -0.023 0.000 2.148 59 R HA 0.093 4.433 4.340 0.000 0.000 0.227 59 R C 0.186 176.494 176.300 0.013 0.000 1.103 59 R CA 0.739 56.855 56.100 0.027 0.000 0.983 59 R CB -0.036 30.278 30.300 0.024 0.000 0.874 59 R HN 0.466 nan 8.270 nan 0.000 0.451 60 N N -0.110 118.555 118.700 -0.058 0.000 2.791 60 N HA 0.122 4.862 4.740 0.000 0.000 0.265 60 N C -2.219 173.186 175.510 -0.174 0.000 1.580 60 N CA -1.893 51.109 53.050 -0.080 0.000 0.809 60 N CB 1.218 39.687 38.487 -0.030 0.000 1.178 60 N HN -0.132 nan 8.380 nan 0.000 0.499 61 P HA -0.155 nan 4.420 nan 0.000 0.220 61 P C 1.269 178.409 177.300 -0.266 0.000 1.148 61 P CA 0.926 63.798 63.100 -0.380 0.000 0.803 61 P CB 0.785 32.103 31.700 -0.637 0.000 0.782 62 K N 0.485 120.756 120.400 -0.214 0.000 2.002 62 K HA -0.175 4.145 4.320 0.000 0.000 0.209 62 K C 2.537 179.091 176.600 -0.077 0.000 1.048 62 K CA 1.256 57.472 56.287 -0.119 0.000 0.930 62 K CB -0.263 32.196 32.500 -0.068 0.000 0.714 62 K HN -0.143 nan 8.250 nan 0.000 0.438 63 R N -0.110 120.352 120.500 -0.062 0.000 2.066 63 R HA -0.097 4.243 4.340 0.000 0.000 0.232 63 R C 1.927 178.214 176.300 -0.021 0.000 1.131 63 R CA 2.030 58.113 56.100 -0.029 0.000 0.955 63 R CB -0.357 29.933 30.300 -0.016 0.000 0.851 63 R HN 0.220 nan 8.270 nan 0.000 0.432 64 T N 0.695 115.212 114.554 -0.062 0.000 2.821 64 T HA -0.041 4.309 4.350 0.000 0.000 0.267 64 T C 1.786 176.456 174.700 -0.052 0.000 1.046 64 T CA 1.169 63.233 62.100 -0.060 0.000 1.139 64 T CB -0.214 68.537 68.868 -0.195 0.000 0.871 64 T HN 0.444 nan 8.240 nan 0.000 0.454 65 A N 1.965 124.713 122.820 -0.121 0.000 1.940 65 A HA -0.159 4.161 4.320 0.000 0.000 0.219 65 A C 2.330 179.944 177.584 0.050 0.000 1.176 65 A CA 1.425 53.416 52.037 -0.077 0.000 0.631 65 A CB -0.517 18.419 19.000 -0.106 0.000 0.814 65 A HN 0.435 nan 8.150 nan 0.000 0.446 66 R N -1.144 119.380 120.500 0.041 0.000 2.117 66 R HA -0.143 4.197 4.340 0.000 0.000 0.243 66 R C 1.501 177.852 176.300 0.084 0.000 1.143 66 R CA 1.550 57.680 56.100 0.051 0.000 0.968 66 R CB -0.410 29.909 30.300 0.032 0.000 0.863 66 R HN 0.442 nan 8.270 nan 0.000 0.444 67 L N -1.048 120.259 121.223 0.141 0.000 2.416 67 L HA 0.111 4.451 4.340 0.000 0.000 0.216 67 L C 0.406 177.347 176.870 0.119 0.000 1.098 67 L CA 0.591 55.504 54.840 0.121 0.000 0.840 67 L CB -0.119 42.008 42.059 0.115 0.000 0.981 67 L HN -0.095 nan 8.230 nan 0.000 0.462 68 F N 1.376 121.312 119.950 -0.023 0.000 2.410 68 F HA 0.291 4.818 4.527 -0.000 0.000 0.334 68 F C -1.395 174.388 175.800 -0.029 0.000 1.134 68 F CA -2.793 55.189 58.000 -0.031 0.000 1.227 68 F CB -0.384 38.592 39.000 -0.040 0.000 1.194 68 F HN -0.126 nan 8.300 nan 0.000 0.571 69 P HA 0.002 nan 4.420 nan 0.000 0.264 69 P C 0.153 177.494 177.300 0.068 0.000 1.183 69 P CA 0.276 63.393 63.100 0.029 0.000 0.763 69 P CB 0.594 32.286 31.700 -0.014 0.000 0.807 70 S N 2.752 118.476 115.700 0.040 0.000 2.400 70 S HA -0.170 4.300 4.470 0.000 0.000 0.232 70 S C 1.951 176.569 174.600 0.031 0.000 1.025 70 S CA 1.448 59.669 58.200 0.035 0.000 0.993 70 S CB -0.633 62.578 63.200 0.020 0.000 0.808 70 S HN 0.680 nan 8.310 nan 0.000 0.478 71 A N 1.300 124.136 122.820 0.026 0.000 2.067 71 A HA 0.433 4.753 4.320 0.000 0.000 0.219 71 A C 1.201 178.805 177.584 0.033 0.000 1.158 71 A CA 0.816 52.866 52.037 0.023 0.000 0.661 71 A CB -0.588 18.422 19.000 0.016 0.000 0.801 71 A HN 0.520 nan 8.150 nan 0.000 0.452 72 A N -0.063 122.789 122.820 0.053 0.000 2.354 72 A HA 0.496 4.816 4.320 0.000 0.000 0.269 72 A C -0.001 177.599 177.584 0.026 0.000 1.109 72 A CA -0.351 51.723 52.037 0.061 0.000 0.800 72 A CB 0.129 19.211 19.000 0.137 0.000 1.045 72 A HN 0.505 nan 8.150 nan 0.000 0.489 73 Q N 1.482 121.282 119.800 -0.000 0.000 2.390 73 Q HA 0.403 4.743 4.340 0.000 0.000 0.249 73 Q C -1.014 174.934 176.000 -0.086 0.000 0.996 73 Q CA -0.381 55.403 55.803 -0.032 0.000 0.899 73 Q CB 1.486 30.213 28.738 -0.018 0.000 1.216 73 Q HN 0.522 nan 8.270 nan 0.000 0.465 74 V N 2.820 122.648 119.914 -0.143 0.000 2.432 74 V HA 0.426 4.546 4.120 0.000 0.000 0.275 74 V C 0.308 176.257 176.094 -0.242 0.000 1.043 74 V CA -0.070 62.077 62.300 -0.255 0.000 0.925 74 V CB 1.382 32.979 31.823 -0.376 0.000 0.985 74 V HN 0.756 nan 8.190 nan 0.000 0.466 75 T N 3.902 118.308 114.554 -0.248 0.000 2.647 75 T HA 0.629 4.979 4.350 0.000 0.000 0.295 75 T C -0.802 173.722 174.700 -0.294 0.000 1.126 75 T CA -0.494 61.447 62.100 -0.264 0.000 1.040 75 T CB 0.957 69.784 68.868 -0.069 0.000 1.472 75 T HN 0.190 nan 8.240 nan 0.000 0.500 76 F N 1.861 121.780 119.950 -0.051 0.000 2.444 76 F HA 0.318 4.845 4.527 -0.000 0.000 0.331 76 F C 2.235 178.012 175.800 -0.039 0.000 1.167 76 F CA -0.154 57.821 58.000 -0.041 0.000 1.262 76 F CB 0.455 39.438 39.000 -0.028 0.000 1.196 76 F HN 0.637 nan 8.300 nan 0.000 0.583 77 Q N 0.543 120.436 119.800 0.155 0.000 2.030 77 Q HA -0.238 4.102 4.340 0.000 0.000 0.204 77 Q C 1.889 177.928 176.000 0.064 0.000 0.986 77 Q CA 2.117 57.963 55.803 0.072 0.000 0.843 77 Q CB -0.136 28.639 28.738 0.061 0.000 0.904 77 Q HN 0.633 nan 8.270 nan 0.000 0.420 78 E N 0.866 121.114 120.200 0.080 0.000 2.070 78 E HA -0.218 4.132 4.350 0.000 0.000 0.197 78 E C 1.795 178.422 176.600 0.044 0.000 1.004 78 E CA 1.497 57.924 56.400 0.046 0.000 0.805 78 E CB -0.126 29.590 29.700 0.026 0.000 0.744 78 E HN 0.288 nan 8.360 nan 0.000 0.451 79 E N -0.251 119.996 120.200 0.078 0.000 2.285 79 E HA 0.057 4.407 4.350 0.000 0.000 0.194 79 E C 1.725 178.350 176.600 0.041 0.000 0.997 79 E CA 0.920 57.360 56.400 0.066 0.000 0.845 79 E CB -0.160 29.609 29.700 0.114 0.000 0.782 79 E HN 0.298 nan 8.360 nan 0.000 0.491 80 A N 0.399 123.239 122.820 0.032 0.000 2.016 80 A HA -0.067 4.253 4.320 0.000 0.000 0.217 80 A C 2.193 179.773 177.584 -0.006 0.000 1.162 80 A CA 1.253 53.292 52.037 0.003 0.000 0.662 80 A CB -0.351 18.639 19.000 -0.016 0.000 0.812 80 A HN 0.235 nan 8.150 nan 0.000 0.450 81 V N -1.807 118.101 119.914 -0.010 0.000 3.608 81 V HA -0.001 4.119 4.120 0.000 0.000 0.269 81 V C 2.015 178.093 176.094 -0.026 0.000 1.245 81 V CA 1.557 63.839 62.300 -0.031 0.000 1.138 81 V CB -0.581 31.210 31.823 -0.053 0.000 0.841 81 V HN 0.561 nan 8.190 nan 0.000 0.451 82 S N 0.452 116.146 115.700 -0.010 0.000 2.395 82 S HA -0.073 4.397 4.470 0.000 0.000 0.225 82 S C 1.951 176.548 174.600 -0.006 0.000 1.027 82 S CA 1.299 59.495 58.200 -0.007 0.000 0.965 82 S CB -0.408 62.793 63.200 0.001 0.000 0.812 82 S HN 0.554 nan 8.310 nan 0.000 0.482 83 S N 2.881 118.580 115.700 -0.001 0.000 2.348 83 S HA 0.202 4.672 4.470 0.000 0.000 0.219 83 S C -1.748 172.854 174.600 0.003 0.000 1.033 83 S CA 0.090 58.292 58.200 0.004 0.000 0.974 83 S CB -1.099 62.107 63.200 0.011 0.000 0.868 83 S HN 0.473 nan 8.310 nan 0.000 0.459 84 P HA 0.211 nan 4.420 nan 0.000 0.272 84 P C 0.151 177.442 177.300 -0.015 0.000 1.223 84 P CA 0.070 63.171 63.100 0.001 0.000 0.784 84 P CB 0.531 32.231 31.700 0.000 0.000 0.923 85 E N -0.309 119.885 120.200 -0.011 0.000 2.250 85 E HA 0.066 4.416 4.350 0.000 0.000 0.192 85 E C -0.162 176.403 176.600 -0.059 0.000 0.986 85 E CA 0.520 56.905 56.400 -0.026 0.000 0.849 85 E CB 0.312 30.006 29.700 -0.009 0.000 0.797 85 E HN 0.135 nan 8.360 nan 0.000 0.482 86 V N 1.953 121.827 119.914 -0.066 0.000 2.487 86 V HA 0.357 4.477 4.120 0.000 0.000 0.298 86 V C -0.622 175.390 176.094 -0.137 0.000 1.028 86 V CA -0.553 61.664 62.300 -0.138 0.000 0.860 86 V CB 1.742 33.469 31.823 -0.161 0.000 0.991 86 V HN 0.054 nan 8.190 nan 0.000 0.427 87 I N 4.860 125.310 120.570 -0.201 0.000 2.439 87 I HA 0.437 4.607 4.170 0.000 0.000 0.285 87 I C -0.805 175.193 176.117 -0.199 0.000 1.021 87 I CA -0.283 60.939 61.300 -0.130 0.000 1.091 87 I CB 1.680 39.603 38.000 -0.128 0.000 1.242 87 I HN 0.396 nan 8.210 nan 0.000 0.439 88 F N 5.833 125.728 119.950 -0.092 0.000 2.472 88 F HA 0.187 4.714 4.527 -0.000 0.000 0.364 88 F C 0.557 176.318 175.800 -0.065 0.000 1.090 88 F CA -0.297 57.661 58.000 -0.069 0.000 1.188 88 F CB 0.813 39.772 39.000 -0.068 0.000 1.105 88 F HN 0.076 nan 8.300 nan 0.000 0.536 89 V N 4.608 124.551 119.914 0.049 0.000 2.267 89 V HA 0.298 4.418 4.120 0.000 0.000 0.254 89 V C 0.538 176.672 176.094 0.066 0.000 1.144 89 V CA -0.490 61.801 62.300 -0.015 0.000 0.992 89 V CB 0.181 31.887 31.823 -0.195 0.000 1.199 89 V HN 0.870 nan 8.190 nan 0.000 0.493 90 A N 5.221 128.104 122.820 0.107 0.000 3.260 90 A HA 0.626 4.946 4.320 0.000 0.000 0.268 90 A C 0.153 177.758 177.584 0.036 0.000 1.491 90 A CA -0.180 51.919 52.037 0.104 0.000 1.181 90 A CB -0.099 19.023 19.000 0.203 0.000 1.137 90 A HN 0.923 nan 8.150 nan 0.000 0.642 91 V N -3.848 116.096 119.914 0.049 0.000 3.160 91 V HA 0.849 4.969 4.120 0.000 0.000 0.310 91 V C -0.589 175.548 176.094 0.071 0.000 1.181 91 V CA -1.412 60.946 62.300 0.096 0.000 1.047 91 V CB 1.190 33.166 31.823 0.255 0.000 1.068 91 V HN 0.212 nan 8.190 nan 0.000 0.441 92 F N 0.892 121.000 119.950 0.262 0.000 2.380 92 F HA 0.571 5.097 4.527 -0.000 0.000 0.325 92 F C 1.909 177.609 175.800 -0.167 0.000 1.136 92 F CA 0.118 58.154 58.000 0.060 0.000 1.171 92 F CB 0.749 39.755 39.000 0.011 0.000 1.230 92 F HN 0.713 nan 8.300 nan 0.000 0.554 93 R N 1.422 121.743 120.500 -0.300 0.000 2.117 93 R HA -0.200 4.140 4.340 0.000 0.000 0.243 93 R C 1.907 177.935 176.300 -0.454 0.000 1.143 93 R CA 2.145 57.681 56.100 -0.941 0.000 0.968 93 R CB -0.357 29.599 30.300 -0.573 0.000 0.863 93 R HN 0.890 nan 8.270 nan 0.000 0.444 94 E N -1.071 118.960 120.200 -0.282 0.000 2.333 94 E HA -0.207 4.143 4.350 0.000 0.000 0.198 94 E C 0.695 177.193 176.600 -0.170 0.000 1.007 94 E CA 1.471 57.720 56.400 -0.253 0.000 0.845 94 E CB -0.223 29.261 29.700 -0.359 0.000 0.766 94 E HN 0.670 nan 8.360 nan 0.000 0.507 95 H N -1.550 117.613 119.070 0.154 0.000 2.586 95 H HA 0.109 4.665 4.556 0.000 0.000 0.273 95 H C 0.752 176.278 175.328 0.330 0.000 0.997 95 H CA -0.210 55.971 56.048 0.221 0.000 1.177 95 H CB 0.248 30.145 29.762 0.224 0.000 1.471 95 H HN 0.080 nan 8.280 nan 0.000 0.538 96 Y N 1.498 121.944 120.300 0.242 0.000 2.114 96 Y HA -0.288 4.262 4.550 0.000 0.000 0.282 96 Y C 2.792 178.787 175.900 0.158 0.000 1.165 96 Y CA 1.469 59.683 58.100 0.189 0.000 1.148 96 Y CB -0.891 37.642 38.460 0.123 0.000 0.972 96 Y HN 0.303 nan 8.280 nan 0.000 0.504 97 S N -0.619 115.261 115.700 0.299 0.000 2.447 97 S HA -0.152 4.318 4.470 0.000 0.000 0.233 97 S C 2.080 176.772 174.600 0.154 0.000 1.006 97 S CA 0.951 59.243 58.200 0.153 0.000 0.957 97 S CB -0.952 62.336 63.200 0.147 0.000 0.773 97 S HN 0.496 nan 8.310 nan 0.000 0.507 98 S N 1.805 117.629 115.700 0.206 0.000 2.500 98 S HA 0.103 4.573 4.470 0.000 0.000 0.239 98 S C 1.501 176.201 174.600 0.167 0.000 0.989 98 S CA 0.583 58.887 58.200 0.173 0.000 0.951 98 S CB -0.816 62.497 63.200 0.188 0.000 0.759 98 S HN 0.599 nan 8.310 nan 0.000 0.523 99 L N 0.407 121.763 121.223 0.221 0.000 2.591 99 L HA 0.191 4.531 4.340 0.000 0.000 0.228 99 L C 2.010 179.079 176.870 0.330 0.000 1.133 99 L CA -0.247 54.740 54.840 0.246 0.000 0.880 99 L CB -0.527 41.682 42.059 0.251 0.000 1.033 99 L HN 0.393 nan 8.230 nan 0.000 0.450 100 C N -0.084 119.344 119.300 0.214 0.000 2.419 100 C HA -0.141 4.319 4.460 0.000 0.000 0.281 100 C C 3.016 178.083 174.990 0.128 0.000 1.336 100 C CA 1.284 60.367 59.018 0.109 0.000 1.770 100 C CB -0.799 26.908 27.740 -0.055 0.000 1.929 100 C HN 0.709 nan 8.230 nan 0.000 0.509 101 S N 0.950 116.714 115.700 0.106 0.000 2.500 101 S HA -0.013 4.457 4.470 0.000 0.000 0.239 101 S C 1.258 175.910 174.600 0.087 0.000 0.989 101 S CA 1.058 59.305 58.200 0.078 0.000 0.951 101 S CB -0.634 62.601 63.200 0.059 0.000 0.759 101 S HN 0.690 nan 8.310 nan 0.000 0.523 102 L N 1.223 122.521 121.223 0.125 0.000 2.591 102 L HA 0.191 4.531 4.340 0.000 0.000 0.228 102 L C 2.104 179.041 176.870 0.111 0.000 1.133 102 L CA -0.024 54.869 54.840 0.088 0.000 0.880 102 L CB -0.534 41.550 42.059 0.042 0.000 1.033 102 L HN 0.254 nan 8.230 nan 0.000 0.450 103 S N 0.436 116.254 115.700 0.196 0.000 2.359 103 S HA -0.215 4.255 4.470 0.000 0.000 0.224 103 S C 1.408 176.076 174.600 0.113 0.000 1.035 103 S CA 1.765 60.106 58.200 0.235 0.000 1.018 103 S CB -0.167 63.141 63.200 0.180 0.000 0.876 103 S HN 0.462 nan 8.310 nan 0.000 0.448 104 D N 0.975 121.416 120.400 0.068 0.000 2.178 104 D HA -0.051 4.589 4.640 0.000 0.000 0.201 104 D C 2.269 178.583 176.300 0.023 0.000 0.980 104 D CA 0.867 54.890 54.000 0.039 0.000 0.842 104 D CB -0.131 40.685 40.800 0.026 0.000 0.948 104 D HN 0.460 nan 8.370 nan 0.000 0.472 105 Q N -0.440 119.371 119.800 0.018 0.000 2.137 105 Q HA 0.043 4.383 4.340 0.000 0.000 0.198 105 Q C 2.098 178.086 176.000 -0.020 0.000 0.960 105 Q CA 0.499 56.301 55.803 -0.001 0.000 0.847 105 Q CB 0.113 28.849 28.738 -0.004 0.000 0.915 105 Q HN 0.340 nan 8.270 nan 0.000 0.448 106 L N 0.875 122.078 121.223 -0.032 0.000 2.551 106 L HA 0.062 4.402 4.340 0.000 0.000 0.228 106 L C 0.906 177.745 176.870 -0.051 0.000 1.153 106 L CA -0.543 54.245 54.840 -0.087 0.000 0.851 106 L CB -0.319 41.617 42.059 -0.205 0.000 0.959 106 L HN 0.018 nan 8.230 nan 0.000 0.451 107 A N 0.317 123.134 122.820 -0.005 0.000 2.567 107 A HA 0.309 4.629 4.320 0.000 0.000 0.240 107 A C 1.517 179.095 177.584 -0.010 0.000 1.053 107 A CA 0.717 52.759 52.037 0.008 0.000 0.755 107 A CB -0.358 18.652 19.000 0.017 0.000 0.978 107 A HN 0.592 nan 8.150 nan 0.000 0.507 108 G N 1.829 110.623 108.800 -0.009 0.000 2.189 108 G HA2 -0.262 3.698 3.960 0.000 0.000 0.267 108 G HA3 -0.262 3.698 3.960 0.000 0.000 0.267 108 G C 0.320 175.201 174.900 -0.032 0.000 0.975 108 G CA 1.032 46.123 45.100 -0.016 0.000 0.644 108 G HN 0.894 nan 8.290 nan 0.000 0.537 109 K N -0.471 119.898 120.400 -0.052 0.000 2.109 109 K HA 0.683 5.003 4.320 0.000 0.000 0.243 109 K C 0.465 177.009 176.600 -0.093 0.000 1.006 109 K CA -0.847 55.395 56.287 -0.074 0.000 0.917 109 K CB 1.203 33.647 32.500 -0.094 0.000 1.081 109 K HN 0.174 nan 8.250 nan 0.000 0.468 110 I N 2.767 123.273 120.570 -0.108 0.000 2.325 110 I HA 0.162 4.332 4.170 0.000 0.000 0.291 110 I C -0.432 175.571 176.117 -0.190 0.000 1.019 110 I CA -0.385 60.836 61.300 -0.131 0.000 1.302 110 I CB 0.444 38.368 38.000 -0.127 0.000 1.401 110 I HN 0.212 nan 8.210 nan 0.000 0.485 111 L N 7.125 128.230 121.223 -0.197 0.000 2.296 111 L HA 0.499 4.839 4.340 0.000 0.000 0.286 111 L C -0.532 176.194 176.870 -0.240 0.000 1.023 111 L CA -0.954 53.739 54.840 -0.245 0.000 0.812 111 L CB 1.836 43.738 42.059 -0.261 0.000 1.223 111 L HN 0.274 nan 8.230 nan 0.000 0.421 112 V N 1.792 121.519 119.914 -0.312 0.000 2.350 112 V HA 0.168 4.288 4.120 0.000 0.000 0.276 112 V C -0.045 175.987 176.094 -0.102 0.000 1.028 112 V CA -0.545 61.596 62.300 -0.266 0.000 0.860 112 V CB 1.442 32.920 31.823 -0.575 0.000 0.990 112 V HN 0.647 nan 8.190 nan 0.000 0.453 113 D N 4.146 124.522 120.400 -0.040 0.000 2.339 113 D HA 0.178 4.818 4.640 0.000 0.000 0.241 113 D C 0.750 177.096 176.300 0.077 0.000 1.183 113 D CA -0.153 53.859 54.000 0.020 0.000 0.859 113 D CB 2.013 42.844 40.800 0.052 0.000 1.067 113 D HN 0.479 nan 8.370 nan 0.000 0.484 114 V N 1.618 121.582 119.914 0.083 0.000 3.621 114 V HA 0.138 4.258 4.120 0.000 0.000 0.285 114 V C 0.847 176.869 176.094 -0.120 0.000 1.346 114 V CA -0.158 62.167 62.300 0.043 0.000 1.104 114 V CB -0.657 31.217 31.823 0.084 0.000 0.913 114 V HN 0.452 nan 8.190 nan 0.000 0.432 115 S N 1.940 117.617 115.700 -0.037 0.000 2.560 115 S HA 0.223 4.693 4.470 0.000 0.000 0.284 115 S C 0.047 174.608 174.600 -0.065 0.000 1.327 115 S CA 0.188 58.350 58.200 -0.064 0.000 1.055 115 S CB 0.467 63.707 63.200 0.067 0.000 0.868 115 S HN 0.665 nan 8.310 nan 0.000 0.506 116 N N 3.021 121.671 118.700 -0.083 0.000 2.898 116 N HA 0.411 5.151 4.740 0.000 0.000 0.245 116 N C -2.811 172.695 175.510 -0.006 0.000 1.185 116 N CA -1.928 51.086 53.050 -0.060 0.000 0.879 116 N CB 0.614 39.053 38.487 -0.080 0.000 1.157 116 N HN 0.434 nan 8.380 nan 0.000 0.503 117 P HA 0.137 nan 4.420 nan 0.000 0.272 117 P C 0.074 177.382 177.300 0.013 0.000 1.223 117 P CA -0.219 62.906 63.100 0.042 0.000 0.784 117 P CB 0.373 32.118 31.700 0.075 0.000 0.923 118 T N -1.759 112.815 114.554 0.033 0.000 2.795 118 T HA 0.041 4.391 4.350 0.000 0.000 0.314 118 T C 1.196 175.905 174.700 0.016 0.000 1.069 118 T CA -0.210 61.897 62.100 0.012 0.000 1.071 118 T CB 0.385 69.259 68.868 0.009 0.000 0.988 118 T HN 0.407 nan 8.240 nan 0.000 0.543 119 E N 0.231 120.431 120.200 -0.001 0.000 2.097 119 E HA -0.277 4.073 4.350 0.000 0.000 0.196 119 E C 2.248 178.881 176.600 0.056 0.000 1.000 119 E CA 1.757 58.167 56.400 0.017 0.000 0.804 119 E CB -0.108 29.593 29.700 0.002 0.000 0.740 119 E HN 0.854 nan 8.360 nan 0.000 0.454 120 Q N 0.887 120.702 119.800 0.024 0.000 2.079 120 Q HA -0.194 4.146 4.340 0.000 0.000 0.200 120 Q C 1.773 177.766 176.000 -0.010 0.000 0.974 120 Q CA 1.549 57.354 55.803 0.003 0.000 0.840 120 Q CB 0.125 28.851 28.738 -0.019 0.000 0.898 120 Q HN 0.248 nan 8.270 nan 0.000 0.430 121 E N -0.620 119.592 120.200 0.021 0.000 2.058 121 E HA -0.278 4.072 4.350 0.000 0.000 0.194 121 E C 1.941 178.626 176.600 0.141 0.000 0.997 121 E CA 1.311 57.747 56.400 0.061 0.000 0.801 121 E CB -0.270 29.518 29.700 0.147 0.000 0.746 121 E HN 0.508 nan 8.360 nan 0.000 0.450 122 H N 0.780 119.871 119.070 0.034 0.000 2.319 122 H HA -0.107 4.449 4.556 -0.000 0.000 0.297 122 H C 1.861 177.267 175.328 0.129 0.000 1.097 122 H CA 1.655 57.706 56.048 0.005 0.000 1.285 122 H CB -0.167 29.492 29.762 -0.171 0.000 1.368 122 H HN 0.068 nan 8.280 nan 0.000 0.495 123 L N -0.353 120.878 121.223 0.014 0.000 2.240 123 L HA -0.077 4.263 4.340 0.000 0.000 0.211 123 L C 2.348 179.205 176.870 -0.023 0.000 1.106 123 L CA 0.628 55.474 54.840 0.011 0.000 0.793 123 L CB -0.224 41.859 42.059 0.040 0.000 0.927 123 L HN 0.330 nan 8.230 nan 0.000 0.446 124 Q N -0.831 118.895 119.800 -0.123 0.000 2.245 124 Q HA 0.021 4.361 4.340 0.000 0.000 0.201 124 Q C 0.274 176.096 176.000 -0.298 0.000 0.955 124 Q CA 0.814 56.463 55.803 -0.256 0.000 0.870 124 Q CB 0.216 28.717 28.738 -0.395 0.000 0.945 124 Q HN 0.488 nan 8.270 nan 0.000 0.461 125 H N 0.163 119.242 119.070 0.015 0.000 2.517 125 H HA 0.185 4.741 4.556 0.000 0.000 0.317 125 H C 0.962 176.310 175.328 0.033 0.000 1.080 125 H CA -0.129 55.920 56.048 0.002 0.000 1.301 125 H CB 1.330 31.090 29.762 -0.004 0.000 1.425 125 H HN 0.080 nan 8.280 nan 0.000 0.471 126 R N 2.440 122.988 120.500 0.081 0.000 2.081 126 R HA -0.092 4.248 4.340 0.000 0.000 0.235 126 R C 0.311 176.570 176.300 -0.067 0.000 1.131 126 R CA 1.118 57.193 56.100 -0.042 0.000 0.960 126 R CB 0.327 30.593 30.300 -0.057 0.000 0.856 126 R HN 0.796 nan 8.270 nan 0.000 0.436 127 E N 0.702 120.934 120.200 0.053 0.000 2.250 127 E HA 0.212 4.562 4.350 0.000 0.000 0.269 127 E C -0.772 175.994 176.600 0.277 0.000 1.018 127 E CA -0.605 55.859 56.400 0.107 0.000 0.873 127 E CB 1.387 31.148 29.700 0.102 0.000 1.134 127 E HN 0.204 nan 8.360 nan 0.000 0.403 128 S N 1.912 117.828 115.700 0.360 0.000 2.584 128 S HA 0.009 4.479 4.470 0.000 0.000 0.270 128 S C 0.717 175.484 174.600 0.278 0.000 1.346 128 S CA -0.471 57.960 58.200 0.385 0.000 1.018 128 S CB 0.585 63.993 63.200 0.348 0.000 0.899 128 S HN 0.603 nan 8.310 nan 0.000 0.542 129 N N 1.645 120.493 118.700 0.246 0.000 2.149 129 N HA -0.102 4.638 4.740 0.000 0.000 0.188 129 N C 1.956 177.695 175.510 0.382 0.000 1.019 129 N CA 1.662 54.892 53.050 0.299 0.000 0.857 129 N CB -1.253 37.374 38.487 0.233 0.000 0.997 129 N HN 0.822 nan 8.380 nan 0.000 0.426 130 A N 1.192 124.166 122.820 0.258 0.000 1.902 130 A HA -0.141 4.179 4.320 0.000 0.000 0.217 130 A C 2.101 179.783 177.584 0.164 0.000 1.181 130 A CA 1.420 53.565 52.037 0.180 0.000 0.623 130 A CB -0.474 18.601 19.000 0.124 0.000 0.818 130 A HN 0.347 nan 8.150 nan 0.000 0.443 131 E N -1.701 118.611 120.200 0.187 0.000 2.106 131 E HA -0.182 4.168 4.350 0.000 0.000 0.192 131 E C 1.880 178.595 176.600 0.193 0.000 0.984 131 E CA 1.272 57.767 56.400 0.159 0.000 0.806 131 E CB -0.314 29.475 29.700 0.149 0.000 0.750 131 E HN 0.763 nan 8.360 nan 0.000 0.458 132 Y N 1.549 121.919 120.300 0.118 0.000 2.128 132 Y HA -0.240 4.310 4.550 0.000 0.000 0.284 132 Y C 2.116 178.111 175.900 0.158 0.000 1.154 132 Y CA 1.189 59.359 58.100 0.116 0.000 1.149 132 Y CB -0.485 38.035 38.460 0.100 0.000 0.976 132 Y HN 0.025 nan 8.280 nan 0.000 0.505 133 L N 0.751 122.009 121.223 0.058 0.000 2.042 133 L HA -0.129 4.211 4.340 0.000 0.000 0.210 133 L C 2.502 179.374 176.870 0.003 0.000 1.076 133 L CA 2.187 56.984 54.840 -0.072 0.000 0.749 133 L CB -1.326 40.655 42.059 -0.131 0.000 0.893 133 L HN 0.299 nan 8.230 nan 0.000 0.432 134 A N -1.088 121.751 122.820 0.031 0.000 1.902 134 A HA -0.235 4.085 4.320 0.000 0.000 0.217 134 A C 2.506 180.097 177.584 0.012 0.000 1.181 134 A CA 2.081 54.142 52.037 0.040 0.000 0.623 134 A CB -1.109 17.916 19.000 0.043 0.000 0.818 134 A HN 0.658 nan 8.150 nan 0.000 0.443 135 S N -0.158 115.533 115.700 -0.014 0.000 2.402 135 S HA -0.048 4.422 4.470 0.000 0.000 0.229 135 S C 1.838 176.353 174.600 -0.142 0.000 1.021 135 S CA 1.357 59.534 58.200 -0.039 0.000 0.974 135 S CB -0.632 62.582 63.200 0.023 0.000 0.800 135 S HN 0.448 nan 8.310 nan 0.000 0.484 136 L N -0.960 120.096 121.223 -0.278 0.000 2.217 136 L HA 0.211 4.551 4.340 0.000 0.000 0.211 136 L C 0.148 176.529 176.870 -0.815 0.000 1.107 136 L CA 0.780 55.283 54.840 -0.562 0.000 0.783 136 L CB -0.178 41.432 42.059 -0.747 0.000 0.919 136 L HN 0.293 nan 8.230 nan 0.000 0.442 137 F N -0.663 119.223 119.950 -0.107 0.000 2.584 137 F HA 0.298 4.825 4.527 -0.000 0.000 0.328 137 F C -1.566 174.196 175.800 -0.063 0.000 1.407 137 F CA -1.874 56.076 58.000 -0.083 0.000 1.145 137 F CB 0.291 39.229 39.000 -0.102 0.000 1.440 137 F HN -0.173 nan 8.300 nan 0.000 0.580 138 P HA -0.151 nan 4.420 nan 0.000 0.222 138 P C 1.458 178.781 177.300 0.039 0.000 1.147 138 P CA 1.470 64.587 63.100 0.028 0.000 0.790 138 P CB -0.099 31.600 31.700 -0.002 0.000 0.780 139 T N -4.323 110.265 114.554 0.057 0.000 3.113 139 T HA 0.067 4.417 4.350 0.000 0.000 0.256 139 T C 0.947 175.666 174.700 0.032 0.000 1.131 139 T CA -0.065 62.059 62.100 0.040 0.000 1.074 139 T CB -1.032 67.860 68.868 0.040 0.000 0.944 139 T HN -0.014 nan 8.240 nan 0.000 0.516 140 C N 1.274 120.603 119.300 0.048 0.000 2.347 140 C HA 0.758 5.218 4.460 0.000 0.000 0.366 140 C C 0.707 175.694 174.990 -0.004 0.000 1.241 140 C CA -0.722 58.297 59.018 0.002 0.000 2.360 140 C CB 1.199 28.919 27.740 -0.033 0.000 2.290 140 C HN 0.487 nan 8.230 nan 0.000 0.587 141 T N 1.030 115.565 114.554 -0.032 0.000 2.792 141 T HA 0.540 4.890 4.350 0.000 0.000 0.280 141 T C -0.858 173.811 174.700 -0.051 0.000 0.990 141 T CA -0.249 61.833 62.100 -0.029 0.000 0.960 141 T CB 0.477 69.329 68.868 -0.027 0.000 0.939 141 T HN 0.457 nan 8.240 nan 0.000 0.439 142 V N 6.011 125.904 119.914 -0.036 0.000 2.439 142 V HA 0.539 4.659 4.120 0.000 0.000 0.282 142 V C -0.030 176.040 176.094 -0.040 0.000 1.039 142 V CA -0.576 61.695 62.300 -0.048 0.000 0.913 142 V CB 1.613 33.422 31.823 -0.023 0.000 0.983 142 V HN 0.739 nan 8.190 nan 0.000 0.460 143 V N 4.221 124.098 119.914 -0.062 0.000 2.495 143 V HA 0.461 4.581 4.120 0.000 0.000 0.298 143 V C -0.119 175.957 176.094 -0.030 0.000 1.031 143 V CA -1.070 61.202 62.300 -0.046 0.000 0.871 143 V CB 1.894 33.677 31.823 -0.067 0.000 0.988 143 V HN 0.843 nan 8.190 nan 0.000 0.432 144 K N 3.486 123.884 120.400 -0.004 0.000 2.227 144 K HA 0.774 5.094 4.320 0.000 0.000 0.280 144 K C -0.506 176.091 176.600 -0.004 0.000 1.041 144 K CA 0.240 56.535 56.287 0.013 0.000 0.905 144 K CB 1.047 33.562 32.500 0.025 0.000 1.068 144 K HN 1.014 nan 8.250 nan 0.000 0.470 145 A N 3.420 126.261 122.820 0.035 0.000 2.594 145 A HA 0.615 4.935 4.320 0.000 0.000 0.296 145 A C -0.811 176.877 177.584 0.174 0.000 1.056 145 A CA -0.564 51.464 52.037 -0.014 0.000 0.693 145 A CB 0.194 19.181 19.000 -0.021 0.000 1.278 145 A HN 0.716 nan 8.150 nan 0.000 0.408 146 F N -0.059 119.894 119.950 0.006 0.000 2.544 146 F HA -0.283 4.244 4.527 0.000 0.000 0.389 146 F C 1.823 177.632 175.800 0.015 0.000 0.588 146 F CA 1.042 59.053 58.000 0.018 0.000 1.461 146 F CB -1.580 37.507 39.000 0.145 0.000 1.995 146 F HN 0.811 nan 8.300 nan 0.000 0.282 147 N N 1.661 120.396 118.700 0.059 0.000 2.381 147 N HA -0.088 4.652 4.740 0.000 0.000 0.182 147 N C 1.537 177.034 175.510 -0.021 0.000 1.025 147 N CA 1.692 54.723 53.050 -0.031 0.000 0.888 147 N CB -0.647 37.810 38.487 -0.050 0.000 0.965 147 N HN 0.519 nan 8.380 nan 0.000 0.438 148 V N -2.561 117.348 119.914 -0.007 0.000 3.649 148 V HA 0.319 4.439 4.120 0.000 0.000 0.275 148 V C 0.540 176.666 176.094 0.053 0.000 1.281 148 V CA -0.259 62.042 62.300 0.001 0.000 1.143 148 V CB -0.398 31.409 31.823 -0.026 0.000 0.892 148 V HN -0.063 nan 8.190 nan 0.000 0.441 149 I N 2.812 123.447 120.570 0.109 0.000 2.336 149 I HA 0.428 4.598 4.170 0.000 0.000 0.292 149 I C 0.815 177.088 176.117 0.261 0.000 0.991 149 I CA 0.015 61.414 61.300 0.166 0.000 1.227 149 I CB 1.303 39.383 38.000 0.134 0.000 1.366 149 I HN 0.440 nan 8.210 nan 0.000 0.466 150 S N 4.716 120.548 115.700 0.219 0.000 2.585 150 S HA 0.342 4.812 4.470 0.000 0.000 0.273 150 S C 1.317 176.066 174.600 0.248 0.000 1.339 150 S CA 0.026 58.375 58.200 0.248 0.000 1.028 150 S CB 1.358 64.685 63.200 0.211 0.000 0.906 150 S HN 0.727 nan 8.310 nan 0.000 0.528 151 A N 2.366 125.351 122.820 0.275 0.000 1.908 151 A HA -0.081 4.239 4.320 0.000 0.000 0.218 151 A C 1.870 179.525 177.584 0.117 0.000 1.181 151 A CA 1.338 53.446 52.037 0.120 0.000 0.627 151 A CB -1.266 17.843 19.000 0.183 0.000 0.818 151 A HN 1.039 nan 8.150 nan 0.000 0.445 152 W N 0.841 122.153 121.300 0.020 0.000 2.402 152 W HA -0.137 4.523 4.660 -0.000 0.000 0.286 152 W C 1.660 178.191 176.519 0.020 0.000 1.221 152 W CA 1.759 59.107 57.345 0.006 0.000 1.257 152 W CB -0.228 29.241 29.460 0.015 0.000 1.120 152 W HN 0.366 nan 8.180 nan 0.000 0.551 153 T N 1.881 116.434 114.554 -0.002 0.000 2.746 153 T HA -0.197 4.153 4.350 0.000 0.000 0.267 153 T C 1.959 176.620 174.700 -0.065 0.000 1.039 153 T CA 1.534 63.603 62.100 -0.052 0.000 1.142 153 T CB -0.572 68.375 68.868 0.132 0.000 0.866 153 T HN 0.107 nan 8.240 nan 0.000 0.444 154 L N 0.778 121.982 121.223 -0.032 0.000 1.989 154 L HA -0.180 4.160 4.340 0.000 0.000 0.211 154 L C 3.081 179.816 176.870 -0.225 0.000 1.071 154 L CA 1.421 56.214 54.840 -0.078 0.000 0.749 154 L CB -0.517 41.372 42.059 -0.283 0.000 0.890 154 L HN 0.300 nan 8.230 nan 0.000 0.431 155 Q N -0.661 118.936 119.800 -0.340 0.000 1.967 155 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 155 Q C 2.220 177.867 176.000 -0.589 0.000 0.985 155 Q CA 2.075 57.611 55.803 -0.445 0.000 0.839 155 Q CB -0.241 28.194 28.738 -0.504 0.000 0.906 155 Q HN 0.582 nan 8.270 nan 0.000 0.423 156 A N 0.534 122.778 122.820 -0.960 0.000 1.973 156 A HA 0.225 4.545 4.320 0.000 0.000 0.210 156 A C 1.309 178.607 177.584 -0.477 0.000 1.200 156 A CA 0.567 52.091 52.037 -0.854 0.000 0.707 156 A CB -0.493 17.682 19.000 -1.374 0.000 0.862 156 A HN 0.332 nan 8.150 nan 0.000 0.461 157 G N 2.032 110.574 108.800 -0.429 0.000 2.265 157 G HA2 0.389 4.349 3.960 0.000 0.000 0.240 157 G HA3 0.389 4.349 3.960 0.000 0.000 0.240 157 G C -2.396 172.368 174.900 -0.227 0.000 1.270 157 G CA -0.445 44.503 45.100 -0.254 0.000 0.901 157 G HN 0.243 nan 8.290 nan 0.000 0.507 158 P HA 0.079 nan 4.420 nan 0.000 0.265 158 P C 0.457 177.634 177.300 -0.205 0.000 1.193 158 P CA -0.062 62.945 63.100 -0.154 0.000 0.765 158 P CB 0.765 32.406 31.700 -0.099 0.000 0.823 159 R N 0.910 121.295 120.500 -0.191 0.000 2.386 159 R HA 0.003 4.343 4.340 0.000 0.000 0.216 159 R C 0.552 176.764 176.300 -0.147 0.000 1.119 159 R CA -0.063 55.915 56.100 -0.202 0.000 1.158 159 R CB -0.733 29.477 30.300 -0.150 0.000 1.057 159 R HN 0.586 nan 8.270 nan 0.000 0.489 160 D N -0.388 119.936 120.400 -0.126 0.000 2.419 160 D HA -0.039 4.601 4.640 0.000 0.000 0.236 160 D C 0.799 177.032 176.300 -0.112 0.000 1.165 160 D CA -0.073 53.874 54.000 -0.090 0.000 0.882 160 D CB 0.785 41.545 40.800 -0.067 0.000 1.201 160 D HN 0.080 nan 8.370 nan 0.000 0.443 161 G N 1.107 109.863 108.800 -0.073 0.000 3.782 161 G HA2 0.002 3.962 3.960 0.000 0.000 0.288 161 G HA3 0.002 3.962 3.960 0.000 0.000 0.288 161 G C 0.419 175.303 174.900 -0.027 0.000 1.300 161 G CA -0.588 44.474 45.100 -0.063 0.000 1.261 161 G HN 0.441 nan 8.290 nan 0.000 0.591 162 N N -0.019 118.662 118.700 -0.031 0.000 2.282 162 N HA 0.088 4.828 4.740 0.000 0.000 0.185 162 N C 0.491 176.023 175.510 0.036 0.000 1.099 162 N CA 0.028 53.079 53.050 0.002 0.000 0.878 162 N CB 0.655 39.139 38.487 -0.004 0.000 0.993 162 N HN 0.107 nan 8.380 nan 0.000 0.481 163 R N 1.513 122.051 120.500 0.063 0.000 2.229 163 R HA 0.256 4.596 4.340 0.000 0.000 0.328 163 R C -0.322 176.105 176.300 0.213 0.000 1.009 163 R CA -0.143 56.044 56.100 0.147 0.000 0.864 163 R CB 0.623 31.045 30.300 0.204 0.000 1.085 163 R HN 0.106 nan 8.270 nan 0.000 0.453 164 Q N 1.998 121.868 119.800 0.117 0.000 2.286 164 Q HA 0.311 4.651 4.340 0.000 0.000 0.257 164 Q C -0.637 175.366 176.000 0.007 0.000 0.941 164 Q CA -0.510 55.330 55.803 0.061 0.000 0.912 164 Q CB 1.741 30.495 28.738 0.026 0.000 1.192 164 Q HN 0.270 nan 8.270 nan 0.000 0.410 165 V N 4.728 124.596 119.914 -0.077 0.000 2.347 165 V HA 0.307 4.427 4.120 0.000 0.000 0.280 165 V C -2.100 173.882 176.094 -0.188 0.000 1.021 165 V CA -2.159 59.996 62.300 -0.241 0.000 0.847 165 V CB 1.015 32.489 31.823 -0.581 0.000 0.990 165 V HN 0.691 nan 8.190 nan 0.000 0.444 166 P HA 0.380 nan 4.420 nan 0.000 0.271 166 P C -0.740 176.480 177.300 -0.132 0.000 1.216 166 P CA 0.100 63.133 63.100 -0.110 0.000 0.771 166 P CB 1.141 32.797 31.700 -0.073 0.000 0.864 167 I N 3.364 123.879 120.570 -0.092 0.000 2.512 167 I HA 0.318 4.488 4.170 0.000 0.000 0.287 167 I C 0.163 176.256 176.117 -0.039 0.000 1.069 167 I CA -0.532 60.718 61.300 -0.083 0.000 1.056 167 I CB 1.771 39.718 38.000 -0.089 0.000 1.229 167 I HN 0.548 nan 8.210 nan 0.000 0.429 168 C N 3.163 122.450 119.300 -0.022 0.000 3.154 168 C HA 1.090 5.550 4.460 0.000 0.000 0.312 168 C C -0.015 174.976 174.990 0.000 0.000 1.349 168 C CA -0.581 58.435 59.018 -0.003 0.000 1.518 168 C CB 1.244 28.992 27.740 0.014 0.000 1.934 168 C HN 1.097 nan 8.230 nan 0.000 0.462 169 G N 0.401 109.205 108.800 0.007 0.000 2.340 169 G HA2 0.413 4.373 3.960 0.000 0.000 0.298 169 G HA3 0.413 4.373 3.960 0.000 0.000 0.298 169 G C -0.838 174.066 174.900 0.007 0.000 1.498 169 G CA -0.229 44.874 45.100 0.005 0.000 0.847 169 G HN 0.632 nan 8.290 nan 0.000 0.594 170 D N -0.472 119.933 120.400 0.008 0.000 2.323 170 D HA 0.035 4.675 4.640 0.000 0.000 0.209 170 D C 0.935 177.237 176.300 0.004 0.000 0.973 170 D CA 0.975 54.980 54.000 0.008 0.000 0.874 170 D CB 0.571 41.377 40.800 0.011 0.000 0.930 170 D HN 0.393 nan 8.370 nan 0.000 0.521 171 Q N 0.499 120.298 119.800 -0.001 0.000 2.372 171 Q HA 0.164 4.504 4.340 0.000 0.000 0.259 171 Q C -2.000 173.997 176.000 -0.004 0.000 0.993 171 Q CA -2.004 53.797 55.803 -0.003 0.000 0.854 171 Q CB 2.281 31.014 28.738 -0.008 0.000 1.231 171 Q HN -0.140 nan 8.270 nan 0.000 0.462 172 P HA -0.196 nan 4.420 nan 0.000 0.216 172 P C 0.263 177.563 177.300 0.001 0.000 1.153 172 P CA 1.317 64.418 63.100 0.001 0.000 0.858 172 P CB 0.472 32.174 31.700 0.004 0.000 0.789 173 E N -0.382 119.818 120.200 0.000 0.000 2.051 173 E HA -0.154 4.196 4.350 0.000 0.000 0.192 173 E C 2.170 178.767 176.600 -0.003 0.000 0.991 173 E CA 1.604 58.005 56.400 0.001 0.000 0.799 173 E CB -1.045 28.654 29.700 -0.000 0.000 0.748 173 E HN 0.139 nan 8.360 nan 0.000 0.449 174 A N 1.182 123.995 122.820 -0.012 0.000 1.877 174 A HA -0.239 4.081 4.320 0.000 0.000 0.216 174 A C 1.934 179.504 177.584 -0.023 0.000 1.186 174 A CA 1.619 53.641 52.037 -0.026 0.000 0.620 174 A CB -0.351 18.627 19.000 -0.036 0.000 0.822 174 A HN 0.059 nan 8.150 nan 0.000 0.443 175 K N -0.980 119.412 120.400 -0.015 0.000 2.097 175 K HA -0.183 4.137 4.320 0.000 0.000 0.206 175 K C 2.331 178.933 176.600 0.003 0.000 1.049 175 K CA 1.569 57.849 56.287 -0.010 0.000 0.933 175 K CB -0.149 32.346 32.500 -0.007 0.000 0.717 175 K HN 0.361 nan 8.250 nan 0.000 0.442 176 R N 1.304 121.810 120.500 0.009 0.000 2.073 176 R HA -0.084 4.256 4.340 0.000 0.000 0.234 176 R C 2.040 178.361 176.300 0.035 0.000 1.134 176 R CA 1.699 57.812 56.100 0.022 0.000 0.952 176 R CB -0.645 29.668 30.300 0.021 0.000 0.850 176 R HN 0.176 nan 8.270 nan 0.000 0.433 177 A N -0.193 122.643 122.820 0.027 0.000 1.883 177 A HA -0.135 4.185 4.320 0.000 0.000 0.217 177 A C 2.313 179.927 177.584 0.050 0.000 1.186 177 A CA 1.999 54.059 52.037 0.037 0.000 0.624 177 A CB -0.801 18.205 19.000 0.010 0.000 0.822 177 A HN 0.207 nan 8.150 nan 0.000 0.444 178 V N -0.261 119.669 119.914 0.026 0.000 2.453 178 V HA -0.170 3.950 4.120 0.000 0.000 0.247 178 V C 2.723 178.885 176.094 0.112 0.000 1.048 178 V CA 2.123 64.458 62.300 0.058 0.000 1.049 178 V CB -0.702 31.127 31.823 0.011 0.000 0.672 178 V HN 0.551 nan 8.190 nan 0.000 0.457 179 S N -0.233 115.507 115.700 0.068 0.000 2.368 179 S HA -0.206 4.264 4.470 0.000 0.000 0.225 179 S C 1.917 176.585 174.600 0.113 0.000 1.030 179 S CA 1.488 59.728 58.200 0.068 0.000 0.999 179 S CB -0.250 62.972 63.200 0.037 0.000 0.844 179 S HN 0.688 nan 8.310 nan 0.000 0.459 180 E N 0.673 120.943 120.200 0.117 0.000 2.106 180 E HA -0.087 4.263 4.350 0.000 0.000 0.192 180 E C 2.048 178.784 176.600 0.226 0.000 0.984 180 E CA 0.822 57.310 56.400 0.147 0.000 0.806 180 E CB -0.175 29.603 29.700 0.131 0.000 0.750 180 E HN 0.441 nan 8.360 nan 0.000 0.458 181 M N 0.410 120.151 119.600 0.234 0.000 2.099 181 M HA -0.151 4.329 4.480 0.000 0.000 0.262 181 M C 2.361 178.851 176.300 0.316 0.000 1.067 181 M CA 1.486 56.938 55.300 0.254 0.000 1.124 181 M CB -0.065 32.587 32.600 0.086 0.000 1.353 181 M HN 0.143 nan 8.290 nan 0.000 0.410 182 A N 0.379 123.412 122.820 0.355 0.000 1.908 182 A HA -0.197 4.123 4.320 0.000 0.000 0.218 182 A C 2.008 179.822 177.584 0.384 0.000 1.181 182 A CA 1.612 53.923 52.037 0.456 0.000 0.627 182 A CB -1.102 18.039 19.000 0.235 0.000 0.818 182 A HN 0.548 nan 8.150 nan 0.000 0.445 183 L N -0.982 120.391 121.223 0.251 0.000 2.046 183 L HA -0.199 4.141 4.340 0.000 0.000 0.208 183 L C 3.098 180.070 176.870 0.170 0.000 1.077 183 L CA 1.084 56.031 54.840 0.179 0.000 0.747 183 L CB -0.522 41.612 42.059 0.126 0.000 0.896 183 L HN 0.452 nan 8.230 nan 0.000 0.432 184 A N -0.280 122.677 122.820 0.229 0.000 1.972 184 A HA -0.189 4.131 4.320 0.000 0.000 0.219 184 A C 2.127 179.843 177.584 0.221 0.000 1.169 184 A CA 1.579 53.748 52.037 0.222 0.000 0.635 184 A CB -0.464 18.738 19.000 0.337 0.000 0.810 184 A HN 0.429 nan 8.150 nan 0.000 0.446 185 M N -1.284 118.486 119.600 0.283 0.000 2.618 185 M HA 0.209 4.689 4.480 0.000 0.000 0.240 185 M C 1.256 177.547 176.300 -0.015 0.000 1.123 185 M CA 0.829 56.258 55.300 0.216 0.000 1.060 185 M CB 0.248 33.078 32.600 0.383 0.000 1.535 185 M HN 0.579 nan 8.290 nan 0.000 0.507 186 G N 0.342 109.126 108.800 -0.028 0.000 2.131 186 G HA2 -0.225 3.735 3.960 0.000 0.000 0.223 186 G HA3 -0.225 3.735 3.960 0.000 0.000 0.223 186 G C -0.136 174.559 174.900 -0.341 0.000 0.990 186 G CA -0.497 44.480 45.100 -0.206 0.000 0.671 186 G HN 0.365 nan 8.290 nan 0.000 0.521 187 F N -0.993 119.001 119.950 0.073 0.000 2.461 187 F HA 0.871 5.398 4.527 0.000 0.000 0.332 187 F C 0.572 176.389 175.800 0.029 0.000 1.073 187 F CA -1.260 56.773 58.000 0.055 0.000 1.017 187 F CB 1.338 40.389 39.000 0.085 0.000 1.301 187 F HN 0.028 nan 8.300 nan 0.000 0.492 188 M N 4.617 124.346 119.600 0.215 0.000 2.018 188 M HA 0.433 4.913 4.480 0.000 0.000 0.311 188 M C -2.879 173.457 176.300 0.059 0.000 0.928 188 M CA -2.740 52.621 55.300 0.103 0.000 0.911 188 M CB 0.963 33.603 32.600 0.067 0.000 1.447 188 M HN 0.048 nan 8.290 nan 0.000 0.407 189 P HA 0.218 nan 4.420 nan 0.000 0.275 189 P C -1.169 176.120 177.300 -0.018 0.000 1.227 189 P CA -0.223 62.863 63.100 -0.024 0.000 0.781 189 P CB 0.973 32.666 31.700 -0.011 0.000 0.906 190 V N 3.094 122.984 119.914 -0.040 0.000 2.443 190 V HA 0.162 4.282 4.120 0.000 0.000 0.293 190 V C 0.056 176.134 176.094 -0.028 0.000 1.021 190 V CA -0.549 61.737 62.300 -0.024 0.000 0.848 190 V CB 1.454 33.263 31.823 -0.023 0.000 0.998 190 V HN 0.503 nan 8.190 nan 0.000 0.424 191 D N 5.292 125.684 120.400 -0.014 0.000 2.339 191 D HA 0.204 4.844 4.640 0.000 0.000 0.256 191 D C 0.560 176.857 176.300 -0.006 0.000 1.214 191 D CA -0.102 53.892 54.000 -0.011 0.000 0.877 191 D CB 1.248 42.046 40.800 -0.003 0.000 1.111 191 D HN 0.331 nan 8.370 nan 0.000 0.478 192 M N 2.472 122.068 119.600 -0.007 0.000 2.404 192 M HA 0.248 4.728 4.480 0.000 0.000 0.271 192 M C 1.064 177.373 176.300 0.014 0.000 1.128 192 M CA -0.143 55.159 55.300 0.004 0.000 0.982 192 M CB -0.254 32.347 32.600 0.002 0.000 1.445 192 M HN 0.614 nan 8.290 nan 0.000 0.495 193 G N 1.051 109.858 108.800 0.011 0.000 2.464 193 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 193 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 193 G C -0.154 174.757 174.900 0.018 0.000 1.186 193 G CA -0.166 44.944 45.100 0.016 0.000 1.010 193 G HN 0.520 nan 8.290 nan 0.000 0.585 194 S N -0.544 115.170 115.700 0.024 0.000 2.634 194 S HA 0.528 4.998 4.470 0.000 0.000 0.261 194 S C 1.520 176.142 174.600 0.035 0.000 1.271 194 S CA 0.437 58.653 58.200 0.025 0.000 0.985 194 S CB 1.384 64.599 63.200 0.025 0.000 0.968 194 S HN 1.682 nan 8.310 nan 0.000 0.568 195 L N 1.098 122.343 121.223 0.036 0.000 2.265 195 L HA 0.108 4.448 4.340 0.000 0.000 0.215 195 L C 2.574 179.488 176.870 0.074 0.000 1.117 195 L CA 1.841 56.712 54.840 0.051 0.000 0.782 195 L CB -1.384 40.703 42.059 0.046 0.000 0.914 195 L HN 0.931 nan 8.230 nan 0.000 0.441 196 A N -1.837 121.021 122.820 0.065 0.000 2.076 196 A HA -0.172 4.148 4.320 0.000 0.000 0.220 196 A C 2.333 179.984 177.584 0.111 0.000 1.160 196 A CA 1.769 53.852 52.037 0.076 0.000 0.653 196 A CB -0.622 18.406 19.000 0.048 0.000 0.801 196 A HN 0.470 nan 8.150 nan 0.000 0.455 197 S N -0.341 115.418 115.700 0.098 0.000 2.561 197 S HA 0.171 4.641 4.470 0.000 0.000 0.225 197 S C 2.022 176.705 174.600 0.139 0.000 0.977 197 S CA 0.600 58.867 58.200 0.113 0.000 0.926 197 S CB -0.195 63.048 63.200 0.071 0.000 0.769 197 S HN 0.770 nan 8.310 nan 0.000 0.533 198 A N 0.536 123.443 122.820 0.145 0.000 1.972 198 A HA -0.138 4.182 4.320 0.000 0.000 0.219 198 A C 1.738 179.446 177.584 0.206 0.000 1.169 198 A CA 1.113 53.236 52.037 0.142 0.000 0.635 198 A CB -0.858 18.224 19.000 0.137 0.000 0.810 198 A HN 0.705 nan 8.150 nan 0.000 0.446 199 W N 1.021 122.381 121.300 0.100 0.000 2.335 199 W HA -0.190 4.469 4.660 -0.001 0.000 0.311 199 W C 1.932 178.573 176.519 0.204 0.000 1.213 199 W CA 2.175 59.622 57.345 0.170 0.000 1.274 199 W CB -0.127 29.409 29.460 0.127 0.000 1.148 199 W HN 0.446 nan 8.180 nan 0.000 0.498 200 E N -0.401 119.978 120.200 0.299 0.000 2.072 200 E HA -0.201 4.149 4.350 0.000 0.000 0.191 200 E C 2.119 178.689 176.600 -0.051 0.000 0.985 200 E CA 1.910 58.369 56.400 0.097 0.000 0.801 200 E CB -0.846 28.955 29.700 0.168 0.000 0.750 200 E HN 0.111 nan 8.360 nan 0.000 0.452 201 V N 1.353 121.263 119.914 -0.006 0.000 2.332 201 V HA -0.282 3.838 4.120 0.000 0.000 0.248 201 V C 1.932 177.956 176.094 -0.117 0.000 1.055 201 V CA 2.005 64.277 62.300 -0.048 0.000 1.038 201 V CB -0.445 31.370 31.823 -0.013 0.000 0.651 201 V HN 0.272 nan 8.190 nan 0.000 0.450 202 E N -0.080 120.036 120.200 -0.140 0.000 2.338 202 E HA -0.111 4.239 4.350 0.000 0.000 0.197 202 E C 2.139 178.467 176.600 -0.453 0.000 1.007 202 E CA 0.959 57.233 56.400 -0.210 0.000 0.849 202 E CB -0.210 29.426 29.700 -0.107 0.000 0.774 202 E HN 0.627 nan 8.360 nan 0.000 0.506 203 A N 0.576 123.019 122.820 -0.628 0.000 2.119 203 A HA 0.020 4.340 4.320 0.000 0.000 0.216 203 A C 1.109 178.482 177.584 -0.351 0.000 1.152 203 A CA 0.135 51.733 52.037 -0.731 0.000 0.708 203 A CB -0.184 18.383 19.000 -0.722 0.000 0.805 203 A HN 0.116 nan 8.150 nan 0.000 0.460 204 M N 2.018 121.479 119.600 -0.232 0.000 2.238 204 M HA 0.169 4.649 4.480 0.000 0.000 0.350 204 M C -2.130 174.100 176.300 -0.116 0.000 1.321 204 M CA -1.412 53.806 55.300 -0.137 0.000 1.097 204 M CB 0.299 32.842 32.600 -0.095 0.000 1.713 204 M HN 0.070 nan 8.290 nan 0.000 0.455 205 P HA 0.110 nan 4.420 nan 0.000 0.271 205 P C -0.922 176.359 177.300 -0.032 0.000 1.218 205 P CA -0.536 62.529 63.100 -0.059 0.000 0.780 205 P CB 0.626 32.302 31.700 -0.040 0.000 0.901 206 L N 3.908 125.119 121.223 -0.018 0.000 2.416 206 L HA 0.172 4.512 4.340 0.000 0.000 0.272 206 L C 0.419 177.307 176.870 0.029 0.000 1.161 206 L CA 0.406 55.252 54.840 0.011 0.000 0.845 206 L CB 0.006 42.079 42.059 0.023 0.000 1.119 206 L HN 0.242 nan 8.230 nan 0.000 0.464 207 R N 5.994 126.523 120.500 0.048 0.000 2.295 207 R HA 0.768 5.108 4.340 0.000 0.000 0.324 207 R C -0.335 176.020 176.300 0.093 0.000 0.968 207 R CA -0.265 55.872 56.100 0.062 0.000 0.837 207 R CB 0.822 31.159 30.300 0.061 0.000 1.133 207 R HN 0.601 nan 8.270 nan 0.000 0.450 208 L N 0.000 121.280 121.223 0.095 0.000 2.949 208 L HA 0.000 4.340 4.340 0.000 0.000 0.249 208 L CA 0.000 54.882 54.840 0.070 0.000 0.813 208 L CB 0.000 42.098 42.059 0.065 0.000 0.961 208 L HN 0.000 nan 8.230 nan 0.000 0.502