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 1a87_1_A DATA FIRST_RESID 91 DATA SEQUENCE SAKVGEITIT PDNSKPGRYI SSNPEYSLLA KLIDAESIKG TEVYTFHTRK DATA SEQUENCE GQYVKVTVPD SNIDKMRVDY VNWKGPKYNN KLVKRFVSQF LLFRKEEKEK DATA SEQUENCE NEKEALLKAS ELVSGMGDKL GEYLGVKYKN VAKEVANDIK NFHGRNIRSY DATA SEQUENCE NEAMASLNKV LANPKMKVNK SDKDAIVNAW KQVNAKDMAN KIGNLGKAFK DATA SEQUENCE VADLAIKVEK IREKSIEGYN TGNWGPLLLE VESWIIGGVV AGVAISLFGA DATA SEQUENCE VLSFLPISGL AVTALGVIGI MTISYLSSFI DANRVSNINN IISSVIR 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 91 S HA 0.000 nan 4.470 nan 0.000 0.327 91 S C 0.000 174.697 174.600 0.162 0.000 1.055 91 S CA 0.000 58.305 58.200 0.176 0.000 1.107 91 S CB 0.000 63.270 63.200 0.117 0.000 0.593 92 A N 1.826 124.788 122.820 0.235 0.000 2.240 92 A HA 0.753 5.073 4.320 0.000 0.000 0.292 92 A C 0.111 177.749 177.584 0.091 0.000 1.121 92 A CA -0.447 51.706 52.037 0.193 0.000 0.851 92 A CB 0.659 19.855 19.000 0.326 0.000 1.167 92 A HN 0.267 nan 8.150 nan 0.000 0.503 93 K N 0.565 121.009 120.400 0.074 0.000 2.265 93 K HA 0.493 4.813 4.320 0.000 0.000 0.267 93 K C -1.522 175.083 176.600 0.010 0.000 0.994 93 K CA -0.310 55.993 56.287 0.027 0.000 0.860 93 K CB 1.287 33.803 32.500 0.026 0.000 1.099 93 K HN 0.374 nan 8.250 nan 0.000 0.448 94 V N 4.356 124.253 119.914 -0.028 0.000 2.240 94 V HA 0.228 4.348 4.120 0.000 0.000 0.265 94 V C 1.086 177.176 176.094 -0.007 0.000 1.073 94 V CA 0.209 62.489 62.300 -0.034 0.000 0.857 94 V CB -0.128 31.640 31.823 -0.091 0.000 1.114 94 V HN 1.201 nan 8.190 nan 0.000 0.469 95 G N 4.014 112.802 108.800 -0.020 0.000 3.879 95 G HA2 -0.301 3.659 3.960 0.000 0.000 0.318 95 G HA3 -0.301 3.659 3.960 0.000 0.000 0.318 95 G C 0.868 175.721 174.900 -0.078 0.000 1.344 95 G CA 0.640 45.714 45.100 -0.042 0.000 1.024 95 G HN 0.503 nan 8.290 nan 0.000 0.681 96 E N 0.960 121.076 120.200 -0.139 0.000 2.307 96 E HA 0.255 4.606 4.350 0.000 0.000 0.195 96 E C 1.758 178.284 176.600 -0.124 0.000 0.975 96 E CA 0.985 57.242 56.400 -0.239 0.000 0.878 96 E CB 0.301 29.616 29.700 -0.641 0.000 0.845 96 E HN 0.808 nan 8.360 nan 0.000 0.488 97 I N -2.469 118.081 120.570 -0.033 0.000 3.573 97 I HA 0.472 4.642 4.170 0.000 0.000 0.285 97 I C -0.010 176.122 176.117 0.024 0.000 1.203 97 I CA -0.840 60.483 61.300 0.039 0.000 1.033 97 I CB 1.807 39.868 38.000 0.102 0.000 1.348 97 I HN -0.410 nan 8.210 nan 0.000 0.525 98 T N 2.835 117.407 114.554 0.029 0.000 2.847 98 T HA 0.538 4.889 4.350 0.000 0.000 0.291 98 T C -0.591 174.113 174.700 0.006 0.000 0.998 98 T CA -0.175 61.935 62.100 0.017 0.000 0.967 98 T CB 0.764 69.651 68.868 0.032 0.000 0.954 98 T HN 0.228 nan 8.240 nan 0.000 0.441 99 I N 3.479 124.020 120.570 -0.048 0.000 2.396 99 I HA 0.449 4.619 4.170 0.000 0.000 0.292 99 I C 0.716 176.884 176.117 0.084 0.000 0.999 99 I CA -0.485 60.784 61.300 -0.052 0.000 1.310 99 I CB 1.356 39.170 38.000 -0.310 0.000 1.404 99 I HN 0.538 nan 8.210 nan 0.000 0.496 100 T N 7.689 122.343 114.554 0.166 0.000 2.881 100 T HA 0.437 4.787 4.350 0.000 0.000 0.290 100 T C -2.661 172.164 174.700 0.208 0.000 1.000 100 T CA -1.262 60.952 62.100 0.190 0.000 0.978 100 T CB 2.199 71.131 68.868 0.106 0.000 0.997 100 T HN 0.209 nan 8.240 nan 0.000 0.443 101 P HA 0.206 nan 4.420 nan 0.000 0.282 101 P C -0.588 176.650 177.300 -0.103 0.000 1.262 101 P CA -0.426 62.616 63.100 -0.095 0.000 0.773 101 P CB 0.395 32.063 31.700 -0.055 0.000 0.879 102 D N 2.695 122.991 120.400 -0.172 0.000 2.346 102 D HA -0.029 4.611 4.640 0.000 0.000 0.267 102 D C 1.155 177.404 176.300 -0.084 0.000 1.320 102 D CA 0.229 54.174 54.000 -0.093 0.000 0.951 102 D CB -0.199 40.552 40.800 -0.081 0.000 1.079 102 D HN 0.300 nan 8.370 nan 0.000 0.509 103 N N 1.537 120.210 118.700 -0.045 0.000 2.060 103 N HA -0.332 4.408 4.740 0.000 0.000 0.195 103 N C 1.518 177.009 175.510 -0.030 0.000 1.028 103 N CA 1.747 54.779 53.050 -0.030 0.000 0.861 103 N CB -0.282 38.200 38.487 -0.009 0.000 1.029 103 N HN 0.333 nan 8.380 nan 0.000 0.428 104 S N -0.509 115.174 115.700 -0.028 0.000 2.419 104 S HA -0.154 4.316 4.470 0.000 0.000 0.233 104 S C 0.808 175.390 174.600 -0.030 0.000 1.016 104 S CA 0.809 58.994 58.200 -0.024 0.000 0.974 104 S CB -0.215 62.973 63.200 -0.020 0.000 0.786 104 S HN 0.515 nan 8.310 nan 0.000 0.492 105 K N 1.899 122.271 120.400 -0.046 0.000 2.637 105 K HA 0.420 4.740 4.320 0.000 0.000 0.248 105 K C -3.425 173.132 176.600 -0.072 0.000 0.971 105 K CA -2.217 54.042 56.287 -0.047 0.000 0.858 105 K CB 1.683 34.162 32.500 -0.036 0.000 1.170 105 K HN -0.079 nan 8.250 nan 0.000 0.443 106 P HA 0.119 nan 4.420 nan 0.000 0.268 106 P C 0.419 177.687 177.300 -0.054 0.000 1.204 106 P CA 0.749 63.806 63.100 -0.073 0.000 0.768 106 P CB 1.015 32.687 31.700 -0.047 0.000 0.842 107 G N 1.818 110.574 108.800 -0.074 0.000 2.141 107 G HA2 -0.223 3.737 3.960 0.000 0.000 0.231 107 G HA3 -0.223 3.737 3.960 0.000 0.000 0.231 107 G C 0.047 174.989 174.900 0.070 0.000 0.984 107 G CA 0.116 45.246 45.100 0.050 0.000 0.660 107 G HN 0.831 nan 8.290 nan 0.000 0.525 108 R N -0.845 119.559 120.500 -0.160 0.000 2.621 108 R HA 0.782 5.122 4.340 0.000 0.000 0.292 108 R C -1.036 175.069 176.300 -0.325 0.000 0.969 108 R CA -0.929 55.129 56.100 -0.071 0.000 0.887 108 R CB 1.061 31.353 30.300 -0.013 0.000 1.180 108 R HN 0.156 nan 8.270 nan 0.000 0.450 109 Y N 3.006 123.349 120.300 0.072 0.000 2.570 109 Y HA 0.559 5.109 4.550 0.000 0.000 0.345 109 Y C -0.140 175.760 175.900 0.001 0.000 1.014 109 Y CA -1.230 56.907 58.100 0.062 0.000 1.063 109 Y CB 1.982 40.504 38.460 0.105 0.000 1.272 109 Y HN 0.354 nan 8.280 nan 0.000 0.477 110 I N 1.196 121.866 120.570 0.167 0.000 2.406 110 I HA 0.335 4.505 4.170 0.000 0.000 0.290 110 I C -0.289 175.858 176.117 0.050 0.000 0.999 110 I CA -0.754 60.592 61.300 0.077 0.000 1.124 110 I CB 1.844 39.876 38.000 0.054 0.000 1.289 110 I HN 0.495 nan 8.210 nan 0.000 0.441 111 S N 3.154 118.858 115.700 0.007 0.000 2.489 111 S HA 0.179 4.649 4.470 0.000 0.000 0.277 111 S C 1.297 175.901 174.600 0.006 0.000 1.230 111 S CA -0.422 57.768 58.200 -0.017 0.000 1.053 111 S CB 1.007 64.163 63.200 -0.073 0.000 0.955 111 S HN 0.748 nan 8.310 nan 0.000 0.488 112 S N 4.086 119.799 115.700 0.021 0.000 2.382 112 S HA -0.064 4.406 4.470 0.000 0.000 0.228 112 S C 0.689 175.307 174.600 0.030 0.000 1.027 112 S CA 0.748 58.966 58.200 0.030 0.000 0.991 112 S CB -0.434 62.790 63.200 0.040 0.000 0.823 112 S HN 0.743 nan 8.310 nan 0.000 0.469 113 N N 1.275 119.998 118.700 0.039 0.000 2.607 113 N HA 0.383 5.123 4.740 0.000 0.000 0.271 113 N C -2.762 172.737 175.510 -0.018 0.000 1.142 113 N CA -2.301 50.767 53.050 0.030 0.000 0.810 113 N CB 1.585 40.136 38.487 0.107 0.000 1.306 113 N HN -0.164 nan 8.380 nan 0.000 0.536 114 P HA -0.191 nan 4.420 nan 0.000 0.219 114 P C 0.912 178.114 177.300 -0.163 0.000 1.144 114 P CA 0.975 64.021 63.100 -0.090 0.000 0.806 114 P CB 0.391 32.061 31.700 -0.049 0.000 0.771 115 E N -0.848 119.210 120.200 -0.237 0.000 2.209 115 E HA -0.205 4.145 4.350 0.000 0.000 0.196 115 E C 0.658 176.935 176.600 -0.539 0.000 0.993 115 E CA 1.055 57.198 56.400 -0.429 0.000 0.819 115 E CB -0.216 29.128 29.700 -0.593 0.000 0.745 115 E HN 0.315 nan 8.360 nan 0.000 0.477 116 Y N -0.508 119.708 120.300 -0.140 0.000 2.467 116 Y HA 0.175 4.725 4.550 0.000 0.000 0.250 116 Y C 1.024 176.721 175.900 -0.338 0.000 1.155 116 Y CA 0.224 58.233 58.100 -0.152 0.000 1.249 116 Y CB 0.971 39.400 38.460 -0.052 0.000 1.146 116 Y HN 0.019 nan 8.280 nan 0.000 0.524 117 S N -0.363 115.138 115.700 -0.333 0.000 2.449 117 S HA 0.352 4.822 4.470 0.000 0.000 0.237 117 S C 0.018 174.389 174.600 -0.382 0.000 1.214 117 S CA -0.447 57.331 58.200 -0.704 0.000 1.226 117 S CB -0.780 62.038 63.200 -0.636 0.000 0.904 117 S HN 0.253 nan 8.310 nan 0.000 0.490 118 L N 0.508 121.510 121.223 -0.368 0.000 3.717 118 L HA -0.222 4.118 4.340 0.000 0.000 0.414 118 L C 0.624 177.464 176.870 -0.050 0.000 1.228 118 L CA 0.680 55.348 54.840 -0.287 0.000 0.918 118 L CB -2.236 39.648 42.059 -0.292 0.000 1.865 118 L HN 0.709 nan 8.230 nan 0.000 0.922 119 L N -3.270 117.889 121.223 -0.108 0.000 3.865 119 L HA -0.225 4.116 4.340 0.000 0.000 0.408 119 L C 0.611 177.537 176.870 0.094 0.000 1.209 119 L CA 0.822 55.662 54.840 0.001 0.000 0.940 119 L CB -1.895 40.209 42.059 0.076 0.000 1.971 119 L HN 0.699 nan 8.230 nan 0.000 0.899 120 A N -0.236 122.629 122.820 0.075 0.000 2.356 120 A HA 0.610 4.931 4.320 0.000 0.000 0.310 120 A C 0.587 178.202 177.584 0.051 0.000 1.075 120 A CA -0.177 51.938 52.037 0.130 0.000 0.746 120 A CB 1.853 21.008 19.000 0.257 0.000 1.221 120 A HN 0.226 nan 8.150 nan 0.000 0.443 121 K N 2.351 122.787 120.400 0.060 0.000 2.137 121 K HA 0.236 4.556 4.320 0.000 0.000 0.202 121 K C 0.008 176.630 176.600 0.037 0.000 1.052 121 K CA 0.918 57.223 56.287 0.030 0.000 0.961 121 K CB -0.021 32.498 32.500 0.032 0.000 0.741 121 K HN 0.665 nan 8.250 nan 0.000 0.452 122 L N 2.751 124.026 121.223 0.086 0.000 2.309 122 L HA 0.456 4.796 4.340 0.000 0.000 0.282 122 L C -0.428 176.505 176.870 0.104 0.000 1.036 122 L CA -0.816 54.095 54.840 0.118 0.000 0.806 122 L CB 1.623 43.777 42.059 0.159 0.000 1.220 122 L HN 0.124 nan 8.230 nan 0.000 0.429 123 I N 1.828 122.419 120.570 0.036 0.000 2.582 123 I HA 0.378 4.548 4.170 0.000 0.000 0.292 123 I C -1.267 174.895 176.117 0.075 0.000 1.066 123 I CA -0.705 60.509 61.300 -0.143 0.000 1.053 123 I CB 2.712 40.415 38.000 -0.495 0.000 1.241 123 I HN 0.421 nan 8.210 nan 0.000 0.421 124 D N 4.664 125.076 120.400 0.020 0.000 2.425 124 D HA 0.602 5.242 4.640 0.000 0.000 0.240 124 D C -0.490 175.938 176.300 0.214 0.000 1.080 124 D CA -0.056 54.036 54.000 0.154 0.000 0.836 124 D CB 2.413 43.292 40.800 0.132 0.000 1.125 124 D HN 0.657 nan 8.370 nan 0.000 0.525 125 A N 2.560 125.603 122.820 0.371 0.000 2.320 125 A HA 0.733 5.053 4.320 0.000 0.000 0.334 125 A C -0.148 177.604 177.584 0.280 0.000 1.147 125 A CA -0.472 51.840 52.037 0.458 0.000 0.820 125 A CB 1.500 20.844 19.000 0.574 0.000 1.218 125 A HN 0.513 nan 8.150 nan 0.000 0.482 126 E N -0.344 119.982 120.200 0.210 0.000 2.390 126 E HA 0.572 4.923 4.350 0.000 0.000 0.277 126 E C -1.583 175.045 176.600 0.047 0.000 0.939 126 E CA -0.508 55.951 56.400 0.098 0.000 0.769 126 E CB 2.219 31.950 29.700 0.051 0.000 1.251 126 E HN 0.643 nan 8.360 nan 0.000 0.450 127 S N 2.163 117.882 115.700 0.031 0.000 2.620 127 S HA 0.475 4.945 4.470 0.000 0.000 0.244 127 S C -0.955 173.647 174.600 0.004 0.000 1.192 127 S CA -0.679 57.524 58.200 0.005 0.000 1.148 127 S CB 0.172 63.377 63.200 0.008 0.000 1.106 127 S HN 0.270 nan 8.310 nan 0.000 0.474 128 I N 2.690 123.257 120.570 -0.005 0.000 2.354 128 I HA 0.460 4.631 4.170 0.000 0.000 0.292 128 I C 0.750 176.864 176.117 -0.005 0.000 0.989 128 I CA -0.381 60.920 61.300 0.001 0.000 1.188 128 I CB 1.026 39.027 38.000 0.001 0.000 1.342 128 I HN 0.678 nan 8.210 nan 0.000 0.457 129 K N 4.860 125.260 120.400 0.001 0.000 3.035 129 K HA -0.250 4.070 4.320 0.000 0.000 0.262 129 K C 0.977 177.573 176.600 -0.007 0.000 1.024 129 K CA 0.728 57.014 56.287 -0.001 0.000 0.748 129 K CB -1.610 30.888 32.500 -0.003 0.000 1.247 129 K HN 1.231 nan 8.250 nan 0.000 0.482 130 G N -0.984 107.811 108.800 -0.009 0.000 2.179 130 G HA2 -0.294 3.666 3.960 0.000 0.000 0.260 130 G HA3 -0.294 3.666 3.960 0.000 0.000 0.260 130 G C 0.104 174.987 174.900 -0.028 0.000 0.977 130 G CA 0.688 45.778 45.100 -0.016 0.000 0.641 130 G HN 0.315 nan 8.290 nan 0.000 0.533 131 T N 1.763 116.296 114.554 -0.035 0.000 2.771 131 T HA 0.511 4.861 4.350 0.000 0.000 0.281 131 T C -0.116 174.533 174.700 -0.086 0.000 0.982 131 T CA -0.481 61.585 62.100 -0.057 0.000 0.978 131 T CB 1.707 70.545 68.868 -0.050 0.000 0.930 131 T HN 0.248 nan 8.240 nan 0.000 0.447 132 E N 2.091 122.207 120.200 -0.140 0.000 2.301 132 E HA 0.414 4.764 4.350 0.000 0.000 0.275 132 E C -0.771 175.587 176.600 -0.403 0.000 1.030 132 E CA -0.368 55.886 56.400 -0.243 0.000 0.852 132 E CB 1.923 31.453 29.700 -0.282 0.000 1.060 132 E HN 0.248 nan 8.360 nan 0.000 0.401 133 V N 4.402 124.093 119.914 -0.371 0.000 2.482 133 V HA 0.206 4.326 4.120 0.000 0.000 0.295 133 V C -1.354 174.648 176.094 -0.154 0.000 1.026 133 V CA -0.804 61.320 62.300 -0.294 0.000 0.856 133 V CB 0.806 32.569 31.823 -0.099 0.000 1.001 133 V HN 0.466 nan 8.190 nan 0.000 0.424 134 Y N 1.922 122.288 120.300 0.110 0.000 2.341 134 Y HA 0.659 5.210 4.550 0.000 0.000 0.337 134 Y C 0.687 176.597 175.900 0.017 0.000 1.014 134 Y CA -1.379 56.754 58.100 0.055 0.000 1.111 134 Y CB 1.854 40.396 38.460 0.136 0.000 1.194 134 Y HN 0.467 nan 8.280 nan 0.000 0.462 135 T N 5.187 119.727 114.554 -0.023 0.000 2.864 135 T HA 0.445 4.796 4.350 0.000 0.000 0.310 135 T C -1.010 173.477 174.700 -0.355 0.000 1.040 135 T CA -0.545 61.460 62.100 -0.159 0.000 0.977 135 T CB -0.362 68.297 68.868 -0.348 0.000 0.976 135 T HN 0.173 nan 8.240 nan 0.000 0.459 136 F N 3.364 123.217 119.950 -0.162 0.000 2.371 136 F HA 0.282 4.809 4.527 0.000 0.000 0.363 136 F C 1.159 176.904 175.800 -0.091 0.000 1.122 136 F CA -1.062 56.868 58.000 -0.116 0.000 1.129 136 F CB 0.468 39.460 39.000 -0.014 0.000 1.173 136 F HN 0.490 nan 8.300 nan 0.000 0.489 137 H N 3.035 122.253 119.070 0.246 0.000 3.067 137 H HA 0.100 4.656 4.556 0.000 0.000 0.265 137 H C 1.196 176.661 175.328 0.229 0.000 1.234 137 H CA 0.314 56.504 56.048 0.236 0.000 1.452 137 H CB 0.574 30.418 29.762 0.136 0.000 1.527 137 H HN 0.705 nan 8.280 nan 0.000 0.486 138 T N 0.742 115.516 114.554 0.367 0.000 2.781 138 T HA 0.055 4.406 4.350 0.000 0.000 0.252 138 T C 1.163 175.973 174.700 0.182 0.000 1.039 138 T CA 0.316 62.589 62.100 0.288 0.000 1.147 138 T CB 0.840 69.934 68.868 0.376 0.000 0.865 138 T HN 0.246 nan 8.240 nan 0.000 0.423 139 R N 0.406 121.002 120.500 0.160 0.000 2.950 139 R HA 0.604 4.944 4.340 0.000 0.000 0.253 139 R C -1.068 175.301 176.300 0.116 0.000 1.168 139 R CA -0.936 55.214 56.100 0.084 0.000 1.014 139 R CB 1.411 31.707 30.300 -0.007 0.000 1.228 139 R HN 0.035 nan 8.270 nan 0.000 0.487 140 K N -0.009 120.432 120.400 0.068 0.000 2.416 140 K HA 0.198 4.518 4.320 0.000 0.000 0.283 140 K C 0.702 177.358 176.600 0.093 0.000 1.037 140 K CA 1.353 57.684 56.287 0.074 0.000 0.995 140 K CB 0.076 32.599 32.500 0.038 0.000 0.938 140 K HN 0.797 nan 8.250 nan 0.000 0.475 141 G N 1.910 110.797 108.800 0.144 0.000 2.175 141 G HA2 -0.346 3.615 3.960 0.000 0.000 0.265 141 G HA3 -0.346 3.615 3.960 0.000 0.000 0.265 141 G C 0.025 175.029 174.900 0.172 0.000 0.979 141 G CA 0.828 46.026 45.100 0.164 0.000 0.663 141 G HN 0.595 nan 8.290 nan 0.000 0.533 142 Q N -0.648 119.271 119.800 0.199 0.000 2.345 142 Q HA 0.735 5.075 4.340 0.000 0.000 0.268 142 Q C -0.489 175.705 176.000 0.323 0.000 1.054 142 Q CA -1.237 54.654 55.803 0.147 0.000 0.835 142 Q CB 1.682 30.457 28.738 0.061 0.000 1.339 142 Q HN 1.147 nan 8.270 nan 0.000 0.447 143 Y N -1.329 119.148 120.300 0.295 0.000 2.732 143 Y HA 0.559 5.109 4.550 0.000 0.000 0.342 143 Y C -2.186 173.782 175.900 0.114 0.000 1.203 143 Y CA -1.231 57.004 58.100 0.225 0.000 1.092 143 Y CB 0.563 39.072 38.460 0.082 0.000 1.345 143 Y HN 0.271 nan 8.280 nan 0.000 0.458 144 V N 2.562 122.642 119.914 0.276 0.000 2.384 144 V HA 0.448 4.568 4.120 0.000 0.000 0.287 144 V C -0.347 175.851 176.094 0.174 0.000 1.020 144 V CA -0.894 61.327 62.300 -0.131 0.000 0.850 144 V CB 1.300 32.804 31.823 -0.532 0.000 0.987 144 V HN 0.716 nan 8.190 nan 0.000 0.436 145 K N 3.748 124.204 120.400 0.093 0.000 2.211 145 K HA 0.690 5.010 4.320 0.000 0.000 0.275 145 K C -1.281 175.354 176.600 0.057 0.000 1.024 145 K CA -0.415 55.965 56.287 0.155 0.000 0.887 145 K CB 1.581 34.196 32.500 0.193 0.000 1.084 145 K HN 0.525 nan 8.250 nan 0.000 0.463 146 V N 3.269 123.286 119.914 0.172 0.000 2.448 146 V HA 0.308 4.428 4.120 0.000 0.000 0.295 146 V C -0.188 175.917 176.094 0.019 0.000 1.025 146 V CA -0.827 61.555 62.300 0.136 0.000 0.859 146 V CB 1.505 33.532 31.823 0.340 0.000 0.988 146 V HN 0.897 nan 8.190 nan 0.000 0.431 147 T N 3.471 118.005 114.554 -0.033 0.000 2.812 147 T HA 0.653 5.003 4.350 0.000 0.000 0.282 147 T C -0.887 173.755 174.700 -0.097 0.000 0.990 147 T CA -0.492 61.548 62.100 -0.100 0.000 0.960 147 T CB 1.488 70.319 68.868 -0.062 0.000 0.948 147 T HN 0.358 nan 8.240 nan 0.000 0.438 148 V N 7.210 127.027 119.914 -0.161 0.000 2.266 148 V HA 0.399 4.519 4.120 0.000 0.000 0.271 148 V C -2.350 173.695 176.094 -0.082 0.000 1.032 148 V CA -2.082 60.158 62.300 -0.101 0.000 0.806 148 V CB 0.716 32.484 31.823 -0.090 0.000 1.052 148 V HN 0.770 nan 8.190 nan 0.000 0.449 149 P HA 0.137 nan 4.420 nan 0.000 0.262 149 P C 0.069 177.350 177.300 -0.032 0.000 1.199 149 P CA 0.538 63.615 63.100 -0.039 0.000 0.763 149 P CB 0.238 31.923 31.700 -0.026 0.000 0.790 150 D N 2.024 122.404 120.400 -0.033 0.000 2.837 150 D HA -0.171 4.470 4.640 0.000 0.000 0.230 150 D C -0.131 176.154 176.300 -0.025 0.000 1.152 150 D CA 1.389 55.373 54.000 -0.026 0.000 0.736 150 D CB -2.178 38.611 40.800 -0.018 0.000 1.084 150 D HN 0.450 nan 8.370 nan 0.000 0.429 151 S N -1.934 113.747 115.700 -0.032 0.000 3.473 151 S HA -0.311 4.159 4.470 0.000 0.000 0.339 151 S C 0.182 174.776 174.600 -0.010 0.000 1.148 151 S CA 0.990 59.177 58.200 -0.022 0.000 0.969 151 S CB -1.210 61.978 63.200 -0.021 0.000 0.936 151 S HN 0.622 nan 8.310 nan 0.000 0.530 152 N N 0.583 119.277 118.700 -0.011 0.000 2.546 152 N HA 0.454 5.194 4.740 0.000 0.000 0.238 152 N C 0.512 176.024 175.510 0.004 0.000 0.984 152 N CA -0.611 52.437 53.050 -0.004 0.000 0.935 152 N CB 0.418 38.901 38.487 -0.006 0.000 1.122 152 N HN 0.230 nan 8.380 nan 0.000 0.510 153 I N 2.290 122.868 120.570 0.015 0.000 2.502 153 I HA -0.222 3.948 4.170 0.000 0.000 0.258 153 I C 0.926 177.056 176.117 0.021 0.000 1.172 153 I CA 1.376 62.692 61.300 0.027 0.000 1.430 153 I CB 0.173 38.194 38.000 0.036 0.000 1.086 153 I HN 0.510 nan 8.210 nan 0.000 0.440 154 D N 0.683 121.090 120.400 0.012 0.000 2.219 154 D HA -0.116 4.524 4.640 0.000 0.000 0.205 154 D C 1.624 177.929 176.300 0.008 0.000 0.970 154 D CA 0.990 54.996 54.000 0.010 0.000 0.851 154 D CB -0.053 40.751 40.800 0.006 0.000 0.943 154 D HN 0.434 nan 8.370 nan 0.000 0.488 155 K N 0.131 120.533 120.400 0.004 0.000 2.410 155 K HA 0.138 4.458 4.320 0.000 0.000 0.200 155 K C 0.859 177.458 176.600 -0.001 0.000 1.023 155 K CA -0.317 55.970 56.287 -0.000 0.000 1.149 155 K CB 0.497 32.994 32.500 -0.005 0.000 0.859 155 K HN 0.171 nan 8.250 nan 0.000 0.514 156 M N 1.826 121.429 119.600 0.006 0.000 2.251 156 M HA -0.031 4.449 4.480 0.000 0.000 0.343 156 M C -0.540 175.764 176.300 0.006 0.000 1.245 156 M CA 1.016 56.322 55.300 0.010 0.000 1.061 156 M CB 0.363 32.982 32.600 0.031 0.000 1.723 156 M HN -0.003 nan 8.290 nan 0.000 0.449 157 R N 3.336 123.835 120.500 -0.002 0.000 2.628 157 R HA 0.654 4.995 4.340 0.000 0.000 0.288 157 R C -1.603 174.683 176.300 -0.023 0.000 0.980 157 R CA -0.845 55.250 56.100 -0.008 0.000 0.891 157 R CB 2.330 32.624 30.300 -0.010 0.000 1.188 157 R HN 0.565 nan 8.270 nan 0.000 0.450 158 V N 2.101 121.992 119.914 -0.040 0.000 2.581 158 V HA 0.458 4.578 4.120 0.000 0.000 0.303 158 V C -0.554 175.456 176.094 -0.141 0.000 1.041 158 V CA -0.787 61.441 62.300 -0.120 0.000 0.907 158 V CB 2.141 33.880 31.823 -0.140 0.000 0.994 158 V HN 0.691 nan 8.190 nan 0.000 0.442 159 D N 2.001 122.244 120.400 -0.262 0.000 2.855 159 D HA 0.353 4.993 4.640 0.000 0.000 0.241 159 D C -1.501 174.574 176.300 -0.376 0.000 1.277 159 D CA -0.229 53.659 54.000 -0.186 0.000 0.918 159 D CB 2.070 42.840 40.800 -0.050 0.000 1.462 159 D HN 0.460 nan 8.370 nan 0.000 0.559 160 Y N 0.655 120.788 120.300 -0.278 0.000 2.367 160 Y HA 0.378 4.928 4.550 0.000 0.000 0.342 160 Y C 0.422 176.201 175.900 -0.200 0.000 0.979 160 Y CA -0.653 57.206 58.100 -0.402 0.000 1.161 160 Y CB 1.371 39.378 38.460 -0.755 0.000 1.155 160 Y HN 0.025 nan 8.280 nan 0.000 0.503 161 V N 4.256 124.071 119.914 -0.166 0.000 2.384 161 V HA 0.230 4.350 4.120 0.000 0.000 0.287 161 V C -0.176 175.818 176.094 -0.167 0.000 1.020 161 V CA -1.169 60.974 62.300 -0.263 0.000 0.850 161 V CB 1.061 32.486 31.823 -0.663 0.000 0.987 161 V HN 0.976 nan 8.190 nan 0.000 0.436 162 N N 2.924 121.611 118.700 -0.022 0.000 2.780 162 N HA -0.183 4.557 4.740 0.000 0.000 0.248 162 N C -0.388 175.169 175.510 0.079 0.000 1.102 162 N CA 0.674 53.730 53.050 0.010 0.000 0.697 162 N CB -0.450 38.017 38.487 -0.034 0.000 1.028 162 N HN 0.800 nan 8.380 nan 0.000 0.554 163 W N 1.206 122.458 121.300 -0.080 0.000 2.311 163 W HA 0.255 4.915 4.660 0.000 0.000 0.310 163 W C -0.294 176.184 176.519 -0.068 0.000 1.274 163 W CA -0.090 57.217 57.345 -0.064 0.000 1.215 163 W CB 0.599 30.029 29.460 -0.050 0.000 1.227 163 W HN -0.161 nan 8.180 nan 0.000 0.523 164 K N 4.638 124.705 120.400 -0.555 0.000 2.507 164 K HA 0.621 4.941 4.320 0.000 0.000 0.253 164 K C 0.162 176.411 176.600 -0.585 0.000 0.969 164 K CA -0.416 55.628 56.287 -0.405 0.000 0.908 164 K CB 1.028 33.358 32.500 -0.284 0.000 1.127 164 K HN 0.748 nan 8.250 nan 0.000 0.437 165 G N 3.422 112.033 108.800 -0.315 0.000 2.331 165 G HA2 -0.011 3.949 3.960 0.000 0.000 0.402 165 G HA3 -0.011 3.949 3.960 0.000 0.000 0.402 165 G C -3.073 171.864 174.900 0.062 0.000 1.275 165 G CA -1.020 43.969 45.100 -0.185 0.000 1.003 165 G HN 0.326 nan 8.290 nan 0.000 0.500 166 P HA 0.547 nan 4.420 nan 0.000 0.282 166 P C -0.786 176.606 177.300 0.154 0.000 1.259 166 P CA -0.426 62.748 63.100 0.122 0.000 0.826 166 P CB 0.984 32.731 31.700 0.078 0.000 1.064 167 K N 1.353 121.648 120.400 -0.174 0.000 2.234 167 K HA 0.276 4.596 4.320 0.000 0.000 0.282 167 K C -0.132 176.354 176.600 -0.191 0.000 1.039 167 K CA -0.399 55.498 56.287 -0.650 0.000 0.928 167 K CB 0.103 32.022 32.500 -0.970 0.000 1.039 167 K HN 0.301 nan 8.250 nan 0.000 0.470 168 Y N 1.648 121.855 120.300 -0.155 0.000 2.757 168 Y HA -0.150 4.400 4.550 0.000 0.000 0.344 168 Y C 1.176 177.075 175.900 -0.002 0.000 1.263 168 Y CA -0.528 57.578 58.100 0.009 0.000 1.493 168 Y CB -0.031 38.475 38.460 0.077 0.000 1.342 168 Y HN 0.596 nan 8.280 nan 0.000 0.627 169 N N 2.431 121.238 118.700 0.178 0.000 2.520 169 N HA -0.041 4.700 4.740 0.000 0.000 0.273 169 N C 0.649 176.218 175.510 0.099 0.000 1.155 169 N CA -0.045 53.062 53.050 0.096 0.000 0.967 169 N CB 0.380 38.902 38.487 0.058 0.000 1.092 169 N HN 0.765 nan 8.380 nan 0.000 0.457 170 N N 2.162 120.908 118.700 0.077 0.000 2.037 170 N HA -0.260 4.480 4.740 0.000 0.000 0.196 170 N C 1.492 177.039 175.510 0.061 0.000 1.034 170 N CA 1.289 54.380 53.050 0.069 0.000 0.861 170 N CB -0.055 38.462 38.487 0.050 0.000 1.039 170 N HN 0.619 nan 8.380 nan 0.000 0.427 171 K N 1.674 122.104 120.400 0.050 0.000 2.089 171 K HA -0.212 4.108 4.320 0.000 0.000 0.210 171 K C 2.115 178.746 176.600 0.053 0.000 1.048 171 K CA 1.171 57.486 56.287 0.046 0.000 0.926 171 K CB -0.646 31.876 32.500 0.036 0.000 0.714 171 K HN 0.145 nan 8.250 nan 0.000 0.448 172 L N 1.285 122.536 121.223 0.047 0.000 1.971 172 L HA -0.198 4.142 4.340 0.000 0.000 0.215 172 L C 2.445 179.346 176.870 0.053 0.000 1.072 172 L CA 1.672 56.531 54.840 0.032 0.000 0.758 172 L CB -0.800 41.247 42.059 -0.019 0.000 0.889 172 L HN 0.053 nan 8.230 nan 0.000 0.433 173 V N -0.283 119.667 119.914 0.059 0.000 2.233 173 V HA -0.340 3.780 4.120 0.000 0.000 0.247 173 V C 2.659 178.823 176.094 0.118 0.000 1.050 173 V CA 2.186 64.523 62.300 0.062 0.000 1.010 173 V CB -1.020 30.829 31.823 0.042 0.000 0.637 173 V HN 0.463 nan 8.190 nan 0.000 0.444 174 K N -0.076 120.380 120.400 0.093 0.000 2.034 174 K HA -0.265 4.055 4.320 0.000 0.000 0.214 174 K C 2.458 179.117 176.600 0.099 0.000 1.051 174 K CA 1.952 58.293 56.287 0.091 0.000 0.931 174 K CB -0.346 32.193 32.500 0.063 0.000 0.715 174 K HN 0.317 nan 8.250 nan 0.000 0.446 175 R N -0.503 120.056 120.500 0.100 0.000 2.133 175 R HA -0.217 4.123 4.340 0.000 0.000 0.245 175 R C 2.354 178.735 176.300 0.134 0.000 1.137 175 R CA 2.255 58.416 56.100 0.101 0.000 0.947 175 R CB -0.480 29.884 30.300 0.107 0.000 0.865 175 R HN 0.237 nan 8.270 nan 0.000 0.437 176 F N 0.578 120.555 119.950 0.046 0.000 2.149 176 F HA -0.118 4.410 4.527 0.000 0.000 0.294 176 F C 2.107 177.983 175.800 0.127 0.000 1.095 176 F CA 1.000 59.038 58.000 0.064 0.000 1.276 176 F CB -0.475 38.553 39.000 0.047 0.000 1.023 176 F HN -0.243 nan 8.300 nan 0.000 0.480 177 V N -0.169 119.795 119.914 0.083 0.000 2.282 177 V HA -0.351 3.770 4.120 0.000 0.000 0.249 177 V C 2.610 178.708 176.094 0.006 0.000 1.057 177 V CA 2.136 64.494 62.300 0.097 0.000 1.032 177 V CB -1.244 30.755 31.823 0.293 0.000 0.645 177 V HN 0.417 nan 8.190 nan 0.000 0.447 178 S N -0.768 114.938 115.700 0.009 0.000 2.378 178 S HA -0.321 4.149 4.470 0.000 0.000 0.229 178 S C 2.008 176.579 174.600 -0.048 0.000 1.052 178 S CA 2.099 60.298 58.200 -0.001 0.000 1.084 178 S CB -0.340 62.863 63.200 0.005 0.000 0.950 178 S HN 0.704 nan 8.310 nan 0.000 0.440 179 Q N -0.614 119.117 119.800 -0.116 0.000 2.016 179 Q HA -0.086 4.254 4.340 0.000 0.000 0.200 179 Q C 2.003 177.924 176.000 -0.133 0.000 0.978 179 Q CA 1.071 56.802 55.803 -0.121 0.000 0.833 179 Q CB -0.572 28.083 28.738 -0.138 0.000 0.895 179 Q HN 0.549 nan 8.270 nan 0.000 0.427 180 F N 2.086 121.704 119.950 -0.553 0.000 2.120 180 F HA -0.234 4.293 4.527 0.000 0.000 0.300 180 F C 2.127 177.805 175.800 -0.202 0.000 1.095 180 F CA 0.996 58.658 58.000 -0.564 0.000 1.249 180 F CB -0.539 37.864 39.000 -0.996 0.000 0.995 180 F HN 0.013 nan 8.300 nan 0.000 0.480 181 L N -0.624 120.534 121.223 -0.108 0.000 1.990 181 L HA -0.261 4.079 4.340 0.000 0.000 0.213 181 L C 2.513 179.323 176.870 -0.100 0.000 1.072 181 L CA 1.786 56.607 54.840 -0.032 0.000 0.755 181 L CB -0.704 41.397 42.059 0.070 0.000 0.889 181 L HN 0.320 nan 8.230 nan 0.000 0.432 182 L N -0.399 120.785 121.223 -0.065 0.000 1.989 182 L HA -0.295 4.045 4.340 0.000 0.000 0.211 182 L C 2.354 179.187 176.870 -0.062 0.000 1.071 182 L CA 2.102 56.911 54.840 -0.052 0.000 0.749 182 L CB -0.868 41.177 42.059 -0.024 0.000 0.890 182 L HN 0.323 nan 8.230 nan 0.000 0.431 183 F N 0.344 120.156 119.950 -0.229 0.000 2.091 183 F HA -0.276 4.251 4.527 0.000 0.000 0.299 183 F C 2.577 178.202 175.800 -0.291 0.000 1.103 183 F CA 2.021 59.880 58.000 -0.234 0.000 1.228 183 F CB -0.426 38.421 39.000 -0.255 0.000 0.984 183 F HN 0.014 nan 8.300 nan 0.000 0.477 184 R N 0.632 120.860 120.500 -0.453 0.000 2.094 184 R HA -0.208 4.132 4.340 0.000 0.000 0.239 184 R C 2.304 178.375 176.300 -0.380 0.000 1.137 184 R CA 2.384 58.150 56.100 -0.557 0.000 0.943 184 R CB -0.340 29.674 30.300 -0.477 0.000 0.850 184 R HN 0.371 nan 8.270 nan 0.000 0.433 185 K N 0.443 120.698 120.400 -0.243 0.000 2.020 185 K HA -0.205 4.116 4.320 0.000 0.000 0.212 185 K C 2.003 178.491 176.600 -0.188 0.000 1.050 185 K CA 1.907 58.093 56.287 -0.169 0.000 0.929 185 K CB -0.251 32.181 32.500 -0.112 0.000 0.714 185 K HN 0.362 nan 8.250 nan 0.000 0.443 186 E N 1.198 121.273 120.200 -0.208 0.000 2.049 186 E HA -0.271 4.079 4.350 0.000 0.000 0.198 186 E C 2.210 178.671 176.600 -0.232 0.000 1.007 186 E CA 1.247 57.535 56.400 -0.187 0.000 0.809 186 E CB -0.229 29.378 29.700 -0.155 0.000 0.749 186 E HN 0.432 nan 8.360 nan 0.000 0.450 187 E N 1.475 121.438 120.200 -0.395 0.000 2.086 187 E HA -0.245 4.105 4.350 0.000 0.000 0.200 187 E C 2.015 178.485 176.600 -0.217 0.000 1.012 187 E CA 1.504 57.679 56.400 -0.376 0.000 0.812 187 E CB 0.136 29.473 29.700 -0.604 0.000 0.743 187 E HN 0.121 nan 8.360 nan 0.000 0.453 188 K N 0.489 120.770 120.400 -0.198 0.000 1.991 188 K HA -0.198 4.122 4.320 0.000 0.000 0.212 188 K C 2.167 178.709 176.600 -0.096 0.000 1.049 188 K CA 1.718 57.931 56.287 -0.124 0.000 0.932 188 K CB -0.533 31.905 32.500 -0.102 0.000 0.717 188 K HN 0.280 nan 8.250 nan 0.000 0.441 189 E N 1.182 121.325 120.200 -0.095 0.000 2.086 189 E HA -0.238 4.113 4.350 0.000 0.000 0.200 189 E C 2.209 178.775 176.600 -0.058 0.000 1.012 189 E CA 1.516 57.875 56.400 -0.068 0.000 0.812 189 E CB -0.086 29.571 29.700 -0.071 0.000 0.743 189 E HN 0.281 nan 8.360 nan 0.000 0.453 190 K N 0.999 121.354 120.400 -0.075 0.000 1.978 190 K HA -0.215 4.106 4.320 0.000 0.000 0.214 190 K C 1.789 178.357 176.600 -0.054 0.000 1.049 190 K CA 2.008 58.260 56.287 -0.058 0.000 0.939 190 K CB -0.214 32.245 32.500 -0.068 0.000 0.721 190 K HN 0.085 nan 8.250 nan 0.000 0.441 191 N N 0.525 119.181 118.700 -0.075 0.000 2.132 191 N HA -0.225 4.515 4.740 0.000 0.000 0.191 191 N C 1.880 177.333 175.510 -0.095 0.000 1.015 191 N CA 1.444 54.441 53.050 -0.090 0.000 0.864 191 N CB -0.079 38.343 38.487 -0.107 0.000 1.006 191 N HN 0.366 nan 8.380 nan 0.000 0.430 192 E N 1.204 121.366 120.200 -0.064 0.000 2.038 192 E HA -0.214 4.136 4.350 0.000 0.000 0.195 192 E C 1.550 178.146 176.600 -0.005 0.000 1.000 192 E CA 1.102 57.483 56.400 -0.031 0.000 0.803 192 E CB 0.221 29.926 29.700 0.008 0.000 0.750 192 E HN 0.272 nan 8.360 nan 0.000 0.448 193 K N 0.429 120.831 120.400 0.004 0.000 2.057 193 K HA -0.185 4.136 4.320 0.000 0.000 0.207 193 K C 2.125 178.735 176.600 0.017 0.000 1.049 193 K CA 1.185 57.488 56.287 0.026 0.000 0.931 193 K CB -0.299 32.217 32.500 0.026 0.000 0.714 193 K HN 0.111 nan 8.250 nan 0.000 0.440 194 E N 0.824 121.020 120.200 -0.006 0.000 2.085 194 E HA -0.157 4.193 4.350 0.000 0.000 0.194 194 E C 1.881 178.485 176.600 0.006 0.000 0.994 194 E CA 1.468 57.871 56.400 0.004 0.000 0.801 194 E CB -0.117 29.577 29.700 -0.010 0.000 0.743 194 E HN 0.351 nan 8.360 nan 0.000 0.453 195 A N 0.191 122.961 122.820 -0.083 0.000 1.855 195 A HA -0.127 4.193 4.320 0.000 0.000 0.215 195 A C 2.189 179.791 177.584 0.030 0.000 1.191 195 A CA 1.138 53.078 52.037 -0.162 0.000 0.613 195 A CB -0.751 17.994 19.000 -0.426 0.000 0.829 195 A HN 0.249 nan 8.150 nan 0.000 0.442 196 L N -0.682 120.557 121.223 0.026 0.000 2.043 196 L HA -0.244 4.096 4.340 0.000 0.000 0.212 196 L C 2.640 179.552 176.870 0.070 0.000 1.075 196 L CA 1.219 56.095 54.840 0.060 0.000 0.752 196 L CB -0.641 41.471 42.059 0.088 0.000 0.891 196 L HN 0.399 nan 8.230 nan 0.000 0.432 197 L N -0.203 121.063 121.223 0.071 0.000 1.955 197 L HA -0.265 4.075 4.340 0.000 0.000 0.213 197 L C 2.745 179.665 176.870 0.083 0.000 1.072 197 L CA 1.491 56.371 54.840 0.068 0.000 0.755 197 L CB -0.337 41.759 42.059 0.063 0.000 0.888 197 L HN 0.139 nan 8.230 nan 0.000 0.432 198 K N -0.120 120.355 120.400 0.126 0.000 2.113 198 K HA -0.209 4.111 4.320 0.000 0.000 0.208 198 K C 1.895 178.567 176.600 0.120 0.000 1.047 198 K CA 1.628 58.003 56.287 0.145 0.000 0.928 198 K CB -0.326 32.318 32.500 0.239 0.000 0.716 198 K HN 0.366 nan 8.250 nan 0.000 0.446 199 A N 0.006 122.923 122.820 0.162 0.000 1.898 199 A HA -0.166 4.154 4.320 0.000 0.000 0.216 199 A C 2.193 179.793 177.584 0.026 0.000 1.181 199 A CA 2.174 54.270 52.037 0.099 0.000 0.620 199 A CB -1.107 17.974 19.000 0.134 0.000 0.819 199 A HN 0.528 nan 8.150 nan 0.000 0.442 200 S N 0.140 115.860 115.700 0.033 0.000 2.383 200 S HA -0.237 4.234 4.470 0.000 0.000 0.229 200 S C 1.674 176.277 174.600 0.005 0.000 1.030 200 S CA 1.593 59.799 58.200 0.010 0.000 1.002 200 S CB -0.548 62.661 63.200 0.016 0.000 0.829 200 S HN 0.668 nan 8.310 nan 0.000 0.467 201 E N 1.471 121.682 120.200 0.018 0.000 2.023 201 E HA -0.101 4.249 4.350 0.000 0.000 0.196 201 E C 2.225 178.826 176.600 0.002 0.000 1.003 201 E CA 1.600 58.010 56.400 0.016 0.000 0.809 201 E CB -0.534 29.183 29.700 0.029 0.000 0.755 201 E HN 0.516 nan 8.360 nan 0.000 0.449 202 L N 0.836 122.050 121.223 -0.015 0.000 2.013 202 L HA -0.238 4.102 4.340 0.000 0.000 0.212 202 L C 2.587 179.429 176.870 -0.047 0.000 1.073 202 L CA 1.031 55.841 54.840 -0.049 0.000 0.753 202 L CB -0.726 41.246 42.059 -0.145 0.000 0.890 202 L HN 0.061 nan 8.230 nan 0.000 0.432 203 V N -0.977 118.908 119.914 -0.049 0.000 2.407 203 V HA -0.283 3.837 4.120 0.000 0.000 0.248 203 V C 2.721 178.801 176.094 -0.024 0.000 1.055 203 V CA 1.959 64.232 62.300 -0.045 0.000 1.049 203 V CB -0.323 31.466 31.823 -0.056 0.000 0.662 203 V HN 0.485 nan 8.190 nan 0.000 0.455 204 S N 0.550 116.239 115.700 -0.017 0.000 2.356 204 S HA -0.134 4.336 4.470 0.000 0.000 0.223 204 S C 2.099 176.705 174.600 0.010 0.000 1.032 204 S CA 1.831 60.026 58.200 -0.010 0.000 1.005 204 S CB -0.620 62.577 63.200 -0.005 0.000 0.867 204 S HN 0.621 nan 8.310 nan 0.000 0.449 205 G N 1.317 110.127 108.800 0.016 0.000 2.422 205 G HA2 -0.198 3.762 3.960 0.000 0.000 0.218 205 G HA3 -0.198 3.762 3.960 0.000 0.000 0.218 205 G C 1.484 176.413 174.900 0.048 0.000 1.146 205 G CA 0.947 46.066 45.100 0.032 0.000 0.769 205 G HN 0.547 nan 8.290 nan 0.000 0.547 206 M N 1.098 120.723 119.600 0.042 0.000 2.149 206 M HA -0.029 4.451 4.480 0.000 0.000 0.261 206 M C 2.535 178.909 176.300 0.124 0.000 1.064 206 M CA 1.919 57.259 55.300 0.066 0.000 1.102 206 M CB -0.466 32.159 32.600 0.041 0.000 1.369 206 M HN 0.245 nan 8.290 nan 0.000 0.408 207 G N 0.764 109.623 108.800 0.098 0.000 2.545 207 G HA2 -0.289 3.671 3.960 0.000 0.000 0.217 207 G HA3 -0.289 3.671 3.960 0.000 0.000 0.217 207 G C 0.993 175.976 174.900 0.139 0.000 1.218 207 G CA 1.322 46.490 45.100 0.115 0.000 0.787 207 G HN 0.511 nan 8.290 nan 0.000 0.571 208 D N 0.602 121.051 120.400 0.081 0.000 2.126 208 D HA -0.166 4.474 4.640 0.000 0.000 0.190 208 D C 2.169 178.526 176.300 0.095 0.000 1.001 208 D CA 1.562 55.606 54.000 0.072 0.000 0.841 208 D CB -0.240 40.587 40.800 0.045 0.000 0.949 208 D HN 0.449 nan 8.370 nan 0.000 0.446 209 K N 0.951 121.415 120.400 0.105 0.000 1.969 209 K HA -0.130 4.190 4.320 0.000 0.000 0.216 209 K C 2.470 179.196 176.600 0.209 0.000 1.048 209 K CA 1.000 57.368 56.287 0.136 0.000 0.948 209 K CB -0.309 32.262 32.500 0.119 0.000 0.726 209 K HN 0.054 nan 8.250 nan 0.000 0.442 210 L N 0.480 121.806 121.223 0.171 0.000 2.127 210 L HA -0.116 4.224 4.340 0.000 0.000 0.211 210 L C 2.628 179.602 176.870 0.174 0.000 1.089 210 L CA 1.271 56.188 54.840 0.127 0.000 0.757 210 L CB -0.996 41.002 42.059 -0.102 0.000 0.899 210 L HN 0.567 nan 8.230 nan 0.000 0.434 211 G N -0.229 108.698 108.800 0.211 0.000 2.450 211 G HA2 -0.244 3.717 3.960 0.000 0.000 0.220 211 G HA3 -0.244 3.717 3.960 0.000 0.000 0.220 211 G C 1.427 176.394 174.900 0.112 0.000 1.130 211 G CA 0.457 45.673 45.100 0.194 0.000 0.760 211 G HN 0.430 nan 8.290 nan 0.000 0.557 212 E N -0.651 119.597 120.200 0.080 0.000 2.160 212 E HA -0.147 4.204 4.350 0.000 0.000 0.195 212 E C 1.975 178.503 176.600 -0.121 0.000 0.991 212 E CA 1.082 57.440 56.400 -0.070 0.000 0.810 212 E CB -0.110 29.472 29.700 -0.196 0.000 0.742 212 E HN 0.713 nan 8.360 nan 0.000 0.466 213 Y N -1.007 119.275 120.300 -0.030 0.000 2.396 213 Y HA 0.002 4.552 4.550 0.000 0.000 0.292 213 Y C 1.919 177.785 175.900 -0.057 0.000 1.128 213 Y CA 0.013 58.086 58.100 -0.047 0.000 1.194 213 Y CB -0.228 38.193 38.460 -0.065 0.000 1.124 213 Y HN -0.037 nan 8.280 nan 0.000 0.543 214 L N -0.547 120.740 121.223 0.107 0.000 2.179 214 L HA 0.272 4.612 4.340 0.000 0.000 0.208 214 L C 1.042 177.943 176.870 0.053 0.000 1.096 214 L CA 1.443 56.281 54.840 -0.004 0.000 0.779 214 L CB -1.168 40.752 42.059 -0.231 0.000 0.922 214 L HN 0.368 nan 8.230 nan 0.000 0.443 215 G N -2.553 106.298 108.800 0.085 0.000 2.406 215 G HA2 -0.068 3.892 3.960 0.000 0.000 0.680 215 G HA3 -0.068 3.892 3.960 0.000 0.000 0.680 215 G C 0.193 175.157 174.900 0.107 0.000 1.338 215 G CA -0.389 44.759 45.100 0.080 0.000 0.941 215 G HN -0.217 nan 8.290 nan 0.000 0.633 216 V N 0.770 120.724 119.914 0.067 0.000 2.427 216 V HA -0.079 4.041 4.120 0.000 0.000 0.248 216 V C 2.792 178.917 176.094 0.051 0.000 1.051 216 V CA 3.083 65.415 62.300 0.054 0.000 1.048 216 V CB -0.610 31.229 31.823 0.028 0.000 0.666 216 V HN 0.770 nan 8.190 nan 0.000 0.456 217 K N -0.933 119.499 120.400 0.054 0.000 2.044 217 K HA -0.264 4.056 4.320 0.000 0.000 0.210 217 K C 2.071 178.691 176.600 0.033 0.000 1.049 217 K CA 2.373 58.681 56.287 0.036 0.000 0.927 217 K CB -0.538 31.986 32.500 0.041 0.000 0.713 217 K HN 0.627 nan 8.250 nan 0.000 0.443 218 Y N 2.258 122.554 120.300 -0.007 0.000 2.049 218 Y HA -0.321 4.229 4.550 0.000 0.000 0.277 218 Y C 2.433 178.327 175.900 -0.010 0.000 1.143 218 Y CA 1.917 60.011 58.100 -0.010 0.000 1.115 218 Y CB -0.226 38.232 38.460 -0.003 0.000 0.975 218 Y HN -0.070 nan 8.280 nan 0.000 0.487 219 K N 0.175 120.625 120.400 0.083 0.000 2.127 219 K HA -0.280 4.040 4.320 0.000 0.000 0.208 219 K C 1.691 178.231 176.600 -0.099 0.000 1.047 219 K CA 2.000 58.290 56.287 0.005 0.000 0.927 219 K CB -0.366 32.180 32.500 0.076 0.000 0.716 219 K HN 0.413 nan 8.250 nan 0.000 0.450 220 N N 0.609 119.260 118.700 -0.082 0.000 2.084 220 N HA -0.134 4.606 4.740 0.000 0.000 0.190 220 N C 1.973 177.407 175.510 -0.127 0.000 1.030 220 N CA 1.538 54.539 53.050 -0.081 0.000 0.849 220 N CB -0.444 38.014 38.487 -0.048 0.000 1.012 220 N HN 0.055 nan 8.380 nan 0.000 0.423 221 V N 1.820 121.621 119.914 -0.187 0.000 2.295 221 V HA -0.172 3.948 4.120 0.000 0.000 0.246 221 V C 2.525 178.473 176.094 -0.244 0.000 1.049 221 V CA 1.710 63.887 62.300 -0.205 0.000 1.024 221 V CB -1.137 30.550 31.823 -0.226 0.000 0.648 221 V HN 0.270 nan 8.190 nan 0.000 0.447 222 A N 0.042 122.629 122.820 -0.388 0.000 1.927 222 A HA -0.294 4.026 4.320 0.000 0.000 0.220 222 A C 2.306 179.787 177.584 -0.172 0.000 1.185 222 A CA 2.261 54.097 52.037 -0.334 0.000 0.639 222 A CB -0.509 18.244 19.000 -0.412 0.000 0.820 222 A HN 0.561 nan 8.150 nan 0.000 0.451 223 K N -0.204 120.113 120.400 -0.138 0.000 2.057 223 K HA -0.187 4.133 4.320 0.000 0.000 0.207 223 K C 1.929 178.489 176.600 -0.068 0.000 1.049 223 K CA 1.597 57.836 56.287 -0.079 0.000 0.931 223 K CB -0.294 32.172 32.500 -0.056 0.000 0.714 223 K HN 0.818 nan 8.250 nan 0.000 0.440 224 E N 0.945 121.098 120.200 -0.078 0.000 2.077 224 E HA -0.139 4.212 4.350 0.000 0.000 0.193 224 E C 2.141 178.707 176.600 -0.057 0.000 0.989 224 E CA 1.162 57.527 56.400 -0.059 0.000 0.800 224 E CB -0.471 29.194 29.700 -0.058 0.000 0.746 224 E HN -0.020 nan 8.360 nan 0.000 0.452 225 V N 2.091 121.957 119.914 -0.080 0.000 2.324 225 V HA -0.321 3.799 4.120 0.000 0.000 0.250 225 V C 2.573 178.634 176.094 -0.056 0.000 1.060 225 V CA 1.991 64.248 62.300 -0.072 0.000 1.042 225 V CB -0.865 30.899 31.823 -0.097 0.000 0.650 225 V HN 0.406 nan 8.190 nan 0.000 0.450 226 A N 0.323 123.108 122.820 -0.057 0.000 1.908 226 A HA -0.321 3.999 4.320 0.000 0.000 0.218 226 A C 2.079 179.650 177.584 -0.022 0.000 1.181 226 A CA 2.436 54.450 52.037 -0.039 0.000 0.627 226 A CB -0.899 18.079 19.000 -0.036 0.000 0.818 226 A HN 0.702 nan 8.150 nan 0.000 0.445 227 N N -0.341 118.346 118.700 -0.022 0.000 2.142 227 N HA -0.168 4.572 4.740 0.000 0.000 0.186 227 N C 1.214 176.723 175.510 -0.002 0.000 1.023 227 N CA 1.615 54.659 53.050 -0.009 0.000 0.852 227 N CB -0.202 38.278 38.487 -0.012 0.000 0.998 227 N HN 0.355 nan 8.380 nan 0.000 0.424 228 D N 0.333 120.729 120.400 -0.007 0.000 2.123 228 D HA -0.154 4.486 4.640 0.000 0.000 0.196 228 D C 1.928 178.243 176.300 0.025 0.000 0.992 228 D CA 0.959 54.964 54.000 0.008 0.000 0.833 228 D CB -0.264 40.537 40.800 0.002 0.000 0.954 228 D HN 0.445 nan 8.370 nan 0.000 0.455 229 I N 0.859 121.424 120.570 -0.007 0.000 2.179 229 I HA -0.240 3.930 4.170 0.000 0.000 0.242 229 I C 2.483 178.621 176.117 0.035 0.000 1.088 229 I CA 1.043 62.329 61.300 -0.024 0.000 1.357 229 I CB -0.183 37.791 38.000 -0.043 0.000 1.051 229 I HN -0.064 nan 8.210 nan 0.000 0.409 230 K N 0.839 121.256 120.400 0.029 0.000 2.113 230 K HA -0.193 4.127 4.320 0.000 0.000 0.208 230 K C 0.752 177.384 176.600 0.053 0.000 1.047 230 K CA 1.532 57.844 56.287 0.041 0.000 0.928 230 K CB -0.059 32.458 32.500 0.028 0.000 0.716 230 K HN 0.310 nan 8.250 nan 0.000 0.446 231 N N 0.290 119.012 118.700 0.036 0.000 2.321 231 N HA 0.027 4.767 4.740 0.000 0.000 0.242 231 N C -0.737 174.694 175.510 -0.131 0.000 1.141 231 N CA -0.177 52.867 53.050 -0.011 0.000 0.864 231 N CB 0.107 38.584 38.487 -0.016 0.000 1.100 231 N HN 0.089 nan 8.380 nan 0.000 0.510 232 F N 1.483 121.305 119.950 -0.212 0.000 2.385 232 F HA 0.328 4.855 4.527 0.000 0.000 0.336 232 F C -0.018 175.639 175.800 -0.238 0.000 1.100 232 F CA -0.810 57.020 58.000 -0.284 0.000 1.116 232 F CB 0.593 39.526 39.000 -0.111 0.000 1.166 232 F HN 0.067 nan 8.300 nan 0.000 0.511 233 H N 2.694 121.371 119.070 -0.653 0.000 2.469 233 H HA 0.370 4.926 4.556 0.000 0.000 0.342 233 H C 0.946 175.603 175.328 -1.117 0.000 1.115 233 H CA -0.550 55.136 56.048 -0.603 0.000 1.204 233 H CB 1.774 31.344 29.762 -0.321 0.000 1.492 233 H HN 0.875 nan 8.280 nan 0.000 0.499 234 G N 1.784 110.294 108.800 -0.484 0.000 2.625 234 G HA2 -0.202 3.758 3.960 0.000 0.000 0.214 234 G HA3 -0.202 3.758 3.960 0.000 0.000 0.214 234 G C 1.219 175.996 174.900 -0.206 0.000 1.132 234 G CA -0.036 44.877 45.100 -0.311 0.000 0.782 234 G HN 0.529 nan 8.290 nan 0.000 0.538 235 R N 0.899 121.279 120.500 -0.200 0.000 2.325 235 R HA 0.064 4.404 4.340 0.000 0.000 0.214 235 R C -0.006 176.246 176.300 -0.080 0.000 0.961 235 R CA 0.460 56.501 56.100 -0.099 0.000 1.086 235 R CB -0.829 29.427 30.300 -0.074 0.000 1.037 235 R HN 0.528 nan 8.270 nan 0.000 0.493 236 N N 0.030 118.643 118.700 -0.144 0.000 2.307 236 N HA 0.125 4.866 4.740 0.000 0.000 0.248 236 N C -0.320 175.275 175.510 0.142 0.000 1.322 236 N CA -0.505 52.527 53.050 -0.031 0.000 0.861 236 N CB 0.325 38.784 38.487 -0.047 0.000 1.303 236 N HN 0.054 nan 8.380 nan 0.000 0.498 237 I N 1.937 122.638 120.570 0.218 0.000 2.618 237 I HA 0.082 4.252 4.170 0.000 0.000 0.284 237 I C 0.251 176.528 176.117 0.268 0.000 1.146 237 I CA -0.381 61.156 61.300 0.394 0.000 1.425 237 I CB 0.457 38.683 38.000 0.377 0.000 1.383 237 I HN 0.111 nan 8.210 nan 0.000 0.562 238 R N 5.053 125.744 120.500 0.318 0.000 2.615 238 R HA 0.328 4.668 4.340 0.000 0.000 0.270 238 R C 0.300 176.759 176.300 0.265 0.000 1.081 238 R CA -0.434 55.812 56.100 0.244 0.000 1.154 238 R CB 0.357 30.759 30.300 0.170 0.000 1.063 238 R HN 0.783 nan 8.270 nan 0.000 0.519 239 S N 0.519 116.321 115.700 0.170 0.000 2.593 239 S HA -0.064 4.406 4.470 0.000 0.000 0.269 239 S C 1.134 175.847 174.600 0.187 0.000 1.334 239 S CA -0.565 57.739 58.200 0.174 0.000 1.015 239 S CB 0.529 63.802 63.200 0.120 0.000 0.912 239 S HN 0.691 nan 8.310 nan 0.000 0.541 240 Y N 3.391 123.747 120.300 0.093 0.000 2.053 240 Y HA -0.220 4.330 4.550 0.000 0.000 0.277 240 Y C 2.108 178.003 175.900 -0.008 0.000 1.159 240 Y CA 2.573 60.704 58.100 0.053 0.000 1.125 240 Y CB -0.707 37.776 38.460 0.039 0.000 0.969 240 Y HN 0.771 nan 8.280 nan 0.000 0.492 241 N N 0.600 119.399 118.700 0.166 0.000 2.223 241 N HA -0.186 4.554 4.740 0.000 0.000 0.185 241 N C 1.738 177.202 175.510 -0.075 0.000 1.016 241 N CA 1.647 54.708 53.050 0.018 0.000 0.863 241 N CB -0.401 38.160 38.487 0.123 0.000 0.983 241 N HN 0.621 nan 8.380 nan 0.000 0.429 242 E N 0.951 121.132 120.200 -0.031 0.000 2.031 242 E HA -0.123 4.227 4.350 0.000 0.000 0.193 242 E C 2.015 178.543 176.600 -0.121 0.000 0.994 242 E CA 1.188 57.561 56.400 -0.044 0.000 0.800 242 E CB -0.060 29.645 29.700 0.010 0.000 0.752 242 E HN 0.341 nan 8.360 nan 0.000 0.447 243 A N 0.968 123.669 122.820 -0.197 0.000 1.858 243 A HA -0.237 4.083 4.320 0.000 0.000 0.216 243 A C 2.124 179.498 177.584 -0.349 0.000 1.190 243 A CA 1.793 53.620 52.037 -0.350 0.000 0.617 243 A CB -0.576 18.008 19.000 -0.694 0.000 0.827 243 A HN 0.218 nan 8.150 nan 0.000 0.443 244 M N 0.245 119.589 119.600 -0.426 0.000 2.108 244 M HA -0.217 4.263 4.480 0.000 0.000 0.257 244 M C 2.165 178.337 176.300 -0.214 0.000 1.071 244 M CA 1.798 56.867 55.300 -0.385 0.000 1.093 244 M CB -0.731 31.525 32.600 -0.574 0.000 1.345 244 M HN 0.456 nan 8.290 nan 0.000 0.403 245 A N -1.282 121.436 122.820 -0.170 0.000 1.851 245 A HA -0.208 4.112 4.320 0.000 0.000 0.216 245 A C 2.219 179.744 177.584 -0.098 0.000 1.195 245 A CA 2.588 54.563 52.037 -0.104 0.000 0.622 245 A CB -1.301 17.653 19.000 -0.078 0.000 0.831 245 A HN 0.595 nan 8.150 nan 0.000 0.444 246 S N -0.248 115.383 115.700 -0.115 0.000 2.359 246 S HA -0.189 4.281 4.470 0.000 0.000 0.224 246 S C 1.841 176.373 174.600 -0.113 0.000 1.035 246 S CA 1.503 59.641 58.200 -0.104 0.000 1.018 246 S CB -0.592 62.541 63.200 -0.111 0.000 0.876 246 S HN 0.432 nan 8.310 nan 0.000 0.448 247 L N 2.698 123.834 121.223 -0.145 0.000 2.043 247 L HA -0.165 4.175 4.340 0.000 0.000 0.212 247 L C 1.596 178.410 176.870 -0.094 0.000 1.075 247 L CA 1.683 56.438 54.840 -0.141 0.000 0.752 247 L CB -1.454 40.515 42.059 -0.150 0.000 0.891 247 L HN 0.288 nan 8.230 nan 0.000 0.432 248 N N -0.731 117.927 118.700 -0.070 0.000 2.060 248 N HA -0.258 4.482 4.740 0.000 0.000 0.195 248 N C 1.660 177.150 175.510 -0.034 0.000 1.028 248 N CA 1.825 54.854 53.050 -0.035 0.000 0.861 248 N CB -0.181 38.287 38.487 -0.032 0.000 1.029 248 N HN 0.403 nan 8.380 nan 0.000 0.428 249 K N 0.515 120.887 120.400 -0.046 0.000 2.034 249 K HA -0.181 4.139 4.320 0.000 0.000 0.214 249 K C 2.047 178.623 176.600 -0.040 0.000 1.051 249 K CA 1.332 57.595 56.287 -0.040 0.000 0.931 249 K CB -0.565 31.908 32.500 -0.045 0.000 0.715 249 K HN 0.055 nan 8.250 nan 0.000 0.446 250 V N 1.561 121.439 119.914 -0.060 0.000 2.237 250 V HA -0.240 3.880 4.120 0.000 0.000 0.245 250 V C 2.311 178.380 176.094 -0.041 0.000 1.046 250 V CA 1.494 63.755 62.300 -0.065 0.000 1.007 250 V CB -0.385 31.371 31.823 -0.112 0.000 0.638 250 V HN 0.211 nan 8.190 nan 0.000 0.445 251 L N 0.403 121.605 121.223 -0.035 0.000 2.043 251 L HA -0.164 4.176 4.340 0.000 0.000 0.212 251 L C 2.437 179.320 176.870 0.022 0.000 1.075 251 L CA 2.446 57.294 54.840 0.012 0.000 0.752 251 L CB -1.439 40.650 42.059 0.049 0.000 0.891 251 L HN 0.362 nan 8.230 nan 0.000 0.432 252 A N -1.380 121.444 122.820 0.007 0.000 2.206 252 A HA -0.076 4.244 4.320 0.000 0.000 0.211 252 A C 1.174 178.761 177.584 0.005 0.000 1.158 252 A CA 0.096 52.137 52.037 0.008 0.000 0.761 252 A CB -0.754 18.246 19.000 0.000 0.000 0.801 252 A HN 0.439 nan 8.150 nan 0.000 0.473 253 N N 0.972 119.672 118.700 -0.000 0.000 2.416 253 N HA 0.078 4.818 4.740 0.000 0.000 0.265 253 N C -1.701 173.814 175.510 0.007 0.000 1.195 253 N CA -1.735 51.315 53.050 -0.001 0.000 0.943 253 N CB 1.074 39.556 38.487 -0.008 0.000 1.115 253 N HN 0.010 nan 8.380 nan 0.000 0.481 254 P HA -0.252 nan 4.420 nan 0.000 0.219 254 P C 0.921 178.230 177.300 0.014 0.000 1.158 254 P CA 1.870 64.976 63.100 0.011 0.000 0.895 254 P CB 0.207 31.912 31.700 0.008 0.000 0.792 255 K N -1.436 118.970 120.400 0.011 0.000 2.211 255 K HA -0.026 4.294 4.320 0.000 0.000 0.203 255 K C 1.299 177.909 176.600 0.017 0.000 1.050 255 K CA 0.639 56.933 56.287 0.012 0.000 0.945 255 K CB -0.987 31.518 32.500 0.009 0.000 0.732 255 K HN 0.206 nan 8.250 nan 0.000 0.451 256 M N 3.420 123.030 119.600 0.017 0.000 3.588 256 M HA -0.006 4.474 4.480 0.000 0.000 0.197 256 M C 0.329 176.655 176.300 0.043 0.000 1.623 256 M CA 0.230 55.545 55.300 0.025 0.000 1.718 256 M CB -0.919 31.691 32.600 0.016 0.000 1.187 256 M HN 0.072 nan 8.290 nan 0.000 0.541 257 K N 1.282 121.707 120.400 0.042 0.000 2.139 257 K HA 0.629 4.949 4.320 0.000 0.000 0.243 257 K C -1.276 175.364 176.600 0.066 0.000 0.983 257 K CA -0.601 55.717 56.287 0.051 0.000 0.890 257 K CB 2.020 34.541 32.500 0.036 0.000 1.090 257 K HN 0.083 nan 8.250 nan 0.000 0.445 258 V N 2.548 122.507 119.914 0.076 0.000 2.568 258 V HA 0.131 4.251 4.120 0.000 0.000 0.276 258 V C -0.959 175.176 176.094 0.068 0.000 1.002 258 V CA -1.055 61.297 62.300 0.087 0.000 0.879 258 V CB 0.922 32.837 31.823 0.152 0.000 1.040 258 V HN 0.990 nan 8.190 nan 0.000 0.457 259 N N 3.056 121.783 118.700 0.044 0.000 2.518 259 N HA 0.268 5.008 4.740 0.000 0.000 0.266 259 N C 0.938 176.466 175.510 0.031 0.000 1.196 259 N CA -0.739 52.330 53.050 0.033 0.000 0.947 259 N CB 1.120 39.620 38.487 0.021 0.000 1.098 259 N HN 0.449 nan 8.380 nan 0.000 0.450 260 K N 1.248 121.665 120.400 0.030 0.000 2.090 260 K HA -0.357 3.964 4.320 0.000 0.000 0.218 260 K C 1.869 178.478 176.600 0.015 0.000 1.055 260 K CA 2.444 58.747 56.287 0.026 0.000 0.941 260 K CB -1.039 31.474 32.500 0.022 0.000 0.722 260 K HN 0.741 nan 8.250 nan 0.000 0.458 261 S N 1.168 116.873 115.700 0.008 0.000 2.380 261 S HA -0.276 4.194 4.470 0.000 0.000 0.229 261 S C 1.626 176.220 174.600 -0.010 0.000 1.043 261 S CA 1.808 60.008 58.200 -0.001 0.000 1.038 261 S CB -0.598 62.601 63.200 -0.002 0.000 0.872 261 S HN 0.238 nan 8.310 nan 0.000 0.456 262 D N 1.785 122.180 120.400 -0.008 0.000 2.110 262 D HA -0.008 4.632 4.640 0.000 0.000 0.202 262 D C 1.996 178.276 176.300 -0.034 0.000 0.975 262 D CA 1.521 55.507 54.000 -0.023 0.000 0.839 262 D CB -0.450 40.342 40.800 -0.013 0.000 0.996 262 D HN 0.609 nan 8.370 nan 0.000 0.464 263 K N 1.101 121.500 120.400 -0.002 0.000 2.044 263 K HA -0.182 4.138 4.320 0.000 0.000 0.210 263 K C 1.358 177.949 176.600 -0.014 0.000 1.049 263 K CA 1.856 58.147 56.287 0.007 0.000 0.927 263 K CB -0.053 32.490 32.500 0.071 0.000 0.713 263 K HN -0.038 nan 8.250 nan 0.000 0.443 264 D N 0.272 120.673 120.400 0.002 0.000 2.178 264 D HA -0.130 4.510 4.640 0.000 0.000 0.201 264 D C 1.861 178.155 176.300 -0.009 0.000 0.980 264 D CA 1.351 55.355 54.000 0.006 0.000 0.842 264 D CB -0.096 40.711 40.800 0.011 0.000 0.948 264 D HN 0.479 nan 8.370 nan 0.000 0.472 265 A N 1.370 124.171 122.820 -0.033 0.000 1.854 265 A HA -0.101 4.220 4.320 0.000 0.000 0.214 265 A C 2.375 179.917 177.584 -0.069 0.000 1.192 265 A CA 0.630 52.638 52.037 -0.048 0.000 0.611 265 A CB -0.733 18.231 19.000 -0.060 0.000 0.832 265 A HN 0.115 nan 8.150 nan 0.000 0.442 266 I N -0.176 120.322 120.570 -0.120 0.000 2.185 266 I HA -0.287 3.883 4.170 0.000 0.000 0.246 266 I C 2.368 178.451 176.117 -0.057 0.000 1.088 266 I CA 1.518 62.702 61.300 -0.192 0.000 1.347 266 I CB -0.525 37.215 38.000 -0.434 0.000 1.041 266 I HN 0.164 nan 8.210 nan 0.000 0.415 267 V N 1.335 121.244 119.914 -0.009 0.000 2.307 267 V HA -0.305 3.816 4.120 0.000 0.000 0.245 267 V C 2.368 178.549 176.094 0.146 0.000 1.045 267 V CA 2.339 64.725 62.300 0.143 0.000 1.024 267 V CB -0.957 30.936 31.823 0.117 0.000 0.651 267 V HN 0.592 nan 8.190 nan 0.000 0.449 268 N N 0.694 119.431 118.700 0.062 0.000 2.149 268 N HA -0.224 4.516 4.740 0.000 0.000 0.188 268 N C 1.835 177.368 175.510 0.038 0.000 1.019 268 N CA 1.746 54.825 53.050 0.048 0.000 0.857 268 N CB -0.029 38.468 38.487 0.016 0.000 0.997 268 N HN 0.454 nan 8.380 nan 0.000 0.426 269 A N 0.713 123.526 122.820 -0.011 0.000 1.865 269 A HA -0.157 4.163 4.320 0.000 0.000 0.217 269 A C 2.038 179.588 177.584 -0.057 0.000 1.191 269 A CA 1.341 53.323 52.037 -0.091 0.000 0.623 269 A CB -1.486 17.386 19.000 -0.214 0.000 0.826 269 A HN 0.580 nan 8.150 nan 0.000 0.444 270 W N 0.643 121.965 121.300 0.036 0.000 2.318 270 W HA -0.236 4.424 4.660 0.000 0.000 0.313 270 W C 2.462 179.022 176.519 0.069 0.000 1.221 270 W CA 1.879 59.272 57.345 0.080 0.000 1.266 270 W CB -0.020 29.516 29.460 0.127 0.000 1.150 270 W HN 0.343 nan 8.180 nan 0.000 0.496 271 K N -0.171 120.409 120.400 0.300 0.000 2.147 271 K HA -0.229 4.091 4.320 0.000 0.000 0.205 271 K C 1.737 178.415 176.600 0.130 0.000 1.049 271 K CA 1.472 57.873 56.287 0.190 0.000 0.936 271 K CB -0.646 31.933 32.500 0.132 0.000 0.722 271 K HN 0.203 nan 8.250 nan 0.000 0.446 272 Q N 1.165 121.019 119.800 0.091 0.000 2.368 272 Q HA -0.057 4.283 4.340 0.000 0.000 0.210 272 Q C 0.024 176.055 176.000 0.051 0.000 0.982 272 Q CA 0.496 56.326 55.803 0.045 0.000 0.884 272 Q CB 0.125 28.863 28.738 0.001 0.000 0.933 272 Q HN 0.053 nan 8.270 nan 0.000 0.460 273 V N 2.078 122.051 119.914 0.098 0.000 2.637 273 V HA 0.008 4.128 4.120 0.000 0.000 0.296 273 V C 0.191 176.350 176.094 0.108 0.000 1.046 273 V CA -0.253 62.114 62.300 0.111 0.000 1.066 273 V CB 1.196 33.145 31.823 0.211 0.000 0.968 273 V HN 0.285 nan 8.190 nan 0.000 0.483 274 N N 3.664 122.411 118.700 0.077 0.000 2.511 274 N HA 0.308 5.048 4.740 0.000 0.000 0.249 274 N C 0.775 176.330 175.510 0.075 0.000 0.971 274 N CA 0.198 53.288 53.050 0.066 0.000 0.938 274 N CB 1.904 40.412 38.487 0.035 0.000 1.131 274 N HN 0.703 nan 8.380 nan 0.000 0.505 275 A N 4.985 127.862 122.820 0.094 0.000 1.903 275 A HA -0.253 4.067 4.320 0.000 0.000 0.219 275 A C 2.057 179.682 177.584 0.069 0.000 1.191 275 A CA 1.706 53.803 52.037 0.100 0.000 0.638 275 A CB -0.327 18.731 19.000 0.098 0.000 0.823 275 A HN 0.766 nan 8.150 nan 0.000 0.451 276 K N -0.084 120.345 120.400 0.048 0.000 2.001 276 K HA -0.184 4.136 4.320 0.000 0.000 0.214 276 K C 1.781 178.392 176.600 0.017 0.000 1.050 276 K CA 1.922 58.226 56.287 0.029 0.000 0.934 276 K CB -0.353 32.160 32.500 0.021 0.000 0.718 276 K HN 0.557 nan 8.250 nan 0.000 0.443 277 D N 0.198 120.604 120.400 0.009 0.000 2.133 277 D HA -0.208 4.432 4.640 0.000 0.000 0.195 277 D C 1.961 178.245 176.300 -0.027 0.000 0.997 277 D CA 1.133 55.123 54.000 -0.017 0.000 0.840 277 D CB -0.098 40.685 40.800 -0.028 0.000 0.947 277 D HN 0.139 nan 8.370 nan 0.000 0.452 278 M N 1.020 120.625 119.600 0.009 0.000 2.082 278 M HA -0.168 4.312 4.480 0.000 0.000 0.258 278 M C 2.505 178.835 176.300 0.050 0.000 1.071 278 M CA 1.209 56.532 55.300 0.039 0.000 1.103 278 M CB -1.104 31.572 32.600 0.126 0.000 1.307 278 M HN -0.018 nan 8.290 nan 0.000 0.409 279 A N 0.298 123.152 122.820 0.057 0.000 1.927 279 A HA -0.267 4.053 4.320 0.000 0.000 0.220 279 A C 1.880 179.479 177.584 0.025 0.000 1.185 279 A CA 2.542 54.608 52.037 0.047 0.000 0.639 279 A CB -1.352 17.670 19.000 0.036 0.000 0.820 279 A HN 0.717 nan 8.150 nan 0.000 0.451 280 N N -1.023 117.679 118.700 0.003 0.000 2.106 280 N HA -0.126 4.614 4.740 0.000 0.000 0.188 280 N C 1.833 177.324 175.510 -0.031 0.000 1.029 280 N CA 1.405 54.448 53.050 -0.012 0.000 0.848 280 N CB -0.176 38.297 38.487 -0.022 0.000 1.007 280 N HN 0.555 nan 8.380 nan 0.000 0.423 281 K N 1.009 121.368 120.400 -0.068 0.000 2.015 281 K HA -0.146 4.174 4.320 0.000 0.000 0.216 281 K C 1.815 178.384 176.600 -0.051 0.000 1.052 281 K CA 1.278 57.480 56.287 -0.141 0.000 0.937 281 K CB -0.085 32.223 32.500 -0.320 0.000 0.719 281 K HN 0.089 nan 8.250 nan 0.000 0.446 282 I N 0.488 121.083 120.570 0.043 0.000 2.163 282 I HA -0.211 3.960 4.170 0.000 0.000 0.243 282 I C 2.471 178.555 176.117 -0.056 0.000 1.085 282 I CA 1.872 63.191 61.300 0.031 0.000 1.347 282 I CB -1.548 36.494 38.000 0.070 0.000 1.044 282 I HN 0.450 nan 8.210 nan 0.000 0.408 283 G N 1.392 110.202 108.800 0.017 0.000 2.469 283 G HA2 -0.272 3.688 3.960 0.000 0.000 0.220 283 G HA3 -0.272 3.688 3.960 0.000 0.000 0.220 283 G C 1.245 176.171 174.900 0.044 0.000 1.136 283 G CA 0.692 45.824 45.100 0.053 0.000 0.759 283 G HN 0.372 nan 8.290 nan 0.000 0.562 284 N N 0.278 118.981 118.700 0.006 0.000 2.515 284 N HA 0.100 4.841 4.740 0.000 0.000 0.191 284 N C 1.818 177.334 175.510 0.011 0.000 1.182 284 N CA 0.095 53.150 53.050 0.007 0.000 0.879 284 N CB 0.073 38.553 38.487 -0.013 0.000 0.984 284 N HN 0.323 nan 8.380 nan 0.000 0.453 285 L N -1.123 120.090 121.223 -0.016 0.000 2.270 285 L HA 0.186 4.526 4.340 0.000 0.000 0.210 285 L C 1.008 177.961 176.870 0.139 0.000 1.104 285 L CA 0.250 55.073 54.840 -0.028 0.000 0.804 285 L CB -0.168 41.664 42.059 -0.379 0.000 0.937 285 L HN 0.195 nan 8.230 nan 0.000 0.450 286 G N -1.219 107.705 108.800 0.207 0.000 2.350 286 G HA2 0.028 3.988 3.960 0.000 0.000 0.304 286 G HA3 0.028 3.988 3.960 0.000 0.000 0.304 286 G C -0.365 174.661 174.900 0.210 0.000 1.421 286 G CA -0.530 44.699 45.100 0.214 0.000 0.934 286 G HN -0.136 nan 8.290 nan 0.000 0.632 287 K N 0.551 121.021 120.400 0.117 0.000 2.113 287 K HA 0.062 4.382 4.320 0.000 0.000 0.208 287 K C 2.701 179.325 176.600 0.040 0.000 1.047 287 K CA 2.395 58.723 56.287 0.068 0.000 0.928 287 K CB -0.560 31.963 32.500 0.040 0.000 0.716 287 K HN 0.942 nan 8.250 nan 0.000 0.446 288 A N 0.246 123.070 122.820 0.007 0.000 2.024 288 A HA -0.086 4.234 4.320 0.000 0.000 0.220 288 A C 1.644 179.077 177.584 -0.252 0.000 1.164 288 A CA 1.173 53.123 52.037 -0.146 0.000 0.643 288 A CB -0.739 18.119 19.000 -0.237 0.000 0.806 288 A HN 0.318 nan 8.150 nan 0.000 0.451 289 F N -0.707 119.241 119.950 -0.004 0.000 2.789 289 F HA 0.172 4.699 4.527 0.000 0.000 0.300 289 F C 0.688 176.469 175.800 -0.031 0.000 1.132 289 F CA 0.399 58.391 58.000 -0.013 0.000 1.404 289 F CB 0.211 39.217 39.000 0.010 0.000 1.114 289 F HN -0.107 nan 8.300 nan 0.000 0.584 290 K N 1.649 122.110 120.400 0.102 0.000 2.243 290 K HA 0.131 4.451 4.320 0.000 0.000 0.232 290 K C -0.040 176.555 176.600 -0.010 0.000 1.237 290 K CA -0.121 56.193 56.287 0.045 0.000 1.161 290 K CB -0.420 32.098 32.500 0.030 0.000 1.505 290 K HN 0.093 nan 8.250 nan 0.000 0.271 291 V N -1.372 118.525 119.914 -0.028 0.000 3.109 291 V HA 0.747 4.867 4.120 0.000 0.000 0.317 291 V C 0.306 176.355 176.094 -0.075 0.000 1.074 291 V CA -1.400 60.857 62.300 -0.073 0.000 1.033 291 V CB 1.493 33.237 31.823 -0.130 0.000 1.111 291 V HN 0.393 nan 8.190 nan 0.000 0.458 292 A N 1.139 123.911 122.820 -0.080 0.000 2.425 292 A HA 0.411 4.731 4.320 0.000 0.000 0.249 292 A C 0.532 178.064 177.584 -0.087 0.000 1.084 292 A CA 0.447 52.445 52.037 -0.065 0.000 0.781 292 A CB -0.573 18.400 19.000 -0.044 0.000 1.019 292 A HN 1.305 nan 8.150 nan 0.000 0.490 293 D N 0.728 121.094 120.400 -0.057 0.000 2.708 293 D HA -0.172 4.468 4.640 0.000 0.000 0.236 293 D C 0.892 177.145 176.300 -0.078 0.000 1.146 293 D CA 0.933 54.902 54.000 -0.051 0.000 0.662 293 D CB -1.032 39.744 40.800 -0.040 0.000 1.059 293 D HN 0.624 nan 8.370 nan 0.000 0.428 294 L N 0.347 121.526 121.223 -0.074 0.000 1.978 294 L HA -0.293 4.047 4.340 0.000 0.000 0.218 294 L C 2.608 179.456 176.870 -0.036 0.000 1.075 294 L CA 2.426 57.219 54.840 -0.079 0.000 0.767 294 L CB -0.336 41.705 42.059 -0.030 0.000 0.890 294 L HN 0.325 nan 8.230 nan 0.000 0.434 295 A N -0.345 122.475 122.820 -0.001 0.000 2.024 295 A HA -0.214 4.107 4.320 0.000 0.000 0.220 295 A C 1.933 179.543 177.584 0.043 0.000 1.164 295 A CA 1.514 53.569 52.037 0.030 0.000 0.643 295 A CB -0.500 18.517 19.000 0.029 0.000 0.806 295 A HN 0.436 nan 8.150 nan 0.000 0.451 296 I N 0.406 120.992 120.570 0.026 0.000 2.202 296 I HA -0.195 3.975 4.170 0.000 0.000 0.242 296 I C 2.231 178.401 176.117 0.089 0.000 1.091 296 I CA 1.300 62.629 61.300 0.049 0.000 1.368 296 I CB -1.378 36.644 38.000 0.036 0.000 1.058 296 I HN 0.332 nan 8.210 nan 0.000 0.410 297 K N 0.767 121.196 120.400 0.049 0.000 2.044 297 K HA -0.150 4.170 4.320 0.000 0.000 0.210 297 K C 2.187 178.933 176.600 0.244 0.000 1.049 297 K CA 1.493 57.856 56.287 0.127 0.000 0.927 297 K CB -0.853 31.439 32.500 -0.345 0.000 0.713 297 K HN 0.209 nan 8.250 nan 0.000 0.443 298 V N 1.989 121.991 119.914 0.148 0.000 2.233 298 V HA -0.277 3.843 4.120 0.000 0.000 0.247 298 V C 2.525 178.740 176.094 0.201 0.000 1.050 298 V CA 2.064 64.487 62.300 0.204 0.000 1.010 298 V CB -0.580 31.342 31.823 0.165 0.000 0.637 298 V HN 0.435 nan 8.190 nan 0.000 0.444 299 E N 0.100 120.389 120.200 0.149 0.000 2.086 299 E HA -0.291 4.059 4.350 0.000 0.000 0.200 299 E C 2.284 178.946 176.600 0.104 0.000 1.012 299 E CA 1.627 58.101 56.400 0.122 0.000 0.812 299 E CB -0.062 29.692 29.700 0.091 0.000 0.743 299 E HN 0.534 nan 8.360 nan 0.000 0.453 300 K N 0.125 120.598 120.400 0.120 0.000 2.147 300 K HA -0.124 4.196 4.320 0.000 0.000 0.205 300 K C 2.170 178.797 176.600 0.044 0.000 1.049 300 K CA 0.696 57.034 56.287 0.086 0.000 0.936 300 K CB -0.074 32.496 32.500 0.116 0.000 0.722 300 K HN 0.287 nan 8.250 nan 0.000 0.446 301 I N 1.064 121.700 120.570 0.109 0.000 2.226 301 I HA -0.234 3.936 4.170 0.000 0.000 0.245 301 I C 2.533 178.539 176.117 -0.184 0.000 1.100 301 I CA 1.195 62.517 61.300 0.037 0.000 1.374 301 I CB -0.824 37.313 38.000 0.228 0.000 1.057 301 I HN 0.226 nan 8.210 nan 0.000 0.413 302 R N 1.335 121.780 120.500 -0.091 0.000 2.061 302 R HA -0.196 4.144 4.340 0.000 0.000 0.230 302 R C 2.357 178.533 176.300 -0.206 0.000 1.140 302 R CA 1.902 57.888 56.100 -0.190 0.000 0.940 302 R CB -0.132 30.269 30.300 0.169 0.000 0.839 302 R HN 0.559 nan 8.270 nan 0.000 0.429 303 E N 0.835 120.992 120.200 -0.071 0.000 2.058 303 E HA -0.243 4.107 4.350 0.000 0.000 0.194 303 E C 1.642 178.175 176.600 -0.111 0.000 0.997 303 E CA 1.508 57.873 56.400 -0.059 0.000 0.801 303 E CB -0.239 29.453 29.700 -0.014 0.000 0.746 303 E HN 0.349 nan 8.360 nan 0.000 0.450 304 K N 0.601 120.925 120.400 -0.128 0.000 2.217 304 K HA 0.007 4.327 4.320 0.000 0.000 0.202 304 K C 2.410 178.908 176.600 -0.171 0.000 1.051 304 K CA 0.965 57.170 56.287 -0.137 0.000 0.952 304 K CB -0.080 32.354 32.500 -0.109 0.000 0.736 304 K HN 0.007 nan 8.250 nan 0.000 0.453 305 S N 1.339 116.871 115.700 -0.279 0.000 2.355 305 S HA -0.073 4.397 4.470 0.000 0.000 0.222 305 S C 1.948 176.448 174.600 -0.167 0.000 1.031 305 S CA 0.911 58.919 58.200 -0.320 0.000 0.993 305 S CB -0.134 62.349 63.200 -1.196 0.000 0.859 305 S HN 0.159 nan 8.310 nan 0.000 0.453 306 I N 1.439 121.877 120.570 -0.219 0.000 2.099 306 I HA -0.247 3.923 4.170 0.000 0.000 0.239 306 I C 2.615 178.715 176.117 -0.029 0.000 1.066 306 I CA 1.906 63.216 61.300 0.017 0.000 1.324 306 I CB -0.456 37.559 38.000 0.024 0.000 1.037 306 I HN 0.452 nan 8.210 nan 0.000 0.401 307 E N 1.037 121.159 120.200 -0.130 0.000 2.147 307 E HA -0.236 4.114 4.350 0.000 0.000 0.199 307 E C 2.193 178.554 176.600 -0.398 0.000 1.005 307 E CA 1.644 57.928 56.400 -0.193 0.000 0.810 307 E CB -0.506 29.091 29.700 -0.171 0.000 0.736 307 E HN 0.515 nan 8.360 nan 0.000 0.460 308 G N -0.105 108.278 108.800 -0.696 0.000 2.459 308 G HA2 -0.302 3.658 3.960 0.000 0.000 0.217 308 G HA3 -0.302 3.658 3.960 0.000 0.000 0.217 308 G C 1.039 175.140 174.900 -1.332 0.000 1.183 308 G CA 1.202 45.279 45.100 -1.706 0.000 0.776 308 G HN 0.325 nan 8.290 nan 0.000 0.552 309 Y N 2.008 122.003 120.300 -0.509 0.000 2.040 309 Y HA -0.214 4.336 4.550 0.000 0.000 0.275 309 Y C 2.672 178.517 175.900 -0.091 0.000 1.171 309 Y CA 1.807 59.883 58.100 -0.041 0.000 1.123 309 Y CB -0.607 37.955 38.460 0.171 0.000 0.963 309 Y HN 0.434 nan 8.280 nan 0.000 0.493 310 N N -1.065 117.657 118.700 0.038 0.000 2.501 310 N HA -0.041 4.700 4.740 0.000 0.000 0.195 310 N C 0.810 176.274 175.510 -0.077 0.000 1.213 310 N CA 1.066 54.118 53.050 0.003 0.000 0.864 310 N CB -0.142 38.357 38.487 0.020 0.000 0.999 310 N HN 0.470 nan 8.380 nan 0.000 0.454 311 T N -5.614 108.831 114.554 -0.182 0.000 3.092 311 T HA 0.303 4.654 4.350 0.000 0.000 0.273 311 T C 1.344 175.906 174.700 -0.229 0.000 0.898 311 T CA 0.560 62.550 62.100 -0.183 0.000 0.868 311 T CB 0.202 68.956 68.868 -0.190 0.000 1.228 311 T HN 0.219 nan 8.240 nan 0.000 0.555 312 G N 1.925 110.510 108.800 -0.357 0.000 2.184 312 G HA2 -0.279 3.681 3.960 0.000 0.000 0.264 312 G HA3 -0.279 3.681 3.960 0.000 0.000 0.264 312 G C -0.046 174.583 174.900 -0.453 0.000 0.975 312 G CA 0.245 45.149 45.100 -0.327 0.000 0.642 312 G HN 0.859 nan 8.290 nan 0.000 0.536 313 N N -0.144 118.248 118.700 -0.514 0.000 2.414 313 N HA 0.492 5.232 4.740 0.000 0.000 0.256 313 N C 0.531 175.742 175.510 -0.498 0.000 1.029 313 N CA -0.565 52.268 53.050 -0.362 0.000 0.948 313 N CB 0.241 38.612 38.487 -0.193 0.000 1.102 313 N HN 0.342 nan 8.380 nan 0.000 0.496 314 W N 1.598 122.867 121.300 -0.051 0.000 2.998 314 W HA 0.327 4.987 4.660 0.000 0.000 0.336 314 W C 1.970 178.462 176.519 -0.046 0.000 1.112 314 W CA -0.549 56.756 57.345 -0.066 0.000 1.682 314 W CB 0.383 29.822 29.460 -0.035 0.000 1.065 314 W HN 0.673 nan 8.180 nan 0.000 0.570 315 G N 2.618 111.525 108.800 0.179 0.000 2.529 315 G HA2 -0.284 3.676 3.960 0.000 0.000 0.219 315 G HA3 -0.284 3.676 3.960 0.000 0.000 0.219 315 G C -0.583 174.488 174.900 0.284 0.000 1.177 315 G CA 1.359 46.640 45.100 0.302 0.000 0.773 315 G HN 0.053 nan 8.290 nan 0.000 0.573 316 P HA -0.121 nan 4.420 nan 0.000 0.216 316 P C 2.028 179.313 177.300 -0.024 0.000 1.154 316 P CA 0.728 63.832 63.100 0.007 0.000 0.865 316 P CB -0.128 31.543 31.700 -0.048 0.000 0.789 317 L N -0.665 120.559 121.223 0.001 0.000 1.961 317 L HA -0.151 4.189 4.340 0.000 0.000 0.210 317 L C 2.504 179.271 176.870 -0.171 0.000 1.072 317 L CA 1.838 56.620 54.840 -0.096 0.000 0.749 317 L CB -1.472 40.579 42.059 -0.013 0.000 0.889 317 L HN -0.166 nan 8.230 nan 0.000 0.432 318 L N -1.183 120.033 121.223 -0.011 0.000 2.043 318 L HA -0.259 4.081 4.340 0.000 0.000 0.212 318 L C 2.576 179.552 176.870 0.177 0.000 1.075 318 L CA 1.149 56.066 54.840 0.128 0.000 0.752 318 L CB -0.985 41.096 42.059 0.036 0.000 0.891 318 L HN 0.360 nan 8.230 nan 0.000 0.432 319 L N 0.548 121.891 121.223 0.200 0.000 2.083 319 L HA -0.213 4.127 4.340 0.000 0.000 0.209 319 L C 2.522 179.279 176.870 -0.188 0.000 1.083 319 L CA 1.830 56.675 54.840 0.008 0.000 0.752 319 L CB -0.684 41.293 42.059 -0.137 0.000 0.899 319 L HN 0.230 nan 8.230 nan 0.000 0.433 320 E N -0.752 119.275 120.200 -0.288 0.000 2.058 320 E HA -0.179 4.172 4.350 0.000 0.000 0.194 320 E C 2.097 178.119 176.600 -0.962 0.000 0.997 320 E CA 2.021 58.132 56.400 -0.481 0.000 0.801 320 E CB -0.478 28.962 29.700 -0.433 0.000 0.746 320 E HN 0.296 nan 8.360 nan 0.000 0.450 321 V N 1.383 120.629 119.914 -1.115 0.000 2.255 321 V HA -0.263 3.857 4.120 0.000 0.000 0.247 321 V C 2.447 178.102 176.094 -0.731 0.000 1.051 321 V CA 2.302 63.765 62.300 -1.394 0.000 1.018 321 V CB -0.645 30.424 31.823 -1.258 0.000 0.641 321 V HN 0.339 nan 8.190 nan 0.000 0.445 322 E N 0.285 120.232 120.200 -0.422 0.000 2.130 322 E HA -0.250 4.100 4.350 0.000 0.000 0.196 322 E C 2.503 179.027 176.600 -0.126 0.000 0.998 322 E CA 1.779 58.067 56.400 -0.187 0.000 0.806 322 E CB -0.268 29.425 29.700 -0.012 0.000 0.738 322 E HN 0.705 nan 8.360 nan 0.000 0.459 323 S N 0.481 116.074 115.700 -0.179 0.000 2.359 323 S HA -0.211 4.259 4.470 0.000 0.000 0.222 323 S C 1.763 176.416 174.600 0.088 0.000 1.038 323 S CA 1.491 59.652 58.200 -0.065 0.000 1.051 323 S CB -0.667 62.481 63.200 -0.087 0.000 0.944 323 S HN 0.339 nan 8.310 nan 0.000 0.433 324 W N 1.700 122.954 121.300 -0.076 0.000 2.290 324 W HA -0.134 4.527 4.660 0.000 0.000 0.318 324 W C 2.454 178.939 176.519 -0.056 0.000 1.248 324 W CA 0.599 57.905 57.345 -0.066 0.000 1.263 324 W CB -1.470 27.937 29.460 -0.088 0.000 1.147 324 W HN 0.369 nan 8.180 nan 0.000 0.494 325 I N 0.183 120.866 120.570 0.188 0.000 2.142 325 I HA -0.302 3.868 4.170 0.000 0.000 0.240 325 I C 2.519 178.673 176.117 0.061 0.000 1.078 325 I CA 1.556 62.911 61.300 0.091 0.000 1.343 325 I CB -1.023 36.998 38.000 0.036 0.000 1.046 325 I HN -0.078 nan 8.210 nan 0.000 0.405 326 I N 1.248 121.846 120.570 0.046 0.000 2.423 326 I HA -0.163 4.007 4.170 0.000 0.000 0.254 326 I C 1.954 178.093 176.117 0.036 0.000 1.151 326 I CA 2.121 63.439 61.300 0.031 0.000 1.421 326 I CB -1.310 36.700 38.000 0.016 0.000 1.079 326 I HN 0.177 nan 8.210 nan 0.000 0.431 327 G N 0.086 108.921 108.800 0.058 0.000 3.026 327 G HA2 0.325 4.285 3.960 0.000 0.000 0.208 327 G HA3 0.325 4.285 3.960 0.000 0.000 0.208 327 G C 1.179 176.104 174.900 0.041 0.000 1.169 327 G CA 0.458 45.590 45.100 0.054 0.000 0.788 327 G HN 0.808 nan 8.290 nan 0.000 0.533 328 G N -1.392 107.431 108.800 0.038 0.000 2.316 328 G HA2 -0.218 3.742 3.960 0.000 0.000 0.203 328 G HA3 -0.218 3.742 3.960 0.000 0.000 0.203 328 G C 0.218 175.129 174.900 0.018 0.000 0.999 328 G CA -0.060 45.055 45.100 0.024 0.000 0.649 328 G HN 0.606 nan 8.290 nan 0.000 0.489 329 V N 2.910 122.840 119.914 0.027 0.000 2.508 329 V HA 0.437 4.557 4.120 0.000 0.000 0.281 329 V C 1.337 177.447 176.094 0.027 0.000 1.041 329 V CA -0.503 61.804 62.300 0.012 0.000 1.016 329 V CB 1.481 33.308 31.823 0.007 0.000 0.984 329 V HN 0.415 nan 8.190 nan 0.000 0.478 330 V N 4.989 124.906 119.914 0.004 0.000 2.617 330 V HA 0.074 4.194 4.120 0.000 0.000 0.304 330 V C 1.691 177.816 176.094 0.050 0.000 1.040 330 V CA 0.658 62.968 62.300 0.017 0.000 1.149 330 V CB -0.055 31.764 31.823 -0.007 0.000 0.914 330 V HN 1.105 nan 8.190 nan 0.000 0.487 331 A N 4.884 127.756 122.820 0.086 0.000 1.896 331 A HA -0.213 4.107 4.320 0.000 0.000 0.220 331 A C 2.323 180.017 177.584 0.182 0.000 1.206 331 A CA 2.561 54.684 52.037 0.144 0.000 0.647 331 A CB -1.383 17.754 19.000 0.228 0.000 0.828 331 A HN 1.182 nan 8.150 nan 0.000 0.455 332 G N -0.977 107.983 108.800 0.267 0.000 2.440 332 G HA2 -0.143 3.817 3.960 0.000 0.000 0.218 332 G HA3 -0.143 3.817 3.960 0.000 0.000 0.218 332 G C 1.525 176.446 174.900 0.036 0.000 1.154 332 G CA 1.465 46.705 45.100 0.232 0.000 0.767 332 G HN 0.416 nan 8.290 nan 0.000 0.552 333 V N 1.642 121.549 119.914 -0.012 0.000 2.295 333 V HA -0.121 3.999 4.120 0.000 0.000 0.246 333 V C 3.348 179.434 176.094 -0.013 0.000 1.049 333 V CA 1.982 64.216 62.300 -0.110 0.000 1.024 333 V CB -1.115 30.615 31.823 -0.155 0.000 0.648 333 V HN 0.491 nan 8.190 nan 0.000 0.447 334 A N 0.169 123.027 122.820 0.062 0.000 1.903 334 A HA -0.244 4.076 4.320 0.000 0.000 0.219 334 A C 2.244 179.974 177.584 0.244 0.000 1.191 334 A CA 2.260 54.429 52.037 0.219 0.000 0.638 334 A CB -0.621 18.489 19.000 0.184 0.000 0.823 334 A HN 0.421 nan 8.150 nan 0.000 0.451 335 I N -0.116 120.498 120.570 0.073 0.000 2.179 335 I HA -0.202 3.968 4.170 0.000 0.000 0.242 335 I C 2.689 178.909 176.117 0.173 0.000 1.088 335 I CA 1.926 63.267 61.300 0.069 0.000 1.357 335 I CB -1.073 36.824 38.000 -0.172 0.000 1.051 335 I HN 0.301 nan 8.210 nan 0.000 0.409 336 S N 1.017 116.788 115.700 0.117 0.000 2.359 336 S HA -0.199 4.271 4.470 0.000 0.000 0.224 336 S C 1.924 176.752 174.600 0.379 0.000 1.035 336 S CA 1.182 59.502 58.200 0.199 0.000 1.018 336 S CB -0.561 62.718 63.200 0.132 0.000 0.876 336 S HN 0.291 nan 8.310 nan 0.000 0.448 337 L N 1.302 122.774 121.223 0.415 0.000 2.013 337 L HA -0.081 4.259 4.340 0.000 0.000 0.212 337 L C 1.949 179.083 176.870 0.441 0.000 1.073 337 L CA 1.727 56.843 54.840 0.459 0.000 0.753 337 L CB -1.227 40.987 42.059 0.259 0.000 0.890 337 L HN 0.265 nan 8.230 nan 0.000 0.432 338 F N 0.657 120.797 119.950 0.317 0.000 2.046 338 F HA -0.115 4.412 4.527 0.000 0.000 0.297 338 F C 2.352 178.244 175.800 0.154 0.000 1.123 338 F CA 1.641 59.801 58.000 0.267 0.000 1.199 338 F CB -1.301 37.787 39.000 0.146 0.000 0.972 338 F HN 0.162 nan 8.300 nan 0.000 0.474 339 G N -0.281 108.542 108.800 0.038 0.000 2.476 339 G HA2 -0.286 3.674 3.960 0.000 0.000 0.218 339 G HA3 -0.286 3.674 3.960 0.000 0.000 0.218 339 G C 1.884 176.680 174.900 -0.174 0.000 1.164 339 G CA 1.643 46.653 45.100 -0.151 0.000 0.768 339 G HN 0.699 nan 8.290 nan 0.000 0.560 340 A N 0.123 122.852 122.820 -0.151 0.000 1.873 340 A HA -0.047 4.273 4.320 0.000 0.000 0.218 340 A C 2.662 179.933 177.584 -0.521 0.000 1.193 340 A CA 2.421 54.182 52.037 -0.460 0.000 0.629 340 A CB -0.931 17.838 19.000 -0.384 0.000 0.826 340 A HN 0.368 nan 8.150 nan 0.000 0.447 341 V N 0.173 120.037 119.914 -0.084 0.000 2.255 341 V HA -0.313 3.807 4.120 0.000 0.000 0.247 341 V C 2.570 178.739 176.094 0.125 0.000 1.051 341 V CA 2.087 64.470 62.300 0.138 0.000 1.018 341 V CB -0.974 31.056 31.823 0.344 0.000 0.641 341 V HN 0.580 nan 8.190 nan 0.000 0.445 342 L N 0.992 122.267 121.223 0.086 0.000 1.997 342 L HA -0.258 4.082 4.340 0.000 0.000 0.216 342 L C 2.729 179.589 176.870 -0.017 0.000 1.074 342 L CA 2.370 57.261 54.840 0.085 0.000 0.763 342 L CB -0.785 41.212 42.059 -0.103 0.000 0.890 342 L HN 0.638 nan 8.230 nan 0.000 0.434 343 S N -1.023 114.588 115.700 -0.148 0.000 2.474 343 S HA -0.120 4.350 4.470 0.000 0.000 0.235 343 S C 1.549 176.116 174.600 -0.056 0.000 0.997 343 S CA 0.651 58.754 58.200 -0.161 0.000 0.949 343 S CB -0.457 62.581 63.200 -0.271 0.000 0.766 343 S HN 0.272 nan 8.310 nan 0.000 0.517 344 F N 1.200 121.124 119.950 -0.043 0.000 2.797 344 F HA 0.478 5.005 4.527 0.000 0.000 0.302 344 F C 0.816 176.537 175.800 -0.132 0.000 1.130 344 F CA -1.781 56.178 58.000 -0.067 0.000 1.387 344 F CB -0.883 38.094 39.000 -0.038 0.000 1.107 344 F HN 0.216 nan 8.300 nan 0.000 0.577 345 L N 2.957 124.148 121.223 -0.053 0.000 2.485 345 L HA 0.192 4.532 4.340 0.000 0.000 0.275 345 L C -2.281 174.475 176.870 -0.190 0.000 1.207 345 L CA -1.296 53.368 54.840 -0.294 0.000 0.855 345 L CB -0.064 41.639 42.059 -0.594 0.000 1.114 345 L HN -0.195 nan 8.230 nan 0.000 0.485 346 P HA 0.230 nan 4.420 nan 0.000 0.292 346 P C 0.566 177.765 177.300 -0.169 0.000 1.326 346 P CA -0.160 62.851 63.100 -0.149 0.000 0.787 346 P CB 0.644 32.270 31.700 -0.123 0.000 0.903 347 I N -0.291 120.188 120.570 -0.152 0.000 3.419 347 I HA 0.069 4.239 4.170 0.000 0.000 0.286 347 I C 0.810 176.834 176.117 -0.156 0.000 1.268 347 I CA 0.095 61.287 61.300 -0.179 0.000 1.414 347 I CB -0.055 37.811 38.000 -0.223 0.000 1.074 347 I HN 0.120 nan 8.210 nan 0.000 0.457 348 S N 1.752 117.384 115.700 -0.115 0.000 2.552 348 S HA 0.360 4.830 4.470 0.000 0.000 0.289 348 S C 1.274 175.824 174.600 -0.084 0.000 1.304 348 S CA 0.848 58.997 58.200 -0.085 0.000 1.063 348 S CB 0.048 63.213 63.200 -0.058 0.000 0.848 348 S HN 0.970 nan 8.310 nan 0.000 0.499 349 G N 3.170 111.928 108.800 -0.071 0.000 2.157 349 G HA2 -0.178 3.782 3.960 0.000 0.000 0.239 349 G HA3 -0.178 3.782 3.960 0.000 0.000 0.239 349 G C -0.162 174.692 174.900 -0.076 0.000 0.982 349 G CA 0.278 45.340 45.100 -0.063 0.000 0.650 349 G HN 0.707 nan 8.290 nan 0.000 0.527 350 L N 0.070 121.231 121.223 -0.102 0.000 2.333 350 L HA 0.867 5.207 4.340 0.000 0.000 0.269 350 L C 0.675 177.479 176.870 -0.111 0.000 1.010 350 L CA -0.699 54.073 54.840 -0.114 0.000 0.818 350 L CB 1.955 43.922 42.059 -0.154 0.000 1.306 350 L HN 0.266 nan 8.230 nan 0.000 0.430 351 A N 0.933 123.697 122.820 -0.094 0.000 2.281 351 A HA 0.418 4.738 4.320 0.000 0.000 0.329 351 A C 0.837 178.362 177.584 -0.098 0.000 1.122 351 A CA -0.408 51.583 52.037 -0.077 0.000 0.850 351 A CB 1.371 20.343 19.000 -0.047 0.000 1.207 351 A HN 0.565 nan 8.150 nan 0.000 0.495 352 V N 0.918 120.789 119.914 -0.071 0.000 2.439 352 V HA -0.252 3.868 4.120 0.000 0.000 0.253 352 V C 2.552 178.600 176.094 -0.077 0.000 1.074 352 V CA 3.390 65.648 62.300 -0.070 0.000 1.076 352 V CB -0.982 30.839 31.823 -0.003 0.000 0.664 352 V HN 1.166 nan 8.190 nan 0.000 0.461 353 T N -1.712 112.808 114.554 -0.057 0.000 2.732 353 T HA -0.075 4.275 4.350 0.000 0.000 0.261 353 T C 2.016 176.678 174.700 -0.063 0.000 1.040 353 T CA 1.339 63.410 62.100 -0.049 0.000 1.145 353 T CB -0.827 68.025 68.868 -0.028 0.000 0.866 353 T HN 0.586 nan 8.240 nan 0.000 0.427 354 A N 1.748 124.524 122.820 -0.073 0.000 1.940 354 A HA 0.063 4.383 4.320 0.000 0.000 0.219 354 A C 2.506 180.021 177.584 -0.114 0.000 1.176 354 A CA 1.319 53.305 52.037 -0.085 0.000 0.631 354 A CB -1.048 17.893 19.000 -0.099 0.000 0.814 354 A HN 0.527 nan 8.150 nan 0.000 0.446 355 L N -0.887 120.244 121.223 -0.154 0.000 1.989 355 L HA -0.208 4.132 4.340 0.000 0.000 0.211 355 L C 2.848 179.590 176.870 -0.215 0.000 1.071 355 L CA 1.781 56.494 54.840 -0.213 0.000 0.749 355 L CB -1.218 40.673 42.059 -0.280 0.000 0.890 355 L HN 0.530 nan 8.230 nan 0.000 0.431 356 G N -0.619 108.071 108.800 -0.183 0.000 2.446 356 G HA2 -0.233 3.728 3.960 0.000 0.000 0.217 356 G HA3 -0.233 3.728 3.960 0.000 0.000 0.217 356 G C 1.626 176.456 174.900 -0.117 0.000 1.168 356 G CA 0.989 45.980 45.100 -0.182 0.000 0.771 356 G HN 0.220 nan 8.290 nan 0.000 0.551 357 V N 1.073 120.951 119.914 -0.060 0.000 2.219 357 V HA -0.222 3.898 4.120 0.000 0.000 0.248 357 V C 2.753 178.852 176.094 0.009 0.000 1.053 357 V CA 1.775 64.078 62.300 0.005 0.000 1.009 357 V CB -0.525 31.331 31.823 0.055 0.000 0.636 357 V HN 0.271 nan 8.190 nan 0.000 0.445 358 I N 1.133 121.702 120.570 -0.002 0.000 2.113 358 I HA -0.254 3.916 4.170 0.000 0.000 0.242 358 I C 2.542 178.647 176.117 -0.019 0.000 1.064 358 I CA 2.062 63.373 61.300 0.018 0.000 1.320 358 I CB -1.624 36.343 38.000 -0.055 0.000 1.028 358 I HN 0.340 nan 8.210 nan 0.000 0.406 359 G N 0.673 109.412 108.800 -0.102 0.000 2.459 359 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 359 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 359 G C 1.642 176.621 174.900 0.133 0.000 1.183 359 G CA 0.982 46.042 45.100 -0.067 0.000 0.776 359 G HN 0.325 nan 8.290 nan 0.000 0.552 360 I N 0.613 121.216 120.570 0.054 0.000 2.142 360 I HA -0.155 4.015 4.170 0.000 0.000 0.240 360 I C 2.939 178.969 176.117 -0.145 0.000 1.078 360 I CA 1.140 62.460 61.300 0.033 0.000 1.343 360 I CB -1.015 36.983 38.000 -0.003 0.000 1.046 360 I HN 0.138 nan 8.210 nan 0.000 0.405 361 M N 0.867 120.328 119.600 -0.230 0.000 2.163 361 M HA -0.217 4.264 4.480 0.000 0.000 0.258 361 M C 2.465 178.274 176.300 -0.819 0.000 1.071 361 M CA 2.210 57.153 55.300 -0.595 0.000 1.093 361 M CB -1.983 30.367 32.600 -0.416 0.000 1.285 361 M HN 0.287 nan 8.290 nan 0.000 0.420 362 T N 1.379 115.748 114.554 -0.308 0.000 2.565 362 T HA -0.204 4.146 4.350 0.000 0.000 0.265 362 T C 1.898 176.502 174.700 -0.161 0.000 1.082 362 T CA 1.855 63.894 62.100 -0.101 0.000 1.173 362 T CB -0.529 68.332 68.868 -0.012 0.000 0.864 362 T HN 0.128 nan 8.240 nan 0.000 0.425 363 I N 1.527 122.022 120.570 -0.125 0.000 2.194 363 I HA -0.172 3.998 4.170 0.000 0.000 0.246 363 I C 2.628 178.651 176.117 -0.156 0.000 1.093 363 I CA 1.101 62.331 61.300 -0.116 0.000 1.355 363 I CB -1.281 36.669 38.000 -0.084 0.000 1.046 363 I HN 0.200 nan 8.210 nan 0.000 0.413 364 S N -0.400 115.143 115.700 -0.262 0.000 2.357 364 S HA -0.165 4.305 4.470 0.000 0.000 0.221 364 S C 1.982 176.453 174.600 -0.216 0.000 1.031 364 S CA 0.924 58.958 58.200 -0.277 0.000 0.982 364 S CB -0.496 62.486 63.200 -0.362 0.000 0.853 364 S HN 0.354 nan 8.310 nan 0.000 0.458 365 Y N 2.158 122.374 120.300 -0.139 0.000 2.151 365 Y HA -0.123 4.428 4.550 0.000 0.000 0.284 365 Y C 2.152 178.089 175.900 0.061 0.000 1.166 365 Y CA 0.468 58.534 58.100 -0.056 0.000 1.163 365 Y CB -1.095 37.398 38.460 0.055 0.000 0.974 365 Y HN 0.157 nan 8.280 nan 0.000 0.511 366 L N -0.827 120.502 121.223 0.178 0.000 1.994 366 L HA -0.230 4.110 4.340 0.000 0.000 0.208 366 L C 2.418 179.347 176.870 0.098 0.000 1.071 366 L CA 1.760 56.690 54.840 0.151 0.000 0.745 366 L CB -0.834 41.229 42.059 0.007 0.000 0.892 366 L HN 0.123 nan 8.230 nan 0.000 0.431 367 S N -0.821 114.884 115.700 0.008 0.000 2.399 367 S HA -0.176 4.294 4.470 0.000 0.000 0.231 367 S C 2.147 176.741 174.600 -0.010 0.000 1.022 367 S CA 1.356 59.550 58.200 -0.010 0.000 0.983 367 S CB -0.371 62.802 63.200 -0.045 0.000 0.803 367 S HN 0.305 nan 8.310 nan 0.000 0.480 368 S N 1.139 116.803 115.700 -0.060 0.000 2.387 368 S HA -0.051 4.419 4.470 0.000 0.000 0.230 368 S C 1.342 175.833 174.600 -0.182 0.000 1.035 368 S CA 1.286 59.383 58.200 -0.172 0.000 1.014 368 S CB -0.380 62.641 63.200 -0.298 0.000 0.836 368 S HN 0.516 nan 8.310 nan 0.000 0.466 369 F N 0.303 120.269 119.950 0.026 0.000 2.569 369 F HA 0.305 4.832 4.527 0.000 0.000 0.295 369 F C 1.706 177.534 175.800 0.048 0.000 1.115 369 F CA 0.044 58.061 58.000 0.028 0.000 1.450 369 F CB -0.147 38.864 39.000 0.019 0.000 1.107 369 F HN 0.177 nan 8.300 nan 0.000 0.563 370 I N -1.626 119.061 120.570 0.194 0.000 3.649 370 I HA 0.016 4.186 4.170 0.000 0.000 0.234 370 I C 0.106 176.315 176.117 0.153 0.000 1.053 370 I CA 0.310 61.718 61.300 0.180 0.000 1.538 370 I CB 0.109 38.146 38.000 0.061 0.000 1.445 370 I HN -0.268 nan 8.210 nan 0.000 0.464 371 D N 0.629 121.077 120.400 0.080 0.000 2.425 371 D HA 0.391 5.031 4.640 0.000 0.000 0.240 371 D C 0.494 176.803 176.300 0.015 0.000 1.080 371 D CA -0.143 53.887 54.000 0.049 0.000 0.836 371 D CB 2.290 43.109 40.800 0.032 0.000 1.125 371 D HN 0.232 nan 8.370 nan 0.000 0.525 372 A N 4.302 127.129 122.820 0.013 0.000 1.902 372 A HA -0.219 4.101 4.320 0.000 0.000 0.217 372 A C 1.772 179.346 177.584 -0.017 0.000 1.181 372 A CA 1.474 53.505 52.037 -0.010 0.000 0.623 372 A CB -0.449 18.547 19.000 -0.006 0.000 0.818 372 A HN 0.684 nan 8.150 nan 0.000 0.443 373 N N -0.944 117.750 118.700 -0.009 0.000 2.166 373 N HA -0.158 4.582 4.740 0.000 0.000 0.186 373 N C 1.831 177.328 175.510 -0.023 0.000 1.019 373 N CA 1.285 54.326 53.050 -0.014 0.000 0.856 373 N CB -0.188 38.294 38.487 -0.008 0.000 0.993 373 N HN 0.285 nan 8.380 nan 0.000 0.426 374 R N 0.794 121.280 120.500 -0.024 0.000 2.127 374 R HA -0.038 4.302 4.340 0.000 0.000 0.238 374 R C 1.574 177.845 176.300 -0.048 0.000 1.134 374 R CA 0.643 56.721 56.100 -0.037 0.000 0.975 374 R CB -0.801 29.476 30.300 -0.038 0.000 0.865 374 R HN 0.108 nan 8.270 nan 0.000 0.447 375 V N 0.307 120.192 119.914 -0.049 0.000 2.332 375 V HA -0.296 3.824 4.120 0.000 0.000 0.248 375 V C 2.369 178.432 176.094 -0.052 0.000 1.055 375 V CA 2.071 64.335 62.300 -0.060 0.000 1.038 375 V CB -0.980 30.803 31.823 -0.067 0.000 0.651 375 V HN 0.572 nan 8.190 nan 0.000 0.450 376 S N 1.226 116.901 115.700 -0.040 0.000 2.359 376 S HA -0.351 4.120 4.470 0.000 0.000 0.223 376 S C 1.760 176.340 174.600 -0.034 0.000 1.039 376 S CA 2.371 60.551 58.200 -0.033 0.000 1.042 376 S CB -0.966 62.219 63.200 -0.026 0.000 0.915 376 S HN 0.669 nan 8.310 nan 0.000 0.439 377 N N 1.782 120.460 118.700 -0.037 0.000 2.049 377 N HA -0.114 4.627 4.740 0.000 0.000 0.198 377 N C 1.770 177.253 175.510 -0.044 0.000 1.030 377 N CA 2.229 55.255 53.050 -0.040 0.000 0.870 377 N CB -0.614 37.845 38.487 -0.048 0.000 1.045 377 N HN 0.507 nan 8.380 nan 0.000 0.434 378 I N 0.438 120.975 120.570 -0.055 0.000 2.118 378 I HA -0.303 3.867 4.170 0.000 0.000 0.241 378 I C 1.954 178.051 176.117 -0.035 0.000 1.070 378 I CA 1.161 62.428 61.300 -0.055 0.000 1.327 378 I CB -0.414 37.542 38.000 -0.073 0.000 1.034 378 I HN 0.197 nan 8.210 nan 0.000 0.405 379 N N 1.101 119.779 118.700 -0.037 0.000 2.137 379 N HA -0.192 4.549 4.740 0.000 0.000 0.190 379 N C 1.455 176.955 175.510 -0.017 0.000 1.017 379 N CA 1.340 54.373 53.050 -0.028 0.000 0.859 379 N CB -0.276 38.194 38.487 -0.029 0.000 1.002 379 N HN 0.317 nan 8.380 nan 0.000 0.428 380 N N 0.149 118.838 118.700 -0.018 0.000 2.309 380 N HA -0.090 4.650 4.740 0.000 0.000 0.182 380 N C 1.462 176.970 175.510 -0.004 0.000 1.018 380 N CA 0.831 53.874 53.050 -0.011 0.000 0.876 380 N CB -0.178 38.301 38.487 -0.014 0.000 0.972 380 N HN 0.588 nan 8.380 nan 0.000 0.434 381 I N -2.804 117.765 120.570 -0.001 0.000 3.883 381 I HA 0.196 4.366 4.170 0.000 0.000 0.326 381 I C 1.538 177.672 176.117 0.029 0.000 1.283 381 I CA 0.151 61.461 61.300 0.016 0.000 1.161 381 I CB -0.076 37.937 38.000 0.021 0.000 1.012 381 I HN -0.156 nan 8.210 nan 0.000 0.421 382 I N 1.966 122.546 120.570 0.017 0.000 2.248 382 I HA -0.291 3.879 4.170 0.000 0.000 0.248 382 I C 2.791 178.918 176.117 0.017 0.000 1.107 382 I CA 1.870 63.181 61.300 0.018 0.000 1.373 382 I CB -0.868 37.134 38.000 0.004 0.000 1.055 382 I HN 0.591 nan 8.210 nan 0.000 0.418 383 S N 1.503 117.210 115.700 0.012 0.000 2.365 383 S HA -0.224 4.247 4.470 0.000 0.000 0.225 383 S C 2.054 176.663 174.600 0.014 0.000 1.039 383 S CA 1.853 60.060 58.200 0.011 0.000 1.033 383 S CB -0.870 62.335 63.200 0.008 0.000 0.887 383 S HN 0.594 nan 8.310 nan 0.000 0.447 384 S N 0.142 115.854 115.700 0.019 0.000 2.528 384 S HA 0.235 4.705 4.470 0.000 0.000 0.219 384 S C 1.566 176.182 174.600 0.026 0.000 0.985 384 S CA 0.361 58.574 58.200 0.022 0.000 0.914 384 S CB -0.034 63.182 63.200 0.025 0.000 0.776 384 S HN 0.382 nan 8.310 nan 0.000 0.526 385 V N 1.307 121.238 119.914 0.029 0.000 2.795 385 V HA 0.293 4.414 4.120 0.000 0.000 0.243 385 V C 0.519 176.611 176.094 -0.003 0.000 1.069 385 V CA 0.491 62.804 62.300 0.021 0.000 1.089 385 V CB -0.092 31.760 31.823 0.049 0.000 0.756 385 V HN 0.481 nan 8.190 nan 0.000 0.471 386 I N 2.552 123.124 120.570 0.004 0.000 2.282 386 I HA 0.401 4.571 4.170 0.000 0.000 0.290 386 I C 0.605 176.724 176.117 0.003 0.000 1.090 386 I CA 0.012 61.311 61.300 -0.001 0.000 1.231 386 I CB -0.961 37.041 38.000 0.005 0.000 1.434 386 I HN 0.382 nan 8.210 nan 0.000 0.487 387 R N 0.000 120.500 120.500 -0.000 0.000 2.786 387 R HA 0.000 4.340 4.340 0.000 0.000 0.208 387 R CA 0.000 56.102 56.100 0.002 0.000 0.921 387 R CB 0.000 30.302 30.300 0.004 0.000 0.687 387 R HN 0.000 nan 8.270 nan 0.000 0.535