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 1vzu_1_A 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 AQYHDESHLN 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 0.000 176.631 176.600 0.051 0.000 0.988 82 K CA 0.000 56.362 56.287 0.125 0.000 0.838 82 K CB 0.000 32.570 32.500 0.117 0.000 1.064 83 L N 2.406 123.588 121.223 -0.067 0.000 2.540 83 L HA 0.232 4.570 4.340 -0.003 0.000 0.276 83 L C -0.321 176.524 176.870 -0.042 0.000 1.212 83 L CA 0.933 55.592 54.840 -0.302 0.000 0.893 83 L CB 0.587 42.231 42.059 -0.692 0.000 1.138 83 L HN 0.236 nan 8.230 nan 0.000 0.491 84 K N 4.327 124.736 120.400 0.014 0.000 2.206 84 K HA 0.131 4.449 4.320 -0.003 0.000 0.264 84 K C 0.706 177.376 176.600 0.116 0.000 0.967 84 K CA -0.641 55.686 56.287 0.067 0.000 0.844 84 K CB 1.647 34.171 32.500 0.041 0.000 1.099 84 K HN 0.686 nan 8.250 nan 0.000 0.441 85 L N 4.229 125.501 121.223 0.082 0.000 1.997 85 L HA -0.260 4.078 4.340 -0.003 0.000 0.216 85 L C 1.914 178.603 176.870 -0.303 0.000 1.074 85 L CA 2.737 57.523 54.840 -0.090 0.000 0.763 85 L CB -0.812 41.200 42.059 -0.077 0.000 0.890 85 L HN 0.821 nan 8.230 nan 0.000 0.434 86 S N -1.951 113.681 115.700 -0.114 0.000 2.547 86 S HA -0.127 4.341 4.470 -0.003 0.000 0.235 86 S C 1.518 176.077 174.600 -0.068 0.000 0.980 86 S CA 0.793 58.931 58.200 -0.103 0.000 0.941 86 S CB -0.828 62.355 63.200 -0.028 0.000 0.763 86 S HN 0.546 nan 8.310 nan 0.000 0.532 87 D N 1.430 121.828 120.400 -0.005 0.000 2.218 87 D HA -0.064 4.574 4.640 -0.003 0.000 0.204 87 D C 1.576 177.971 176.300 0.159 0.000 0.976 87 D CA 1.261 55.308 54.000 0.078 0.000 0.853 87 D CB -0.188 40.677 40.800 0.107 0.000 0.939 87 D HN 0.904 nan 8.370 nan 0.000 0.481 88 W N -1.287 120.049 121.300 0.060 0.000 2.592 88 W HA 0.300 4.959 4.660 -0.002 0.000 0.306 88 W C -0.484 176.158 176.519 0.205 0.000 0.991 88 W CA -0.534 56.873 57.345 0.105 0.000 1.430 88 W CB -0.072 29.433 29.460 0.076 0.000 1.017 88 W HN -0.257 nan 8.180 nan 0.000 0.557 89 F N 4.260 123.713 119.950 -0.828 0.000 2.477 89 F HA 0.499 5.024 4.527 -0.003 0.000 0.335 89 F C -0.916 174.638 175.800 -0.411 0.000 1.130 89 F CA -1.321 56.162 58.000 -0.862 0.000 0.948 89 F CB 1.103 39.134 39.000 -1.614 0.000 1.154 89 F HN -0.241 nan 8.300 nan 0.000 0.439 90 N N 8.378 126.629 118.700 -0.749 0.000 2.569 90 N HA 0.387 5.125 4.740 -0.003 0.000 0.254 90 N C -2.240 172.785 175.510 -0.807 0.000 1.004 90 N CA -2.597 50.110 53.050 -0.570 0.000 0.904 90 N CB 1.846 40.193 38.487 -0.234 0.000 1.165 90 N HN 0.266 nan 8.380 nan 0.000 0.513 91 P HA -0.033 nan 4.420 nan 0.000 0.223 91 P C 1.037 178.001 177.300 -0.561 0.000 1.151 91 P CA 0.837 63.433 63.100 -0.841 0.000 0.787 91 P CB 0.006 31.291 31.700 -0.692 0.000 0.788 92 F N 0.678 120.479 119.950 -0.249 0.000 2.451 92 F HA -0.048 4.477 4.527 -0.003 0.000 0.299 92 F C 2.136 177.838 175.800 -0.164 0.000 1.101 92 F CA 0.681 58.580 58.000 -0.168 0.000 1.436 92 F CB -0.575 38.343 39.000 -0.135 0.000 1.074 92 F HN -0.177 nan 8.300 nan 0.000 0.553 93 K N 0.228 120.585 120.400 -0.073 0.000 2.365 93 K HA 0.017 4.335 4.320 -0.003 0.000 0.199 93 K C 0.386 176.922 176.600 -0.107 0.000 1.045 93 K CA 0.714 56.950 56.287 -0.084 0.000 0.962 93 K CB -0.005 32.424 32.500 -0.118 0.000 0.759 93 K HN 0.124 nan 8.250 nan 0.000 0.469 94 R N 0.594 121.002 120.500 -0.154 0.000 2.644 94 R HA 0.160 4.498 4.340 -0.003 0.000 0.271 94 R C -2.201 173.968 176.300 -0.219 0.000 1.687 94 R CA -1.404 54.576 56.100 -0.199 0.000 1.655 94 R CB 0.915 31.069 30.300 -0.243 0.000 1.285 94 R HN -0.063 nan 8.270 nan 0.000 0.643 95 P HA -0.107 nan 4.420 nan 0.000 0.229 95 P C 0.789 178.018 177.300 -0.118 0.000 1.160 95 P CA 0.959 64.002 63.100 -0.096 0.000 0.777 95 P CB 0.493 32.177 31.700 -0.027 0.000 0.814 96 E N 0.598 120.699 120.200 -0.164 0.000 2.474 96 E HA 0.069 4.417 4.350 -0.003 0.000 0.195 96 E C 0.526 177.006 176.600 -0.200 0.000 1.039 96 E CA -0.008 56.305 56.400 -0.146 0.000 0.881 96 E CB -0.430 29.193 29.700 -0.129 0.000 0.970 96 E HN 0.138 nan 8.360 nan 0.000 0.486 97 V N -2.450 117.270 119.914 -0.324 0.000 3.155 97 V HA 0.564 4.682 4.120 -0.003 0.000 0.313 97 V C 0.154 176.146 176.094 -0.170 0.000 1.162 97 V CA -1.299 60.775 62.300 -0.376 0.000 1.048 97 V CB 1.658 32.777 31.823 -1.174 0.000 1.092 97 V HN -0.159 nan 8.190 nan 0.000 0.447 98 V N 2.081 122.054 119.914 0.099 0.000 2.470 98 V HA 0.307 4.425 4.120 -0.003 0.000 0.276 98 V C 1.439 177.723 176.094 0.316 0.000 1.040 98 V CA 0.940 63.377 62.300 0.229 0.000 1.008 98 V CB 0.449 32.506 31.823 0.390 0.000 0.990 98 V HN 1.210 nan 8.190 nan 0.000 0.477 99 T N 1.188 115.860 114.554 0.196 0.000 2.975 99 T HA 0.405 4.753 4.350 -0.003 0.000 0.257 99 T C 0.284 175.137 174.700 0.255 0.000 1.003 99 T CA -0.149 62.138 62.100 0.312 0.000 0.932 99 T CB 0.435 69.398 68.868 0.157 0.000 1.087 99 T HN 0.324 nan 8.240 nan 0.000 0.512 100 M N 2.871 122.533 119.600 0.104 0.000 2.378 100 M HA 0.403 4.881 4.480 -0.003 0.000 0.289 100 M C -0.504 175.746 176.300 -0.083 0.000 1.136 100 M CA -0.443 54.850 55.300 -0.012 0.000 0.917 100 M CB 2.259 34.851 32.600 -0.013 0.000 1.669 100 M HN 0.303 nan 8.290 nan 0.000 0.461 101 T N -1.253 113.127 114.554 -0.290 0.000 2.847 101 T HA 0.371 4.719 4.350 -0.003 0.000 0.279 101 T C 1.134 175.607 174.700 -0.379 0.000 0.984 101 T CA -0.704 61.098 62.100 -0.496 0.000 0.988 101 T CB 1.208 69.177 68.868 -1.498 0.000 1.040 101 T HN 0.824 nan 8.240 nan 0.000 0.528 102 K N -0.164 120.112 120.400 -0.207 0.000 2.360 102 K HA -0.094 4.225 4.320 -0.003 0.000 0.201 102 K C 0.989 177.668 176.600 0.133 0.000 1.046 102 K CA 0.954 57.264 56.287 0.038 0.000 0.945 102 K CB -0.352 32.255 32.500 0.178 0.000 0.750 102 K HN 0.923 nan 8.250 nan 0.000 0.464 103 W N 0.882 122.243 121.300 0.100 0.000 3.223 103 W HA 0.446 5.104 4.660 -0.003 0.000 0.389 103 W C -0.417 176.141 176.519 0.066 0.000 1.118 103 W CA -0.871 56.521 57.345 0.078 0.000 1.902 103 W CB 0.646 30.155 29.460 0.081 0.000 1.094 103 W HN -0.142 nan 8.180 nan 0.000 0.666 104 K N -0.604 119.713 120.400 -0.137 0.000 3.399 104 K HA -0.184 4.135 4.320 -0.003 0.000 0.298 104 K C 0.073 176.585 176.600 -0.147 0.000 1.326 104 K CA 1.164 57.397 56.287 -0.090 0.000 0.874 104 K CB -2.200 30.317 32.500 0.029 0.000 1.403 104 K HN 0.474 nan 8.250 nan 0.000 0.492 105 A N 1.634 124.244 122.820 -0.350 0.000 2.310 105 A HA 0.609 4.927 4.320 -0.003 0.000 0.299 105 A C -2.093 175.314 177.584 -0.295 0.000 1.147 105 A CA -1.203 50.696 52.037 -0.231 0.000 0.818 105 A CB 0.496 19.427 19.000 -0.116 0.000 1.096 105 A HN -0.051 nan 8.150 nan 0.000 0.495 106 P HA 0.259 nan 4.420 nan 0.000 0.275 106 P C -0.726 176.382 177.300 -0.319 0.000 1.228 106 P CA -0.074 62.670 63.100 -0.593 0.000 0.786 106 P CB 1.036 31.990 31.700 -1.244 0.000 0.927 107 V N 3.907 123.751 119.914 -0.116 0.000 2.328 107 V HA 0.129 4.247 4.120 -0.003 0.000 0.278 107 V C 0.458 176.665 176.094 0.189 0.000 1.021 107 V CA -0.720 61.579 62.300 -0.001 0.000 0.838 107 V CB 1.515 33.407 31.823 0.115 0.000 0.999 107 V HN 0.251 nan 8.190 nan 0.000 0.447 108 V N 5.224 125.148 119.914 0.016 0.000 2.389 108 V HA 0.319 4.437 4.120 -0.003 0.000 0.264 108 V C -0.461 175.742 176.094 0.182 0.000 1.049 108 V CA -0.312 62.133 62.300 0.241 0.000 0.932 108 V CB 0.358 32.222 31.823 0.068 0.000 1.011 108 V HN 0.848 nan 8.190 nan 0.000 0.475 109 W N 2.089 123.617 121.300 0.380 0.000 2.706 109 W HA 0.559 5.218 4.660 -0.003 0.000 0.346 109 W C 0.268 176.978 176.519 0.318 0.000 1.071 109 W CA -0.930 56.577 57.345 0.271 0.000 1.206 109 W CB 1.069 30.606 29.460 0.129 0.000 1.413 109 W HN 0.467 nan 8.180 nan 0.000 0.542 110 E N 0.855 121.336 120.200 0.468 0.000 2.529 110 E HA 0.314 4.662 4.350 -0.003 0.000 0.259 110 E C 1.075 177.745 176.600 0.116 0.000 0.966 110 E CA 2.131 58.708 56.400 0.295 0.000 0.937 110 E CB 0.275 30.059 29.700 0.140 0.000 0.923 110 E HN 0.659 nan 8.360 nan 0.000 0.468 111 G N 2.900 111.629 108.800 -0.119 0.000 2.279 111 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.223 111 G HA3 -0.342 3.616 3.960 -0.003 0.000 0.223 111 G C 1.053 175.852 174.900 -0.168 0.000 1.015 111 G CA 0.750 45.758 45.100 -0.153 0.000 0.621 111 G HN 0.863 nan 8.290 nan 0.000 0.506 112 T N -1.154 113.373 114.554 -0.045 0.000 3.081 112 T HA 0.442 4.791 4.350 -0.003 0.000 0.255 112 T C 0.912 175.629 174.700 0.028 0.000 1.113 112 T CA 1.106 63.138 62.100 -0.113 0.000 1.082 112 T CB -0.184 68.612 68.868 -0.119 0.000 0.939 112 T HN 1.294 nan 8.240 nan 0.000 0.506 113 Y N 0.063 120.492 120.300 0.216 0.000 2.420 113 Y HA 0.733 5.282 4.550 -0.003 0.000 0.334 113 Y C -0.298 175.765 175.900 0.271 0.000 1.094 113 Y CA -2.297 56.037 58.100 0.390 0.000 1.126 113 Y CB 0.779 39.551 38.460 0.519 0.000 1.217 113 Y HN -0.168 nan 8.280 nan 0.000 0.462 114 N N 3.340 122.311 118.700 0.452 0.000 2.678 114 N HA 0.159 4.897 4.740 -0.003 0.000 0.231 114 N C 0.635 176.366 175.510 0.368 0.000 1.038 114 N CA -0.234 52.993 53.050 0.296 0.000 0.932 114 N CB 0.468 39.098 38.487 0.238 0.000 1.176 114 N HN 0.967 nan 8.380 nan 0.000 0.511 115 R N 2.427 123.167 120.500 0.399 0.000 2.115 115 R HA -0.038 4.300 4.340 -0.003 0.000 0.230 115 R C 1.600 178.037 176.300 0.228 0.000 1.111 115 R CA 1.454 57.760 56.100 0.343 0.000 0.976 115 R CB 0.093 30.616 30.300 0.372 0.000 0.870 115 R HN 0.548 nan 8.270 nan 0.000 0.445 116 A N 0.241 123.174 122.820 0.189 0.000 1.877 116 A HA -0.125 4.193 4.320 -0.003 0.000 0.216 116 A C 2.222 179.895 177.584 0.149 0.000 1.186 116 A CA 1.561 53.686 52.037 0.147 0.000 0.620 116 A CB -0.664 18.403 19.000 0.111 0.000 0.822 116 A HN 0.208 nan 8.150 nan 0.000 0.443 117 V N 0.043 120.050 119.914 0.156 0.000 2.287 117 V HA -0.282 3.837 4.120 -0.003 0.000 0.248 117 V C 2.584 178.763 176.094 0.141 0.000 1.053 117 V CA 2.180 64.567 62.300 0.145 0.000 1.027 117 V CB -0.657 31.262 31.823 0.162 0.000 0.646 117 V HN 0.580 nan 8.190 nan 0.000 0.447 118 L N -0.716 120.594 121.223 0.146 0.000 2.109 118 L HA -0.118 4.221 4.340 -0.003 0.000 0.207 118 L C 2.353 179.366 176.870 0.238 0.000 1.086 118 L CA 1.241 56.140 54.840 0.098 0.000 0.760 118 L CB -0.686 41.407 42.059 0.056 0.000 0.910 118 L HN 0.320 nan 8.230 nan 0.000 0.437 119 D N 0.120 120.676 120.400 0.260 0.000 2.123 119 D HA -0.216 4.422 4.640 -0.003 0.000 0.196 119 D C 1.866 178.347 176.300 0.300 0.000 0.992 119 D CA 1.478 55.694 54.000 0.362 0.000 0.833 119 D CB -0.185 40.785 40.800 0.282 0.000 0.954 119 D HN 0.287 nan 8.370 nan 0.000 0.455 120 N N -0.473 118.344 118.700 0.195 0.000 2.084 120 N HA -0.234 4.505 4.740 -0.003 0.000 0.190 120 N C 1.902 177.495 175.510 0.139 0.000 1.030 120 N CA 1.035 54.171 53.050 0.144 0.000 0.849 120 N CB -0.364 38.192 38.487 0.115 0.000 1.012 120 N HN 0.145 nan 8.380 nan 0.000 0.423 121 Y N -0.134 120.155 120.300 -0.020 0.000 2.128 121 Y HA -0.234 4.314 4.550 -0.002 0.000 0.284 121 Y C 1.637 177.459 175.900 -0.131 0.000 1.154 121 Y CA 1.866 59.883 58.100 -0.137 0.000 1.149 121 Y CB -0.645 37.614 38.460 -0.335 0.000 0.976 121 Y HN 0.235 nan 8.280 nan 0.000 0.505 122 Y N -0.836 119.509 120.300 0.075 0.000 2.314 122 Y HA -0.077 4.471 4.550 -0.003 0.000 0.293 122 Y C 2.570 178.486 175.900 0.027 0.000 1.129 122 Y CA 0.536 58.608 58.100 -0.047 0.000 1.201 122 Y CB -0.391 38.002 38.460 -0.112 0.000 0.999 122 Y HN 0.234 nan 8.280 nan 0.000 0.541 123 A N 0.346 123.347 122.820 0.301 0.000 1.969 123 A HA -0.174 4.144 4.320 -0.003 0.000 0.218 123 A C 1.999 179.629 177.584 0.076 0.000 1.169 123 A CA 1.426 53.594 52.037 0.217 0.000 0.635 123 A CB -0.366 18.722 19.000 0.147 0.000 0.810 123 A HN 0.377 nan 8.150 nan 0.000 0.445 124 K N -0.209 120.195 120.400 0.006 0.000 2.217 124 K HA -0.081 4.237 4.320 -0.003 0.000 0.202 124 K C 1.809 178.372 176.600 -0.061 0.000 1.051 124 K CA 1.211 57.475 56.287 -0.038 0.000 0.952 124 K CB -0.063 32.395 32.500 -0.070 0.000 0.736 124 K HN 0.602 nan 8.250 nan 0.000 0.453 125 Q N 0.700 120.444 119.800 -0.092 0.000 2.451 125 Q HA 0.030 4.368 4.340 -0.003 0.000 0.206 125 Q C -0.307 175.704 176.000 0.018 0.000 0.947 125 Q CA 0.208 55.972 55.803 -0.065 0.000 0.937 125 Q CB 0.161 28.838 28.738 -0.103 0.000 1.025 125 Q HN 0.118 nan 8.270 nan 0.000 0.511 126 K N 1.510 121.941 120.400 0.052 0.000 3.419 126 K HA -0.167 4.151 4.320 -0.003 0.000 0.272 126 K C -0.109 176.542 176.600 0.085 0.000 0.973 126 K CA 0.051 56.380 56.287 0.070 0.000 0.749 126 K CB -1.731 30.791 32.500 0.036 0.000 1.403 126 K HN 0.450 nan 8.250 nan 0.000 0.456 127 I N -2.655 117.992 120.570 0.129 0.000 2.886 127 I HA 0.356 4.524 4.170 -0.003 0.000 0.299 127 I C 0.325 176.497 176.117 0.092 0.000 1.044 127 I CA -0.336 61.030 61.300 0.109 0.000 1.310 127 I CB 1.444 39.525 38.000 0.134 0.000 1.441 127 I HN -0.055 nan 8.210 nan 0.000 0.578 128 T N 3.437 118.036 114.554 0.075 0.000 2.876 128 T HA 0.589 4.937 4.350 -0.003 0.000 0.289 128 T C -0.536 174.222 174.700 0.097 0.000 1.014 128 T CA -0.483 61.658 62.100 0.069 0.000 0.986 128 T CB 2.018 70.921 68.868 0.058 0.000 1.021 128 T HN 0.455 nan 8.240 nan 0.000 0.458 129 V N 1.881 121.853 119.914 0.097 0.000 2.495 129 V HA 0.796 4.915 4.120 -0.003 0.000 0.298 129 V C 0.623 176.872 176.094 0.258 0.000 1.031 129 V CA -0.724 61.689 62.300 0.187 0.000 0.871 129 V CB 1.824 33.707 31.823 0.101 0.000 0.988 129 V HN 1.055 nan 8.190 nan 0.000 0.432 130 G N 2.892 111.893 108.800 0.335 0.000 2.434 130 G HA2 0.696 4.654 3.960 -0.003 0.000 0.330 130 G HA3 0.696 4.654 3.960 -0.003 0.000 0.330 130 G C -1.587 173.577 174.900 0.439 0.000 1.155 130 G CA -0.540 44.780 45.100 0.367 0.000 0.917 130 G HN 0.591 nan 8.290 nan 0.000 0.493 131 L N 1.166 122.604 121.223 0.358 0.000 2.482 131 L HA 0.565 4.904 4.340 -0.003 0.000 0.269 131 L C 0.323 177.392 176.870 0.333 0.000 0.967 131 L CA -0.516 54.488 54.840 0.273 0.000 0.851 131 L CB 1.736 43.823 42.059 0.046 0.000 1.242 131 L HN 0.726 nan 8.230 nan 0.000 0.404 132 T N 1.793 116.494 114.554 0.244 0.000 2.875 132 T HA 0.762 5.110 4.350 -0.003 0.000 0.284 132 T C -0.499 174.229 174.700 0.047 0.000 0.995 132 T CA -0.721 61.475 62.100 0.161 0.000 1.060 132 T CB 1.743 70.656 68.868 0.076 0.000 0.967 132 T HN 0.635 nan 8.240 nan 0.000 0.476 133 V N 3.112 122.992 119.914 -0.056 0.000 2.851 133 V HA 0.662 4.780 4.120 -0.003 0.000 0.307 133 V C -1.952 174.029 176.094 -0.189 0.000 1.129 133 V CA -1.102 61.101 62.300 -0.162 0.000 0.932 133 V CB 1.716 33.276 31.823 -0.438 0.000 1.024 133 V HN 0.903 nan 8.190 nan 0.000 0.426 134 F N 4.525 124.351 119.950 -0.206 0.000 2.443 134 F HA 0.877 5.402 4.527 -0.002 0.000 0.335 134 F C 0.499 176.215 175.800 -0.140 0.000 1.104 134 F CA -0.283 57.628 58.000 -0.148 0.000 1.013 134 F CB 2.225 41.134 39.000 -0.151 0.000 1.136 134 F HN 0.676 nan 8.300 nan 0.000 0.470 135 A N 3.053 125.910 122.820 0.062 0.000 2.499 135 A HA 0.725 5.043 4.320 -0.003 0.000 0.280 135 A C -1.718 175.914 177.584 0.081 0.000 1.135 135 A CA -0.559 51.531 52.037 0.087 0.000 0.744 135 A CB 0.722 19.784 19.000 0.103 0.000 1.213 135 A HN 0.500 nan 8.150 nan 0.000 0.434 136 V N 2.528 122.472 119.914 0.049 0.000 2.495 136 V HA 0.814 4.932 4.120 -0.003 0.000 0.298 136 V C 1.011 177.171 176.094 0.109 0.000 1.031 136 V CA 0.781 63.112 62.300 0.051 0.000 0.871 136 V CB 0.854 32.684 31.823 0.011 0.000 0.988 136 V HN 2.223 nan 8.190 nan 0.000 0.432 137 G N 5.399 114.270 108.800 0.118 0.000 2.539 137 G HA2 -0.210 3.749 3.960 -0.003 0.000 0.256 137 G HA3 -0.210 3.749 3.960 -0.003 0.000 0.256 137 G C 0.447 175.456 174.900 0.182 0.000 1.233 137 G CA 0.155 45.345 45.100 0.150 0.000 0.936 137 G HN 0.602 nan 8.290 nan 0.000 0.571 138 R N -0.115 120.491 120.500 0.177 0.000 2.323 138 R HA 0.118 4.457 4.340 -0.003 0.000 0.198 138 R C 2.102 178.448 176.300 0.076 0.000 0.988 138 R CA 1.203 57.366 56.100 0.104 0.000 1.041 138 R CB -0.797 29.517 30.300 0.022 0.000 0.926 138 R HN 0.679 nan 8.270 nan 0.000 0.476 139 Y N 0.738 121.063 120.300 0.041 0.000 2.315 139 Y HA -0.186 4.362 4.550 -0.003 0.000 0.288 139 Y C 2.217 178.182 175.900 0.108 0.000 1.154 139 Y CA 0.924 59.104 58.100 0.133 0.000 1.229 139 Y CB -0.365 38.218 38.460 0.205 0.000 0.980 139 Y HN -0.044 nan 8.280 nan 0.000 0.540 140 I N -0.051 120.653 120.570 0.223 0.000 2.113 140 I HA -0.295 3.873 4.170 -0.003 0.000 0.238 140 I C 2.022 178.184 176.117 0.075 0.000 1.070 140 I CA 1.631 63.010 61.300 0.131 0.000 1.332 140 I CB -0.359 37.693 38.000 0.086 0.000 1.044 140 I HN 0.145 nan 8.210 nan 0.000 0.402 141 E N -0.270 119.959 120.200 0.048 0.000 2.150 141 E HA -0.187 4.162 4.350 -0.003 0.000 0.193 141 E C 2.160 178.690 176.600 -0.117 0.000 0.985 141 E CA 0.948 57.338 56.400 -0.016 0.000 0.814 141 E CB -0.145 29.552 29.700 -0.005 0.000 0.752 141 E HN 0.502 nan 8.360 nan 0.000 0.466 142 H N -1.925 116.952 119.070 -0.320 0.000 2.403 142 H HA -0.002 4.552 4.556 -0.003 0.000 0.298 142 H C 0.863 175.838 175.328 -0.589 0.000 1.059 142 H CA 1.293 56.951 56.048 -0.650 0.000 1.363 142 H CB 0.406 29.413 29.762 -1.258 0.000 1.410 142 H HN 0.314 nan 8.280 nan 0.000 0.528 143 Y N -1.842 118.541 120.300 0.139 0.000 2.435 143 Y HA -0.010 4.538 4.550 -0.003 0.000 0.270 143 Y C 1.899 177.884 175.900 0.142 0.000 1.093 143 Y CA -0.342 57.836 58.100 0.131 0.000 1.226 143 Y CB 0.455 38.992 38.460 0.128 0.000 1.289 143 Y HN -0.037 nan 8.280 nan 0.000 0.529 144 L N 1.107 122.473 121.223 0.238 0.000 2.072 144 L HA -0.092 4.246 4.340 -0.003 0.000 0.205 144 L C 2.360 179.346 176.870 0.193 0.000 1.079 144 L CA 1.892 56.850 54.840 0.196 0.000 0.752 144 L CB -0.495 41.633 42.059 0.115 0.000 0.906 144 L HN 0.186 nan 8.230 nan 0.000 0.436 145 E N 0.083 120.363 120.200 0.133 0.000 2.058 145 E HA -0.275 4.073 4.350 -0.003 0.000 0.194 145 E C 1.951 178.626 176.600 0.124 0.000 0.997 145 E CA 1.852 58.316 56.400 0.106 0.000 0.801 145 E CB -0.075 29.664 29.700 0.065 0.000 0.746 145 E HN 0.671 nan 8.360 nan 0.000 0.450 146 E N -0.477 119.815 120.200 0.154 0.000 2.110 146 E HA -0.174 4.174 4.350 -0.003 0.000 0.193 146 E C 1.980 178.683 176.600 0.171 0.000 0.988 146 E CA 1.032 57.525 56.400 0.155 0.000 0.804 146 E CB -0.312 29.500 29.700 0.186 0.000 0.745 146 E HN 0.249 nan 8.360 nan 0.000 0.458 147 F N 1.391 121.397 119.950 0.092 0.000 2.046 147 F HA -0.213 4.312 4.527 -0.004 0.000 0.297 147 F C 1.958 177.763 175.800 0.007 0.000 1.123 147 F CA 1.465 59.508 58.000 0.073 0.000 1.199 147 F CB -0.164 38.860 39.000 0.039 0.000 0.972 147 F HN -0.090 nan 8.300 nan 0.000 0.474 148 L N -0.673 120.599 121.223 0.083 0.000 2.093 148 L HA -0.200 4.139 4.340 -0.003 0.000 0.208 148 L C 2.358 179.096 176.870 -0.219 0.000 1.085 148 L CA 1.640 56.377 54.840 -0.171 0.000 0.755 148 L CB -1.078 40.990 42.059 0.015 0.000 0.904 148 L HN 0.170 nan 8.230 nan 0.000 0.435 149 T N -0.643 113.868 114.554 -0.073 0.000 2.746 149 T HA -0.176 4.172 4.350 -0.003 0.000 0.267 149 T C 2.125 176.764 174.700 -0.102 0.000 1.039 149 T CA 1.755 63.820 62.100 -0.059 0.000 1.142 149 T CB -0.181 68.688 68.868 0.001 0.000 0.866 149 T HN 0.549 nan 8.240 nan 0.000 0.444 150 S N 1.741 117.399 115.700 -0.070 0.000 2.387 150 S HA 0.084 4.552 4.470 -0.003 0.000 0.226 150 S C 2.425 176.901 174.600 -0.207 0.000 1.026 150 S CA 0.856 59.059 58.200 0.005 0.000 0.972 150 S CB -0.554 62.772 63.200 0.210 0.000 0.814 150 S HN 0.477 nan 8.310 nan 0.000 0.477 151 A N 2.816 125.328 122.820 -0.513 0.000 1.902 151 A HA -0.130 4.188 4.320 -0.003 0.000 0.217 151 A C 2.107 179.464 177.584 -0.379 0.000 1.181 151 A CA 1.870 53.320 52.037 -0.979 0.000 0.623 151 A CB -1.400 16.869 19.000 -1.218 0.000 0.818 151 A HN 0.641 nan 8.150 nan 0.000 0.443 152 N N -0.056 118.506 118.700 -0.229 0.000 2.094 152 N HA -0.228 4.510 4.740 -0.003 0.000 0.191 152 N C 1.695 177.154 175.510 -0.085 0.000 1.023 152 N CA 2.258 55.321 53.050 0.022 0.000 0.857 152 N CB -0.277 38.202 38.487 -0.013 0.000 1.013 152 N HN 0.574 nan 8.380 nan 0.000 0.426 153 K N -1.731 118.536 120.400 -0.222 0.000 2.103 153 K HA -0.086 4.232 4.320 -0.003 0.000 0.204 153 K C 0.968 177.321 176.600 -0.412 0.000 1.052 153 K CA 1.119 57.186 56.287 -0.366 0.000 0.945 153 K CB 0.034 32.202 32.500 -0.553 0.000 0.722 153 K HN 0.387 nan 8.250 nan 0.000 0.443 154 H N -2.072 116.933 119.070 -0.109 0.000 3.255 154 H HA 0.080 4.634 4.556 -0.003 0.000 0.256 154 H C -0.660 174.626 175.328 -0.071 0.000 1.049 154 H CA -0.309 55.706 56.048 -0.055 0.000 1.202 154 H CB 0.271 30.049 29.762 0.027 0.000 1.497 154 H HN 0.031 nan 8.280 nan 0.000 0.503 155 F N 3.334 123.087 119.950 -0.328 0.000 2.421 155 F HA 0.208 4.733 4.527 -0.004 0.000 0.358 155 F C 0.750 176.520 175.800 -0.051 0.000 1.115 155 F CA -0.682 57.150 58.000 -0.281 0.000 1.160 155 F CB 0.391 39.089 39.000 -0.504 0.000 1.123 155 F HN -0.013 nan 8.300 nan 0.000 0.508 156 M N 5.118 124.462 119.600 -0.426 0.000 2.253 156 M HA -0.191 4.287 4.480 -0.003 0.000 0.199 156 M C -0.460 175.812 176.300 -0.046 0.000 0.342 156 M CA 0.311 55.413 55.300 -0.330 0.000 0.417 156 M CB -2.866 29.373 32.600 -0.601 0.000 1.338 156 M HN 0.178 nan 8.290 nan 0.000 0.920 157 V N 0.436 120.349 119.914 -0.001 0.000 2.694 157 V HA 0.329 4.447 4.120 -0.003 0.000 0.306 157 V C 1.721 177.802 176.094 -0.021 0.000 1.054 157 V CA 1.753 64.053 62.300 -0.001 0.000 1.161 157 V CB 0.881 32.714 31.823 0.015 0.000 0.916 157 V HN 0.998 nan 8.190 nan 0.000 0.490 158 G N 3.397 112.125 108.800 -0.119 0.000 2.194 158 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.236 158 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.236 158 G C 0.040 174.580 174.900 -0.600 0.000 0.987 158 G CA 0.024 44.935 45.100 -0.314 0.000 0.635 158 G HN 0.780 nan 8.290 nan 0.000 0.520 159 H N 0.132 119.164 119.070 -0.063 0.000 2.768 159 H HA 0.402 4.956 4.556 -0.003 0.000 0.371 159 H C -2.757 172.523 175.328 -0.081 0.000 1.151 159 H CA -1.807 54.204 56.048 -0.062 0.000 1.165 159 H CB 2.143 31.858 29.762 -0.079 0.000 1.722 159 H HN 0.005 nan 8.280 nan 0.000 0.543 160 P HA -0.029 nan 4.420 nan 0.000 0.264 160 P C -0.386 176.889 177.300 -0.043 0.000 1.193 160 P CA 0.022 63.106 63.100 -0.026 0.000 0.763 160 P CB 0.495 32.189 31.700 -0.009 0.000 0.810 161 V N 2.026 121.856 119.914 -0.139 0.000 2.769 161 V HA 0.636 4.754 4.120 -0.003 0.000 0.312 161 V C -0.479 175.382 176.094 -0.388 0.000 1.061 161 V CA -0.905 61.276 62.300 -0.199 0.000 0.931 161 V CB 2.202 33.900 31.823 -0.208 0.000 1.010 161 V HN 0.256 nan 8.190 nan 0.000 0.433 162 I N 3.685 124.042 120.570 -0.355 0.000 2.418 162 I HA 0.477 4.645 4.170 -0.003 0.000 0.287 162 I C -0.840 174.920 176.117 -0.595 0.000 1.008 162 I CA -0.235 60.768 61.300 -0.495 0.000 1.104 162 I CB 1.657 39.403 38.000 -0.423 0.000 1.264 162 I HN 0.558 nan 8.210 nan 0.000 0.438 163 F N 5.443 125.259 119.950 -0.223 0.000 2.420 163 F HA 0.349 4.875 4.527 -0.002 0.000 0.352 163 F C -0.323 175.360 175.800 -0.196 0.000 1.108 163 F CA -0.606 57.316 58.000 -0.131 0.000 1.162 163 F CB 0.576 39.642 39.000 0.109 0.000 1.118 163 F HN 0.314 nan 8.300 nan 0.000 0.510 164 Y N 4.230 124.708 120.300 0.296 0.000 2.369 164 Y HA 0.503 5.050 4.550 -0.004 0.000 0.337 164 Y C -0.156 175.772 175.900 0.046 0.000 0.961 164 Y CA -0.785 57.433 58.100 0.197 0.000 1.186 164 Y CB 0.795 39.367 38.460 0.186 0.000 1.139 164 Y HN 0.370 nan 8.280 nan 0.000 0.494 165 I N 4.719 125.358 120.570 0.115 0.000 2.339 165 I HA 0.323 4.491 4.170 -0.003 0.000 0.290 165 I C -0.625 175.420 176.117 -0.121 0.000 0.994 165 I CA -0.597 60.668 61.300 -0.058 0.000 1.191 165 I CB 1.091 39.026 38.000 -0.109 0.000 1.343 165 I HN 0.493 nan 8.210 nan 0.000 0.458 166 M N 7.968 127.374 119.600 -0.323 0.000 2.101 166 M HA 0.474 4.952 4.480 -0.003 0.000 0.340 166 M C -0.565 175.611 176.300 -0.207 0.000 1.057 166 M CA -0.512 54.556 55.300 -0.386 0.000 0.984 166 M CB 1.425 33.377 32.600 -1.081 0.000 1.560 166 M HN 0.405 nan 8.290 nan 0.000 0.435 167 V N 0.282 120.148 119.914 -0.081 0.000 3.040 167 V HA 0.689 4.807 4.120 -0.003 0.000 0.312 167 V C 0.082 176.182 176.094 0.010 0.000 1.115 167 V CA -0.785 61.501 62.300 -0.024 0.000 0.998 167 V CB 2.121 33.926 31.823 -0.030 0.000 1.042 167 V HN 0.836 nan 8.190 nan 0.000 0.433 168 D N -0.046 120.372 120.400 0.029 0.000 2.333 168 D HA 0.053 4.692 4.640 -0.003 0.000 0.208 168 D C 0.093 176.407 176.300 0.023 0.000 0.984 168 D CA 0.642 54.663 54.000 0.033 0.000 0.873 168 D CB 0.459 41.283 40.800 0.041 0.000 0.935 168 D HN 0.681 nan 8.370 nan 0.000 0.521 169 D N 0.384 120.793 120.400 0.015 0.000 2.336 169 D HA 0.114 4.752 4.640 -0.003 0.000 0.248 169 D C 0.959 177.254 176.300 -0.009 0.000 1.326 169 D CA -0.615 53.389 54.000 0.007 0.000 0.973 169 D CB 1.840 42.649 40.800 0.015 0.000 1.255 169 D HN -0.256 nan 8.370 nan 0.000 0.558 170 V N 2.649 122.550 119.914 -0.021 0.000 2.626 170 V HA -0.173 3.945 4.120 -0.003 0.000 0.252 170 V C 2.447 178.516 176.094 -0.041 0.000 1.067 170 V CA 1.987 64.260 62.300 -0.046 0.000 1.081 170 V CB -0.596 31.192 31.823 -0.058 0.000 0.686 170 V HN 0.684 nan 8.190 nan 0.000 0.468 171 S N 0.651 116.337 115.700 -0.024 0.000 2.500 171 S HA -0.170 4.299 4.470 -0.003 0.000 0.239 171 S C 1.785 176.375 174.600 -0.016 0.000 0.989 171 S CA 1.111 59.300 58.200 -0.020 0.000 0.951 171 S CB -0.382 62.812 63.200 -0.011 0.000 0.759 171 S HN 0.645 nan 8.310 nan 0.000 0.523 172 R N -0.148 120.344 120.500 -0.013 0.000 2.393 172 R HA 0.391 4.730 4.340 -0.003 0.000 0.244 172 R C 0.153 176.446 176.300 -0.012 0.000 0.920 172 R CA -0.229 55.868 56.100 -0.005 0.000 1.076 172 R CB 0.017 30.322 30.300 0.009 0.000 1.119 172 R HN 0.432 nan 8.270 nan 0.000 0.524 173 M N 3.260 122.841 119.600 -0.033 0.000 2.356 173 M HA 0.092 4.570 4.480 -0.003 0.000 0.348 173 M C -2.199 174.080 176.300 -0.036 0.000 1.595 173 M CA -2.058 53.209 55.300 -0.055 0.000 1.095 173 M CB 0.382 32.917 32.600 -0.109 0.000 1.963 173 M HN -0.169 nan 8.290 nan 0.000 0.459 174 P HA 0.081 nan 4.420 nan 0.000 0.276 174 P C -0.906 176.412 177.300 0.029 0.000 1.235 174 P CA -0.008 63.100 63.100 0.015 0.000 0.772 174 P CB 0.645 32.365 31.700 0.033 0.000 0.871 175 L N 5.167 126.421 121.223 0.051 0.000 2.828 175 L HA 0.257 4.595 4.340 -0.003 0.000 0.233 175 L C 1.076 178.053 176.870 0.178 0.000 1.250 175 L CA -0.938 53.972 54.840 0.116 0.000 1.125 175 L CB -0.309 41.794 42.059 0.074 0.000 1.432 175 L HN 0.423 nan 8.230 nan 0.000 0.444 176 I N -1.860 118.828 120.570 0.197 0.000 3.045 176 I HA 0.005 4.174 4.170 -0.003 0.000 0.288 176 I C 0.533 176.713 176.117 0.105 0.000 1.238 176 I CA -0.104 61.275 61.300 0.133 0.000 1.396 176 I CB 0.511 38.579 38.000 0.114 0.000 1.355 176 I HN 0.416 nan 8.210 nan 0.000 0.601 177 E N 4.734 124.955 120.200 0.034 0.000 2.316 177 E HA 0.367 4.715 4.350 -0.003 0.000 0.275 177 E C -1.173 175.388 176.600 -0.065 0.000 1.029 177 E CA -0.546 55.844 56.400 -0.016 0.000 0.871 177 E CB 0.835 30.526 29.700 -0.015 0.000 1.022 177 E HN 0.573 nan 8.360 nan 0.000 0.418 178 L N 3.394 124.533 121.223 -0.139 0.000 2.344 178 L HA 0.544 4.882 4.340 -0.003 0.000 0.272 178 L C 0.838 177.635 176.870 -0.121 0.000 1.035 178 L CA -0.809 53.930 54.840 -0.167 0.000 0.807 178 L CB 1.697 43.555 42.059 -0.335 0.000 1.237 178 L HN 0.677 nan 8.230 nan 0.000 0.442 179 G N 0.864 109.605 108.800 -0.098 0.000 2.535 179 G HA2 0.502 4.460 3.960 -0.003 0.000 0.303 179 G HA3 0.502 4.460 3.960 -0.003 0.000 0.303 179 G C -2.663 172.181 174.900 -0.095 0.000 1.237 179 G CA -1.326 43.724 45.100 -0.084 0.000 0.986 179 G HN 0.330 nan 8.290 nan 0.000 0.494 180 P HA 0.121 nan 4.420 nan 0.000 0.264 180 P C 0.617 177.860 177.300 -0.095 0.000 1.183 180 P CA 0.317 63.369 63.100 -0.081 0.000 0.763 180 P CB 0.362 32.022 31.700 -0.067 0.000 0.807 181 L N -1.230 119.932 121.223 -0.101 0.000 4.696 181 L HA -0.284 4.054 4.340 -0.003 0.000 0.425 181 L C 0.280 177.053 176.870 -0.161 0.000 1.115 181 L CA 0.755 55.529 54.840 -0.111 0.000 0.996 181 L CB -1.128 40.874 42.059 -0.095 0.000 2.077 181 L HN 0.495 nan 8.230 nan 0.000 0.792 182 R N 0.248 120.631 120.500 -0.196 0.000 2.532 182 R HA 0.777 5.115 4.340 -0.003 0.000 0.295 182 R C 0.057 176.163 176.300 -0.322 0.000 0.968 182 R CA 0.344 56.252 56.100 -0.319 0.000 0.916 182 R CB 1.993 32.133 30.300 -0.268 0.000 1.124 182 R HN 0.256 nan 8.270 nan 0.000 0.463 183 S N 1.435 116.899 115.700 -0.393 0.000 2.656 183 S HA 0.787 5.255 4.470 -0.003 0.000 0.273 183 S C -0.950 173.525 174.600 -0.208 0.000 1.168 183 S CA -1.025 56.991 58.200 -0.306 0.000 0.817 183 S CB 1.265 64.368 63.200 -0.161 0.000 1.146 183 S HN 0.558 nan 8.310 nan 0.000 0.475 184 F N -1.141 118.756 119.950 -0.089 0.000 2.715 184 F HA 0.887 5.412 4.527 -0.005 0.000 0.318 184 F C -1.272 174.478 175.800 -0.083 0.000 1.141 184 F CA -1.424 56.536 58.000 -0.066 0.000 0.950 184 F CB 1.690 40.742 39.000 0.087 0.000 1.374 184 F HN 0.940 nan 8.300 nan 0.000 0.477 185 K N 0.399 120.862 120.400 0.105 0.000 2.551 185 K HA 0.764 5.082 4.320 -0.003 0.000 0.269 185 K C -2.435 173.975 176.600 -0.316 0.000 0.949 185 K CA -0.954 55.248 56.287 -0.142 0.000 0.849 185 K CB 2.722 35.127 32.500 -0.158 0.000 1.411 185 K HN 0.549 nan 8.250 nan 0.000 0.432 186 V N 1.920 121.520 119.914 -0.522 0.000 2.604 186 V HA 0.566 4.684 4.120 -0.003 0.000 0.305 186 V C -1.255 174.439 176.094 -0.665 0.000 1.043 186 V CA -0.671 61.351 62.300 -0.463 0.000 0.888 186 V CB 1.065 32.668 31.823 -0.366 0.000 0.995 186 V HN 0.658 nan 8.190 nan 0.000 0.429 187 F N 2.280 122.175 119.950 -0.091 0.000 2.520 187 F HA 0.522 5.047 4.527 -0.003 0.000 0.322 187 F C 0.186 175.946 175.800 -0.067 0.000 1.103 187 F CA -0.763 57.207 58.000 -0.049 0.000 0.926 187 F CB 1.906 40.901 39.000 -0.008 0.000 1.154 187 F HN 0.293 nan 8.300 nan 0.000 0.453 188 K N 5.214 125.699 120.400 0.143 0.000 2.276 188 K HA 0.563 4.882 4.320 -0.003 0.000 0.285 188 K C -0.762 175.898 176.600 0.100 0.000 1.062 188 K CA -0.286 56.048 56.287 0.078 0.000 0.918 188 K CB 0.541 33.069 32.500 0.047 0.000 1.055 188 K HN 0.768 nan 8.250 nan 0.000 0.477 189 I N 0.351 120.964 120.570 0.072 0.000 2.910 189 I HA 0.435 4.603 4.170 -0.003 0.000 0.310 189 I C -0.468 175.684 176.117 0.058 0.000 1.043 189 I CA -1.183 60.162 61.300 0.075 0.000 1.053 189 I CB 1.624 39.679 38.000 0.092 0.000 1.242 189 I HN 0.463 nan 8.210 nan 0.000 0.452 190 K N 4.283 124.714 120.400 0.050 0.000 2.322 190 K HA 0.350 4.668 4.320 -0.003 0.000 0.283 190 K C -2.439 174.183 176.600 0.037 0.000 1.042 190 K CA -1.313 54.996 56.287 0.036 0.000 0.958 190 K CB 0.709 33.223 32.500 0.024 0.000 0.984 190 K HN 0.486 nan 8.250 nan 0.000 0.473 191 P HA 0.113 nan 4.420 nan 0.000 0.282 191 P C -0.757 176.553 177.300 0.016 0.000 1.274 191 P CA -0.161 62.956 63.100 0.029 0.000 0.770 191 P CB 0.858 32.578 31.700 0.033 0.000 0.867 192 E N 2.977 123.179 120.200 0.003 0.000 2.392 192 E HA 0.046 4.395 4.350 -0.003 0.000 0.256 192 E C 0.979 177.574 176.600 -0.009 0.000 1.145 192 E CA -0.186 56.207 56.400 -0.011 0.000 0.929 192 E CB 0.802 30.482 29.700 -0.033 0.000 0.998 192 E HN 0.317 nan 8.360 nan 0.000 0.442 193 K N 0.733 121.122 120.400 -0.017 0.000 2.062 193 K HA -0.025 4.293 4.320 -0.003 0.000 0.205 193 K C 0.620 177.210 176.600 -0.017 0.000 1.051 193 K CA 1.002 57.283 56.287 -0.010 0.000 0.941 193 K CB 0.115 32.606 32.500 -0.016 0.000 0.719 193 K HN 0.223 nan 8.250 nan 0.000 0.440 194 R N 0.772 121.230 120.500 -0.070 0.000 2.368 194 R HA 0.094 4.432 4.340 -0.003 0.000 0.302 194 R C 0.883 177.093 176.300 -0.150 0.000 1.002 194 R CA -0.480 55.534 56.100 -0.143 0.000 0.929 194 R CB 0.582 30.725 30.300 -0.262 0.000 1.073 194 R HN 0.330 nan 8.270 nan 0.000 0.464 195 W N 3.030 124.270 121.300 -0.101 0.000 2.350 195 W HA -0.220 4.438 4.660 -0.003 0.000 0.289 195 W C 0.423 176.812 176.519 -0.216 0.000 1.215 195 W CA 0.789 58.047 57.345 -0.145 0.000 1.236 195 W CB -0.355 29.032 29.460 -0.121 0.000 1.130 195 W HN 0.572 nan 8.180 nan 0.000 0.541 196 Q N 1.059 120.196 119.800 -1.106 0.000 2.124 196 Q HA -0.154 4.184 4.340 -0.003 0.000 0.202 196 Q C 1.808 177.520 176.000 -0.479 0.000 0.977 196 Q CA 2.268 57.384 55.803 -1.145 0.000 0.850 196 Q CB -0.461 27.481 28.738 -1.327 0.000 0.901 196 Q HN 0.226 nan 8.270 nan 0.000 0.429 197 D N -0.336 119.867 120.400 -0.329 0.000 2.249 197 D HA -0.003 4.635 4.640 -0.003 0.000 0.205 197 D C 1.744 177.968 176.300 -0.126 0.000 0.962 197 D CA 0.520 54.418 54.000 -0.170 0.000 0.860 197 D CB 0.136 40.864 40.800 -0.119 0.000 0.955 197 D HN 0.266 nan 8.370 nan 0.000 0.505 198 I N 0.608 121.106 120.570 -0.120 0.000 2.163 198 I HA -0.271 3.897 4.170 -0.003 0.000 0.243 198 I C 2.569 178.581 176.117 -0.176 0.000 1.085 198 I CA 0.880 62.112 61.300 -0.112 0.000 1.347 198 I CB -0.230 37.721 38.000 -0.082 0.000 1.044 198 I HN -0.065 nan 8.210 nan 0.000 0.408 199 S N 0.609 116.226 115.700 -0.140 0.000 2.356 199 S HA -0.179 4.289 4.470 -0.003 0.000 0.223 199 S C 2.125 176.635 174.600 -0.150 0.000 1.032 199 S CA 1.439 59.554 58.200 -0.142 0.000 1.005 199 S CB -0.134 63.058 63.200 -0.013 0.000 0.867 199 S HN 0.281 nan 8.310 nan 0.000 0.449 200 M N -0.131 119.410 119.600 -0.098 0.000 2.254 200 M HA -0.001 4.478 4.480 -0.003 0.000 0.265 200 M C 2.200 178.476 176.300 -0.039 0.000 1.066 200 M CA 1.154 56.435 55.300 -0.032 0.000 1.123 200 M CB -0.300 32.307 32.600 0.012 0.000 1.388 200 M HN 0.389 nan 8.290 nan 0.000 0.425 201 M N 0.273 119.813 119.600 -0.099 0.000 2.476 201 M HA -0.057 4.421 4.480 -0.003 0.000 0.262 201 M C 1.790 177.881 176.300 -0.347 0.000 1.079 201 M CA 1.505 56.702 55.300 -0.172 0.000 1.104 201 M CB -0.265 32.265 32.600 -0.117 0.000 1.409 201 M HN 0.034 nan 8.290 nan 0.000 0.467 202 R N -0.761 119.457 120.500 -0.470 0.000 2.139 202 R HA -0.173 4.165 4.340 -0.003 0.000 0.243 202 R C 1.911 177.992 176.300 -0.364 0.000 1.145 202 R CA 1.629 57.272 56.100 -0.762 0.000 0.976 202 R CB -0.558 29.087 30.300 -1.092 0.000 0.866 202 R HN 0.401 nan 8.270 nan 0.000 0.449 203 M N 0.783 120.225 119.600 -0.264 0.000 2.117 203 M HA -0.169 4.310 4.480 -0.003 0.000 0.262 203 M C 2.193 178.299 176.300 -0.323 0.000 1.065 203 M CA 1.586 56.778 55.300 -0.180 0.000 1.114 203 M CB -0.784 31.778 32.600 -0.063 0.000 1.361 203 M HN 0.094 nan 8.290 nan 0.000 0.408 204 K N -0.123 119.840 120.400 -0.729 0.000 2.002 204 K HA -0.136 4.182 4.320 -0.003 0.000 0.209 204 K C 1.864 178.241 176.600 -0.373 0.000 1.048 204 K CA 1.942 57.704 56.287 -0.875 0.000 0.930 204 K CB -0.033 31.594 32.500 -1.455 0.000 0.714 204 K HN 0.241 nan 8.250 nan 0.000 0.438 205 T N 1.749 116.162 114.554 -0.234 0.000 2.746 205 T HA -0.112 4.236 4.350 -0.003 0.000 0.267 205 T C 1.891 176.656 174.700 0.109 0.000 1.039 205 T CA 1.521 63.634 62.100 0.022 0.000 1.142 205 T CB -0.164 68.833 68.868 0.215 0.000 0.866 205 T HN 0.202 nan 8.240 nan 0.000 0.444 206 I N 1.153 121.767 120.570 0.073 0.000 2.226 206 I HA -0.124 4.044 4.170 -0.003 0.000 0.245 206 I C 2.880 178.966 176.117 -0.052 0.000 1.100 206 I CA 1.349 62.670 61.300 0.034 0.000 1.374 206 I CB -0.661 37.374 38.000 0.058 0.000 1.057 206 I HN 0.317 nan 8.210 nan 0.000 0.413 207 G N 0.118 108.865 108.800 -0.088 0.000 2.408 207 G HA2 -0.209 3.750 3.960 -0.003 0.000 0.217 207 G HA3 -0.209 3.750 3.960 -0.003 0.000 0.217 207 G C 1.502 176.318 174.900 -0.141 0.000 1.150 207 G CA 0.496 45.526 45.100 -0.118 0.000 0.776 207 G HN 0.398 nan 8.290 nan 0.000 0.542 208 E N -0.186 119.930 120.200 -0.141 0.000 2.085 208 E HA -0.141 4.207 4.350 -0.003 0.000 0.194 208 E C 2.238 178.663 176.600 -0.291 0.000 0.994 208 E CA 0.945 57.227 56.400 -0.196 0.000 0.801 208 E CB -0.210 29.364 29.700 -0.209 0.000 0.743 208 E HN 0.528 nan 8.360 nan 0.000 0.453 209 H N -0.004 118.884 119.070 -0.304 0.000 2.423 209 H HA -0.041 4.512 4.556 -0.003 0.000 0.297 209 H C 2.277 177.221 175.328 -0.640 0.000 1.075 209 H CA 0.947 56.699 56.048 -0.492 0.000 1.342 209 H CB 0.081 29.507 29.762 -0.561 0.000 1.395 209 H HN 0.187 nan 8.280 nan 0.000 0.530 210 I N 0.207 120.578 120.570 -0.333 0.000 2.226 210 I HA -0.234 3.935 4.170 -0.003 0.000 0.245 210 I C 2.488 178.408 176.117 -0.328 0.000 1.100 210 I CA 0.725 61.815 61.300 -0.349 0.000 1.374 210 I CB -0.145 37.717 38.000 -0.231 0.000 1.057 210 I HN 0.003 nan 8.210 nan 0.000 0.413 211 V N 0.932 120.697 119.914 -0.248 0.000 2.295 211 V HA -0.278 3.840 4.120 -0.003 0.000 0.246 211 V C 2.649 178.646 176.094 -0.162 0.000 1.049 211 V CA 2.054 64.239 62.300 -0.192 0.000 1.024 211 V CB -0.945 30.796 31.823 -0.137 0.000 0.648 211 V HN 0.495 nan 8.190 nan 0.000 0.447 212 A N -0.042 122.676 122.820 -0.170 0.000 1.929 212 A HA -0.152 4.166 4.320 -0.003 0.000 0.216 212 A C 1.876 179.527 177.584 0.111 0.000 1.176 212 A CA 2.343 54.356 52.037 -0.040 0.000 0.628 212 A CB -0.351 18.604 19.000 -0.075 0.000 0.816 212 A HN 0.964 nan 8.150 nan 0.000 0.444 213 H N -5.242 113.790 119.070 -0.064 0.000 2.950 213 H HA 0.291 4.846 4.556 -0.002 0.000 0.202 213 H C 1.359 176.665 175.328 -0.036 0.000 0.893 213 H CA 0.178 56.257 56.048 0.052 0.000 0.931 213 H CB -0.420 29.401 29.762 0.097 0.000 1.158 213 H HN 0.169 nan 8.280 nan 0.000 0.545 214 I N 2.502 122.681 120.570 -0.652 0.000 2.361 214 I HA -0.237 3.931 4.170 -0.003 0.000 0.251 214 I C 2.534 178.521 176.117 -0.218 0.000 1.133 214 I CA 1.888 62.959 61.300 -0.382 0.000 1.413 214 I CB -0.363 37.284 38.000 -0.588 0.000 1.073 214 I HN 0.490 nan 8.210 nan 0.000 0.424 215 Q N 0.586 120.179 119.800 -0.345 0.000 2.234 215 Q HA -0.230 4.108 4.340 -0.003 0.000 0.206 215 Q C 1.507 177.315 176.000 -0.321 0.000 0.980 215 Q CA 1.576 57.167 55.803 -0.354 0.000 0.869 215 Q CB -0.432 28.027 28.738 -0.464 0.000 0.912 215 Q HN 0.590 nan 8.270 nan 0.000 0.436 216 H N -0.090 118.976 119.070 -0.006 0.000 2.553 216 H HA 0.203 4.758 4.556 -0.002 0.000 0.265 216 H C 0.691 176.050 175.328 0.052 0.000 0.964 216 H CA 0.740 56.801 56.048 0.022 0.000 1.156 216 H CB 0.574 30.360 29.762 0.039 0.000 1.411 216 H HN 0.554 nan 8.280 nan 0.000 0.558 217 E N 0.546 120.839 120.200 0.155 0.000 2.372 217 E HA 0.096 4.444 4.350 -0.003 0.000 0.201 217 E C 0.453 177.135 176.600 0.137 0.000 0.938 217 E CA 0.103 56.613 56.400 0.184 0.000 0.944 217 E CB 1.334 31.220 29.700 0.310 0.000 0.937 217 E HN 0.134 nan 8.360 nan 0.000 0.495 218 V N -2.084 117.888 119.914 0.096 0.000 3.078 218 V HA 0.339 4.457 4.120 -0.003 0.000 0.311 218 V C -0.302 175.772 176.094 -0.034 0.000 1.138 218 V CA -0.828 61.516 62.300 0.073 0.000 1.007 218 V CB 2.234 34.147 31.823 0.150 0.000 1.045 218 V HN -0.123 nan 8.190 nan 0.000 0.432 219 D N 0.813 121.168 120.400 -0.076 0.000 2.301 219 D HA 0.226 4.864 4.640 -0.003 0.000 0.206 219 D C -0.422 175.434 176.300 -0.741 0.000 0.979 219 D CA 1.531 55.323 54.000 -0.346 0.000 0.874 219 D CB 0.521 41.154 40.800 -0.278 0.000 0.968 219 D HN 0.517 nan 8.370 nan 0.000 0.510 220 F N 0.138 120.068 119.950 -0.032 0.000 2.601 220 F HA 0.419 4.945 4.527 -0.003 0.000 0.309 220 F C -0.722 175.080 175.800 0.003 0.000 1.089 220 F CA -1.181 56.781 58.000 -0.062 0.000 0.940 220 F CB 2.088 41.018 39.000 -0.116 0.000 1.273 220 F HN -0.335 nan 8.300 nan 0.000 0.450 221 L N 2.226 123.520 121.223 0.119 0.000 2.408 221 L HA 0.713 5.052 4.340 -0.003 0.000 0.268 221 L C -1.954 174.892 176.870 -0.039 0.000 0.986 221 L CA -0.491 54.422 54.840 0.122 0.000 0.820 221 L CB 1.496 43.582 42.059 0.044 0.000 1.303 221 L HN 0.474 nan 8.230 nan 0.000 0.411 222 F N 2.894 122.954 119.950 0.182 0.000 2.492 222 F HA 0.614 5.139 4.527 -0.003 0.000 0.327 222 F C -0.194 175.541 175.800 -0.110 0.000 1.079 222 F CA -0.178 57.857 58.000 0.057 0.000 0.967 222 F CB 1.758 40.852 39.000 0.157 0.000 1.169 222 F HN 0.414 nan 8.300 nan 0.000 0.472 223 C N 4.462 123.631 119.300 -0.219 0.000 2.319 223 C HA 0.751 5.209 4.460 -0.003 0.000 0.323 223 C C -0.209 174.570 174.990 -0.350 0.000 1.277 223 C CA -1.031 57.745 59.018 -0.403 0.000 1.517 223 C CB -0.072 27.114 27.740 -0.923 0.000 2.206 223 C HN 0.706 nan 8.230 nan 0.000 0.486 224 M N 1.714 121.218 119.600 -0.161 0.000 2.572 224 M HA 0.342 4.820 4.480 -0.003 0.000 0.299 224 M C -1.044 175.127 176.300 -0.215 0.000 1.205 224 M CA -0.447 54.761 55.300 -0.154 0.000 0.876 224 M CB 1.942 34.514 32.600 -0.047 0.000 1.728 224 M HN 0.551 nan 8.290 nan 0.000 0.458 225 D N 0.880 121.143 120.400 -0.228 0.000 2.400 225 D HA 0.038 4.676 4.640 -0.003 0.000 0.238 225 D C 0.470 176.530 176.300 -0.400 0.000 1.157 225 D CA 0.111 53.958 54.000 -0.256 0.000 0.889 225 D CB 1.405 42.051 40.800 -0.257 0.000 1.199 225 D HN 0.316 nan 8.370 nan 0.000 0.436 226 V N 1.284 120.989 119.914 -0.348 0.000 3.506 226 V HA -0.057 4.061 4.120 -0.003 0.000 0.263 226 V C 0.267 176.243 176.094 -0.197 0.000 1.203 226 V CA 0.551 62.579 62.300 -0.452 0.000 1.133 226 V CB -0.185 31.519 31.823 -0.198 0.000 0.802 226 V HN 0.536 nan 8.190 nan 0.000 0.459 227 D N 1.784 122.007 120.400 -0.296 0.000 3.085 227 D HA 0.138 4.776 4.640 -0.003 0.000 0.243 227 D C 0.199 176.306 176.300 -0.321 0.000 1.232 227 D CA -0.146 53.464 54.000 -0.651 0.000 0.913 227 D CB -0.093 40.224 40.800 -0.805 0.000 1.108 227 D HN 0.768 nan 8.370 nan 0.000 0.468 228 Q N -1.906 117.855 119.800 -0.064 0.000 2.738 228 Q HA 0.631 4.969 4.340 -0.003 0.000 0.301 228 Q C -1.817 174.262 176.000 0.133 0.000 0.901 228 Q CA -1.186 54.637 55.803 0.033 0.000 0.756 228 Q CB 1.513 30.228 28.738 -0.040 0.000 1.463 228 Q HN -0.052 nan 8.270 nan 0.000 0.432 229 V N 1.017 120.973 119.914 0.071 0.000 2.733 229 V HA 0.463 4.581 4.120 -0.003 0.000 0.306 229 V C -1.116 174.989 176.094 0.018 0.000 1.084 229 V CA -0.695 61.656 62.300 0.084 0.000 0.905 229 V CB 1.673 33.594 31.823 0.163 0.000 1.010 229 V HN 0.691 nan 8.190 nan 0.000 0.424 230 F N 3.011 122.954 119.950 -0.011 0.000 2.484 230 F HA 0.315 4.840 4.527 -0.002 0.000 0.360 230 F C 1.449 177.277 175.800 0.047 0.000 1.101 230 F CA 0.357 58.375 58.000 0.030 0.000 1.251 230 F CB 0.960 39.991 39.000 0.052 0.000 1.132 230 F HN 0.486 nan 8.300 nan 0.000 0.570 231 Q N 0.725 120.561 119.800 0.059 0.000 2.322 231 Q HA 0.184 4.522 4.340 -0.003 0.000 0.250 231 Q C -0.242 175.507 176.000 -0.419 0.000 0.853 231 Q CA 0.410 56.181 55.803 -0.053 0.000 0.951 231 Q CB 1.136 29.922 28.738 0.081 0.000 1.114 231 Q HN 0.664 nan 8.270 nan 0.000 0.523 232 D N -0.509 119.554 120.400 -0.562 0.000 2.768 232 D HA 0.151 4.789 4.640 -0.003 0.000 0.327 232 D C -0.905 175.277 176.300 -0.196 0.000 1.302 232 D CA -0.496 53.194 54.000 -0.516 0.000 0.897 232 D CB 1.400 42.111 40.800 -0.148 0.000 1.420 232 D HN -0.326 nan 8.370 nan 0.000 0.494 233 K N 0.972 121.401 120.400 0.049 0.000 2.472 233 K HA 0.089 4.407 4.320 -0.003 0.000 0.280 233 K C -0.294 176.433 176.600 0.211 0.000 1.028 233 K CA 0.285 56.688 56.287 0.193 0.000 1.045 233 K CB -0.223 32.379 32.500 0.171 0.000 0.902 233 K HN 0.314 nan 8.250 nan 0.000 0.478 234 F N 2.647 122.687 119.950 0.150 0.000 2.363 234 F HA 0.333 4.858 4.527 -0.003 0.000 0.366 234 F C 0.561 176.344 175.800 -0.028 0.000 1.083 234 F CA -0.449 57.673 58.000 0.205 0.000 1.176 234 F CB 0.603 39.896 39.000 0.489 0.000 1.432 234 F HN 0.569 nan 8.300 nan 0.000 0.482 235 G N 1.518 110.322 108.800 0.006 0.000 2.971 235 G HA2 0.322 4.280 3.960 -0.003 0.000 0.235 235 G HA3 0.322 4.280 3.960 -0.003 0.000 0.235 235 G C 0.735 175.487 174.900 -0.246 0.000 1.351 235 G CA -0.105 44.932 45.100 -0.105 0.000 1.039 235 G HN 0.481 nan 8.290 nan 0.000 0.563 236 V N -0.678 119.085 119.914 -0.251 0.000 3.078 236 V HA -0.039 4.079 4.120 -0.003 0.000 0.265 236 V C 2.212 178.073 176.094 -0.389 0.000 1.122 236 V CA 2.162 64.224 62.300 -0.398 0.000 1.141 236 V CB -0.600 31.006 31.823 -0.362 0.000 0.735 236 V HN 0.719 nan 8.190 nan 0.000 0.498 237 E N 2.781 122.764 120.200 -0.362 0.000 2.333 237 E HA -0.227 4.121 4.350 -0.003 0.000 0.198 237 E C 1.813 178.100 176.600 -0.523 0.000 1.007 237 E CA 1.842 57.960 56.400 -0.469 0.000 0.845 237 E CB -1.002 28.406 29.700 -0.486 0.000 0.766 237 E HN 0.820 nan 8.360 nan 0.000 0.507 238 T N -1.222 113.041 114.554 -0.485 0.000 3.081 238 T HA 0.237 4.586 4.350 -0.003 0.000 0.250 238 T C 1.185 175.776 174.700 -0.182 0.000 1.100 238 T CA -0.320 61.538 62.100 -0.404 0.000 1.038 238 T CB -0.200 68.382 68.868 -0.477 0.000 0.962 238 T HN 0.009 nan 8.240 nan 0.000 0.516 239 L N 1.352 122.338 121.223 -0.394 0.000 2.436 239 L HA 0.658 4.996 4.340 -0.003 0.000 0.265 239 L C 0.978 177.558 176.870 -0.482 0.000 1.168 239 L CA -0.083 54.398 54.840 -0.598 0.000 0.815 239 L CB 0.641 41.932 42.059 -1.278 0.000 1.109 239 L HN 0.494 nan 8.230 nan 0.000 0.462 240 G N 0.535 109.119 108.800 -0.360 0.000 2.349 240 G HA2 0.104 4.062 3.960 -0.003 0.000 0.294 240 G HA3 0.104 4.062 3.960 -0.003 0.000 0.294 240 G C -0.122 174.894 174.900 0.194 0.000 1.380 240 G CA -0.479 44.602 45.100 -0.032 0.000 0.811 240 G HN 0.456 nan 8.290 nan 0.000 0.519 241 E N -0.484 119.834 120.200 0.195 0.000 2.051 241 E HA -0.030 4.318 4.350 -0.003 0.000 0.192 241 E C 1.187 177.868 176.600 0.134 0.000 0.991 241 E CA 1.871 58.377 56.400 0.177 0.000 0.799 241 E CB -0.087 29.696 29.700 0.138 0.000 0.748 241 E HN 0.653 nan 8.360 nan 0.000 0.449 242 S N -0.320 115.451 115.700 0.118 0.000 2.619 242 S HA 0.532 5.000 4.470 -0.003 0.000 0.280 242 S C -0.604 174.024 174.600 0.045 0.000 1.150 242 S CA -0.964 57.319 58.200 0.138 0.000 0.978 242 S CB 2.142 65.493 63.200 0.251 0.000 1.041 242 S HN -0.099 nan 8.310 nan 0.000 0.485 243 V N 1.947 121.875 119.914 0.024 0.000 2.531 243 V HA 0.890 5.008 4.120 -0.003 0.000 0.301 243 V C 0.178 176.235 176.094 -0.062 0.000 1.034 243 V CA -0.466 61.805 62.300 -0.048 0.000 0.865 243 V CB 1.310 33.129 31.823 -0.006 0.000 0.995 243 V HN 1.251 nan 8.190 nan 0.000 0.424 244 A N 3.606 126.233 122.820 -0.321 0.000 2.356 244 A HA 0.892 5.210 4.320 -0.003 0.000 0.323 244 A C -0.777 176.764 177.584 -0.072 0.000 1.119 244 A CA -0.712 51.052 52.037 -0.454 0.000 0.790 244 A CB 1.861 19.955 19.000 -1.511 0.000 1.273 244 A HN 0.740 nan 8.150 nan 0.000 0.452 245 Q N 1.180 121.057 119.800 0.128 0.000 2.307 245 Q HA 0.555 4.893 4.340 -0.003 0.000 0.262 245 Q C -1.419 174.747 176.000 0.276 0.000 0.961 245 Q CA -0.167 55.753 55.803 0.194 0.000 0.882 245 Q CB 0.950 29.840 28.738 0.254 0.000 1.264 245 Q HN 0.650 nan 8.270 nan 0.000 0.446 246 L N 3.891 125.206 121.223 0.153 0.000 2.418 246 L HA 0.154 4.492 4.340 -0.003 0.000 0.274 246 L C 0.605 177.628 176.870 0.255 0.000 1.135 246 L CA -0.095 54.841 54.840 0.160 0.000 0.870 246 L CB 0.785 42.864 42.059 0.032 0.000 1.154 246 L HN 0.614 nan 8.230 nan 0.000 0.462 247 Q N 2.160 122.144 119.800 0.308 0.000 2.311 247 Q HA 0.041 4.380 4.340 -0.003 0.000 0.272 247 Q C 0.747 176.935 176.000 0.313 0.000 1.012 247 Q CA 0.292 56.272 55.803 0.295 0.000 0.891 247 Q CB 1.684 30.624 28.738 0.336 0.000 1.201 247 Q HN 0.826 nan 8.270 nan 0.000 0.391 248 A N 5.016 127.958 122.820 0.205 0.000 1.978 248 A HA -0.169 4.149 4.320 -0.003 0.000 0.220 248 A C 1.205 178.949 177.584 0.267 0.000 1.170 248 A CA 1.077 53.217 52.037 0.171 0.000 0.636 248 A CB -0.471 18.308 19.000 -0.370 0.000 0.810 248 A HN 0.869 nan 8.150 nan 0.000 0.448 249 W N -1.896 119.330 121.300 -0.124 0.000 2.436 249 W HA 0.041 4.700 4.660 -0.002 0.000 0.284 249 W C 1.252 177.441 176.519 -0.551 0.000 1.225 249 W CA -0.170 56.879 57.345 -0.493 0.000 1.271 249 W CB -1.109 27.771 29.460 -0.967 0.000 1.114 249 W HN 0.573 nan 8.180 nan 0.000 0.559 250 W N -0.768 120.775 121.300 0.404 0.000 3.005 250 W HA 0.116 4.774 4.660 -0.003 0.000 0.374 250 W C 1.800 178.528 176.519 0.348 0.000 1.076 250 W CA -0.461 57.072 57.345 0.313 0.000 1.794 250 W CB -1.125 28.448 29.460 0.188 0.000 1.113 250 W HN -0.048 nan 8.180 nan 0.000 0.584 251 Y N 0.177 120.739 120.300 0.437 0.000 2.403 251 Y HA 0.042 4.591 4.550 -0.003 0.000 0.291 251 Y C 1.579 177.759 175.900 0.466 0.000 1.143 251 Y CA 1.272 59.635 58.100 0.439 0.000 1.257 251 Y CB -0.426 38.268 38.460 0.389 0.000 0.984 251 Y HN -0.156 nan 8.280 nan 0.000 0.550 252 K N 0.840 121.109 120.400 -0.219 0.000 2.372 252 K HA 0.424 4.742 4.320 -0.003 0.000 0.200 252 K C 0.470 177.127 176.600 0.095 0.000 1.022 252 K CA 0.220 56.421 56.287 -0.144 0.000 1.125 252 K CB 0.419 32.671 32.500 -0.412 0.000 0.855 252 K HN 0.337 nan 8.250 nan 0.000 0.524 253 A N 1.284 124.285 122.820 0.300 0.000 2.287 253 A HA 0.177 4.496 4.320 -0.003 0.000 0.273 253 A C -0.294 177.375 177.584 0.142 0.000 1.091 253 A CA -0.327 51.902 52.037 0.320 0.000 0.817 253 A CB 0.395 19.794 19.000 0.664 0.000 1.069 253 A HN 0.046 nan 8.150 nan 0.000 0.492 254 D N 0.608 120.948 120.400 -0.100 0.000 2.264 254 D HA 0.324 4.962 4.640 -0.003 0.000 0.249 254 D C -1.606 174.163 176.300 -0.886 0.000 1.070 254 D CA -1.421 52.394 54.000 -0.310 0.000 0.912 254 D CB 1.170 41.870 40.800 -0.166 0.000 1.193 254 D HN 0.126 nan 8.370 nan 0.000 0.427 255 P HA -0.139 nan 4.420 nan 0.000 0.216 255 P C 0.745 177.572 177.300 -0.787 0.000 1.153 255 P CA 1.111 63.430 63.100 -1.302 0.000 0.858 255 P CB 0.318 31.797 31.700 -0.368 0.000 0.789 256 N N -0.830 117.664 118.700 -0.342 0.000 2.573 256 N HA -0.097 4.641 4.740 -0.003 0.000 0.187 256 N C 0.806 176.276 175.510 -0.066 0.000 1.107 256 N CA 0.940 53.976 53.050 -0.023 0.000 0.918 256 N CB -0.597 37.934 38.487 0.075 0.000 0.966 256 N HN 0.223 nan 8.380 nan 0.000 0.448 257 D N -0.680 119.547 120.400 -0.288 0.000 2.360 257 D HA 0.061 4.700 4.640 -0.003 0.000 0.210 257 D C 0.240 176.245 176.300 -0.493 0.000 1.047 257 D CA -0.081 53.792 54.000 -0.211 0.000 0.854 257 D CB 0.145 40.947 40.800 0.004 0.000 0.936 257 D HN 0.207 nan 8.370 nan 0.000 0.514 258 F N 1.477 121.055 119.950 -0.620 0.000 2.506 258 F HA 0.000 4.526 4.527 -0.003 0.000 0.351 258 F C 1.780 176.922 175.800 -1.096 0.000 1.136 258 F CA -0.208 57.124 58.000 -1.113 0.000 1.298 258 F CB 0.617 38.923 39.000 -1.157 0.000 1.145 258 F HN -0.208 nan 8.300 nan 0.000 0.593 259 T N 0.171 113.997 114.554 -1.214 0.000 3.607 259 T HA 0.212 4.560 4.350 -0.003 0.000 0.225 259 T C -0.215 174.361 174.700 -0.207 0.000 0.904 259 T CA -0.389 61.298 62.100 -0.689 0.000 0.962 259 T CB -1.280 67.074 68.868 -0.857 0.000 1.221 259 T HN 0.347 nan 8.240 nan 0.000 0.641 260 Y N 0.938 121.215 120.300 -0.037 0.000 2.511 260 Y HA 0.180 4.728 4.550 -0.003 0.000 0.347 260 Y C 1.184 177.116 175.900 0.054 0.000 1.257 260 Y CA -1.215 56.933 58.100 0.079 0.000 1.469 260 Y CB 0.468 38.909 38.460 -0.031 0.000 1.353 260 Y HN 0.273 nan 8.280 nan 0.000 0.617 261 E N 1.813 122.151 120.200 0.231 0.000 2.351 261 E HA -0.011 4.337 4.350 -0.003 0.000 0.266 261 E C -0.051 176.630 176.600 0.135 0.000 1.031 261 E CA 0.042 56.519 56.400 0.129 0.000 0.911 261 E CB 0.469 30.186 29.700 0.029 0.000 0.986 261 E HN 0.382 nan 8.360 nan 0.000 0.446 262 R N 3.870 124.459 120.500 0.148 0.000 2.397 262 R HA 0.188 4.526 4.340 -0.003 0.000 0.241 262 R C -0.061 176.433 176.300 0.323 0.000 0.914 262 R CA -0.069 56.159 56.100 0.213 0.000 1.071 262 R CB 0.091 30.443 30.300 0.086 0.000 1.116 262 R HN 0.383 nan 8.270 nan 0.000 0.524 263 R N 2.080 122.673 120.500 0.156 0.000 2.248 263 R HA 0.072 4.410 4.340 -0.003 0.000 0.328 263 R C 1.265 177.372 176.300 -0.321 0.000 1.067 263 R CA -0.022 56.046 56.100 -0.054 0.000 0.924 263 R CB 0.767 31.046 30.300 -0.036 0.000 1.013 263 R HN 0.128 nan 8.270 nan 0.000 0.454 264 K N 1.651 121.586 120.400 -0.775 0.000 2.360 264 K HA -0.160 4.158 4.320 -0.003 0.000 0.201 264 K C 0.412 176.766 176.600 -0.411 0.000 1.046 264 K CA 1.307 56.921 56.287 -1.121 0.000 0.945 264 K CB 0.208 32.159 32.500 -0.915 0.000 0.750 264 K HN 0.405 nan 8.250 nan 0.000 0.464 265 E N 1.347 121.402 120.200 -0.243 0.000 2.347 265 E HA -0.007 4.341 4.350 -0.003 0.000 0.196 265 E C 0.301 176.855 176.600 -0.077 0.000 1.008 265 E CA 0.363 56.687 56.400 -0.128 0.000 0.852 265 E CB 0.302 29.945 29.700 -0.095 0.000 0.783 265 E HN 0.269 nan 8.360 nan 0.000 0.505 266 S N -0.713 114.949 115.700 -0.063 0.000 2.554 266 S HA 0.475 4.943 4.470 -0.003 0.000 0.278 266 S C 1.155 175.767 174.600 0.021 0.000 1.242 266 S CA -0.104 58.087 58.200 -0.015 0.000 1.051 266 S CB 1.345 64.530 63.200 -0.025 0.000 0.986 266 S HN 0.179 nan 8.310 nan 0.000 0.502 267 A N 3.946 126.795 122.820 0.048 0.000 2.076 267 A HA 0.092 4.410 4.320 -0.003 0.000 0.220 267 A C 1.963 179.565 177.584 0.030 0.000 1.160 267 A CA 1.733 53.812 52.037 0.071 0.000 0.653 267 A CB -0.878 18.204 19.000 0.137 0.000 0.801 267 A HN 1.183 nan 8.150 nan 0.000 0.455 268 A N -1.999 120.756 122.820 -0.108 0.000 2.275 268 A HA 0.313 4.631 4.320 -0.003 0.000 0.212 268 A C 0.660 178.184 177.584 -0.101 0.000 1.201 268 A CA -0.406 51.490 52.037 -0.235 0.000 0.843 268 A CB -0.501 18.134 19.000 -0.608 0.000 0.873 268 A HN 0.510 nan 8.150 nan 0.000 0.492 269 Y N 0.949 121.164 120.300 -0.141 0.000 2.810 269 Y HA 0.235 4.783 4.550 -0.003 0.000 0.332 269 Y C -0.264 175.548 175.900 -0.147 0.000 1.243 269 Y CA 0.013 58.042 58.100 -0.118 0.000 1.537 269 Y CB -0.039 38.373 38.460 -0.081 0.000 1.265 269 Y HN 0.225 nan 8.280 nan 0.000 0.572 270 I N 9.471 129.635 120.570 -0.675 0.000 2.447 270 I HA 0.300 4.468 4.170 -0.003 0.000 0.287 270 I C -2.322 173.228 176.117 -0.945 0.000 1.023 270 I CA -2.335 58.498 61.300 -0.779 0.000 1.083 270 I CB 1.921 39.495 38.000 -0.710 0.000 1.245 270 I HN 0.503 nan 8.210 nan 0.000 0.434 271 P HA 0.116 nan 4.420 nan 0.000 0.272 271 P C -0.491 176.661 177.300 -0.247 0.000 1.223 271 P CA -0.048 62.731 63.100 -0.536 0.000 0.784 271 P CB 0.378 31.942 31.700 -0.226 0.000 0.923 272 F N 0.624 120.566 119.950 -0.014 0.000 2.595 272 F HA 0.272 4.798 4.527 -0.003 0.000 0.359 272 F C 2.079 177.874 175.800 -0.008 0.000 1.147 272 F CA 2.066 60.069 58.000 0.006 0.000 1.341 272 F CB -0.384 38.624 39.000 0.013 0.000 1.104 272 F HN 0.691 nan 8.300 nan 0.000 0.603 273 G N 1.104 110.000 108.800 0.161 0.000 2.195 273 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.246 273 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.246 273 G C -0.108 174.819 174.900 0.045 0.000 0.984 273 G CA -0.086 45.063 45.100 0.082 0.000 0.633 273 G HN 0.592 nan 8.290 nan 0.000 0.525 274 E N -0.643 119.578 120.200 0.035 0.000 2.320 274 E HA 0.625 4.973 4.350 -0.003 0.000 0.264 274 E C 0.163 176.837 176.600 0.124 0.000 0.923 274 E CA -0.309 56.106 56.400 0.025 0.000 0.796 274 E CB 2.157 31.821 29.700 -0.060 0.000 1.262 274 E HN 1.486 nan 8.360 nan 0.000 0.428 275 G N 1.385 110.263 108.800 0.130 0.000 2.764 275 G HA2 -0.082 3.876 3.960 -0.003 0.000 0.678 275 G HA3 -0.082 3.876 3.960 -0.003 0.000 0.678 275 G C -0.600 174.465 174.900 0.275 0.000 1.341 275 G CA -0.671 44.621 45.100 0.319 0.000 0.836 275 G HN 0.521 nan 8.290 nan 0.000 0.632 276 D N 0.020 120.585 120.400 0.276 0.000 2.566 276 D HA 0.267 4.905 4.640 -0.003 0.000 0.253 276 D C 0.591 176.729 176.300 -0.271 0.000 0.992 276 D CA 1.251 55.296 54.000 0.074 0.000 0.940 276 D CB 0.424 41.462 40.800 0.396 0.000 1.095 276 D HN 0.309 nan 8.370 nan 0.000 0.480 277 F N -1.147 118.898 119.950 0.158 0.000 2.664 277 F HA 0.322 4.847 4.527 -0.003 0.000 0.317 277 F C -0.955 174.331 175.800 -0.857 0.000 1.108 277 F CA -1.317 56.488 58.000 -0.326 0.000 0.957 277 F CB 1.748 40.450 39.000 -0.498 0.000 1.365 277 F HN -0.295 nan 8.300 nan 0.000 0.475 278 Y N 1.838 121.453 120.300 -1.141 0.000 2.385 278 Y HA 0.473 5.022 4.550 -0.003 0.000 0.341 278 Y C -1.239 174.461 175.900 -0.334 0.000 0.965 278 Y CA -0.829 56.788 58.100 -0.804 0.000 1.180 278 Y CB 0.313 38.186 38.460 -0.978 0.000 1.139 278 Y HN 0.397 nan 8.280 nan 0.000 0.502 279 Y N 4.241 124.341 120.300 -0.334 0.000 2.310 279 Y HA 0.214 4.763 4.550 -0.003 0.000 0.326 279 Y C 0.222 176.050 175.900 -0.121 0.000 1.151 279 Y CA -0.631 57.418 58.100 -0.086 0.000 1.195 279 Y CB 0.711 39.226 38.460 0.091 0.000 1.210 279 Y HN 0.568 nan 8.280 nan 0.000 0.483 280 H N 1.669 120.835 119.070 0.159 0.000 2.620 280 H HA 0.347 4.901 4.556 -0.003 0.000 0.313 280 H C 0.320 175.737 175.328 0.148 0.000 1.075 280 H CA -0.274 55.844 56.048 0.117 0.000 1.397 280 H CB 1.233 31.077 29.762 0.136 0.000 1.446 280 H HN 0.981 nan 8.280 nan 0.000 0.493 281 A N 4.127 127.113 122.820 0.277 0.000 2.235 281 A HA 0.036 4.354 4.320 -0.003 0.000 0.208 281 A C 2.041 179.669 177.584 0.073 0.000 1.172 281 A CA 0.850 53.002 52.037 0.191 0.000 0.786 281 A CB -0.329 18.765 19.000 0.157 0.000 0.804 281 A HN 0.793 nan 8.150 nan 0.000 0.479 282 A N -0.515 122.090 122.820 -0.358 0.000 2.167 282 A HA 0.414 4.732 4.320 -0.003 0.000 0.214 282 A C 0.675 178.124 177.584 -0.225 0.000 1.151 282 A CA 0.603 52.358 52.037 -0.471 0.000 0.735 282 A CB -0.171 18.218 19.000 -1.019 0.000 0.802 282 A HN 0.439 nan 8.150 nan 0.000 0.467 283 I N -0.199 120.351 120.570 -0.035 0.000 2.586 283 I HA 0.466 4.634 4.170 -0.003 0.000 0.288 283 I C -1.214 175.117 176.117 0.355 0.000 1.147 283 I CA -0.685 60.682 61.300 0.112 0.000 1.047 283 I CB 2.051 40.144 38.000 0.155 0.000 1.244 283 I HN 0.295 nan 8.210 nan 0.000 0.429 284 F N 3.579 123.687 119.950 0.263 0.000 2.686 284 F HA 1.007 5.533 4.527 -0.003 0.000 0.311 284 F C -0.148 175.741 175.800 0.147 0.000 1.128 284 F CA -0.680 57.470 58.000 0.249 0.000 0.946 284 F CB 1.685 40.822 39.000 0.227 0.000 1.336 284 F HN 0.526 nan 8.300 nan 0.000 0.457 285 G N -0.811 108.054 108.800 0.107 0.000 2.561 285 G HA2 0.765 4.723 3.960 -0.003 0.000 0.310 285 G HA3 0.765 4.723 3.960 -0.003 0.000 0.310 285 G C -0.894 173.886 174.900 -0.200 0.000 1.292 285 G CA -0.259 44.597 45.100 -0.407 0.000 0.811 285 G HN 1.983 nan 8.290 nan 0.000 0.482 286 G N -1.784 106.864 108.800 -0.253 0.000 2.352 286 G HA2 0.590 4.549 3.960 -0.003 0.000 0.283 286 G HA3 0.590 4.549 3.960 -0.003 0.000 0.283 286 G C -0.002 174.942 174.900 0.073 0.000 1.308 286 G CA 0.900 45.998 45.100 -0.004 0.000 0.892 286 G HN 1.916 nan 8.290 nan 0.000 0.504 287 T N -0.653 113.932 114.554 0.052 0.000 2.856 287 T HA 0.460 4.809 4.350 -0.003 0.000 0.306 287 T C -1.243 173.397 174.700 -0.101 0.000 1.062 287 T CA -0.179 61.839 62.100 -0.137 0.000 1.083 287 T CB 1.487 70.244 68.868 -0.186 0.000 0.984 287 T HN 0.197 nan 8.240 nan 0.000 0.542 288 P HA -0.101 nan 4.420 nan 0.000 0.216 288 P C 1.694 178.930 177.300 -0.107 0.000 1.150 288 P CA 1.242 64.268 63.100 -0.123 0.000 0.843 288 P CB -0.220 31.385 31.700 -0.158 0.000 0.787 289 T N -0.766 113.728 114.554 -0.100 0.000 2.746 289 T HA -0.159 4.189 4.350 -0.003 0.000 0.267 289 T C 1.802 176.476 174.700 -0.043 0.000 1.039 289 T CA 1.184 63.241 62.100 -0.072 0.000 1.142 289 T CB -0.550 68.284 68.868 -0.058 0.000 0.866 289 T HN 0.155 nan 8.240 nan 0.000 0.444 290 Q N 0.459 120.246 119.800 -0.021 0.000 2.083 290 Q HA 0.027 4.365 4.340 -0.003 0.000 0.198 290 Q C 2.652 178.643 176.000 -0.015 0.000 0.969 290 Q CA 0.871 56.685 55.803 0.017 0.000 0.838 290 Q CB -0.800 27.978 28.738 0.066 0.000 0.900 290 Q HN 0.397 nan 8.270 nan 0.000 0.436 291 V N 1.450 121.354 119.914 -0.016 0.000 2.515 291 V HA -0.218 3.900 4.120 -0.003 0.000 0.250 291 V C 2.337 178.392 176.094 -0.065 0.000 1.058 291 V CA 1.181 63.478 62.300 -0.005 0.000 1.064 291 V CB -0.628 31.209 31.823 0.024 0.000 0.675 291 V HN 0.208 nan 8.190 nan 0.000 0.461 292 L N 0.885 122.060 121.223 -0.079 0.000 2.083 292 L HA -0.170 4.168 4.340 -0.003 0.000 0.209 292 L C 2.069 178.871 176.870 -0.113 0.000 1.083 292 L CA 2.261 57.043 54.840 -0.096 0.000 0.752 292 L CB -0.863 41.139 42.059 -0.095 0.000 0.899 292 L HN 0.374 nan 8.230 nan 0.000 0.433 293 N N -0.578 118.062 118.700 -0.100 0.000 2.216 293 N HA -0.131 4.608 4.740 -0.003 0.000 0.183 293 N C 1.801 177.127 175.510 -0.306 0.000 1.017 293 N CA 1.519 54.516 53.050 -0.088 0.000 0.861 293 N CB -0.197 38.310 38.487 0.034 0.000 0.986 293 N HN 0.444 nan 8.380 nan 0.000 0.428 294 I N -0.065 120.172 120.570 -0.554 0.000 2.163 294 I HA -0.310 3.858 4.170 -0.003 0.000 0.243 294 I C 2.221 177.883 176.117 -0.758 0.000 1.085 294 I CA 1.701 62.270 61.300 -1.218 0.000 1.347 294 I CB -0.697 36.720 38.000 -0.971 0.000 1.044 294 I HN 0.372 nan 8.210 nan 0.000 0.408 295 T N -1.936 112.384 114.554 -0.390 0.000 2.857 295 T HA -0.161 4.188 4.350 -0.003 0.000 0.266 295 T C 1.810 176.415 174.700 -0.158 0.000 1.048 295 T CA 0.888 62.844 62.100 -0.239 0.000 1.139 295 T CB -0.380 68.427 68.868 -0.100 0.000 0.874 295 T HN 0.373 nan 8.240 nan 0.000 0.455 296 Q N 0.385 120.103 119.800 -0.136 0.000 2.050 296 Q HA -0.100 4.238 4.340 -0.003 0.000 0.202 296 Q C 2.612 178.590 176.000 -0.036 0.000 0.980 296 Q CA 1.350 57.122 55.803 -0.052 0.000 0.840 296 Q CB -0.059 28.649 28.738 -0.049 0.000 0.898 296 Q HN 0.502 nan 8.270 nan 0.000 0.424 297 E N 0.028 120.178 120.200 -0.084 0.000 2.072 297 E HA -0.153 4.195 4.350 -0.003 0.000 0.191 297 E C 2.111 178.677 176.600 -0.057 0.000 0.985 297 E CA 0.763 57.152 56.400 -0.019 0.000 0.801 297 E CB -0.399 29.385 29.700 0.141 0.000 0.750 297 E HN 0.366 nan 8.360 nan 0.000 0.452 298 C N 0.466 119.676 119.300 -0.151 0.000 2.429 298 C HA -0.116 4.342 4.460 -0.003 0.000 0.277 298 C C 2.496 177.378 174.990 -0.180 0.000 1.262 298 C CA 0.335 59.260 59.018 -0.156 0.000 1.733 298 C CB -1.191 26.414 27.740 -0.224 0.000 2.010 298 C HN 0.323 nan 8.230 nan 0.000 0.483 299 F N 1.788 121.592 119.950 -0.243 0.000 2.234 299 F HA -0.056 4.469 4.527 -0.002 0.000 0.299 299 F C 2.224 177.902 175.800 -0.204 0.000 1.087 299 F CA 1.428 59.291 58.000 -0.228 0.000 1.340 299 F CB -0.447 38.453 39.000 -0.167 0.000 1.031 299 F HN 0.167 nan 8.300 nan 0.000 0.500 300 K N -0.447 119.859 120.400 -0.156 0.000 2.057 300 K HA -0.119 4.199 4.320 -0.003 0.000 0.207 300 K C 2.366 178.817 176.600 -0.249 0.000 1.049 300 K CA 1.264 57.434 56.287 -0.196 0.000 0.931 300 K CB -0.852 31.598 32.500 -0.083 0.000 0.714 300 K HN 0.399 nan 8.250 nan 0.000 0.440 301 G N 0.965 109.625 108.800 -0.234 0.000 2.403 301 G HA2 -0.195 3.764 3.960 -0.003 0.000 0.216 301 G HA3 -0.195 3.764 3.960 -0.003 0.000 0.216 301 G C 1.473 176.147 174.900 -0.377 0.000 1.154 301 G CA 0.479 45.473 45.100 -0.176 0.000 0.784 301 G HN 0.128 nan 8.290 nan 0.000 0.538 302 I N 0.382 120.500 120.570 -0.754 0.000 2.226 302 I HA -0.137 4.031 4.170 -0.003 0.000 0.245 302 I C 2.662 178.492 176.117 -0.478 0.000 1.100 302 I CA 0.779 61.686 61.300 -0.654 0.000 1.374 302 I CB -0.127 37.509 38.000 -0.607 0.000 1.057 302 I HN 0.118 nan 8.210 nan 0.000 0.413 303 L N 0.391 121.238 121.223 -0.626 0.000 2.093 303 L HA -0.208 4.130 4.340 -0.003 0.000 0.208 303 L C 2.594 179.310 176.870 -0.257 0.000 1.085 303 L CA 1.276 55.833 54.840 -0.472 0.000 0.755 303 L CB -0.562 41.187 42.059 -0.518 0.000 0.904 303 L HN 0.229 nan 8.230 nan 0.000 0.435 304 K N 0.381 120.653 120.400 -0.212 0.000 2.026 304 K HA -0.223 4.095 4.320 -0.003 0.000 0.208 304 K C 1.664 178.212 176.600 -0.085 0.000 1.048 304 K CA 1.928 58.143 56.287 -0.120 0.000 0.929 304 K CB -0.014 32.435 32.500 -0.084 0.000 0.713 304 K HN 0.138 nan 8.250 nan 0.000 0.439 305 D N 0.663 121.022 120.400 -0.068 0.000 2.123 305 D HA -0.138 4.500 4.640 -0.003 0.000 0.196 305 D C 1.706 177.972 176.300 -0.058 0.000 0.992 305 D CA 1.281 55.262 54.000 -0.031 0.000 0.833 305 D CB 0.012 40.833 40.800 0.033 0.000 0.954 305 D HN 0.262 nan 8.370 nan 0.000 0.455 306 K N 0.224 120.568 120.400 -0.093 0.000 2.103 306 K HA -0.103 4.216 4.320 -0.003 0.000 0.207 306 K C 1.871 178.427 176.600 -0.074 0.000 1.048 306 K CA 0.854 57.088 56.287 -0.088 0.000 0.930 306 K CB 0.145 32.575 32.500 -0.116 0.000 0.716 306 K HN -0.031 nan 8.250 nan 0.000 0.444 307 K N 0.609 120.961 120.400 -0.079 0.000 2.288 307 K HA -0.024 4.294 4.320 -0.003 0.000 0.201 307 K C 0.993 177.563 176.600 -0.051 0.000 1.048 307 K CA 0.840 57.090 56.287 -0.063 0.000 0.956 307 K CB -0.065 32.396 32.500 -0.065 0.000 0.746 307 K HN 0.162 nan 8.250 nan 0.000 0.461 308 N N 1.458 120.128 118.700 -0.050 0.000 2.268 308 N HA -0.059 4.680 4.740 -0.003 0.000 0.204 308 N C -0.591 174.895 175.510 -0.040 0.000 1.124 308 N CA 0.104 53.129 53.050 -0.042 0.000 0.838 308 N CB 0.272 38.734 38.487 -0.041 0.000 0.994 308 N HN 0.089 nan 8.380 nan 0.000 0.489 309 D N 0.853 121.228 120.400 -0.042 0.000 2.689 309 D HA -0.209 4.429 4.640 -0.003 0.000 0.237 309 D C -0.670 175.608 176.300 -0.037 0.000 1.148 309 D CA 0.562 54.539 54.000 -0.039 0.000 0.656 309 D CB -1.191 39.588 40.800 -0.034 0.000 1.050 309 D HN 0.473 nan 8.370 nan 0.000 0.426 310 I N -0.272 120.277 120.570 -0.036 0.000 2.769 310 I HA 0.470 4.638 4.170 -0.003 0.000 0.298 310 I C -1.110 174.993 176.117 -0.024 0.000 1.128 310 I CA -0.880 60.401 61.300 -0.032 0.000 1.031 310 I CB 1.864 39.844 38.000 -0.033 0.000 1.235 310 I HN 0.032 nan 8.210 nan 0.000 0.423 311 E N 5.790 125.974 120.200 -0.027 0.000 2.218 311 E HA 0.641 4.989 4.350 -0.003 0.000 0.263 311 E C -0.848 175.721 176.600 -0.051 0.000 0.879 311 E CA -0.841 55.553 56.400 -0.010 0.000 0.762 311 E CB 1.813 31.509 29.700 -0.007 0.000 1.166 311 E HN 0.785 nan 8.360 nan 0.000 0.415 312 A N 3.760 126.559 122.820 -0.034 0.000 2.565 312 A HA -0.085 4.233 4.320 -0.003 0.000 0.237 312 A C 1.048 178.449 177.584 -0.306 0.000 1.053 312 A CA 0.423 52.381 52.037 -0.132 0.000 0.755 312 A CB 0.528 19.420 19.000 -0.180 0.000 0.980 312 A HN 0.969 nan 8.150 nan 0.000 0.506 313 Q N 0.952 120.581 119.800 -0.285 0.000 2.135 313 Q HA -0.176 4.163 4.340 -0.003 0.000 0.204 313 Q C -0.081 175.349 176.000 -0.949 0.000 0.981 313 Q CA 1.946 57.432 55.803 -0.528 0.000 0.856 313 Q CB -0.101 28.373 28.738 -0.440 0.000 0.902 313 Q HN 0.882 nan 8.270 nan 0.000 0.425 314 Y N -0.595 119.549 120.300 -0.260 0.000 2.734 314 Y HA 0.197 4.745 4.550 -0.003 0.000 0.278 314 Y C -0.167 175.684 175.900 -0.081 0.000 1.108 314 Y CA -0.254 57.761 58.100 -0.141 0.000 1.211 314 Y CB -0.054 38.487 38.460 0.134 0.000 1.182 314 Y HN 0.227 nan 8.280 nan 0.000 0.547 315 H N -1.091 118.066 119.070 0.147 0.000 1.452 315 H HA -0.335 4.220 4.556 -0.003 0.000 0.090 315 H C 1.359 176.826 175.328 0.231 0.000 0.973 315 H CA 1.252 57.383 56.048 0.139 0.000 1.901 315 H CB -0.861 28.951 29.762 0.083 0.000 2.257 315 H HN 0.419 nan 8.280 nan 0.000 0.961 316 D N 0.918 121.514 120.400 0.328 0.000 2.218 316 D HA -0.150 4.488 4.640 -0.003 0.000 0.204 316 D C 1.714 178.118 176.300 0.174 0.000 0.976 316 D CA 1.567 55.698 54.000 0.219 0.000 0.853 316 D CB -0.469 40.385 40.800 0.090 0.000 0.939 316 D HN 0.668 nan 8.370 nan 0.000 0.481 317 E N 0.943 121.265 120.200 0.204 0.000 2.110 317 E HA -0.143 4.205 4.350 -0.003 0.000 0.193 317 E C 1.868 178.538 176.600 0.117 0.000 0.988 317 E CA 1.016 57.511 56.400 0.158 0.000 0.804 317 E CB 0.168 30.015 29.700 0.245 0.000 0.745 317 E HN 0.097 nan 8.360 nan 0.000 0.458 318 S N -0.107 115.684 115.700 0.153 0.000 2.368 318 S HA -0.155 4.313 4.470 -0.003 0.000 0.225 318 S C 1.711 176.249 174.600 -0.102 0.000 1.030 318 S CA 0.928 59.158 58.200 0.051 0.000 0.999 318 S CB -0.393 62.791 63.200 -0.028 0.000 0.844 318 S HN 0.439 nan 8.310 nan 0.000 0.459 319 H N 0.422 119.496 119.070 0.006 0.000 2.389 319 H HA 0.022 4.576 4.556 -0.003 0.000 0.299 319 H C 2.231 177.499 175.328 -0.099 0.000 1.081 319 H CA 1.228 57.247 56.048 -0.049 0.000 1.345 319 H CB -0.518 29.206 29.762 -0.063 0.000 1.393 319 H HN 0.231 nan 8.280 nan 0.000 0.520 320 L N 1.409 122.617 121.223 -0.024 0.000 2.083 320 L HA -0.129 4.209 4.340 -0.003 0.000 0.209 320 L C 1.897 178.715 176.870 -0.087 0.000 1.083 320 L CA 1.389 56.105 54.840 -0.207 0.000 0.752 320 L CB -0.572 41.337 42.059 -0.250 0.000 0.899 320 L HN 0.129 nan 8.230 nan 0.000 0.433 321 N N -0.240 118.473 118.700 0.022 0.000 2.188 321 N HA -0.218 4.521 4.740 -0.003 0.000 0.184 321 N C 1.824 177.325 175.510 -0.015 0.000 1.018 321 N CA 1.212 54.332 53.050 0.115 0.000 0.858 321 N CB -0.016 38.491 38.487 0.034 0.000 0.989 321 N HN 0.265 nan 8.380 nan 0.000 0.426 322 K N 0.904 121.239 120.400 -0.109 0.000 2.057 322 K HA -0.144 4.174 4.320 -0.003 0.000 0.207 322 K C 1.999 178.535 176.600 -0.107 0.000 1.049 322 K CA 1.012 57.210 56.287 -0.149 0.000 0.931 322 K CB -0.832 31.592 32.500 -0.128 0.000 0.714 322 K HN 0.164 nan 8.250 nan 0.000 0.440 323 Y N -0.103 120.079 120.300 -0.197 0.000 2.081 323 Y HA -0.239 4.310 4.550 -0.003 0.000 0.280 323 Y C 1.648 177.425 175.900 -0.205 0.000 1.163 323 Y CA 2.367 60.302 58.100 -0.274 0.000 1.135 323 Y CB -0.370 37.795 38.460 -0.491 0.000 0.970 323 Y HN 0.121 nan 8.280 nan 0.000 0.498 324 F N -1.408 118.537 119.950 -0.008 0.000 2.661 324 F HA -0.094 4.431 4.527 -0.003 0.000 0.298 324 F C 1.916 177.648 175.800 -0.113 0.000 1.137 324 F CA -0.102 57.836 58.000 -0.103 0.000 1.454 324 F CB 0.023 38.902 39.000 -0.202 0.000 1.103 324 F HN 0.191 nan 8.300 nan 0.000 0.577 325 L N 0.191 121.441 121.223 0.045 0.000 2.072 325 L HA -0.124 4.214 4.340 -0.003 0.000 0.205 325 L C 1.904 178.664 176.870 -0.183 0.000 1.079 325 L CA 1.791 56.593 54.840 -0.064 0.000 0.752 325 L CB -0.594 41.382 42.059 -0.138 0.000 0.906 325 L HN 0.083 nan 8.230 nan 0.000 0.436 326 L N -0.484 120.594 121.223 -0.242 0.000 2.072 326 L HA -0.068 4.270 4.340 -0.003 0.000 0.205 326 L C 0.346 177.011 176.870 -0.342 0.000 1.079 326 L CA 0.708 55.377 54.840 -0.284 0.000 0.752 326 L CB -0.340 41.533 42.059 -0.309 0.000 0.906 326 L HN 0.317 nan 8.230 nan 0.000 0.436 327 N N 1.193 119.616 118.700 -0.462 0.000 2.706 327 N HA 0.151 4.889 4.740 -0.003 0.000 0.240 327 N C -0.900 174.480 175.510 -0.217 0.000 1.039 327 N CA -0.318 52.491 53.050 -0.403 0.000 0.888 327 N CB 1.125 39.199 38.487 -0.690 0.000 1.128 327 N HN 0.041 nan 8.380 nan 0.000 0.512 328 K N 1.925 122.127 120.400 -0.330 0.000 2.448 328 K HA 0.165 4.483 4.320 -0.003 0.000 0.278 328 K C -2.100 174.431 176.600 -0.115 0.000 1.009 328 K CA -1.192 54.809 56.287 -0.476 0.000 0.995 328 K CB 0.252 31.895 32.500 -1.428 0.000 0.917 328 K HN 0.311 nan 8.250 nan 0.000 0.481 329 P HA -0.009 nan 4.420 nan 0.000 0.268 329 P C 0.622 178.044 177.300 0.203 0.000 1.205 329 P CA 0.010 63.079 63.100 -0.051 0.000 0.771 329 P CB 0.350 31.733 31.700 -0.529 0.000 0.858 330 T N -0.879 113.761 114.554 0.142 0.000 3.113 330 T HA 0.057 4.405 4.350 -0.003 0.000 0.256 330 T C 0.516 175.272 174.700 0.093 0.000 1.131 330 T CA 0.518 62.722 62.100 0.173 0.000 1.074 330 T CB 0.003 68.953 68.868 0.136 0.000 0.944 330 T HN 0.464 nan 8.240 nan 0.000 0.516 331 K N 0.206 120.619 120.400 0.021 0.000 2.542 331 K HA 0.619 4.937 4.320 -0.003 0.000 0.259 331 K C -1.986 174.547 176.600 -0.113 0.000 0.932 331 K CA -0.962 55.294 56.287 -0.053 0.000 0.820 331 K CB 1.874 34.337 32.500 -0.062 0.000 1.345 331 K HN 0.174 nan 8.250 nan 0.000 0.432 332 I N 4.694 125.177 120.570 -0.145 0.000 2.569 332 I HA 0.356 4.524 4.170 -0.003 0.000 0.296 332 I C -0.563 175.421 176.117 -0.222 0.000 1.028 332 I CA -1.095 60.099 61.300 -0.177 0.000 1.082 332 I CB 1.788 39.671 38.000 -0.195 0.000 1.264 332 I HN 0.407 nan 8.210 nan 0.000 0.429 333 L N 4.424 125.510 121.223 -0.228 0.000 2.307 333 L HA 0.388 4.726 4.340 -0.003 0.000 0.282 333 L C 0.743 177.427 176.870 -0.309 0.000 1.051 333 L CA -0.499 54.135 54.840 -0.343 0.000 0.804 333 L CB 1.505 43.313 42.059 -0.417 0.000 1.197 333 L HN 0.722 nan 8.230 nan 0.000 0.431 334 S N 2.742 118.148 115.700 -0.489 0.000 2.587 334 S HA 0.160 4.629 4.470 -0.003 0.000 0.260 334 S C -1.811 172.515 174.600 -0.456 0.000 1.353 334 S CA -0.840 56.803 58.200 -0.928 0.000 0.995 334 S CB 0.586 62.638 63.200 -1.914 0.000 0.912 334 S HN 0.478 nan 8.310 nan 0.000 0.568 335 P HA 0.009 nan 4.420 nan 0.000 0.228 335 P C 0.769 178.055 177.300 -0.023 0.000 1.151 335 P CA 0.887 63.935 63.100 -0.087 0.000 0.770 335 P CB -0.117 31.564 31.700 -0.031 0.000 0.786 336 E N -1.454 118.575 120.200 -0.285 0.000 2.209 336 E HA -0.196 4.152 4.350 -0.003 0.000 0.196 336 E C 0.989 177.426 176.600 -0.272 0.000 0.993 336 E CA 1.057 57.274 56.400 -0.305 0.000 0.819 336 E CB -0.546 28.931 29.700 -0.371 0.000 0.745 336 E HN 0.435 nan 8.360 nan 0.000 0.477 337 Y N -1.384 118.842 120.300 -0.123 0.000 2.490 337 Y HA 0.102 4.651 4.550 -0.003 0.000 0.281 337 Y C 0.567 176.543 175.900 0.126 0.000 1.174 337 Y CA -0.067 57.993 58.100 -0.067 0.000 1.295 337 Y CB 0.790 39.099 38.460 -0.252 0.000 1.062 337 Y HN -0.005 nan 8.280 nan 0.000 0.522 338 C N 1.342 120.811 119.300 0.281 0.000 3.238 338 C HA 0.164 4.623 4.460 -0.003 0.000 0.308 338 C C -0.940 174.330 174.990 0.465 0.000 0.971 338 C CA -1.093 58.150 59.018 0.376 0.000 1.207 338 C CB -1.126 26.855 27.740 0.401 0.000 1.696 338 C HN 0.532 nan 8.230 nan 0.000 0.609 339 W N 3.908 125.222 121.300 0.024 0.000 2.551 339 W HA 0.482 5.140 4.660 -0.003 0.000 0.330 339 W C -0.954 175.205 176.519 -0.598 0.000 1.063 339 W CA -0.045 57.133 57.345 -0.277 0.000 1.222 339 W CB 1.372 30.594 29.460 -0.396 0.000 1.349 339 W HN 0.601 nan 8.180 nan 0.000 0.536 340 D N 4.139 123.300 120.400 -2.064 0.000 2.412 340 D HA 0.104 4.743 4.640 -0.003 0.000 0.224 340 D C 0.298 175.843 176.300 -1.258 0.000 1.093 340 D CA -0.268 52.658 54.000 -1.790 0.000 0.850 340 D CB 0.308 39.817 40.800 -2.152 0.000 1.046 340 D HN 0.362 nan 8.370 nan 0.000 0.507 341 Y N 1.698 121.730 120.300 -0.445 0.000 2.574 341 Y HA -0.147 4.401 4.550 -0.003 0.000 0.294 341 Y C 1.927 177.802 175.900 -0.042 0.000 1.142 341 Y CA 0.415 58.481 58.100 -0.055 0.000 1.314 341 Y CB 0.004 38.523 38.460 0.099 0.000 0.991 341 Y HN 0.611 nan 8.280 nan 0.000 0.555 342 H N 0.288 119.307 119.070 -0.084 0.000 2.457 342 H HA -0.176 4.378 4.556 -0.003 0.000 0.297 342 H C 1.793 177.065 175.328 -0.094 0.000 1.092 342 H CA 1.754 57.759 56.048 -0.072 0.000 1.309 342 H CB -0.275 29.429 29.762 -0.096 0.000 1.382 342 H HN 0.349 nan 8.280 nan 0.000 0.535 343 I N -0.603 119.874 120.570 -0.155 0.000 2.676 343 I HA 0.013 4.182 4.170 -0.003 0.000 0.259 343 I C 1.608 177.764 176.117 0.064 0.000 1.194 343 I CA 0.580 61.813 61.300 -0.112 0.000 1.473 343 I CB -0.301 37.597 38.000 -0.170 0.000 1.096 343 I HN 0.563 nan 8.210 nan 0.000 0.443 344 G N 1.185 110.090 108.800 0.174 0.000 2.482 344 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.214 344 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.214 344 G C -1.024 174.173 174.900 0.495 0.000 1.271 344 G CA -0.426 44.828 45.100 0.256 0.000 0.944 344 G HN 0.060 nan 8.290 nan 0.000 0.568 345 L N 2.338 123.750 121.223 0.315 0.000 2.514 345 L HA 0.614 4.952 4.340 -0.003 0.000 0.257 345 L C -1.833 175.083 176.870 0.077 0.000 1.101 345 L CA -1.207 53.758 54.840 0.207 0.000 0.911 345 L CB 1.083 43.264 42.059 0.204 0.000 1.162 345 L HN 0.703 nan 8.230 nan 0.000 0.477 346 P HA 0.391 nan 4.420 nan 0.000 0.279 346 P C 0.564 177.852 177.300 -0.020 0.000 1.276 346 P CA -0.342 62.786 63.100 0.047 0.000 0.801 346 P CB 0.993 32.767 31.700 0.123 0.000 1.127 347 A N 0.336 123.157 122.820 0.001 0.000 1.978 347 A HA -0.180 4.138 4.320 -0.003 0.000 0.220 347 A C 1.609 179.167 177.584 -0.043 0.000 1.170 347 A CA 1.799 53.822 52.037 -0.023 0.000 0.636 347 A CB -1.109 17.881 19.000 -0.015 0.000 0.810 347 A HN 0.518 nan 8.150 nan 0.000 0.448 348 D N -0.314 120.074 120.400 -0.019 0.000 2.310 348 D HA -0.016 4.622 4.640 -0.003 0.000 0.212 348 D C 0.244 176.537 176.300 -0.011 0.000 0.965 348 D CA 0.552 54.534 54.000 -0.030 0.000 0.879 348 D CB -0.045 40.807 40.800 0.088 0.000 0.921 348 D HN 0.263 nan 8.370 nan 0.000 0.510 349 I N 1.839 122.313 120.570 -0.160 0.000 2.276 349 I HA 0.067 4.235 4.170 -0.003 0.000 0.290 349 I C 1.314 177.308 176.117 -0.205 0.000 1.109 349 I CA -0.236 60.870 61.300 -0.324 0.000 1.229 349 I CB 0.986 38.445 38.000 -0.901 0.000 1.452 349 I HN -0.260 nan 8.210 nan 0.000 0.497 350 K N 3.816 124.162 120.400 -0.090 0.000 2.166 350 K HA 0.161 4.479 4.320 -0.003 0.000 0.201 350 K C 0.248 176.811 176.600 -0.062 0.000 1.052 350 K CA 0.639 56.892 56.287 -0.057 0.000 0.969 350 K CB 0.496 32.990 32.500 -0.011 0.000 0.761 350 K HN 0.345 nan 8.250 nan 0.000 0.459 351 L N 0.786 121.958 121.223 -0.086 0.000 2.555 351 L HA 0.266 4.604 4.340 -0.003 0.000 0.264 351 L C -1.345 175.436 176.870 -0.148 0.000 0.972 351 L CA -0.527 54.266 54.840 -0.079 0.000 0.876 351 L CB 1.876 43.912 42.059 -0.039 0.000 1.216 351 L HN -0.286 nan 8.230 nan 0.000 0.415 352 V N 5.944 125.790 119.914 -0.113 0.000 2.508 352 V HA 0.228 4.346 4.120 -0.003 0.000 0.281 352 V C 0.860 176.886 176.094 -0.113 0.000 1.041 352 V CA -0.074 62.146 62.300 -0.134 0.000 1.016 352 V CB 1.101 32.895 31.823 -0.047 0.000 0.984 352 V HN 0.789 nan 8.190 nan 0.000 0.478 353 K N 3.538 123.829 120.400 -0.183 0.000 2.334 353 K HA 0.367 4.686 4.320 -0.003 0.000 0.195 353 K C 0.092 176.744 176.600 0.087 0.000 1.045 353 K CA 0.345 56.577 56.287 -0.091 0.000 1.004 353 K CB 0.381 32.719 32.500 -0.270 0.000 0.837 353 K HN 0.636 nan 8.250 nan 0.000 0.510 354 M N 0.035 119.672 119.600 0.062 0.000 2.413 354 M HA 0.287 4.766 4.480 -0.003 0.000 0.287 354 M C -1.821 174.536 176.300 0.096 0.000 1.186 354 M CA -0.373 54.949 55.300 0.037 0.000 0.927 354 M CB 2.208 34.788 32.600 -0.033 0.000 1.715 354 M HN 0.012 nan 8.290 nan 0.000 0.478 355 S N 2.137 117.908 115.700 0.118 0.000 2.568 355 S HA 0.809 5.277 4.470 -0.003 0.000 0.293 355 S C -1.504 173.268 174.600 0.286 0.000 1.089 355 S CA -0.772 57.525 58.200 0.161 0.000 0.945 355 S CB 0.843 64.142 63.200 0.165 0.000 1.077 355 S HN 0.692 nan 8.310 nan 0.000 0.485 356 W N 1.918 123.199 121.300 -0.031 0.000 2.181 356 W HA 0.320 4.978 4.660 -0.003 0.000 0.335 356 W C 0.859 177.382 176.519 0.007 0.000 1.310 356 W CA -0.812 56.517 57.345 -0.026 0.000 1.226 356 W CB -0.094 29.339 29.460 -0.046 0.000 1.155 356 W HN 0.574 nan 8.180 nan 0.000 0.565 357 Q N 1.446 121.348 119.800 0.170 0.000 2.340 357 Q HA 0.140 4.478 4.340 -0.003 0.000 0.249 357 Q C 0.278 176.358 176.000 0.133 0.000 0.957 357 Q CA 0.030 55.910 55.803 0.130 0.000 0.882 357 Q CB 0.572 29.318 28.738 0.013 0.000 1.235 357 Q HN 0.335 nan 8.270 nan 0.000 0.439 358 T N 3.337 117.976 114.554 0.141 0.000 2.946 358 T HA 0.032 4.381 4.350 -0.003 0.000 0.311 358 T C 0.396 175.095 174.700 -0.000 0.000 1.063 358 T CA -0.191 61.953 62.100 0.075 0.000 1.139 358 T CB 0.353 69.261 68.868 0.067 0.000 0.994 358 T HN 0.117 nan 8.240 nan 0.000 0.547 359 K N 3.094 123.412 120.400 -0.137 0.000 2.295 359 K HA 0.199 4.518 4.320 -0.003 0.000 0.270 359 K C 0.496 176.893 176.600 -0.339 0.000 1.011 359 K CA -0.016 56.034 56.287 -0.395 0.000 0.953 359 K CB 0.630 32.627 32.500 -0.840 0.000 0.956 359 K HN 0.681 nan 8.250 nan 0.000 0.477 360 E N 1.662 121.663 120.200 -0.332 0.000 3.729 360 E HA 0.087 4.435 4.350 -0.003 0.000 0.195 360 E C 0.228 176.738 176.600 -0.150 0.000 1.005 360 E CA -0.044 56.240 56.400 -0.192 0.000 1.356 360 E CB 0.168 29.782 29.700 -0.143 0.000 1.138 360 E HN 0.521 nan 8.360 nan 0.000 0.450 361 Y N 0.330 120.546 120.300 -0.141 0.000 2.256 361 Y HA -0.285 4.263 4.550 -0.003 0.000 0.288 361 Y C 2.454 178.271 175.900 -0.139 0.000 1.155 361 Y CA 0.990 58.981 58.100 -0.181 0.000 1.203 361 Y CB -0.085 38.265 38.460 -0.183 0.000 0.980 361 Y HN 0.273 nan 8.280 nan 0.000 0.530 362 N N 0.289 119.021 118.700 0.053 0.000 2.205 362 N HA -0.154 4.584 4.740 -0.003 0.000 0.186 362 N C 1.323 176.827 175.510 -0.010 0.000 1.015 362 N CA 1.388 54.453 53.050 0.025 0.000 0.862 362 N CB -0.199 38.299 38.487 0.019 0.000 0.986 362 N HN 0.080 nan 8.380 nan 0.000 0.429 363 V N -0.510 119.362 119.914 -0.071 0.000 2.581 363 V HA -0.022 4.097 4.120 -0.003 0.000 0.240 363 V C 2.042 178.040 176.094 -0.159 0.000 1.054 363 V CA 1.181 63.412 62.300 -0.115 0.000 1.076 363 V CB 0.122 31.837 31.823 -0.181 0.000 0.748 363 V HN 0.403 nan 8.190 nan 0.000 0.474 364 V N -1.701 118.063 119.914 -0.250 0.000 3.406 364 V HA 0.249 4.367 4.120 -0.003 0.000 0.263 364 V C 0.989 177.112 176.094 0.049 0.000 1.172 364 V CA 0.358 62.515 62.300 -0.237 0.000 1.140 364 V CB -0.629 30.791 31.823 -0.671 0.000 0.784 364 V HN 0.367 nan 8.190 nan 0.000 0.467 365 R N 1.117 121.633 120.500 0.028 0.000 2.732 365 R HA 0.551 4.889 4.340 -0.003 0.000 0.278 365 R C -0.279 176.069 176.300 0.081 0.000 0.976 365 R CA -0.345 55.788 56.100 0.054 0.000 0.963 365 R CB 0.965 31.125 30.300 -0.234 0.000 1.150 365 R HN 0.207 nan 8.270 nan 0.000 0.478 366 N N 1.293 120.078 118.700 0.142 0.000 2.197 366 N HA 0.034 4.772 4.740 -0.003 0.000 0.228 366 N C -0.951 174.639 175.510 0.135 0.000 1.212 366 N CA -0.063 53.056 53.050 0.115 0.000 0.883 366 N CB 0.456 39.000 38.487 0.096 0.000 1.107 366 N HN 0.636 nan 8.380 nan 0.000 0.519 367 N N -1.168 117.661 118.700 0.215 0.000 2.647 367 N HA 0.262 5.000 4.740 -0.003 0.000 0.266 367 N C -0.586 175.101 175.510 0.295 0.000 1.373 367 N CA -0.454 52.716 53.050 0.200 0.000 0.807 367 N CB 1.588 40.160 38.487 0.141 0.000 1.513 367 N HN -0.376 nan 8.380 nan 0.000 0.505 368 V N 0.000 120.041 119.914 0.211 0.000 2.409 368 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 368 V CA 0.000 62.448 62.300 0.246 0.000 1.235 368 V CB 0.000 31.907 31.823 0.139 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556