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 2vs3_1_B DATA FIRST_RESID 82 DATA SEQUENCE KLKLSDWFNP FKRPEVVTMT KWKAPVVWEG TYNRAVLDNY YAKQKITVGL DATA SEQUENCE TVFAVGRYIE HYLEEFLTSA NKHFMVGHPV IFYIMVDDVS RMPLIELGPL DATA SEQUENCE RSFKVFKIKP EKRWQDISMM RMKTIGEHIV AHIQHEVDFL FCMDVDQVFQ DATA SEQUENCE DKFGVETLGE SVAQLQAWWY KADPNDFTYE RRKESAAYIP FGEGDFYYHA DATA SEQUENCE AIFGGTPTQV LNITQECFKG ILKDKKNDIE AQWHNESHLN KYFLLNKPTK DATA SEQUENCE ILSPEYCWDY HIGLPADIKL VKMSWQTKEY NVVRNNV 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 82 K HA 0.000 nan 4.320 nan 0.000 0.191 82 K C 0.000 176.607 176.600 0.011 0.000 0.988 82 K CA 0.000 56.351 56.287 0.107 0.000 0.838 82 K CB 0.000 32.552 32.500 0.087 0.000 1.064 83 L N 3.296 124.457 121.223 -0.104 0.000 2.455 83 L HA 0.280 2.963 4.340 -2.761 0.000 0.272 83 L C 0.008 176.846 176.870 -0.053 0.000 1.174 83 L CA 0.884 55.549 54.840 -0.291 0.000 0.869 83 L CB 0.341 41.994 42.059 -0.676 0.000 1.130 83 L HN 0.461 nan 8.230 nan 0.000 0.474 84 K N 3.677 124.075 120.400 -0.002 0.000 2.259 84 K HA 0.170 2.833 4.320 -2.761 0.000 0.249 84 K C 0.637 177.301 176.600 0.108 0.000 0.942 84 K CA -0.730 55.590 56.287 0.056 0.000 0.816 84 K CB 1.858 34.376 32.500 0.030 0.000 1.155 84 K HN 0.623 nan 8.250 nan 0.000 0.428 85 L N 3.276 124.541 121.223 0.070 0.000 2.043 85 L HA -0.239 2.445 4.340 -2.761 0.000 0.212 85 L C 2.003 178.695 176.870 -0.296 0.000 1.075 85 L CA 2.710 57.494 54.840 -0.094 0.000 0.752 85 L CB -0.680 41.329 42.059 -0.083 0.000 0.891 85 L HN 0.820 nan 8.230 nan 0.000 0.432 86 S N -2.113 113.520 115.700 -0.111 0.000 2.481 86 S HA -0.133 2.681 4.470 -2.761 0.000 0.231 86 S C 1.613 176.178 174.600 -0.059 0.000 0.996 86 S CA 0.811 58.956 58.200 -0.091 0.000 0.942 86 S CB -0.708 62.478 63.200 -0.024 0.000 0.768 86 S HN 0.516 nan 8.310 nan 0.000 0.520 87 D N 1.299 121.698 120.400 -0.001 0.000 2.178 87 D HA -0.066 2.917 4.640 -2.761 0.000 0.201 87 D C 1.605 178.005 176.300 0.167 0.000 0.980 87 D CA 1.410 55.457 54.000 0.078 0.000 0.842 87 D CB -0.180 40.676 40.800 0.093 0.000 0.948 87 D HN 0.896 nan 8.370 nan 0.000 0.472 88 W N -1.479 119.859 121.300 0.064 0.000 2.520 88 W HA 0.280 3.260 4.660 -2.799 0.000 0.272 88 W C -0.459 176.183 176.519 0.204 0.000 0.984 88 W CA -0.507 56.907 57.345 0.114 0.000 1.314 88 W CB -0.071 29.451 29.460 0.105 0.000 0.945 88 W HN -0.241 nan 8.180 nan 0.000 0.596 89 F N 4.394 123.833 119.950 -0.852 0.000 2.426 89 F HA 0.499 3.357 4.527 -2.782 0.000 0.348 89 F C -0.745 174.804 175.800 -0.418 0.000 1.124 89 F CA -1.069 56.408 58.000 -0.871 0.000 1.008 89 F CB 0.995 39.006 39.000 -1.648 0.000 1.139 89 F HN -0.253 nan 8.300 nan 0.000 0.452 90 N N 8.405 126.608 118.700 -0.829 0.000 2.626 90 N HA 0.357 3.441 4.740 -2.761 0.000 0.249 90 N C -2.152 172.831 175.510 -0.878 0.000 1.021 90 N CA -2.526 50.151 53.050 -0.623 0.000 0.886 90 N CB 1.798 40.133 38.487 -0.254 0.000 1.149 90 N HN 0.271 nan 8.380 nan 0.000 0.517 91 P HA -0.063 nan 4.420 nan 0.000 0.220 91 P C 0.963 177.901 177.300 -0.603 0.000 1.148 91 P CA 0.974 63.553 63.100 -0.868 0.000 0.803 91 P CB 0.007 31.247 31.700 -0.767 0.000 0.782 92 F N 0.416 120.221 119.950 -0.241 0.000 2.604 92 F HA 0.007 2.883 4.527 -2.753 0.000 0.298 92 F C 2.163 177.867 175.800 -0.160 0.000 1.131 92 F CA 0.549 58.450 58.000 -0.165 0.000 1.457 92 F CB -0.585 38.335 39.000 -0.133 0.000 1.095 92 F HN -0.192 nan 8.300 nan 0.000 0.574 93 K N 0.281 120.638 120.400 -0.070 0.000 2.288 93 K HA 0.036 2.699 4.320 -2.761 0.000 0.201 93 K C 0.473 177.009 176.600 -0.107 0.000 1.048 93 K CA 0.695 56.929 56.287 -0.087 0.000 0.956 93 K CB 0.003 32.430 32.500 -0.122 0.000 0.746 93 K HN 0.103 nan 8.250 nan 0.000 0.461 94 R N 0.826 121.235 120.500 -0.152 0.000 2.585 94 R HA 0.169 2.852 4.340 -2.761 0.000 0.278 94 R C -2.167 174.004 176.300 -0.215 0.000 1.663 94 R CA -1.494 54.489 56.100 -0.195 0.000 1.592 94 R CB 0.900 31.058 30.300 -0.235 0.000 1.200 94 R HN -0.037 nan 8.270 nan 0.000 0.611 95 P HA -0.055 nan 4.420 nan 0.000 0.236 95 P C 0.756 177.983 177.300 -0.122 0.000 1.177 95 P CA 0.672 63.712 63.100 -0.101 0.000 0.773 95 P CB 0.520 32.202 31.700 -0.031 0.000 0.878 96 E N 0.852 120.950 120.200 -0.169 0.000 2.489 96 E HA 0.049 2.742 4.350 -2.761 0.000 0.193 96 E C 0.538 177.012 176.600 -0.209 0.000 1.057 96 E CA 0.195 56.500 56.400 -0.157 0.000 0.866 96 E CB -0.368 29.246 29.700 -0.143 0.000 0.916 96 E HN 0.139 nan 8.360 nan 0.000 0.500 97 V N -2.347 117.371 119.914 -0.327 0.000 3.141 97 V HA 0.526 2.989 4.120 -2.761 0.000 0.312 97 V C 0.120 176.087 176.094 -0.212 0.000 1.157 97 V CA -1.323 60.735 62.300 -0.403 0.000 1.041 97 V CB 1.723 32.830 31.823 -1.194 0.000 1.071 97 V HN -0.156 nan 8.190 nan 0.000 0.441 98 V N 2.240 122.168 119.914 0.024 0.000 2.439 98 V HA 0.289 2.752 4.120 -2.761 0.000 0.271 98 V C 1.466 177.711 176.094 0.251 0.000 1.040 98 V CA 0.953 63.360 62.300 0.178 0.000 1.002 98 V CB 0.355 32.386 31.823 0.348 0.000 1.000 98 V HN 1.211 nan 8.190 nan 0.000 0.477 99 T N 1.262 115.909 114.554 0.155 0.000 2.985 99 T HA 0.394 3.087 4.350 -2.761 0.000 0.254 99 T C 0.362 175.188 174.700 0.210 0.000 1.021 99 T CA -0.126 62.133 62.100 0.265 0.000 0.957 99 T CB 0.454 69.409 68.868 0.145 0.000 1.047 99 T HN 0.320 nan 8.240 nan 0.000 0.511 100 M N 2.796 122.443 119.600 0.079 0.000 2.446 100 M HA 0.432 3.255 4.480 -2.761 0.000 0.294 100 M C -0.378 175.869 176.300 -0.089 0.000 1.158 100 M CA -0.436 54.843 55.300 -0.035 0.000 0.899 100 M CB 2.357 34.935 32.600 -0.037 0.000 1.687 100 M HN 0.315 nan 8.290 nan 0.000 0.455 101 T N -1.379 112.994 114.554 -0.302 0.000 2.881 101 T HA 0.415 3.109 4.350 -2.761 0.000 0.278 101 T C 0.976 175.446 174.700 -0.383 0.000 0.982 101 T CA -0.674 61.120 62.100 -0.510 0.000 0.989 101 T CB 1.060 69.008 68.868 -1.533 0.000 1.058 101 T HN 0.830 nan 8.240 nan 0.000 0.529 102 K N -0.558 119.700 120.400 -0.236 0.000 2.439 102 K HA 0.003 2.667 4.320 -2.761 0.000 0.197 102 K C 1.069 177.758 176.600 0.148 0.000 1.041 102 K CA 0.516 56.819 56.287 0.028 0.000 0.970 102 K CB -0.363 32.229 32.500 0.153 0.000 0.773 102 K HN 0.882 nan 8.250 nan 0.000 0.479 103 W N 1.274 122.638 121.300 0.107 0.000 3.239 103 W HA 0.412 3.412 4.660 -2.767 0.000 0.368 103 W C -0.646 175.914 176.519 0.068 0.000 1.154 103 W CA -0.897 56.498 57.345 0.083 0.000 1.860 103 W CB 0.529 30.041 29.460 0.086 0.000 1.094 103 W HN -0.153 nan 8.180 nan 0.000 0.643 104 K N -0.560 119.755 120.400 -0.142 0.000 3.230 104 K HA -0.214 2.449 4.320 -2.761 0.000 0.285 104 K C 0.085 176.595 176.600 -0.150 0.000 1.196 104 K CA 1.271 57.494 56.287 -0.107 0.000 0.838 104 K CB -2.327 30.179 32.500 0.009 0.000 1.262 104 K HN 0.499 nan 8.250 nan 0.000 0.492 105 A N 1.489 124.102 122.820 -0.345 0.000 2.310 105 A HA 0.624 3.287 4.320 -2.761 0.000 0.299 105 A C -2.010 175.386 177.584 -0.312 0.000 1.147 105 A CA -1.271 50.622 52.037 -0.239 0.000 0.818 105 A CB 0.618 19.547 19.000 -0.120 0.000 1.096 105 A HN -0.009 nan 8.150 nan 0.000 0.495 106 P HA 0.298 nan 4.420 nan 0.000 0.278 106 P C -0.795 176.289 177.300 -0.360 0.000 1.238 106 P CA -0.154 62.565 63.100 -0.637 0.000 0.794 106 P CB 1.211 32.094 31.700 -1.361 0.000 0.955 107 V N 3.773 123.592 119.914 -0.159 0.000 2.328 107 V HA 0.114 2.577 4.120 -2.761 0.000 0.278 107 V C 0.464 176.667 176.094 0.182 0.000 1.021 107 V CA -0.741 61.551 62.300 -0.014 0.000 0.838 107 V CB 1.469 33.360 31.823 0.113 0.000 0.999 107 V HN 0.257 nan 8.190 nan 0.000 0.447 108 V N 5.195 125.125 119.914 0.027 0.000 2.405 108 V HA 0.251 2.714 4.120 -2.761 0.000 0.264 108 V C -0.366 175.847 176.094 0.198 0.000 1.048 108 V CA -0.276 62.172 62.300 0.246 0.000 0.966 108 V CB -0.040 31.834 31.823 0.085 0.000 1.015 108 V HN 0.831 nan 8.190 nan 0.000 0.477 109 W N 2.036 123.554 121.300 0.363 0.000 2.639 109 W HA 0.556 3.667 4.660 -2.581 0.000 0.347 109 W C 0.344 177.036 176.519 0.289 0.000 1.067 109 W CA -0.946 56.550 57.345 0.252 0.000 1.218 109 W CB 0.968 30.494 29.460 0.111 0.000 1.393 109 W HN 0.466 nan 8.180 nan 0.000 0.557 110 E N 0.861 121.315 120.200 0.424 0.000 2.558 110 E HA 0.299 2.992 4.350 -2.761 0.000 0.255 110 E C 1.075 177.721 176.600 0.078 0.000 0.968 110 E CA 2.069 58.614 56.400 0.241 0.000 0.939 110 E CB 0.195 29.958 29.700 0.105 0.000 0.921 110 E HN 0.659 nan 8.360 nan 0.000 0.477 111 G N 2.867 111.570 108.800 -0.160 0.000 2.254 111 G HA2 -0.341 1.962 3.960 -2.761 0.000 0.225 111 G HA3 -0.341 1.962 3.960 -2.761 0.000 0.225 111 G C 1.054 175.846 174.900 -0.181 0.000 1.003 111 G CA 0.803 45.796 45.100 -0.179 0.000 0.622 111 G HN 0.838 nan 8.290 nan 0.000 0.507 112 T N -1.322 113.187 114.554 -0.076 0.000 3.067 112 T HA 0.402 3.095 4.350 -2.761 0.000 0.257 112 T C 0.999 175.693 174.700 -0.010 0.000 1.105 112 T CA 1.208 63.224 62.100 -0.140 0.000 1.104 112 T CB -0.167 68.629 68.868 -0.120 0.000 0.925 112 T HN 1.309 nan 8.240 nan 0.000 0.498 113 Y N 0.303 120.725 120.300 0.204 0.000 2.387 113 Y HA 0.717 3.626 4.550 -2.735 0.000 0.336 113 Y C -0.293 175.769 175.900 0.269 0.000 1.067 113 Y CA -2.335 55.998 58.100 0.388 0.000 1.114 113 Y CB 0.756 39.529 38.460 0.521 0.000 1.208 113 Y HN -0.167 nan 8.280 nan 0.000 0.458 114 N N 3.818 122.810 118.700 0.486 0.000 2.699 114 N HA 0.164 3.248 4.740 -2.761 0.000 0.232 114 N C 0.639 176.381 175.510 0.388 0.000 1.027 114 N CA -0.201 53.043 53.050 0.323 0.000 0.920 114 N CB 0.512 39.144 38.487 0.242 0.000 1.148 114 N HN 0.975 nan 8.380 nan 0.000 0.509 115 R N 2.363 123.115 120.500 0.420 0.000 2.092 115 R HA -0.048 2.636 4.340 -2.761 0.000 0.231 115 R C 1.671 178.108 176.300 0.228 0.000 1.119 115 R CA 1.501 57.801 56.100 0.333 0.000 0.970 115 R CB 0.065 30.577 30.300 0.352 0.000 0.864 115 R HN 0.547 nan 8.270 nan 0.000 0.440 116 A N 0.237 123.173 122.820 0.194 0.000 1.908 116 A HA -0.140 2.523 4.320 -2.761 0.000 0.218 116 A C 2.224 179.900 177.584 0.152 0.000 1.181 116 A CA 1.656 53.783 52.037 0.151 0.000 0.627 116 A CB -0.603 18.466 19.000 0.116 0.000 0.818 116 A HN 0.224 nan 8.150 nan 0.000 0.445 117 V N -0.137 119.874 119.914 0.163 0.000 2.343 117 V HA -0.242 2.222 4.120 -2.761 0.000 0.247 117 V C 2.560 178.746 176.094 0.153 0.000 1.051 117 V CA 2.011 64.402 62.300 0.151 0.000 1.036 117 V CB -0.623 31.296 31.823 0.160 0.000 0.654 117 V HN 0.574 nan 8.190 nan 0.000 0.451 118 L N -0.658 120.664 121.223 0.164 0.000 2.109 118 L HA -0.122 2.561 4.340 -2.761 0.000 0.207 118 L C 2.364 179.409 176.870 0.291 0.000 1.086 118 L CA 1.305 56.233 54.840 0.147 0.000 0.760 118 L CB -0.690 41.428 42.059 0.098 0.000 0.910 118 L HN 0.295 nan 8.230 nan 0.000 0.437 119 D N 0.102 120.674 120.400 0.287 0.000 2.104 119 D HA -0.224 2.760 4.640 -2.761 0.000 0.194 119 D C 1.894 178.380 176.300 0.309 0.000 0.994 119 D CA 1.481 55.704 54.000 0.372 0.000 0.830 119 D CB -0.183 40.775 40.800 0.264 0.000 0.959 119 D HN 0.256 nan 8.370 nan 0.000 0.452 120 N N -0.650 118.172 118.700 0.204 0.000 2.106 120 N HA -0.215 2.868 4.740 -2.761 0.000 0.188 120 N C 1.876 177.476 175.510 0.150 0.000 1.029 120 N CA 0.995 54.136 53.050 0.150 0.000 0.848 120 N CB -0.402 38.157 38.487 0.119 0.000 1.007 120 N HN 0.159 nan 8.380 nan 0.000 0.423 121 Y N -0.084 120.218 120.300 0.004 0.000 2.128 121 Y HA -0.256 2.636 4.550 -2.763 0.000 0.284 121 Y C 1.607 177.452 175.900 -0.092 0.000 1.154 121 Y CA 1.903 59.940 58.100 -0.105 0.000 1.149 121 Y CB -0.653 37.647 38.460 -0.267 0.000 0.976 121 Y HN 0.238 nan 8.280 nan 0.000 0.505 122 Y N -0.816 119.527 120.300 0.071 0.000 2.337 122 Y HA -0.054 2.838 4.550 -2.763 0.000 0.293 122 Y C 2.574 178.510 175.900 0.059 0.000 1.123 122 Y CA 0.532 58.620 58.100 -0.021 0.000 1.201 122 Y CB -0.428 38.006 38.460 -0.042 0.000 1.011 122 Y HN 0.237 nan 8.280 nan 0.000 0.545 123 A N 0.402 123.402 122.820 0.300 0.000 1.930 123 A HA -0.188 2.475 4.320 -2.761 0.000 0.217 123 A C 2.045 179.669 177.584 0.067 0.000 1.175 123 A CA 1.558 53.704 52.037 0.181 0.000 0.627 123 A CB -0.387 18.674 19.000 0.100 0.000 0.815 123 A HN 0.359 nan 8.150 nan 0.000 0.443 124 K N -0.532 119.874 120.400 0.010 0.000 2.211 124 K HA -0.079 2.584 4.320 -2.761 0.000 0.203 124 K C 2.004 178.563 176.600 -0.069 0.000 1.050 124 K CA 1.212 57.478 56.287 -0.036 0.000 0.945 124 K CB -0.079 32.388 32.500 -0.056 0.000 0.732 124 K HN 0.550 nan 8.250 nan 0.000 0.451 125 Q N 0.651 120.384 119.800 -0.112 0.000 2.432 125 Q HA 0.007 2.690 4.340 -2.761 0.000 0.205 125 Q C -0.528 175.472 176.000 -0.000 0.000 0.945 125 Q CA 0.291 56.039 55.803 -0.091 0.000 0.924 125 Q CB 0.233 28.881 28.738 -0.150 0.000 1.016 125 Q HN 0.136 nan 8.270 nan 0.000 0.503 126 K N 1.405 121.828 120.400 0.039 0.000 3.689 126 K HA -0.183 2.480 4.320 -2.761 0.000 0.276 126 K C -0.189 176.455 176.600 0.072 0.000 0.932 126 K CA 0.202 56.526 56.287 0.061 0.000 0.758 126 K CB -2.017 30.502 32.500 0.031 0.000 1.500 126 K HN 0.397 nan 8.250 nan 0.000 0.448 127 I N -2.416 118.224 120.570 0.115 0.000 2.662 127 I HA 0.330 2.843 4.170 -2.761 0.000 0.291 127 I C 0.264 176.426 176.117 0.075 0.000 1.046 127 I CA -0.186 61.169 61.300 0.091 0.000 1.361 127 I CB 1.507 39.577 38.000 0.117 0.000 1.429 127 I HN -0.024 nan 8.210 nan 0.000 0.558 128 T N 4.617 119.201 114.554 0.051 0.000 2.841 128 T HA 0.578 3.272 4.350 -2.761 0.000 0.283 128 T C -0.483 174.256 174.700 0.066 0.000 1.000 128 T CA -0.491 61.638 62.100 0.049 0.000 0.977 128 T CB 1.872 70.766 68.868 0.044 0.000 0.979 128 T HN 0.452 nan 8.240 nan 0.000 0.446 129 V N 2.267 122.220 119.914 0.065 0.000 2.448 129 V HA 0.752 3.215 4.120 -2.761 0.000 0.295 129 V C 0.728 176.938 176.094 0.192 0.000 1.025 129 V CA -0.784 61.600 62.300 0.139 0.000 0.859 129 V CB 1.702 33.563 31.823 0.064 0.000 0.988 129 V HN 1.036 nan 8.190 nan 0.000 0.431 130 G N 3.080 112.045 108.800 0.275 0.000 2.437 130 G HA2 0.664 2.967 3.960 -2.761 0.000 0.319 130 G HA3 0.664 2.967 3.960 -2.761 0.000 0.319 130 G C -1.414 173.711 174.900 0.375 0.000 1.158 130 G CA -0.457 44.834 45.100 0.318 0.000 0.899 130 G HN 0.622 nan 8.290 nan 0.000 0.502 131 L N 1.119 122.518 121.223 0.293 0.000 2.528 131 L HA 0.541 3.224 4.340 -2.761 0.000 0.267 131 L C 0.267 177.331 176.870 0.324 0.000 0.961 131 L CA -0.483 54.501 54.840 0.240 0.000 0.866 131 L CB 1.848 43.899 42.059 -0.013 0.000 1.248 131 L HN 0.731 nan 8.230 nan 0.000 0.404 132 T N 1.821 116.527 114.554 0.253 0.000 2.837 132 T HA 0.755 3.448 4.350 -2.761 0.000 0.285 132 T C -0.575 174.178 174.700 0.089 0.000 0.984 132 T CA -0.691 61.521 62.100 0.186 0.000 1.049 132 T CB 1.645 70.578 68.868 0.107 0.000 0.947 132 T HN 0.658 nan 8.240 nan 0.000 0.472 133 V N 3.751 123.670 119.914 0.008 0.000 2.777 133 V HA 0.643 3.106 4.120 -2.761 0.000 0.306 133 V C -1.914 174.105 176.094 -0.124 0.000 1.112 133 V CA -1.077 61.166 62.300 -0.095 0.000 0.917 133 V CB 1.609 33.244 31.823 -0.313 0.000 1.018 133 V HN 0.916 nan 8.190 nan 0.000 0.426 134 F N 4.742 124.593 119.950 -0.165 0.000 2.443 134 F HA 0.863 3.731 4.527 -2.765 0.000 0.335 134 F C 0.522 176.260 175.800 -0.103 0.000 1.104 134 F CA -0.230 57.703 58.000 -0.112 0.000 1.013 134 F CB 2.199 41.127 39.000 -0.121 0.000 1.136 134 F HN 0.668 nan 8.300 nan 0.000 0.470 135 A N 3.260 126.137 122.820 0.095 0.000 2.457 135 A HA 0.739 3.402 4.320 -2.761 0.000 0.283 135 A C -1.715 175.938 177.584 0.114 0.000 1.166 135 A CA -0.569 51.539 52.037 0.120 0.000 0.740 135 A CB 0.765 19.843 19.000 0.129 0.000 1.181 135 A HN 0.496 nan 8.150 nan 0.000 0.446 136 V N 2.641 122.609 119.914 0.090 0.000 2.487 136 V HA 0.800 3.264 4.120 -2.761 0.000 0.298 136 V C 0.989 177.161 176.094 0.130 0.000 1.028 136 V CA 0.685 63.034 62.300 0.083 0.000 0.860 136 V CB 0.714 32.562 31.823 0.042 0.000 0.991 136 V HN 2.219 nan 8.190 nan 0.000 0.427 137 G N 5.422 114.304 108.800 0.136 0.000 2.512 137 G HA2 -0.221 2.082 3.960 -2.761 0.000 0.254 137 G HA3 -0.221 2.082 3.960 -2.761 0.000 0.254 137 G C 0.647 175.658 174.900 0.186 0.000 1.199 137 G CA 0.247 45.440 45.100 0.155 0.000 0.941 137 G HN 0.582 nan 8.290 nan 0.000 0.569 138 R N -0.122 120.489 120.500 0.185 0.000 2.285 138 R HA 0.032 2.716 4.340 -2.761 0.000 0.213 138 R C 2.224 178.578 176.300 0.089 0.000 1.068 138 R CA 1.659 57.823 56.100 0.107 0.000 1.004 138 R CB -0.765 29.532 30.300 -0.006 0.000 0.873 138 R HN 0.686 nan 8.270 nan 0.000 0.467 139 Y N 0.554 120.892 120.300 0.063 0.000 2.333 139 Y HA -0.141 2.751 4.550 -2.764 0.000 0.290 139 Y C 2.223 178.208 175.900 0.142 0.000 1.144 139 Y CA 0.732 58.935 58.100 0.172 0.000 1.228 139 Y CB -0.323 38.272 38.460 0.224 0.000 0.985 139 Y HN -0.052 nan 8.280 nan 0.000 0.542 140 I N -0.105 120.606 120.570 0.235 0.000 2.113 140 I HA -0.275 2.238 4.170 -2.761 0.000 0.238 140 I C 1.995 178.163 176.117 0.083 0.000 1.070 140 I CA 1.525 62.911 61.300 0.142 0.000 1.332 140 I CB -0.319 37.744 38.000 0.105 0.000 1.044 140 I HN 0.091 nan 8.210 nan 0.000 0.402 141 E N -0.206 120.029 120.200 0.058 0.000 2.150 141 E HA -0.171 2.522 4.350 -2.761 0.000 0.193 141 E C 2.152 178.695 176.600 -0.095 0.000 0.985 141 E CA 0.993 57.390 56.400 -0.004 0.000 0.814 141 E CB -0.231 29.471 29.700 0.004 0.000 0.752 141 E HN 0.500 nan 8.360 nan 0.000 0.466 142 H N -1.836 117.059 119.070 -0.292 0.000 2.363 142 H HA -0.017 2.881 4.556 -2.762 0.000 0.301 142 H C 0.965 175.946 175.328 -0.579 0.000 1.074 142 H CA 1.470 57.141 56.048 -0.629 0.000 1.354 142 H CB 0.325 29.357 29.762 -1.217 0.000 1.397 142 H HN 0.311 nan 8.280 nan 0.000 0.516 143 Y N -1.772 118.614 120.300 0.144 0.000 2.494 143 Y HA -0.001 2.895 4.550 -2.757 0.000 0.271 143 Y C 2.052 178.028 175.900 0.127 0.000 1.113 143 Y CA -0.341 57.835 58.100 0.128 0.000 1.240 143 Y CB 0.212 38.750 38.460 0.129 0.000 1.268 143 Y HN -0.051 nan 8.280 nan 0.000 0.510 144 L N 1.430 122.788 121.223 0.226 0.000 2.017 144 L HA -0.171 2.512 4.340 -2.761 0.000 0.208 144 L C 2.265 179.213 176.870 0.129 0.000 1.073 144 L CA 2.049 56.985 54.840 0.160 0.000 0.745 144 L CB -0.489 41.626 42.059 0.093 0.000 0.894 144 L HN 0.299 nan 8.230 nan 0.000 0.432 145 E N -0.751 119.493 120.200 0.074 0.000 2.051 145 E HA -0.260 2.433 4.350 -2.761 0.000 0.192 145 E C 2.079 178.705 176.600 0.042 0.000 0.991 145 E CA 1.440 57.854 56.400 0.022 0.000 0.799 145 E CB -0.137 29.562 29.700 -0.001 0.000 0.748 145 E HN 0.606 nan 8.360 nan 0.000 0.449 146 E N -0.413 119.844 120.200 0.096 0.000 2.077 146 E HA -0.195 2.499 4.350 -2.761 0.000 0.193 146 E C 1.868 178.553 176.600 0.141 0.000 0.989 146 E CA 1.018 57.486 56.400 0.115 0.000 0.800 146 E CB -0.193 29.601 29.700 0.157 0.000 0.746 146 E HN 0.289 nan 8.360 nan 0.000 0.452 147 F N 1.203 121.187 119.950 0.056 0.000 2.102 147 F HA -0.201 2.666 4.527 -2.766 0.000 0.298 147 F C 1.972 177.746 175.800 -0.042 0.000 1.105 147 F CA 1.363 59.391 58.000 0.046 0.000 1.239 147 F CB -0.091 38.925 39.000 0.026 0.000 0.991 147 F HN -0.071 nan 8.300 nan 0.000 0.474 148 L N -0.803 120.410 121.223 -0.018 0.000 2.072 148 L HA -0.185 2.498 4.340 -2.761 0.000 0.205 148 L C 2.331 178.979 176.870 -0.370 0.000 1.079 148 L CA 1.618 56.256 54.840 -0.337 0.000 0.752 148 L CB -1.228 40.644 42.059 -0.313 0.000 0.906 148 L HN 0.105 nan 8.230 nan 0.000 0.436 149 T N -0.459 113.978 114.554 -0.196 0.000 2.720 149 T HA -0.196 2.497 4.350 -2.761 0.000 0.268 149 T C 2.127 176.735 174.700 -0.154 0.000 1.037 149 T CA 1.819 63.830 62.100 -0.149 0.000 1.144 149 T CB -0.273 68.551 68.868 -0.072 0.000 0.864 149 T HN 0.547 nan 8.240 nan 0.000 0.444 150 S N 1.778 117.412 115.700 -0.109 0.000 2.387 150 S HA 0.144 2.957 4.470 -2.761 0.000 0.226 150 S C 2.449 176.933 174.600 -0.194 0.000 1.026 150 S CA 0.737 58.930 58.200 -0.013 0.000 0.972 150 S CB -0.575 62.738 63.200 0.189 0.000 0.814 150 S HN 0.490 nan 8.310 nan 0.000 0.477 151 A N 2.818 125.355 122.820 -0.473 0.000 1.902 151 A HA -0.124 2.539 4.320 -2.761 0.000 0.217 151 A C 2.096 179.458 177.584 -0.371 0.000 1.181 151 A CA 1.859 53.344 52.037 -0.919 0.000 0.623 151 A CB -1.368 17.019 19.000 -1.022 0.000 0.818 151 A HN 0.651 nan 8.150 nan 0.000 0.443 152 N N -0.201 118.340 118.700 -0.264 0.000 2.149 152 N HA -0.203 2.881 4.740 -2.761 0.000 0.188 152 N C 1.656 177.113 175.510 -0.088 0.000 1.019 152 N CA 2.112 55.152 53.050 -0.017 0.000 0.857 152 N CB -0.248 38.194 38.487 -0.076 0.000 0.997 152 N HN 0.571 nan 8.380 nan 0.000 0.426 153 K N -1.745 118.511 120.400 -0.240 0.000 2.186 153 K HA -0.047 2.616 4.320 -2.761 0.000 0.202 153 K C 0.905 177.249 176.600 -0.426 0.000 1.052 153 K CA 0.934 56.992 56.287 -0.382 0.000 0.965 153 K CB 0.074 32.229 32.500 -0.575 0.000 0.746 153 K HN 0.376 nan 8.250 nan 0.000 0.457 154 H N -2.049 116.957 119.070 -0.108 0.000 3.205 154 H HA 0.069 2.972 4.556 -2.755 0.000 0.252 154 H C -0.595 174.699 175.328 -0.057 0.000 1.015 154 H CA -0.279 55.737 56.048 -0.054 0.000 1.192 154 H CB 0.250 30.035 29.762 0.038 0.000 1.474 154 H HN 0.024 nan 8.280 nan 0.000 0.484 155 F N 3.515 123.283 119.950 -0.303 0.000 2.421 155 F HA 0.233 3.092 4.527 -2.780 0.000 0.358 155 F C 0.646 176.410 175.800 -0.061 0.000 1.115 155 F CA -0.674 57.160 58.000 -0.277 0.000 1.160 155 F CB 0.407 39.050 39.000 -0.595 0.000 1.123 155 F HN -0.034 nan 8.300 nan 0.000 0.508 156 M N 5.245 124.550 119.600 -0.492 0.000 2.206 156 M HA -0.185 2.638 4.480 -2.761 0.000 0.197 156 M C -0.532 175.740 176.300 -0.047 0.000 0.375 156 M CA 0.323 55.405 55.300 -0.364 0.000 0.410 156 M CB -2.897 29.331 32.600 -0.620 0.000 1.204 156 M HN 0.192 nan 8.290 nan 0.000 0.932 157 V N 0.396 120.314 119.914 0.007 0.000 2.617 157 V HA 0.352 2.816 4.120 -2.761 0.000 0.304 157 V C 1.720 177.824 176.094 0.016 0.000 1.040 157 V CA 1.634 63.948 62.300 0.022 0.000 1.149 157 V CB 0.878 32.720 31.823 0.031 0.000 0.914 157 V HN 1.015 nan 8.190 nan 0.000 0.487 158 G N 3.386 112.140 108.800 -0.076 0.000 2.175 158 G HA2 -0.168 2.135 3.960 -2.761 0.000 0.244 158 G HA3 -0.168 2.135 3.960 -2.761 0.000 0.244 158 G C 0.011 174.601 174.900 -0.517 0.000 0.982 158 G CA 0.029 44.976 45.100 -0.254 0.000 0.641 158 G HN 0.802 nan 8.290 nan 0.000 0.527 159 H N -0.228 118.816 119.070 -0.044 0.000 2.768 159 H HA 0.393 3.293 4.556 -2.759 0.000 0.371 159 H C -2.764 172.527 175.328 -0.062 0.000 1.151 159 H CA -1.810 54.210 56.048 -0.047 0.000 1.165 159 H CB 2.140 31.860 29.762 -0.069 0.000 1.722 159 H HN 0.013 nan 8.280 nan 0.000 0.543 160 P HA 0.027 nan 4.420 nan 0.000 0.267 160 P C -0.508 176.775 177.300 -0.028 0.000 1.209 160 P CA 0.054 63.156 63.100 0.002 0.000 0.763 160 P CB 0.607 32.313 31.700 0.011 0.000 0.816 161 V N 5.474 125.321 119.914 -0.111 0.000 2.735 161 V HA 0.446 2.909 4.120 -2.761 0.000 0.310 161 V C 0.130 176.007 176.094 -0.362 0.000 1.061 161 V CA -0.569 61.604 62.300 -0.211 0.000 0.913 161 V CB 2.064 33.719 31.823 -0.280 0.000 1.005 161 V HN 0.344 nan 8.190 nan 0.000 0.428 162 I N 4.092 124.431 120.570 -0.386 0.000 2.382 162 I HA 0.445 2.959 4.170 -2.761 0.000 0.286 162 I C -0.926 174.800 176.117 -0.652 0.000 1.002 162 I CA -0.222 60.777 61.300 -0.503 0.000 1.135 162 I CB 1.395 39.107 38.000 -0.480 0.000 1.288 162 I HN 0.429 nan 8.210 nan 0.000 0.448 163 F N 5.621 125.457 119.950 -0.190 0.000 2.424 163 F HA 0.321 3.187 4.527 -2.768 0.000 0.356 163 F C -0.220 175.502 175.800 -0.130 0.000 1.110 163 F CA -0.466 57.462 58.000 -0.120 0.000 1.161 163 F CB 0.367 39.364 39.000 -0.005 0.000 1.115 163 F HN 0.317 nan 8.300 nan 0.000 0.507 164 Y N 4.465 124.949 120.300 0.306 0.000 2.385 164 Y HA 0.491 3.382 4.550 -2.764 0.000 0.341 164 Y C -0.071 175.904 175.900 0.125 0.000 0.965 164 Y CA -0.716 57.530 58.100 0.243 0.000 1.180 164 Y CB 0.654 39.232 38.460 0.197 0.000 1.139 164 Y HN 0.378 nan 8.280 nan 0.000 0.502 165 I N 4.966 125.694 120.570 0.264 0.000 2.354 165 I HA 0.292 2.805 4.170 -2.761 0.000 0.286 165 I C -0.737 175.384 176.117 0.006 0.000 1.007 165 I CA -0.596 60.757 61.300 0.089 0.000 1.167 165 I CB 0.945 39.016 38.000 0.117 0.000 1.320 165 I HN 0.484 nan 8.210 nan 0.000 0.458 166 M N 7.982 127.432 119.600 -0.250 0.000 2.088 166 M HA 0.450 3.273 4.480 -2.761 0.000 0.346 166 M C -0.472 175.725 176.300 -0.172 0.000 1.111 166 M CA -0.558 54.535 55.300 -0.346 0.000 1.017 166 M CB 1.356 33.316 32.600 -1.067 0.000 1.568 166 M HN 0.389 nan 8.290 nan 0.000 0.445 167 V N 0.319 120.216 119.914 -0.029 0.000 2.962 167 V HA 0.664 3.127 4.120 -2.761 0.000 0.313 167 V C 0.240 176.367 176.094 0.054 0.000 1.099 167 V CA -0.806 61.512 62.300 0.029 0.000 0.971 167 V CB 2.076 33.922 31.823 0.039 0.000 1.028 167 V HN 0.850 nan 8.190 nan 0.000 0.430 168 D N 0.286 120.726 120.400 0.067 0.000 2.289 168 D HA -0.016 2.967 4.640 -2.761 0.000 0.207 168 D C 0.135 176.469 176.300 0.057 0.000 0.966 168 D CA 0.724 54.763 54.000 0.066 0.000 0.868 168 D CB 0.391 41.231 40.800 0.068 0.000 0.943 168 D HN 0.638 nan 8.370 nan 0.000 0.514 169 D N 0.358 120.791 120.400 0.055 0.000 2.389 169 D HA 0.153 3.136 4.640 -2.761 0.000 0.256 169 D C 0.939 177.265 176.300 0.043 0.000 1.239 169 D CA -0.548 53.480 54.000 0.047 0.000 0.925 169 D CB 1.981 42.810 40.800 0.048 0.000 1.145 169 D HN -0.241 nan 8.370 nan 0.000 0.542 170 V N 2.436 122.373 119.914 0.039 0.000 2.970 170 V HA -0.146 2.317 4.120 -2.761 0.000 0.260 170 V C 2.321 178.435 176.094 0.033 0.000 1.100 170 V CA 1.800 64.121 62.300 0.035 0.000 1.122 170 V CB -0.435 31.404 31.823 0.027 0.000 0.721 170 V HN 0.589 nan 8.190 nan 0.000 0.483 171 S N 0.262 115.979 115.700 0.030 0.000 2.489 171 S HA -0.069 2.744 4.470 -2.761 0.000 0.228 171 S C 1.939 176.555 174.600 0.027 0.000 0.995 171 S CA 0.618 58.833 58.200 0.026 0.000 0.934 171 S CB -0.234 62.980 63.200 0.022 0.000 0.771 171 S HN 0.582 nan 8.310 nan 0.000 0.522 172 R N -0.023 120.496 120.500 0.031 0.000 2.265 172 R HA 0.366 3.049 4.340 -2.761 0.000 0.194 172 R C 0.588 176.905 176.300 0.030 0.000 0.931 172 R CA 0.052 56.170 56.100 0.030 0.000 1.032 172 R CB -0.146 30.177 30.300 0.038 0.000 0.980 172 R HN 0.489 nan 8.270 nan 0.000 0.497 173 M N 3.473 123.093 119.600 0.033 0.000 2.501 173 M HA 0.047 2.870 4.480 -2.761 0.000 0.363 173 M C -2.224 174.086 176.300 0.016 0.000 1.708 173 M CA -1.100 54.218 55.300 0.030 0.000 1.078 173 M CB 0.420 33.047 32.600 0.045 0.000 2.107 173 M HN -0.211 nan 8.290 nan 0.000 0.466 174 P HA 0.203 nan 4.420 nan 0.000 0.280 174 P C -1.369 175.904 177.300 -0.046 0.000 1.244 174 P CA -0.160 62.930 63.100 -0.017 0.000 0.784 174 P CB 0.769 32.456 31.700 -0.020 0.000 0.913 175 L N 4.514 125.717 121.223 -0.033 0.000 2.272 175 L HA 0.426 3.110 4.340 -2.761 0.000 0.289 175 L C 0.600 177.431 176.870 -0.066 0.000 1.032 175 L CA -0.635 54.175 54.840 -0.050 0.000 0.810 175 L CB 0.651 42.723 42.059 0.021 0.000 1.205 175 L HN 0.365 nan 8.230 nan 0.000 0.422 176 I N -0.591 119.904 120.570 -0.124 0.000 2.750 176 I HA 0.542 3.056 4.170 -2.761 0.000 0.308 176 I C -0.177 175.890 176.117 -0.084 0.000 1.016 176 I CA -0.816 60.422 61.300 -0.103 0.000 1.098 176 I CB 1.537 39.457 38.000 -0.133 0.000 1.279 176 I HN 0.483 nan 8.210 nan 0.000 0.454 177 E N 3.524 123.696 120.200 -0.047 0.000 2.338 177 E HA 0.395 3.088 4.350 -2.761 0.000 0.272 177 E C -1.328 175.259 176.600 -0.022 0.000 1.029 177 E CA -0.519 55.872 56.400 -0.016 0.000 0.872 177 E CB 0.953 30.649 29.700 -0.007 0.000 1.015 177 E HN 0.546 nan 8.360 nan 0.000 0.417 178 L N 3.342 124.576 121.223 0.018 0.000 2.334 178 L HA 0.491 3.174 4.340 -2.761 0.000 0.275 178 L C 0.858 177.753 176.870 0.042 0.000 1.036 178 L CA -0.786 54.081 54.840 0.044 0.000 0.807 178 L CB 1.651 43.783 42.059 0.122 0.000 1.231 178 L HN 0.666 nan 8.230 nan 0.000 0.438 179 G N 1.638 110.459 108.800 0.034 0.000 2.563 179 G HA2 0.445 2.748 3.960 -2.761 0.000 0.283 179 G HA3 0.445 2.748 3.960 -2.761 0.000 0.283 179 G C -2.607 172.306 174.900 0.021 0.000 1.309 179 G CA -1.170 43.940 45.100 0.017 0.000 1.022 179 G HN 0.353 nan 8.290 nan 0.000 0.501 180 P HA 0.175 nan 4.420 nan 0.000 0.265 180 P C 0.550 177.847 177.300 -0.006 0.000 1.193 180 P CA 0.220 63.320 63.100 -0.000 0.000 0.765 180 P CB 0.427 32.121 31.700 -0.010 0.000 0.823 181 L N -1.327 119.891 121.223 -0.009 0.000 4.937 181 L HA -0.271 2.413 4.340 -2.761 0.000 0.422 181 L C 0.266 177.112 176.870 -0.039 0.000 1.059 181 L CA 0.722 55.548 54.840 -0.022 0.000 1.111 181 L CB -1.163 40.878 42.059 -0.030 0.000 2.033 181 L HN 0.471 nan 8.230 nan 0.000 0.708 182 R N 0.402 120.894 120.500 -0.014 0.000 2.460 182 R HA 0.740 3.424 4.340 -2.761 0.000 0.303 182 R C 0.090 176.411 176.300 0.035 0.000 0.968 182 R CA 0.423 56.506 56.100 -0.028 0.000 0.889 182 R CB 1.917 32.286 30.300 0.115 0.000 1.123 182 R HN 0.266 nan 8.270 nan 0.000 0.455 183 S N 1.625 117.328 115.700 0.004 0.000 2.671 183 S HA 0.808 3.621 4.470 -2.761 0.000 0.277 183 S C -1.008 173.738 174.600 0.243 0.000 1.165 183 S CA -0.959 57.325 58.200 0.140 0.000 0.822 183 S CB 1.281 64.490 63.200 0.015 0.000 1.150 183 S HN 0.518 nan 8.310 nan 0.000 0.479 184 F N -1.151 118.792 119.950 -0.012 0.000 2.715 184 F HA 0.909 3.779 4.527 -2.761 0.000 0.318 184 F C -1.447 174.326 175.800 -0.044 0.000 1.141 184 F CA -1.196 56.802 58.000 -0.004 0.000 0.950 184 F CB 1.555 40.630 39.000 0.125 0.000 1.374 184 F HN 0.926 nan 8.300 nan 0.000 0.477 185 K N 0.796 121.180 120.400 -0.027 0.000 2.523 185 K HA 0.749 3.412 4.320 -2.761 0.000 0.257 185 K C -2.363 174.148 176.600 -0.148 0.000 0.932 185 K CA -0.981 55.166 56.287 -0.233 0.000 0.812 185 K CB 2.491 34.830 32.500 -0.267 0.000 1.326 185 K HN 0.596 nan 8.250 nan 0.000 0.433 186 V N 2.668 122.388 119.914 -0.322 0.000 2.483 186 V HA 0.539 3.003 4.120 -2.761 0.000 0.295 186 V C -1.085 174.712 176.094 -0.495 0.000 1.035 186 V CA -0.625 61.554 62.300 -0.202 0.000 0.896 186 V CB 0.667 32.482 31.823 -0.013 0.000 0.986 186 V HN 0.646 nan 8.190 nan 0.000 0.447 187 F N 2.485 122.441 119.950 0.010 0.000 2.507 187 F HA 0.495 3.364 4.527 -2.763 0.000 0.325 187 F C 0.238 176.034 175.800 -0.007 0.000 1.116 187 F CA -0.772 57.236 58.000 0.013 0.000 0.930 187 F CB 1.796 40.821 39.000 0.041 0.000 1.146 187 F HN 0.305 nan 8.300 nan 0.000 0.447 188 K N 5.371 125.877 120.400 0.178 0.000 2.312 188 K HA 0.535 3.198 4.320 -2.761 0.000 0.287 188 K C -0.736 175.941 176.600 0.129 0.000 1.062 188 K CA -0.249 56.107 56.287 0.115 0.000 0.934 188 K CB 0.471 33.019 32.500 0.080 0.000 1.027 188 K HN 0.772 nan 8.250 nan 0.000 0.478 189 I N 0.232 120.862 120.570 0.100 0.000 2.797 189 I HA 0.433 2.946 4.170 -2.761 0.000 0.307 189 I C -0.533 175.633 176.117 0.081 0.000 1.033 189 I CA -1.191 60.169 61.300 0.100 0.000 1.071 189 I CB 1.649 39.719 38.000 0.118 0.000 1.255 189 I HN 0.435 nan 8.210 nan 0.000 0.445 190 K N 4.339 124.782 120.400 0.071 0.000 2.368 190 K HA 0.333 2.997 4.320 -2.761 0.000 0.282 190 K C -2.297 174.335 176.600 0.055 0.000 1.035 190 K CA -1.373 54.946 56.287 0.054 0.000 0.973 190 K CB 0.507 33.031 32.500 0.040 0.000 0.957 190 K HN 0.484 nan 8.250 nan 0.000 0.474 191 P HA 0.093 nan 4.420 nan 0.000 0.282 191 P C -0.916 176.400 177.300 0.027 0.000 1.274 191 P CA -0.141 62.985 63.100 0.043 0.000 0.770 191 P CB 0.860 32.588 31.700 0.047 0.000 0.867 192 E N 2.896 123.104 120.200 0.014 0.000 2.392 192 E HA 0.050 2.743 4.350 -2.761 0.000 0.259 192 E C 0.945 177.543 176.600 -0.003 0.000 1.108 192 E CA -0.251 56.146 56.400 -0.004 0.000 0.916 192 E CB 0.910 30.593 29.700 -0.028 0.000 0.989 192 E HN 0.292 nan 8.360 nan 0.000 0.432 193 K N 1.056 121.449 120.400 -0.013 0.000 2.025 193 K HA -0.058 2.605 4.320 -2.761 0.000 0.207 193 K C 0.668 177.259 176.600 -0.015 0.000 1.049 193 K CA 1.176 57.459 56.287 -0.008 0.000 0.933 193 K CB 0.053 32.544 32.500 -0.014 0.000 0.714 193 K HN 0.259 nan 8.250 nan 0.000 0.438 194 R N 0.800 121.258 120.500 -0.070 0.000 2.349 194 R HA 0.078 2.761 4.340 -2.761 0.000 0.299 194 R C 1.022 177.232 176.300 -0.150 0.000 1.027 194 R CA -0.387 55.627 56.100 -0.144 0.000 0.958 194 R CB 0.515 30.658 30.300 -0.263 0.000 1.047 194 R HN 0.385 nan 8.270 nan 0.000 0.468 195 W N 3.019 124.259 121.300 -0.099 0.000 2.364 195 W HA -0.215 2.787 4.660 -2.763 0.000 0.281 195 W C 0.401 176.790 176.519 -0.216 0.000 1.219 195 W CA 0.715 57.975 57.345 -0.141 0.000 1.220 195 W CB -0.310 29.081 29.460 -0.115 0.000 1.127 195 W HN 0.567 nan 8.180 nan 0.000 0.556 196 Q N 1.189 120.342 119.800 -1.078 0.000 2.084 196 Q HA -0.160 2.523 4.340 -2.761 0.000 0.202 196 Q C 1.856 177.546 176.000 -0.517 0.000 0.978 196 Q CA 2.381 57.497 55.803 -1.145 0.000 0.844 196 Q CB -0.511 27.478 28.738 -1.249 0.000 0.898 196 Q HN 0.222 nan 8.270 nan 0.000 0.426 197 D N -0.250 119.943 120.400 -0.345 0.000 2.162 197 D HA -0.030 2.953 4.640 -2.761 0.000 0.203 197 D C 1.845 178.066 176.300 -0.132 0.000 0.967 197 D CA 0.583 54.475 54.000 -0.180 0.000 0.840 197 D CB 0.037 40.759 40.800 -0.130 0.000 0.972 197 D HN 0.246 nan 8.370 nan 0.000 0.482 198 I N 0.744 121.240 120.570 -0.123 0.000 2.118 198 I HA -0.311 2.202 4.170 -2.761 0.000 0.241 198 I C 2.598 178.611 176.117 -0.174 0.000 1.070 198 I CA 1.045 62.281 61.300 -0.107 0.000 1.327 198 I CB -0.330 37.629 38.000 -0.069 0.000 1.034 198 I HN -0.051 nan 8.210 nan 0.000 0.405 199 S N 0.430 116.039 115.700 -0.151 0.000 2.359 199 S HA -0.189 2.624 4.470 -2.761 0.000 0.224 199 S C 2.095 176.595 174.600 -0.167 0.000 1.035 199 S CA 1.558 59.665 58.200 -0.154 0.000 1.018 199 S CB -0.143 63.031 63.200 -0.043 0.000 0.876 199 S HN 0.284 nan 8.310 nan 0.000 0.448 200 M N 0.049 119.574 119.600 -0.126 0.000 2.288 200 M HA 0.054 2.877 4.480 -2.761 0.000 0.266 200 M C 2.134 178.414 176.300 -0.033 0.000 1.072 200 M CA 0.860 56.133 55.300 -0.044 0.000 1.132 200 M CB -0.262 32.339 32.600 0.001 0.000 1.386 200 M HN 0.317 nan 8.290 nan 0.000 0.432 201 M N 0.027 119.576 119.600 -0.086 0.000 2.346 201 M HA -0.158 2.665 4.480 -2.761 0.000 0.263 201 M C 1.909 178.008 176.300 -0.336 0.000 1.064 201 M CA 1.575 56.775 55.300 -0.167 0.000 1.083 201 M CB -0.975 31.556 32.600 -0.114 0.000 1.399 201 M HN 0.257 nan 8.290 nan 0.000 0.435 202 R N -0.685 119.540 120.500 -0.459 0.000 2.117 202 R HA -0.185 2.498 4.340 -2.761 0.000 0.243 202 R C 2.093 178.175 176.300 -0.364 0.000 1.143 202 R CA 1.242 56.893 56.100 -0.748 0.000 0.968 202 R CB -0.278 29.402 30.300 -1.034 0.000 0.863 202 R HN 0.311 nan 8.270 nan 0.000 0.444 203 M N 0.788 120.229 119.600 -0.264 0.000 2.065 203 M HA -0.185 2.639 4.480 -2.761 0.000 0.259 203 M C 2.164 178.272 176.300 -0.321 0.000 1.069 203 M CA 1.638 56.826 55.300 -0.188 0.000 1.110 203 M CB -0.896 31.657 32.600 -0.077 0.000 1.328 203 M HN 0.068 nan 8.290 nan 0.000 0.405 204 K N -0.338 119.640 120.400 -0.703 0.000 2.002 204 K HA -0.143 2.520 4.320 -2.761 0.000 0.209 204 K C 1.869 178.253 176.600 -0.360 0.000 1.048 204 K CA 1.983 57.778 56.287 -0.821 0.000 0.930 204 K CB -0.063 31.571 32.500 -1.444 0.000 0.714 204 K HN 0.284 nan 8.250 nan 0.000 0.438 205 T N 1.761 116.176 114.554 -0.231 0.000 2.746 205 T HA -0.122 2.571 4.350 -2.761 0.000 0.267 205 T C 1.918 176.675 174.700 0.095 0.000 1.039 205 T CA 1.510 63.619 62.100 0.014 0.000 1.142 205 T CB -0.177 68.811 68.868 0.199 0.000 0.866 205 T HN 0.194 nan 8.240 nan 0.000 0.444 206 I N 1.238 121.843 120.570 0.059 0.000 2.163 206 I HA -0.153 2.360 4.170 -2.761 0.000 0.243 206 I C 2.888 178.977 176.117 -0.047 0.000 1.085 206 I CA 1.424 62.741 61.300 0.029 0.000 1.347 206 I CB -0.702 37.328 38.000 0.050 0.000 1.044 206 I HN 0.326 nan 8.210 nan 0.000 0.408 207 G N 0.109 108.860 108.800 -0.083 0.000 2.440 207 G HA2 -0.236 2.067 3.960 -2.761 0.000 0.218 207 G HA3 -0.236 2.067 3.960 -2.761 0.000 0.218 207 G C 1.507 176.333 174.900 -0.123 0.000 1.154 207 G CA 0.708 45.743 45.100 -0.108 0.000 0.767 207 G HN 0.428 nan 8.290 nan 0.000 0.552 208 E N -0.280 119.848 120.200 -0.120 0.000 2.077 208 E HA -0.114 2.579 4.350 -2.761 0.000 0.193 208 E C 2.259 178.714 176.600 -0.241 0.000 0.989 208 E CA 0.853 57.156 56.400 -0.162 0.000 0.800 208 E CB -0.226 29.376 29.700 -0.163 0.000 0.746 208 E HN 0.533 nan 8.360 nan 0.000 0.452 209 H N 0.254 119.159 119.070 -0.275 0.000 2.389 209 H HA -0.049 2.851 4.556 -2.760 0.000 0.299 209 H C 2.329 177.294 175.328 -0.605 0.000 1.081 209 H CA 0.982 56.764 56.048 -0.443 0.000 1.345 209 H CB 0.031 29.489 29.762 -0.507 0.000 1.393 209 H HN 0.167 nan 8.280 nan 0.000 0.520 210 I N 0.288 120.667 120.570 -0.318 0.000 2.118 210 I HA -0.278 2.236 4.170 -2.761 0.000 0.241 210 I C 2.554 178.494 176.117 -0.295 0.000 1.070 210 I CA 1.056 62.165 61.300 -0.318 0.000 1.327 210 I CB -0.291 37.585 38.000 -0.207 0.000 1.034 210 I HN 0.008 nan 8.210 nan 0.000 0.405 211 V N 0.901 120.683 119.914 -0.219 0.000 2.295 211 V HA -0.297 2.166 4.120 -2.761 0.000 0.246 211 V C 2.682 178.699 176.094 -0.128 0.000 1.049 211 V CA 2.060 64.260 62.300 -0.167 0.000 1.024 211 V CB -1.079 30.674 31.823 -0.117 0.000 0.648 211 V HN 0.513 nan 8.190 nan 0.000 0.447 212 A N 0.212 122.955 122.820 -0.128 0.000 1.902 212 A HA -0.219 2.444 4.320 -2.761 0.000 0.217 212 A C 1.952 179.623 177.584 0.145 0.000 1.181 212 A CA 2.648 54.677 52.037 -0.013 0.000 0.623 212 A CB -0.435 18.530 19.000 -0.059 0.000 0.818 212 A HN 0.973 nan 8.150 nan 0.000 0.443 213 H N -5.256 113.800 119.070 -0.023 0.000 3.049 213 H HA 0.332 3.231 4.556 -2.761 0.000 0.212 213 H C 1.524 176.858 175.328 0.011 0.000 0.894 213 H CA 0.133 56.232 56.048 0.085 0.000 0.968 213 H CB -0.313 29.515 29.762 0.110 0.000 1.271 213 H HN 0.174 nan 8.280 nan 0.000 0.531 214 I N 2.369 122.572 120.570 -0.611 0.000 2.264 214 I HA -0.288 2.225 4.170 -2.761 0.000 0.248 214 I C 2.545 178.542 176.117 -0.200 0.000 1.111 214 I CA 2.140 63.201 61.300 -0.399 0.000 1.382 214 I CB -0.356 37.286 38.000 -0.597 0.000 1.060 214 I HN 0.513 nan 8.210 nan 0.000 0.418 215 Q N 0.227 119.842 119.800 -0.307 0.000 2.234 215 Q HA -0.226 2.457 4.340 -2.761 0.000 0.206 215 Q C 1.621 177.439 176.000 -0.304 0.000 0.980 215 Q CA 1.579 57.184 55.803 -0.332 0.000 0.869 215 Q CB -0.419 28.059 28.738 -0.433 0.000 0.912 215 Q HN 0.584 nan 8.270 nan 0.000 0.436 216 H N -0.040 119.022 119.070 -0.013 0.000 2.563 216 H HA 0.186 3.085 4.556 -2.760 0.000 0.264 216 H C 0.770 176.124 175.328 0.043 0.000 0.957 216 H CA 0.888 56.946 56.048 0.016 0.000 1.173 216 H CB 0.560 30.342 29.762 0.033 0.000 1.420 216 H HN 0.564 nan 8.280 nan 0.000 0.551 217 E N 0.572 120.863 120.200 0.151 0.000 2.372 217 E HA 0.096 2.789 4.350 -2.761 0.000 0.201 217 E C 0.461 177.138 176.600 0.129 0.000 0.938 217 E CA 0.127 56.633 56.400 0.177 0.000 0.944 217 E CB 1.297 31.177 29.700 0.300 0.000 0.937 217 E HN 0.123 nan 8.360 nan 0.000 0.495 218 V N -1.884 118.083 119.914 0.088 0.000 3.040 218 V HA 0.347 2.810 4.120 -2.761 0.000 0.312 218 V C -0.208 175.857 176.094 -0.048 0.000 1.115 218 V CA -0.842 61.493 62.300 0.058 0.000 0.998 218 V CB 2.232 34.137 31.823 0.137 0.000 1.042 218 V HN -0.138 nan 8.190 nan 0.000 0.433 219 D N 0.755 121.093 120.400 -0.105 0.000 2.277 219 D HA 0.221 3.204 4.640 -2.761 0.000 0.209 219 D C -0.204 175.694 176.300 -0.670 0.000 0.970 219 D CA 1.566 55.350 54.000 -0.361 0.000 0.874 219 D CB 0.503 41.095 40.800 -0.347 0.000 0.982 219 D HN 0.520 nan 8.370 nan 0.000 0.504 220 F N -0.027 119.897 119.950 -0.043 0.000 2.603 220 F HA 0.481 3.363 4.527 -2.741 0.000 0.317 220 F C -0.607 175.184 175.800 -0.015 0.000 1.066 220 F CA -1.206 56.751 58.000 -0.072 0.000 0.941 220 F CB 2.228 41.150 39.000 -0.131 0.000 1.291 220 F HN -0.327 nan 8.300 nan 0.000 0.472 221 L N 1.904 123.206 121.223 0.131 0.000 2.436 221 L HA 0.657 3.340 4.340 -2.761 0.000 0.268 221 L C -1.946 174.892 176.870 -0.054 0.000 0.974 221 L CA -0.365 54.542 54.840 0.111 0.000 0.826 221 L CB 1.418 43.507 42.059 0.050 0.000 1.291 221 L HN 0.456 nan 8.230 nan 0.000 0.406 222 F N 2.995 123.045 119.950 0.167 0.000 2.458 222 F HA 0.625 3.496 4.527 -2.761 0.000 0.330 222 F C -0.160 175.573 175.800 -0.111 0.000 1.082 222 F CA -0.201 57.827 58.000 0.048 0.000 0.995 222 F CB 1.755 40.853 39.000 0.164 0.000 1.170 222 F HN 0.394 nan 8.300 nan 0.000 0.478 223 C N 4.365 123.557 119.300 -0.180 0.000 2.340 223 C HA 0.730 3.533 4.460 -2.761 0.000 0.323 223 C C -0.289 174.514 174.990 -0.313 0.000 1.260 223 C CA -1.047 57.744 59.018 -0.378 0.000 1.464 223 C CB -0.030 27.173 27.740 -0.894 0.000 2.156 223 C HN 0.686 nan 8.230 nan 0.000 0.476 224 M N 1.997 121.521 119.600 -0.128 0.000 2.518 224 M HA 0.347 3.170 4.480 -2.761 0.000 0.300 224 M C -0.950 175.238 176.300 -0.187 0.000 1.175 224 M CA -0.447 54.784 55.300 -0.115 0.000 0.890 224 M CB 1.793 34.395 32.600 0.003 0.000 1.710 224 M HN 0.546 nan 8.290 nan 0.000 0.453 225 D N 1.041 121.325 120.400 -0.194 0.000 2.378 225 D HA 0.002 2.985 4.640 -2.761 0.000 0.238 225 D C 0.620 176.682 176.300 -0.396 0.000 1.180 225 D CA 0.078 53.941 54.000 -0.228 0.000 0.895 225 D CB 1.362 42.035 40.800 -0.211 0.000 1.192 225 D HN 0.337 nan 8.370 nan 0.000 0.438 226 V N 1.164 120.870 119.914 -0.347 0.000 3.052 226 V HA -0.094 2.369 4.120 -2.761 0.000 0.254 226 V C 0.617 176.605 176.094 -0.177 0.000 1.100 226 V CA 0.891 62.932 62.300 -0.432 0.000 1.112 226 V CB -0.199 31.529 31.823 -0.159 0.000 0.738 226 V HN 0.561 nan 8.190 nan 0.000 0.469 227 D N 1.909 122.144 120.400 -0.275 0.000 3.032 227 D HA 0.068 3.051 4.640 -2.761 0.000 0.241 227 D C 0.170 176.329 176.300 -0.234 0.000 1.196 227 D CA -0.111 53.534 54.000 -0.592 0.000 0.927 227 D CB -0.212 40.088 40.800 -0.834 0.000 1.129 227 D HN 0.774 nan 8.370 nan 0.000 0.458 228 Q N -1.699 118.101 119.800 -0.001 0.000 2.575 228 Q HA 0.558 3.242 4.340 -2.761 0.000 0.290 228 Q C -1.681 174.426 176.000 0.178 0.000 0.963 228 Q CA -1.294 54.564 55.803 0.092 0.000 0.783 228 Q CB 2.138 30.888 28.738 0.019 0.000 1.467 228 Q HN 0.024 nan 8.270 nan 0.000 0.402 229 V N 0.085 120.055 119.914 0.094 0.000 2.808 229 V HA 0.624 3.087 4.120 -2.761 0.000 0.308 229 V C -1.554 174.540 176.094 -0.000 0.000 1.099 229 V CA -0.680 61.662 62.300 0.070 0.000 0.920 229 V CB 1.523 33.444 31.823 0.164 0.000 1.014 229 V HN 0.740 nan 8.190 nan 0.000 0.425 230 F N 4.740 124.681 119.950 -0.015 0.000 2.529 230 F HA 0.413 3.275 4.527 -2.774 0.000 0.365 230 F C 1.523 177.358 175.800 0.059 0.000 1.102 230 F CA 0.332 58.352 58.000 0.034 0.000 1.271 230 F CB 1.134 40.170 39.000 0.061 0.000 1.120 230 F HN 0.572 nan 8.300 nan 0.000 0.579 231 Q N 0.788 120.636 119.800 0.079 0.000 2.322 231 Q HA 0.180 2.863 4.340 -2.761 0.000 0.250 231 Q C -0.172 175.595 176.000 -0.388 0.000 0.853 231 Q CA 0.438 56.218 55.803 -0.040 0.000 0.951 231 Q CB 1.013 29.799 28.738 0.081 0.000 1.114 231 Q HN 0.659 nan 8.270 nan 0.000 0.523 232 D N -0.489 119.584 120.400 -0.545 0.000 2.768 232 D HA 0.153 3.136 4.640 -2.761 0.000 0.327 232 D C -0.900 175.268 176.300 -0.220 0.000 1.302 232 D CA -0.494 53.190 54.000 -0.527 0.000 0.897 232 D CB 1.404 42.107 40.800 -0.162 0.000 1.420 232 D HN -0.319 nan 8.370 nan 0.000 0.494 233 K N 0.875 121.295 120.400 0.034 0.000 2.484 233 K HA 0.096 2.759 4.320 -2.761 0.000 0.280 233 K C -0.293 176.433 176.600 0.210 0.000 1.013 233 K CA 0.350 56.749 56.287 0.188 0.000 1.029 233 K CB -0.035 32.565 32.500 0.167 0.000 0.902 233 K HN 0.325 nan 8.250 nan 0.000 0.481 234 F N 2.282 122.313 119.950 0.134 0.000 2.564 234 F HA 0.323 3.318 4.527 -2.552 0.000 0.361 234 F C 0.451 176.224 175.800 -0.044 0.000 1.161 234 F CA -0.468 57.640 58.000 0.180 0.000 1.198 234 F CB 0.703 39.968 39.000 0.441 0.000 1.424 234 F HN 0.589 nan 8.300 nan 0.000 0.517 235 G N 1.285 110.076 108.800 -0.016 0.000 2.990 235 G HA2 0.326 2.629 3.960 -2.761 0.000 0.208 235 G HA3 0.326 2.629 3.960 -2.761 0.000 0.208 235 G C 0.778 175.522 174.900 -0.259 0.000 1.334 235 G CA -0.065 44.962 45.100 -0.121 0.000 1.024 235 G HN 0.464 nan 8.290 nan 0.000 0.574 236 V N -0.511 119.240 119.914 -0.271 0.000 3.078 236 V HA -0.033 2.430 4.120 -2.761 0.000 0.265 236 V C 2.213 178.056 176.094 -0.419 0.000 1.122 236 V CA 2.139 64.195 62.300 -0.407 0.000 1.141 236 V CB -0.621 30.994 31.823 -0.348 0.000 0.735 236 V HN 0.723 nan 8.190 nan 0.000 0.498 237 E N 2.793 122.750 120.200 -0.404 0.000 2.401 237 E HA -0.221 2.472 4.350 -2.761 0.000 0.199 237 E C 1.783 178.047 176.600 -0.560 0.000 1.023 237 E CA 1.800 57.881 56.400 -0.532 0.000 0.859 237 E CB -0.779 28.608 29.700 -0.523 0.000 0.780 237 E HN 0.815 nan 8.360 nan 0.000 0.523 238 T N -1.341 112.919 114.554 -0.490 0.000 3.044 238 T HA 0.245 2.938 4.350 -2.761 0.000 0.250 238 T C 1.159 175.749 174.700 -0.183 0.000 1.081 238 T CA -0.366 61.509 62.100 -0.374 0.000 1.040 238 T CB -0.205 68.409 68.868 -0.424 0.000 0.962 238 T HN 0.010 nan 8.240 nan 0.000 0.506 239 L N 1.664 122.638 121.223 -0.414 0.000 2.439 239 L HA 0.641 3.324 4.340 -2.761 0.000 0.269 239 L C 0.944 177.465 176.870 -0.582 0.000 1.179 239 L CA 0.013 54.436 54.840 -0.695 0.000 0.828 239 L CB 0.594 41.860 42.059 -1.322 0.000 1.106 239 L HN 0.490 nan 8.230 nan 0.000 0.467 240 G N 1.020 109.517 108.800 -0.504 0.000 2.349 240 G HA2 0.131 2.435 3.960 -2.761 0.000 0.294 240 G HA3 0.131 2.435 3.960 -2.761 0.000 0.294 240 G C -0.119 174.848 174.900 0.112 0.000 1.380 240 G CA -0.472 44.556 45.100 -0.120 0.000 0.811 240 G HN 0.438 nan 8.290 nan 0.000 0.519 241 E N -0.404 119.902 120.200 0.176 0.000 2.031 241 E HA -0.049 2.644 4.350 -2.761 0.000 0.193 241 E C 1.296 177.978 176.600 0.136 0.000 0.994 241 E CA 1.913 58.423 56.400 0.184 0.000 0.800 241 E CB -0.138 29.651 29.700 0.149 0.000 0.752 241 E HN 0.646 nan 8.360 nan 0.000 0.447 242 S N -0.189 115.580 115.700 0.116 0.000 2.614 242 S HA 0.531 3.345 4.470 -2.761 0.000 0.288 242 S C -0.546 174.082 174.600 0.047 0.000 1.137 242 S CA -0.963 57.320 58.200 0.138 0.000 0.992 242 S CB 2.113 65.469 63.200 0.260 0.000 1.026 242 S HN -0.096 nan 8.310 nan 0.000 0.486 243 V N 2.054 121.985 119.914 0.027 0.000 2.487 243 V HA 0.892 3.355 4.120 -2.761 0.000 0.298 243 V C 0.272 176.351 176.094 -0.024 0.000 1.028 243 V CA -0.518 61.761 62.300 -0.036 0.000 0.860 243 V CB 1.190 33.002 31.823 -0.019 0.000 0.991 243 V HN 1.228 nan 8.190 nan 0.000 0.427 244 A N 3.620 126.292 122.820 -0.246 0.000 2.356 244 A HA 0.893 3.556 4.320 -2.761 0.000 0.323 244 A C -0.773 176.820 177.584 0.014 0.000 1.119 244 A CA -0.710 51.140 52.037 -0.312 0.000 0.790 244 A CB 1.885 20.142 19.000 -1.239 0.000 1.273 244 A HN 0.754 nan 8.150 nan 0.000 0.452 245 Q N 1.017 120.940 119.800 0.205 0.000 2.322 245 Q HA 0.591 3.274 4.340 -2.761 0.000 0.265 245 Q C -1.541 174.654 176.000 0.326 0.000 0.985 245 Q CA -0.201 55.752 55.803 0.251 0.000 0.849 245 Q CB 1.046 29.971 28.738 0.311 0.000 1.274 245 Q HN 0.632 nan 8.270 nan 0.000 0.449 246 L N 3.718 125.067 121.223 0.210 0.000 2.418 246 L HA 0.201 2.884 4.340 -2.761 0.000 0.274 246 L C 0.600 177.646 176.870 0.293 0.000 1.135 246 L CA -0.271 54.694 54.840 0.208 0.000 0.870 246 L CB 0.728 42.846 42.059 0.098 0.000 1.154 246 L HN 0.576 nan 8.230 nan 0.000 0.462 247 Q N 2.153 122.157 119.800 0.341 0.000 2.289 247 Q HA 0.026 2.710 4.340 -2.761 0.000 0.273 247 Q C 0.829 177.079 176.000 0.416 0.000 1.029 247 Q CA 0.262 56.290 55.803 0.375 0.000 0.896 247 Q CB 1.607 30.623 28.738 0.463 0.000 1.182 247 Q HN 0.830 nan 8.270 nan 0.000 0.385 248 A N 4.193 127.200 122.820 0.311 0.000 1.978 248 A HA -0.178 2.485 4.320 -2.761 0.000 0.220 248 A C 1.232 178.811 177.584 -0.008 0.000 1.170 248 A CA 1.097 53.183 52.037 0.081 0.000 0.636 248 A CB -0.453 18.257 19.000 -0.483 0.000 0.810 248 A HN 0.894 nan 8.150 nan 0.000 0.448 249 W N -2.797 118.442 121.300 -0.102 0.000 2.905 249 W HA 0.162 3.167 4.660 -2.759 0.000 0.251 249 W C 1.128 177.370 176.519 -0.463 0.000 1.305 249 W CA -0.022 57.091 57.345 -0.388 0.000 1.465 249 W CB -0.140 28.943 29.460 -0.628 0.000 1.122 249 W HN 0.513 nan 8.180 nan 0.000 0.659 250 W N -2.037 119.433 121.300 0.285 0.000 2.534 250 W HA 0.125 3.123 4.660 -2.771 0.000 0.339 250 W C 1.805 178.487 176.519 0.272 0.000 0.961 250 W CA -0.590 56.882 57.345 0.210 0.000 1.545 250 W CB -0.865 28.615 29.460 0.033 0.000 1.104 250 W HN -0.025 nan 8.180 nan 0.000 0.538 251 Y N 0.517 121.056 120.300 0.398 0.000 2.333 251 Y HA -0.012 2.904 4.550 -2.723 0.000 0.290 251 Y C 1.603 177.755 175.900 0.419 0.000 1.144 251 Y CA 1.461 59.803 58.100 0.403 0.000 1.228 251 Y CB -0.543 38.131 38.460 0.357 0.000 0.985 251 Y HN -0.174 nan 8.280 nan 0.000 0.542 252 K N 0.853 121.101 120.400 -0.252 0.000 2.374 252 K HA 0.381 3.044 4.320 -2.761 0.000 0.196 252 K C 0.718 177.360 176.600 0.070 0.000 1.023 252 K CA 0.263 56.454 56.287 -0.159 0.000 1.103 252 K CB 0.293 32.566 32.500 -0.379 0.000 0.848 252 K HN 0.335 nan 8.250 nan 0.000 0.528 253 A N 1.787 124.757 122.820 0.250 0.000 2.332 253 A HA 0.117 2.781 4.320 -2.761 0.000 0.258 253 A C -0.617 177.055 177.584 0.147 0.000 1.087 253 A CA -0.412 51.804 52.037 0.297 0.000 0.802 253 A CB 0.253 19.630 19.000 0.628 0.000 1.042 253 A HN 0.069 nan 8.150 nan 0.000 0.489 254 D N 2.122 122.502 120.400 -0.033 0.000 2.351 254 D HA 0.310 3.293 4.640 -2.761 0.000 0.251 254 D C -1.781 174.110 176.300 -0.683 0.000 1.137 254 D CA -1.421 52.445 54.000 -0.224 0.000 0.879 254 D CB 0.560 41.288 40.800 -0.120 0.000 1.181 254 D HN 0.166 nan 8.370 nan 0.000 0.448 255 P HA -0.144 nan 4.420 nan 0.000 0.218 255 P C 0.621 177.411 177.300 -0.850 0.000 1.146 255 P CA 0.976 63.130 63.100 -1.577 0.000 0.813 255 P CB 0.242 31.613 31.700 -0.547 0.000 0.778 256 N N -0.920 117.564 118.700 -0.359 0.000 2.461 256 N HA -0.050 3.033 4.740 -2.761 0.000 0.188 256 N C 0.466 175.982 175.510 0.010 0.000 1.134 256 N CA 0.758 53.800 53.050 -0.013 0.000 0.878 256 N CB -0.167 38.372 38.487 0.086 0.000 0.972 256 N HN 0.233 nan 8.380 nan 0.000 0.456 257 D N -0.144 120.164 120.400 -0.153 0.000 2.360 257 D HA 0.086 3.070 4.640 -2.761 0.000 0.210 257 D C 0.398 176.615 176.300 -0.139 0.000 1.047 257 D CA -0.087 53.910 54.000 -0.005 0.000 0.854 257 D CB 0.150 41.041 40.800 0.152 0.000 0.936 257 D HN 0.178 nan 8.370 nan 0.000 0.514 258 F N 1.679 121.345 119.950 -0.473 0.000 2.563 258 F HA -0.019 2.855 4.527 -2.755 0.000 0.363 258 F C 1.783 177.018 175.800 -0.941 0.000 1.123 258 F CA -0.161 57.209 58.000 -1.051 0.000 1.307 258 F CB 0.625 38.887 39.000 -1.230 0.000 1.115 258 F HN -0.189 nan 8.300 nan 0.000 0.592 259 T N 0.963 114.883 114.554 -1.056 0.000 3.820 259 T HA 0.159 2.852 4.350 -2.761 0.000 0.224 259 T C -0.161 174.501 174.700 -0.063 0.000 0.869 259 T CA -0.334 61.481 62.100 -0.476 0.000 0.932 259 T CB -1.347 67.276 68.868 -0.408 0.000 1.259 259 T HN 0.351 nan 8.240 nan 0.000 0.676 260 Y N 0.862 121.165 120.300 0.005 0.000 2.511 260 Y HA 0.176 3.067 4.550 -2.765 0.000 0.347 260 Y C 1.165 177.075 175.900 0.017 0.000 1.257 260 Y CA -1.230 56.919 58.100 0.081 0.000 1.469 260 Y CB 0.483 38.938 38.460 -0.009 0.000 1.353 260 Y HN 0.293 nan 8.280 nan 0.000 0.617 261 E N 2.056 122.364 120.200 0.180 0.000 2.351 261 E HA -0.001 2.693 4.350 -2.761 0.000 0.266 261 E C -0.069 176.573 176.600 0.070 0.000 1.031 261 E CA 0.050 56.493 56.400 0.072 0.000 0.911 261 E CB 0.459 30.154 29.700 -0.009 0.000 0.986 261 E HN 0.388 nan 8.360 nan 0.000 0.446 262 R N 3.965 124.514 120.500 0.081 0.000 2.397 262 R HA 0.195 2.879 4.340 -2.761 0.000 0.241 262 R C -0.138 176.307 176.300 0.242 0.000 0.914 262 R CA -0.070 56.089 56.100 0.099 0.000 1.071 262 R CB 0.176 30.450 30.300 -0.044 0.000 1.116 262 R HN 0.387 nan 8.270 nan 0.000 0.524 263 R N 1.852 122.440 120.500 0.147 0.000 2.221 263 R HA 0.123 2.806 4.340 -2.761 0.000 0.327 263 R C 1.212 177.392 176.300 -0.200 0.000 1.033 263 R CA -0.151 55.939 56.100 -0.017 0.000 0.887 263 R CB 0.970 31.252 30.300 -0.031 0.000 1.057 263 R HN 0.081 nan 8.270 nan 0.000 0.455 264 K N 1.553 121.595 120.400 -0.598 0.000 2.442 264 K HA -0.137 2.526 4.320 -2.761 0.000 0.198 264 K C 0.222 176.585 176.600 -0.394 0.000 1.042 264 K CA 1.274 56.972 56.287 -0.983 0.000 0.958 264 K CB 0.255 32.177 32.500 -0.964 0.000 0.766 264 K HN 0.422 nan 8.250 nan 0.000 0.474 265 E N 1.289 121.354 120.200 -0.225 0.000 2.285 265 E HA 0.014 2.707 4.350 -2.761 0.000 0.194 265 E C 0.354 176.908 176.600 -0.078 0.000 0.997 265 E CA 0.248 56.572 56.400 -0.127 0.000 0.845 265 E CB 0.362 30.003 29.700 -0.097 0.000 0.782 265 E HN 0.231 nan 8.360 nan 0.000 0.491 266 S N -0.414 115.251 115.700 -0.060 0.000 2.562 266 S HA 0.423 3.237 4.470 -2.761 0.000 0.275 266 S C 1.209 175.822 174.600 0.023 0.000 1.281 266 S CA -0.019 58.171 58.200 -0.016 0.000 1.045 266 S CB 1.220 64.401 63.200 -0.030 0.000 0.962 266 S HN 0.217 nan 8.310 nan 0.000 0.503 267 A N 4.162 127.010 122.820 0.047 0.000 2.076 267 A HA 0.087 2.750 4.320 -2.761 0.000 0.220 267 A C 1.968 179.586 177.584 0.056 0.000 1.160 267 A CA 1.681 53.762 52.037 0.073 0.000 0.653 267 A CB -0.880 18.187 19.000 0.111 0.000 0.801 267 A HN 1.173 nan 8.150 nan 0.000 0.455 268 A N -1.872 120.919 122.820 -0.050 0.000 2.278 268 A HA 0.298 2.962 4.320 -2.761 0.000 0.212 268 A C 0.619 178.152 177.584 -0.085 0.000 1.213 268 A CA -0.417 51.517 52.037 -0.173 0.000 0.840 268 A CB -0.599 18.067 19.000 -0.556 0.000 0.866 268 A HN 0.512 nan 8.150 nan 0.000 0.489 269 Y N 0.839 121.060 120.300 -0.132 0.000 2.721 269 Y HA 0.276 3.171 4.550 -2.760 0.000 0.329 269 Y C -0.289 175.519 175.900 -0.152 0.000 1.211 269 Y CA -0.075 57.951 58.100 -0.123 0.000 1.512 269 Y CB -0.092 38.312 38.460 -0.093 0.000 1.249 269 Y HN 0.227 nan 8.280 nan 0.000 0.549 270 I N 9.740 129.854 120.570 -0.761 0.000 2.447 270 I HA 0.309 2.822 4.170 -2.761 0.000 0.287 270 I C -2.269 173.222 176.117 -1.042 0.000 1.023 270 I CA -2.303 58.489 61.300 -0.848 0.000 1.083 270 I CB 2.018 39.575 38.000 -0.738 0.000 1.245 270 I HN 0.514 nan 8.210 nan 0.000 0.434 271 P HA 0.143 nan 4.420 nan 0.000 0.274 271 P C -0.548 176.571 177.300 -0.303 0.000 1.237 271 P CA -0.132 62.625 63.100 -0.571 0.000 0.793 271 P CB 0.444 32.018 31.700 -0.210 0.000 0.977 272 F N 0.262 120.208 119.950 -0.007 0.000 2.602 272 F HA 0.279 3.149 4.527 -2.761 0.000 0.367 272 F C 2.049 177.850 175.800 0.001 0.000 1.126 272 F CA 1.817 59.826 58.000 0.014 0.000 1.321 272 F CB -0.422 38.593 39.000 0.025 0.000 1.094 272 F HN 0.690 nan 8.300 nan 0.000 0.594 273 G N 1.143 110.053 108.800 0.185 0.000 2.175 273 G HA2 -0.223 2.080 3.960 -2.761 0.000 0.244 273 G HA3 -0.223 2.080 3.960 -2.761 0.000 0.244 273 G C -0.216 174.715 174.900 0.052 0.000 0.982 273 G CA -0.239 44.917 45.100 0.093 0.000 0.641 273 G HN 0.600 nan 8.290 nan 0.000 0.527 274 E N -0.612 119.614 120.200 0.044 0.000 2.312 274 E HA 0.612 3.305 4.350 -2.761 0.000 0.267 274 E C 0.127 176.794 176.600 0.111 0.000 0.894 274 E CA -0.282 56.132 56.400 0.023 0.000 0.773 274 E CB 2.263 31.924 29.700 -0.065 0.000 1.241 274 E HN 1.479 nan 8.360 nan 0.000 0.432 275 G N 1.823 110.695 108.800 0.121 0.000 2.535 275 G HA2 -0.084 2.220 3.960 -2.761 0.000 0.662 275 G HA3 -0.084 2.220 3.960 -2.761 0.000 0.662 275 G C -0.566 174.466 174.900 0.220 0.000 1.417 275 G CA -0.666 44.603 45.100 0.280 0.000 0.866 275 G HN 0.522 nan 8.290 nan 0.000 0.647 276 D N -0.180 120.368 120.400 0.247 0.000 2.566 276 D HA 0.286 3.269 4.640 -2.761 0.000 0.253 276 D C 0.574 176.666 176.300 -0.347 0.000 0.992 276 D CA 1.277 55.271 54.000 -0.010 0.000 0.940 276 D CB 0.394 41.382 40.800 0.313 0.000 1.095 276 D HN 0.310 nan 8.370 nan 0.000 0.480 277 F N -1.159 118.971 119.950 0.300 0.000 2.685 277 F HA 0.329 3.221 4.527 -2.725 0.000 0.315 277 F C -0.968 174.597 175.800 -0.391 0.000 1.126 277 F CA -1.317 56.694 58.000 0.019 0.000 0.950 277 F CB 1.677 40.499 39.000 -0.296 0.000 1.360 277 F HN -0.284 nan 8.300 nan 0.000 0.469 278 Y N 1.909 121.758 120.300 -0.752 0.000 2.434 278 Y HA 0.475 3.368 4.550 -2.761 0.000 0.341 278 Y C -1.187 174.531 175.900 -0.304 0.000 0.965 278 Y CA -0.842 56.776 58.100 -0.803 0.000 1.205 278 Y CB 0.272 37.874 38.460 -1.430 0.000 1.121 278 Y HN 0.410 nan 8.280 nan 0.000 0.507 279 Y N 4.228 124.368 120.300 -0.268 0.000 2.310 279 Y HA 0.200 3.083 4.550 -2.779 0.000 0.326 279 Y C 0.343 176.185 175.900 -0.097 0.000 1.151 279 Y CA -0.508 57.566 58.100 -0.043 0.000 1.195 279 Y CB 0.637 39.188 38.460 0.151 0.000 1.210 279 Y HN 0.547 nan 8.280 nan 0.000 0.483 280 H N 1.631 120.805 119.070 0.173 0.000 2.527 280 H HA 0.365 3.257 4.556 -2.774 0.000 0.321 280 H C 0.245 175.676 175.328 0.171 0.000 1.087 280 H CA -0.235 55.895 56.048 0.138 0.000 1.337 280 H CB 1.438 31.323 29.762 0.206 0.000 1.440 280 H HN 0.982 nan 8.280 nan 0.000 0.490 281 A N 4.104 126.991 122.820 0.113 0.000 2.167 281 A HA 0.008 2.672 4.320 -2.761 0.000 0.214 281 A C 2.142 179.712 177.584 -0.023 0.000 1.151 281 A CA 0.934 53.019 52.037 0.081 0.000 0.735 281 A CB -0.342 18.716 19.000 0.098 0.000 0.802 281 A HN 0.793 nan 8.150 nan 0.000 0.467 282 A N -0.495 122.023 122.820 -0.503 0.000 2.121 282 A HA 0.314 2.977 4.320 -2.761 0.000 0.218 282 A C 0.767 178.242 177.584 -0.182 0.000 1.154 282 A CA 0.735 52.481 52.037 -0.485 0.000 0.679 282 A CB -0.237 18.196 19.000 -0.944 0.000 0.795 282 A HN 0.448 nan 8.150 nan 0.000 0.458 283 I N -0.422 120.145 120.570 -0.004 0.000 2.548 283 I HA 0.486 2.999 4.170 -2.761 0.000 0.287 283 I C -1.207 175.141 176.117 0.386 0.000 1.103 283 I CA -0.706 60.690 61.300 0.159 0.000 1.049 283 I CB 2.064 40.186 38.000 0.204 0.000 1.232 283 I HN 0.296 nan 8.210 nan 0.000 0.429 284 F N 3.557 123.674 119.950 0.278 0.000 2.668 284 F HA 0.989 3.854 4.527 -2.769 0.000 0.309 284 F C -0.246 175.672 175.800 0.197 0.000 1.117 284 F CA -0.605 57.556 58.000 0.268 0.000 0.951 284 F CB 1.686 40.816 39.000 0.217 0.000 1.323 284 F HN 0.506 nan 8.300 nan 0.000 0.451 285 G N -0.535 108.324 108.800 0.098 0.000 2.706 285 G HA2 0.825 3.128 3.960 -2.761 0.000 0.307 285 G HA3 0.825 3.128 3.960 -2.761 0.000 0.307 285 G C -0.815 173.967 174.900 -0.196 0.000 1.307 285 G CA -0.472 44.385 45.100 -0.405 0.000 0.790 285 G HN 1.956 nan 8.290 nan 0.000 0.503 286 G N -1.735 106.909 108.800 -0.260 0.000 2.350 286 G HA2 0.550 2.853 3.960 -2.761 0.000 0.282 286 G HA3 0.550 2.853 3.960 -2.761 0.000 0.282 286 G C -0.035 174.926 174.900 0.102 0.000 1.314 286 G CA 0.775 45.871 45.100 -0.006 0.000 0.915 286 G HN 1.878 nan 8.290 nan 0.000 0.499 287 T N -0.565 114.057 114.554 0.114 0.000 2.900 287 T HA 0.483 3.176 4.350 -2.761 0.000 0.307 287 T C -1.201 173.467 174.700 -0.053 0.000 1.065 287 T CA -0.262 61.808 62.100 -0.049 0.000 1.105 287 T CB 1.557 70.364 68.868 -0.102 0.000 0.979 287 T HN 0.220 nan 8.240 nan 0.000 0.544 288 P HA -0.091 nan 4.420 nan 0.000 0.217 288 P C 1.610 178.859 177.300 -0.084 0.000 1.148 288 P CA 1.085 64.126 63.100 -0.098 0.000 0.828 288 P CB -0.218 31.399 31.700 -0.139 0.000 0.783 289 T N -0.604 113.905 114.554 -0.075 0.000 2.674 289 T HA -0.171 2.522 4.350 -2.761 0.000 0.265 289 T C 1.814 176.502 174.700 -0.021 0.000 1.039 289 T CA 1.238 63.307 62.100 -0.051 0.000 1.150 289 T CB -0.625 68.218 68.868 -0.041 0.000 0.864 289 T HN 0.155 nan 8.240 nan 0.000 0.427 290 Q N 0.533 120.336 119.800 0.005 0.000 2.079 290 Q HA -0.001 2.682 4.340 -2.761 0.000 0.200 290 Q C 2.693 178.698 176.000 0.009 0.000 0.974 290 Q CA 0.895 56.723 55.803 0.042 0.000 0.840 290 Q CB -0.929 27.862 28.738 0.088 0.000 0.898 290 Q HN 0.409 nan 8.270 nan 0.000 0.430 291 V N 1.383 121.302 119.914 0.008 0.000 2.407 291 V HA -0.236 2.228 4.120 -2.761 0.000 0.248 291 V C 2.368 178.441 176.094 -0.036 0.000 1.055 291 V CA 1.385 63.699 62.300 0.024 0.000 1.049 291 V CB -0.722 31.124 31.823 0.040 0.000 0.662 291 V HN 0.214 nan 8.190 nan 0.000 0.455 292 L N 0.981 122.170 121.223 -0.057 0.000 2.042 292 L HA -0.195 2.489 4.340 -2.761 0.000 0.210 292 L C 2.122 178.938 176.870 -0.090 0.000 1.076 292 L CA 2.407 57.201 54.840 -0.076 0.000 0.749 292 L CB -0.969 41.043 42.059 -0.078 0.000 0.893 292 L HN 0.390 nan 8.230 nan 0.000 0.432 293 N N -0.616 118.038 118.700 -0.076 0.000 2.188 293 N HA -0.143 2.940 4.740 -2.761 0.000 0.184 293 N C 1.813 177.176 175.510 -0.245 0.000 1.018 293 N CA 1.557 54.571 53.050 -0.061 0.000 0.858 293 N CB -0.209 38.308 38.487 0.050 0.000 0.989 293 N HN 0.466 nan 8.380 nan 0.000 0.426 294 I N -0.166 120.125 120.570 -0.464 0.000 2.163 294 I HA -0.301 2.213 4.170 -2.761 0.000 0.243 294 I C 2.207 177.926 176.117 -0.663 0.000 1.085 294 I CA 1.701 62.385 61.300 -1.027 0.000 1.347 294 I CB -0.661 36.848 38.000 -0.817 0.000 1.044 294 I HN 0.381 nan 8.210 nan 0.000 0.408 295 T N -1.990 112.363 114.554 -0.335 0.000 2.896 295 T HA -0.130 2.563 4.350 -2.761 0.000 0.263 295 T C 1.795 176.416 174.700 -0.131 0.000 1.050 295 T CA 0.764 62.740 62.100 -0.207 0.000 1.140 295 T CB -0.352 68.465 68.868 -0.086 0.000 0.877 295 T HN 0.362 nan 8.240 nan 0.000 0.457 296 Q N 0.503 120.238 119.800 -0.109 0.000 2.050 296 Q HA -0.104 2.580 4.340 -2.761 0.000 0.202 296 Q C 2.630 178.615 176.000 -0.026 0.000 0.980 296 Q CA 1.398 57.181 55.803 -0.035 0.000 0.840 296 Q CB -0.095 28.624 28.738 -0.033 0.000 0.898 296 Q HN 0.487 nan 8.270 nan 0.000 0.424 297 E N 0.203 120.362 120.200 -0.068 0.000 2.051 297 E HA -0.178 2.515 4.350 -2.761 0.000 0.192 297 E C 2.144 178.704 176.600 -0.067 0.000 0.991 297 E CA 0.894 57.281 56.400 -0.022 0.000 0.799 297 E CB -0.481 29.293 29.700 0.124 0.000 0.748 297 E HN 0.377 nan 8.360 nan 0.000 0.449 298 C N 0.438 119.645 119.300 -0.156 0.000 2.413 298 C HA -0.143 2.660 4.460 -2.761 0.000 0.276 298 C C 2.520 177.388 174.990 -0.202 0.000 1.236 298 C CA 0.483 59.395 59.018 -0.177 0.000 1.735 298 C CB -1.233 26.368 27.740 -0.232 0.000 2.031 298 C HN 0.336 nan 8.230 nan 0.000 0.474 299 F N 1.731 121.531 119.950 -0.250 0.000 2.186 299 F HA -0.071 2.799 4.527 -2.762 0.000 0.299 299 F C 2.242 177.919 175.800 -0.206 0.000 1.090 299 F CA 1.525 59.389 58.000 -0.227 0.000 1.307 299 F CB -0.421 38.480 39.000 -0.165 0.000 1.019 299 F HN 0.156 nan 8.300 nan 0.000 0.489 300 K N -0.338 119.962 120.400 -0.167 0.000 2.057 300 K HA -0.115 2.548 4.320 -2.761 0.000 0.207 300 K C 2.395 178.845 176.600 -0.250 0.000 1.049 300 K CA 1.282 57.448 56.287 -0.202 0.000 0.931 300 K CB -0.932 31.517 32.500 -0.085 0.000 0.714 300 K HN 0.401 nan 8.250 nan 0.000 0.440 301 G N 1.237 109.890 108.800 -0.245 0.000 2.418 301 G HA2 -0.235 2.068 3.960 -2.761 0.000 0.217 301 G HA3 -0.235 2.068 3.960 -2.761 0.000 0.217 301 G C 1.499 176.174 174.900 -0.376 0.000 1.158 301 G CA 0.775 45.749 45.100 -0.210 0.000 0.771 301 G HN 0.145 nan 8.290 nan 0.000 0.545 302 I N 0.385 120.518 120.570 -0.729 0.000 2.163 302 I HA -0.161 2.352 4.170 -2.761 0.000 0.243 302 I C 2.713 178.574 176.117 -0.427 0.000 1.085 302 I CA 0.837 61.783 61.300 -0.590 0.000 1.347 302 I CB -0.189 37.474 38.000 -0.562 0.000 1.044 302 I HN 0.126 nan 8.210 nan 0.000 0.408 303 L N 0.413 121.296 121.223 -0.567 0.000 2.093 303 L HA -0.209 2.474 4.340 -2.761 0.000 0.208 303 L C 2.607 179.330 176.870 -0.245 0.000 1.085 303 L CA 1.285 55.863 54.840 -0.438 0.000 0.755 303 L CB -0.575 41.176 42.059 -0.512 0.000 0.904 303 L HN 0.247 nan 8.230 nan 0.000 0.435 304 K N 0.390 120.668 120.400 -0.204 0.000 2.026 304 K HA -0.217 2.446 4.320 -2.761 0.000 0.208 304 K C 1.652 178.199 176.600 -0.089 0.000 1.048 304 K CA 1.864 58.080 56.287 -0.120 0.000 0.929 304 K CB 0.007 32.455 32.500 -0.088 0.000 0.713 304 K HN 0.136 nan 8.250 nan 0.000 0.439 305 D N 0.710 121.066 120.400 -0.074 0.000 2.123 305 D HA -0.140 2.843 4.640 -2.761 0.000 0.196 305 D C 1.694 177.955 176.300 -0.065 0.000 0.992 305 D CA 1.287 55.263 54.000 -0.040 0.000 0.833 305 D CB 0.025 40.838 40.800 0.021 0.000 0.954 305 D HN 0.262 nan 8.370 nan 0.000 0.455 306 K N 0.243 120.584 120.400 -0.097 0.000 2.103 306 K HA -0.099 2.564 4.320 -2.761 0.000 0.207 306 K C 1.871 178.423 176.600 -0.080 0.000 1.048 306 K CA 0.815 57.046 56.287 -0.095 0.000 0.930 306 K CB 0.125 32.551 32.500 -0.123 0.000 0.716 306 K HN -0.011 nan 8.250 nan 0.000 0.444 307 K N 0.638 120.988 120.400 -0.084 0.000 2.283 307 K HA -0.028 2.635 4.320 -2.761 0.000 0.202 307 K C 1.031 177.597 176.600 -0.056 0.000 1.048 307 K CA 0.835 57.081 56.287 -0.068 0.000 0.948 307 K CB -0.063 32.396 32.500 -0.069 0.000 0.742 307 K HN 0.163 nan 8.250 nan 0.000 0.458 308 N N 1.398 120.065 118.700 -0.056 0.000 2.235 308 N HA -0.059 3.024 4.740 -2.761 0.000 0.209 308 N C -0.558 174.923 175.510 -0.048 0.000 1.122 308 N CA 0.112 53.132 53.050 -0.050 0.000 0.845 308 N CB 0.322 38.779 38.487 -0.048 0.000 1.004 308 N HN 0.081 nan 8.380 nan 0.000 0.499 309 D N 0.818 121.187 120.400 -0.050 0.000 2.723 309 D HA -0.204 2.779 4.640 -2.761 0.000 0.236 309 D C -0.690 175.580 176.300 -0.050 0.000 1.138 309 D CA 0.554 54.524 54.000 -0.049 0.000 0.676 309 D CB -1.250 39.524 40.800 -0.044 0.000 1.069 309 D HN 0.431 nan 8.370 nan 0.000 0.430 310 I N -0.044 120.496 120.570 -0.050 0.000 2.769 310 I HA 0.417 2.931 4.170 -2.761 0.000 0.298 310 I C -0.880 175.209 176.117 -0.046 0.000 1.128 310 I CA -0.853 60.417 61.300 -0.050 0.000 1.031 310 I CB 1.837 39.808 38.000 -0.049 0.000 1.235 310 I HN -0.015 nan 8.210 nan 0.000 0.423 311 E N 5.407 125.573 120.200 -0.058 0.000 2.199 311 E HA 0.636 3.329 4.350 -2.761 0.000 0.265 311 E C -0.810 175.724 176.600 -0.112 0.000 0.882 311 E CA -0.824 55.544 56.400 -0.053 0.000 0.759 311 E CB 1.844 31.511 29.700 -0.055 0.000 1.148 311 E HN 0.718 nan 8.360 nan 0.000 0.412 312 A N 3.703 126.465 122.820 -0.097 0.000 2.511 312 A HA -0.054 2.609 4.320 -2.761 0.000 0.242 312 A C 1.119 178.489 177.584 -0.357 0.000 1.069 312 A CA 0.291 52.209 52.037 -0.200 0.000 0.763 312 A CB 0.643 19.467 19.000 -0.293 0.000 1.001 312 A HN 0.971 nan 8.150 nan 0.000 0.498 313 Q N 1.362 120.982 119.800 -0.300 0.000 2.096 313 Q HA -0.200 2.483 4.340 -2.761 0.000 0.208 313 Q C 0.303 175.830 176.000 -0.789 0.000 0.993 313 Q CA 2.290 57.813 55.803 -0.466 0.000 0.862 313 Q CB -0.073 28.500 28.738 -0.275 0.000 0.915 313 Q HN 0.888 nan 8.270 nan 0.000 0.416 314 W N -0.542 120.632 121.300 -0.210 0.000 2.862 314 W HA 0.240 3.248 4.660 -2.753 0.000 0.426 314 W C -0.014 176.510 176.519 0.008 0.000 0.950 314 W CA -0.060 57.247 57.345 -0.064 0.000 2.150 314 W CB 0.232 29.769 29.460 0.128 0.000 1.161 314 W HN 0.409 nan 8.180 nan 0.000 0.696 315 H N -1.750 117.422 119.070 0.170 0.000 1.452 315 H HA -0.377 2.521 4.556 -2.763 0.000 0.090 315 H C 1.626 177.097 175.328 0.238 0.000 0.648 315 H CA 1.594 57.737 56.048 0.158 0.000 1.901 315 H CB -1.276 28.551 29.762 0.108 0.000 2.257 315 H HN -0.060 nan 8.280 nan 0.000 0.961 316 N N 0.910 119.815 118.700 0.340 0.000 2.094 316 N HA -0.163 2.920 4.740 -2.761 0.000 0.191 316 N C 1.820 177.421 175.510 0.152 0.000 1.023 316 N CA 1.745 54.913 53.050 0.197 0.000 0.857 316 N CB -0.376 38.175 38.487 0.105 0.000 1.013 316 N HN 0.548 nan 8.380 nan 0.000 0.426 317 E N -0.021 120.298 120.200 0.199 0.000 2.106 317 E HA -0.032 2.661 4.350 -2.761 0.000 0.192 317 E C 1.596 178.267 176.600 0.118 0.000 0.984 317 E CA 0.872 57.361 56.400 0.149 0.000 0.806 317 E CB 0.125 29.958 29.700 0.223 0.000 0.750 317 E HN 0.211 nan 8.360 nan 0.000 0.458 318 S N -0.095 115.690 115.700 0.142 0.000 2.355 318 S HA -0.146 2.667 4.470 -2.761 0.000 0.222 318 S C 1.717 176.262 174.600 -0.092 0.000 1.031 318 S CA 0.931 59.152 58.200 0.035 0.000 0.993 318 S CB -0.383 62.771 63.200 -0.077 0.000 0.859 318 S HN 0.440 nan 8.310 nan 0.000 0.453 319 H N 0.401 119.478 119.070 0.012 0.000 2.357 319 H HA 0.036 2.934 4.556 -2.763 0.000 0.301 319 H C 2.216 177.488 175.328 -0.092 0.000 1.082 319 H CA 1.136 57.158 56.048 -0.043 0.000 1.342 319 H CB -0.551 29.176 29.762 -0.059 0.000 1.389 319 H HN 0.213 nan 8.280 nan 0.000 0.511 320 L N 1.435 122.643 121.223 -0.024 0.000 2.083 320 L HA -0.122 2.561 4.340 -2.761 0.000 0.209 320 L C 1.924 178.760 176.870 -0.057 0.000 1.083 320 L CA 1.339 56.058 54.840 -0.201 0.000 0.752 320 L CB -0.586 41.325 42.059 -0.246 0.000 0.899 320 L HN 0.132 nan 8.230 nan 0.000 0.433 321 N N -0.249 118.493 118.700 0.070 0.000 2.120 321 N HA -0.223 2.860 4.740 -2.761 0.000 0.188 321 N C 1.843 177.383 175.510 0.050 0.000 1.024 321 N CA 1.225 54.385 53.050 0.183 0.000 0.852 321 N CB -0.048 38.542 38.487 0.172 0.000 1.003 321 N HN 0.236 nan 8.380 nan 0.000 0.424 322 K N 0.917 121.283 120.400 -0.056 0.000 2.057 322 K HA -0.163 2.500 4.320 -2.761 0.000 0.207 322 K C 2.026 178.588 176.600 -0.062 0.000 1.049 322 K CA 1.100 57.326 56.287 -0.102 0.000 0.931 322 K CB -0.804 31.645 32.500 -0.085 0.000 0.714 322 K HN 0.194 nan 8.250 nan 0.000 0.440 323 Y N -0.171 120.025 120.300 -0.174 0.000 2.097 323 Y HA -0.172 2.719 4.550 -2.765 0.000 0.282 323 Y C 1.701 177.486 175.900 -0.193 0.000 1.152 323 Y CA 2.152 60.101 58.100 -0.251 0.000 1.136 323 Y CB -0.394 37.800 38.460 -0.445 0.000 0.975 323 Y HN 0.110 nan 8.280 nan 0.000 0.498 324 F N -1.218 118.757 119.950 0.042 0.000 2.365 324 F HA -0.167 2.713 4.527 -2.745 0.000 0.300 324 F C 2.072 177.820 175.800 -0.087 0.000 1.090 324 F CA 0.204 58.161 58.000 -0.071 0.000 1.408 324 F CB -0.111 38.770 39.000 -0.199 0.000 1.060 324 F HN 0.199 nan 8.300 nan 0.000 0.534 325 L N 0.241 121.530 121.223 0.110 0.000 2.056 325 L HA -0.157 2.526 4.340 -2.761 0.000 0.207 325 L C 1.878 178.662 176.870 -0.143 0.000 1.078 325 L CA 1.815 56.648 54.840 -0.011 0.000 0.749 325 L CB -0.510 41.503 42.059 -0.077 0.000 0.901 325 L HN 0.076 nan 8.230 nan 0.000 0.433 326 L N -0.854 120.246 121.223 -0.205 0.000 2.127 326 L HA 0.012 2.695 4.340 -2.761 0.000 0.203 326 L C 0.290 176.971 176.870 -0.314 0.000 1.080 326 L CA 0.435 55.126 54.840 -0.249 0.000 0.768 326 L CB -0.361 41.542 42.059 -0.261 0.000 0.924 326 L HN 0.255 nan 8.230 nan 0.000 0.444 327 N N 1.537 119.976 118.700 -0.436 0.000 2.626 327 N HA 0.169 3.252 4.740 -2.761 0.000 0.242 327 N C -0.860 174.528 175.510 -0.203 0.000 1.005 327 N CA -0.290 52.520 53.050 -0.401 0.000 0.905 327 N CB 1.250 39.316 38.487 -0.702 0.000 1.128 327 N HN 0.047 nan 8.380 nan 0.000 0.512 328 K N 2.177 122.392 120.400 -0.308 0.000 2.412 328 K HA 0.207 2.870 4.320 -2.761 0.000 0.281 328 K C -2.093 174.404 176.600 -0.172 0.000 1.027 328 K CA -1.305 54.684 56.287 -0.496 0.000 0.989 328 K CB 0.465 32.146 32.500 -1.364 0.000 0.935 328 K HN 0.323 nan 8.250 nan 0.000 0.475 329 P HA -0.015 nan 4.420 nan 0.000 0.268 329 P C 0.609 178.037 177.300 0.213 0.000 1.205 329 P CA 0.049 63.102 63.100 -0.078 0.000 0.771 329 P CB 0.391 31.776 31.700 -0.526 0.000 0.858 330 T N -0.655 113.985 114.554 0.145 0.000 3.088 330 T HA 0.061 2.754 4.350 -2.761 0.000 0.259 330 T C 0.535 175.295 174.700 0.100 0.000 1.122 330 T CA 0.494 62.700 62.100 0.177 0.000 1.095 330 T CB 0.083 69.034 68.868 0.138 0.000 0.930 330 T HN 0.468 nan 8.240 nan 0.000 0.508 331 K N 0.301 120.719 120.400 0.031 0.000 2.543 331 K HA 0.605 3.268 4.320 -2.761 0.000 0.255 331 K C -1.929 174.614 176.600 -0.095 0.000 0.934 331 K CA -0.936 55.325 56.287 -0.043 0.000 0.810 331 K CB 1.841 34.309 32.500 -0.054 0.000 1.315 331 K HN 0.171 nan 8.250 nan 0.000 0.433 332 I N 4.786 125.280 120.570 -0.128 0.000 2.530 332 I HA 0.375 2.888 4.170 -2.761 0.000 0.297 332 I C -0.515 175.485 176.117 -0.194 0.000 1.011 332 I CA -1.170 60.041 61.300 -0.148 0.000 1.107 332 I CB 1.748 39.645 38.000 -0.172 0.000 1.285 332 I HN 0.412 nan 8.210 nan 0.000 0.436 333 L N 4.144 125.250 121.223 -0.195 0.000 2.309 333 L HA 0.402 3.085 4.340 -2.761 0.000 0.282 333 L C 0.630 177.339 176.870 -0.269 0.000 1.036 333 L CA -0.528 54.125 54.840 -0.311 0.000 0.806 333 L CB 1.689 43.516 42.059 -0.386 0.000 1.220 333 L HN 0.713 nan 8.230 nan 0.000 0.429 334 S N 2.366 117.808 115.700 -0.431 0.000 2.589 334 S HA 0.215 3.029 4.470 -2.761 0.000 0.265 334 S C -1.860 172.489 174.600 -0.419 0.000 1.342 334 S CA -0.922 56.778 58.200 -0.834 0.000 1.005 334 S CB 0.781 62.815 63.200 -1.944 0.000 0.909 334 S HN 0.456 nan 8.310 nan 0.000 0.555 335 P HA -0.025 nan 4.420 nan 0.000 0.226 335 P C 0.772 178.049 177.300 -0.039 0.000 1.146 335 P CA 0.983 64.020 63.100 -0.106 0.000 0.773 335 P CB -0.099 31.540 31.700 -0.103 0.000 0.772 336 E N -1.637 118.389 120.200 -0.289 0.000 2.204 336 E HA -0.190 2.504 4.350 -2.761 0.000 0.195 336 E C 1.051 177.494 176.600 -0.263 0.000 0.990 336 E CA 1.000 57.215 56.400 -0.307 0.000 0.821 336 E CB -0.519 28.954 29.700 -0.378 0.000 0.750 336 E HN 0.433 nan 8.360 nan 0.000 0.477 337 Y N -1.348 118.890 120.300 -0.102 0.000 2.546 337 Y HA 0.081 4.418 4.550 -0.354 0.000 0.287 337 Y C 0.611 176.611 175.900 0.168 0.000 1.158 337 Y CA -0.017 58.071 58.100 -0.020 0.000 1.307 337 Y CB 0.730 39.081 38.460 -0.181 0.000 1.036 337 Y HN -0.003 nan 8.280 nan 0.000 0.532 338 C N 1.241 120.726 119.300 0.307 0.000 3.280 338 C HA 0.151 2.954 4.460 -2.761 0.000 0.334 338 C C -0.973 174.305 174.990 0.481 0.000 0.977 338 C CA -1.149 58.117 59.018 0.414 0.000 1.264 338 C CB -1.116 26.913 27.740 0.483 0.000 1.688 338 C HN 0.520 nan 8.230 nan 0.000 0.592 339 W N 4.125 125.445 121.300 0.033 0.000 2.469 339 W HA 0.453 3.444 4.660 -2.781 0.000 0.320 339 W C -0.831 175.330 176.519 -0.596 0.000 1.086 339 W CA 0.060 57.220 57.345 -0.309 0.000 1.211 339 W CB 1.291 30.471 29.460 -0.466 0.000 1.298 339 W HN 0.591 nan 8.180 nan 0.000 0.525 340 D N 4.329 123.547 120.400 -1.970 0.000 2.359 340 D HA 0.087 3.070 4.640 -2.761 0.000 0.230 340 D C 0.460 175.897 176.300 -1.439 0.000 1.118 340 D CA -0.198 52.734 54.000 -1.780 0.000 0.844 340 D CB 0.404 39.944 40.800 -2.100 0.000 1.059 340 D HN 0.366 nan 8.370 nan 0.000 0.493 341 Y N 1.647 121.632 120.300 -0.526 0.000 2.574 341 Y HA -0.145 2.756 4.550 -2.748 0.000 0.294 341 Y C 1.719 177.475 175.900 -0.239 0.000 1.142 341 Y CA 0.564 58.543 58.100 -0.202 0.000 1.314 341 Y CB 0.092 38.538 38.460 -0.024 0.000 0.991 341 Y HN 0.617 nan 8.280 nan 0.000 0.555 342 H N -0.626 118.347 119.070 -0.161 0.000 2.456 342 H HA -0.129 2.769 4.556 -2.764 0.000 0.296 342 H C 1.952 177.165 175.328 -0.193 0.000 1.079 342 H CA 1.674 57.682 56.048 -0.067 0.000 1.322 342 H CB -0.169 29.647 29.762 0.091 0.000 1.388 342 H HN 0.356 nan 8.280 nan 0.000 0.538 343 I N -0.683 119.575 120.570 -0.520 0.000 2.546 343 I HA -0.032 2.481 4.170 -2.761 0.000 0.255 343 I C 1.538 177.559 176.117 -0.159 0.000 1.163 343 I CA 0.688 61.591 61.300 -0.661 0.000 1.457 343 I CB -0.215 37.077 38.000 -1.181 0.000 1.092 343 I HN 0.477 nan 8.210 nan 0.000 0.434 344 G N 1.030 109.840 108.800 0.016 0.000 2.472 344 G HA2 -0.153 2.150 3.960 -2.761 0.000 0.205 344 G HA3 -0.153 2.150 3.960 -2.761 0.000 0.205 344 G C -1.161 173.971 174.900 0.386 0.000 1.270 344 G CA -0.559 44.639 45.100 0.164 0.000 0.974 344 G HN 0.063 nan 8.290 nan 0.000 0.542 345 L N 2.433 123.793 121.223 0.228 0.000 2.485 345 L HA 0.625 3.308 4.340 -2.761 0.000 0.260 345 L C -1.633 175.241 176.870 0.007 0.000 0.998 345 L CA -1.123 53.787 54.840 0.117 0.000 0.883 345 L CB 1.245 43.367 42.059 0.105 0.000 1.196 345 L HN 0.751 nan 8.230 nan 0.000 0.443 346 P HA 0.388 nan 4.420 nan 0.000 0.279 346 P C 0.533 177.789 177.300 -0.073 0.000 1.276 346 P CA -0.400 62.689 63.100 -0.019 0.000 0.801 346 P CB 1.118 32.843 31.700 0.042 0.000 1.127 347 A N 0.453 123.249 122.820 -0.041 0.000 1.948 347 A HA -0.210 2.453 4.320 -2.761 0.000 0.220 347 A C 1.700 179.243 177.584 -0.068 0.000 1.177 347 A CA 2.024 54.030 52.037 -0.052 0.000 0.636 347 A CB -1.178 17.799 19.000 -0.038 0.000 0.815 347 A HN 0.555 nan 8.150 nan 0.000 0.449 348 D N -0.316 120.057 120.400 -0.046 0.000 2.263 348 D HA -0.044 2.940 4.640 -2.761 0.000 0.208 348 D C 0.381 176.673 176.300 -0.012 0.000 0.971 348 D CA 0.636 54.617 54.000 -0.031 0.000 0.867 348 D CB -0.099 40.760 40.800 0.097 0.000 0.929 348 D HN 0.292 nan 8.370 nan 0.000 0.492 349 I N 1.922 122.381 120.570 -0.185 0.000 2.276 349 I HA 0.062 2.575 4.170 -2.761 0.000 0.290 349 I C 1.264 177.241 176.117 -0.235 0.000 1.109 349 I CA -0.189 60.904 61.300 -0.346 0.000 1.229 349 I CB 0.978 38.420 38.000 -0.930 0.000 1.452 349 I HN -0.249 nan 8.210 nan 0.000 0.497 350 K N 3.778 124.108 120.400 -0.116 0.000 2.137 350 K HA 0.155 2.818 4.320 -2.761 0.000 0.202 350 K C 0.277 176.824 176.600 -0.088 0.000 1.052 350 K CA 0.654 56.893 56.287 -0.081 0.000 0.961 350 K CB 0.463 32.943 32.500 -0.032 0.000 0.741 350 K HN 0.343 nan 8.250 nan 0.000 0.452 351 L N 0.756 121.912 121.223 -0.111 0.000 2.596 351 L HA 0.237 2.920 4.340 -2.761 0.000 0.265 351 L C -1.362 175.407 176.870 -0.168 0.000 0.962 351 L CA -0.453 54.324 54.840 -0.105 0.000 0.891 351 L CB 1.974 43.995 42.059 -0.063 0.000 1.248 351 L HN -0.282 nan 8.230 nan 0.000 0.410 352 V N 5.920 125.753 119.914 -0.136 0.000 2.479 352 V HA 0.153 2.616 4.120 -2.761 0.000 0.281 352 V C 0.902 176.932 176.094 -0.105 0.000 1.031 352 V CA -0.038 62.182 62.300 -0.134 0.000 1.038 352 V CB 0.897 32.696 31.823 -0.042 0.000 0.981 352 V HN 0.761 nan 8.190 nan 0.000 0.478 353 K N 3.595 123.897 120.400 -0.162 0.000 2.284 353 K HA 0.331 2.994 4.320 -2.761 0.000 0.198 353 K C 0.201 176.862 176.600 0.101 0.000 1.048 353 K CA 0.482 56.729 56.287 -0.066 0.000 0.987 353 K CB 0.266 32.642 32.500 -0.207 0.000 0.800 353 K HN 0.653 nan 8.250 nan 0.000 0.486 354 M N -0.054 119.590 119.600 0.075 0.000 2.365 354 M HA 0.273 3.096 4.480 -2.761 0.000 0.287 354 M C -1.773 174.597 176.300 0.117 0.000 1.154 354 M CA -0.375 54.955 55.300 0.049 0.000 0.941 354 M CB 2.195 34.776 32.600 -0.032 0.000 1.704 354 M HN 0.017 nan 8.290 nan 0.000 0.479 355 S N 2.249 118.037 115.700 0.146 0.000 2.536 355 S HA 0.778 3.591 4.470 -2.761 0.000 0.298 355 S C -1.476 173.326 174.600 0.337 0.000 1.083 355 S CA -0.729 57.595 58.200 0.206 0.000 0.995 355 S CB 0.772 64.130 63.200 0.263 0.000 1.058 355 S HN 0.682 nan 8.310 nan 0.000 0.488 356 W N 2.164 123.485 121.300 0.036 0.000 2.210 356 W HA 0.287 3.276 4.660 -2.784 0.000 0.330 356 W C 0.879 177.457 176.519 0.099 0.000 1.334 356 W CA -0.805 56.579 57.345 0.065 0.000 1.227 356 W CB -0.133 29.367 29.460 0.067 0.000 1.178 356 W HN 0.571 nan 8.180 nan 0.000 0.560 357 Q N 1.789 121.746 119.800 0.262 0.000 2.364 357 Q HA 0.098 2.781 4.340 -2.761 0.000 0.267 357 Q C 0.349 176.492 176.000 0.239 0.000 0.999 357 Q CA 0.201 56.138 55.803 0.222 0.000 0.886 357 Q CB 0.496 29.303 28.738 0.116 0.000 1.243 357 Q HN 0.336 nan 8.270 nan 0.000 0.415 358 T N 3.457 118.168 114.554 0.263 0.000 2.940 358 T HA 0.035 2.728 4.350 -2.761 0.000 0.309 358 T C 0.317 175.063 174.700 0.077 0.000 1.056 358 T CA -0.308 61.924 62.100 0.220 0.000 1.137 358 T CB 0.364 69.401 68.868 0.282 0.000 0.976 358 T HN 0.110 nan 8.240 nan 0.000 0.547 359 K N 3.546 123.891 120.400 -0.091 0.000 2.379 359 K HA 0.136 2.799 4.320 -2.761 0.000 0.284 359 K C 0.433 176.870 176.600 -0.272 0.000 1.044 359 K CA 0.176 56.261 56.287 -0.337 0.000 0.974 359 K CB 0.468 32.539 32.500 -0.716 0.000 0.962 359 K HN 0.674 nan 8.250 nan 0.000 0.474 360 E N 2.499 122.579 120.200 -0.200 0.000 3.575 360 E HA 0.098 2.791 4.350 -2.761 0.000 0.201 360 E C 0.281 176.851 176.600 -0.051 0.000 0.999 360 E CA -0.103 56.244 56.400 -0.087 0.000 1.315 360 E CB 0.170 29.870 29.700 -0.001 0.000 1.146 360 E HN 0.528 nan 8.360 nan 0.000 0.453 361 Y N 0.306 120.543 120.300 -0.105 0.000 2.193 361 Y HA -0.311 2.581 4.550 -2.763 0.000 0.285 361 Y C 2.442 178.268 175.900 -0.123 0.000 1.166 361 Y CA 0.853 58.859 58.100 -0.156 0.000 1.181 361 Y CB -0.093 38.267 38.460 -0.167 0.000 0.976 361 Y HN 0.290 nan 8.280 nan 0.000 0.520 362 N N 0.267 119.015 118.700 0.080 0.000 2.137 362 N HA -0.168 2.915 4.740 -2.761 0.000 0.190 362 N C 1.359 176.876 175.510 0.012 0.000 1.017 362 N CA 1.596 54.671 53.050 0.042 0.000 0.859 362 N CB -0.222 38.285 38.487 0.034 0.000 1.002 362 N HN 0.088 nan 8.380 nan 0.000 0.428 363 V N -0.614 119.284 119.914 -0.027 0.000 2.672 363 V HA -0.015 2.448 4.120 -2.761 0.000 0.242 363 V C 2.080 178.094 176.094 -0.134 0.000 1.059 363 V CA 1.121 63.383 62.300 -0.062 0.000 1.081 363 V CB 0.086 31.877 31.823 -0.053 0.000 0.752 363 V HN 0.380 nan 8.190 nan 0.000 0.472 364 V N -1.484 118.296 119.914 -0.223 0.000 3.129 364 V HA 0.207 2.670 4.120 -2.761 0.000 0.259 364 V C 1.035 177.136 176.094 0.011 0.000 1.116 364 V CA 0.511 62.651 62.300 -0.266 0.000 1.127 364 V CB -0.540 30.898 31.823 -0.642 0.000 0.742 364 V HN 0.390 nan 8.190 nan 0.000 0.474 365 R N 0.729 121.230 120.500 0.002 0.000 2.589 365 R HA 0.487 3.170 4.340 -2.761 0.000 0.293 365 R C -0.339 175.996 176.300 0.058 0.000 0.963 365 R CA -0.316 55.794 56.100 0.017 0.000 0.905 365 R CB 1.148 31.278 30.300 -0.283 0.000 1.144 365 R HN 0.134 nan 8.270 nan 0.000 0.459 366 N N 0.948 119.725 118.700 0.128 0.000 2.203 366 N HA 0.040 3.124 4.740 -2.761 0.000 0.207 366 N C -1.121 174.472 175.510 0.138 0.000 1.130 366 N CA -0.096 53.023 53.050 0.115 0.000 0.861 366 N CB 0.343 38.891 38.487 0.101 0.000 1.005 366 N HN 0.595 nan 8.380 nan 0.000 0.507 367 N N -1.808 117.023 118.700 0.219 0.000 2.825 367 N HA 0.255 3.338 4.740 -2.761 0.000 0.253 367 N C -0.368 175.333 175.510 0.319 0.000 1.426 367 N CA -0.521 52.656 53.050 0.213 0.000 0.851 367 N CB 1.558 40.136 38.487 0.151 0.000 1.470 367 N HN -0.247 nan 8.380 nan 0.000 0.517 368 V N 0.000 120.046 119.914 0.220 0.000 2.409 368 V HA 0.000 2.463 4.120 -2.761 0.000 0.244 368 V CA 0.000 62.448 62.300 0.246 0.000 1.235 368 V CB 0.000 31.906 31.823 0.139 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556