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 3dwj_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XXXXXSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AHRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIW 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.184 176.000 0.306 0.000 1.003 77 Q CA 0.000 55.850 55.803 0.078 0.000 1.022 77 Q CB 0.000 28.670 28.738 -0.114 0.000 1.108 78 Y N 0.109 120.549 120.300 0.234 0.000 2.330 78 Y HA 0.735 5.285 4.550 0.000 0.000 0.387 78 Y C 0.005 175.980 175.900 0.125 0.000 1.365 78 Y CA -0.909 57.324 58.100 0.223 0.000 1.828 78 Y CB -0.062 38.482 38.460 0.139 0.000 1.696 78 Y HN 0.104 nan 8.280 nan 0.000 0.616 79 V N 1.514 121.758 119.914 0.549 0.000 2.524 79 V HA 0.364 4.484 4.120 0.000 0.000 0.297 79 V C -0.387 175.897 176.094 0.317 0.000 1.035 79 V CA -1.057 61.394 62.300 0.252 0.000 0.867 79 V CB 1.294 33.051 31.823 -0.110 0.000 1.004 79 V HN 0.728 nan 8.190 nan 0.000 0.426 80 R N 3.840 124.542 120.500 0.336 0.000 2.491 80 R HA 0.550 4.890 4.340 0.000 0.000 0.283 80 R C -0.841 175.533 176.300 0.124 0.000 1.072 80 R CA 0.174 56.446 56.100 0.286 0.000 1.048 80 R CB 0.535 31.001 30.300 0.277 0.000 0.983 80 R HN 0.640 nan 8.270 nan 0.000 0.450 81 I N 3.498 124.105 120.570 0.062 0.000 2.499 81 I HA 0.239 4.409 4.170 0.000 0.000 0.288 81 I C -0.789 175.311 176.117 -0.029 0.000 1.048 81 I CA -0.799 60.514 61.300 0.022 0.000 1.062 81 I CB 2.105 40.108 38.000 0.004 0.000 1.238 81 I HN 0.518 nan 8.210 nan 0.000 0.426 82 K N 5.952 126.335 120.400 -0.028 0.000 2.244 82 K HA 0.319 4.640 4.320 0.000 0.000 0.260 82 K C -0.616 175.924 176.600 -0.101 0.000 0.951 82 K CA -0.625 55.556 56.287 -0.177 0.000 0.826 82 K CB 1.297 33.517 32.500 -0.468 0.000 1.108 82 K HN 0.487 nan 8.250 nan 0.000 0.433 83 N N 4.180 122.805 118.700 -0.124 0.000 2.419 83 N HA 0.072 4.812 4.740 0.000 0.000 0.264 83 N C -0.339 175.126 175.510 -0.074 0.000 1.031 83 N CA -0.244 52.796 53.050 -0.016 0.000 0.951 83 N CB 0.500 38.986 38.487 -0.003 0.000 1.101 83 N HN 0.690 nan 8.380 nan 0.000 0.488 84 W N 2.427 123.737 121.300 0.018 0.000 3.139 84 W HA 0.266 4.926 4.660 0.000 0.000 0.260 84 W C 2.003 178.535 176.519 0.021 0.000 1.312 84 W CA -0.008 57.350 57.345 0.023 0.000 1.606 84 W CB 0.213 29.688 29.460 0.026 0.000 1.118 84 W HN 0.685 nan 8.180 nan 0.000 0.675 85 G N 0.029 108.942 108.800 0.188 0.000 2.425 85 G HA2 -0.218 3.742 3.960 0.000 0.000 0.213 85 G HA3 -0.218 3.742 3.960 0.000 0.000 0.213 85 G C 1.610 176.552 174.900 0.070 0.000 1.201 85 G CA 1.374 46.544 45.100 0.117 0.000 0.799 85 G HN 0.232 nan 8.290 nan 0.000 0.534 86 S N -0.557 115.163 115.700 0.035 0.000 2.496 86 S HA 0.327 4.797 4.470 0.000 0.000 0.224 86 S C 2.020 176.606 174.600 -0.023 0.000 0.996 86 S CA 1.129 59.333 58.200 0.007 0.000 0.927 86 S CB -0.021 63.177 63.200 -0.003 0.000 0.774 86 S HN 1.644 nan 8.310 nan 0.000 0.524 87 G N 0.924 109.688 108.800 -0.061 0.000 2.179 87 G HA2 -0.295 3.665 3.960 0.000 0.000 0.260 87 G HA3 -0.295 3.665 3.960 0.000 0.000 0.260 87 G C -0.131 174.682 174.900 -0.145 0.000 0.977 87 G CA 0.332 45.354 45.100 -0.130 0.000 0.641 87 G HN 0.648 nan 8.290 nan 0.000 0.533 88 E N 1.204 121.339 120.200 -0.108 0.000 2.414 88 E HA 0.331 4.681 4.350 0.000 0.000 0.263 88 E C 0.741 177.255 176.600 -0.142 0.000 1.000 88 E CA -0.108 56.228 56.400 -0.107 0.000 0.914 88 E CB 0.287 29.940 29.700 -0.078 0.000 0.948 88 E HN 0.566 nan 8.360 nan 0.000 0.444 89 I N 1.929 122.408 120.570 -0.152 0.000 2.530 89 I HA 0.465 4.636 4.170 0.000 0.000 0.297 89 I C -1.293 174.679 176.117 -0.241 0.000 1.011 89 I CA -0.980 60.221 61.300 -0.166 0.000 1.107 89 I CB 0.910 38.834 38.000 -0.128 0.000 1.285 89 I HN 0.291 nan 8.210 nan 0.000 0.436 90 L N 5.313 126.398 121.223 -0.231 0.000 2.333 90 L HA 0.532 4.872 4.340 0.000 0.000 0.263 90 L C -0.545 176.145 176.870 -0.301 0.000 1.014 90 L CA -0.458 54.183 54.840 -0.333 0.000 0.820 90 L CB 1.846 43.795 42.059 -0.183 0.000 1.352 90 L HN 0.550 nan 8.230 nan 0.000 0.421 91 H N -0.119 118.801 119.070 -0.250 0.000 2.623 91 H HA 0.264 4.820 4.556 0.001 0.000 0.299 91 H C -1.032 174.183 175.328 -0.188 0.000 1.052 91 H CA -0.748 55.054 56.048 -0.410 0.000 1.231 91 H CB 1.329 30.411 29.762 -1.133 0.000 1.389 91 H HN 0.452 nan 8.280 nan 0.000 0.469 92 D N 2.379 122.813 120.400 0.056 0.000 2.351 92 D HA 0.025 4.665 4.640 0.000 0.000 0.251 92 D C 0.257 176.704 176.300 0.246 0.000 1.137 92 D CA 0.354 54.402 54.000 0.081 0.000 0.879 92 D CB 1.517 42.299 40.800 -0.031 0.000 1.181 92 D HN 0.557 nan 8.370 nan 0.000 0.448 93 T N 3.522 118.212 114.554 0.226 0.000 3.028 93 T HA -0.041 4.309 4.350 0.000 0.000 0.250 93 T C 1.641 176.430 174.700 0.148 0.000 0.979 93 T CA -0.271 61.968 62.100 0.231 0.000 1.004 93 T CB 0.137 69.112 68.868 0.179 0.000 1.120 93 T HN 0.235 nan 8.240 nan 0.000 0.482 94 L N 2.512 123.816 121.223 0.135 0.000 2.189 94 L HA -0.145 4.196 4.340 0.000 0.000 0.214 94 L C 2.160 179.073 176.870 0.071 0.000 1.097 94 L CA 2.215 57.109 54.840 0.090 0.000 0.764 94 L CB -0.655 41.451 42.059 0.077 0.000 0.900 94 L HN 0.609 nan 8.230 nan 0.000 0.436 95 H N -4.260 114.780 119.070 -0.050 0.000 2.489 95 H HA -0.129 4.428 4.556 0.000 0.000 0.293 95 H C 1.822 177.122 175.328 -0.047 0.000 1.066 95 H CA 1.404 57.410 56.048 -0.069 0.000 1.305 95 H CB -0.559 29.137 29.762 -0.110 0.000 1.386 95 H HN 0.405 nan 8.280 nan 0.000 0.551 96 H N 1.426 120.193 119.070 -0.504 0.000 2.489 96 H HA -0.026 4.530 4.556 0.000 0.000 0.295 96 H C 1.103 176.347 175.328 -0.140 0.000 1.082 96 H CA 1.215 57.046 56.048 -0.361 0.000 1.295 96 H CB 0.219 29.811 29.762 -0.283 0.000 1.380 96 H HN 0.518 nan 8.280 nan 0.000 0.548 97 K N 0.516 120.933 120.400 0.029 0.000 2.437 97 K HA 0.278 4.599 4.320 0.000 0.000 0.198 97 K C 0.994 177.610 176.600 0.027 0.000 1.024 97 K CA -0.013 56.293 56.287 0.031 0.000 1.148 97 K CB 0.537 33.057 32.500 0.033 0.000 0.860 97 K HN 0.055 nan 8.250 nan 0.000 0.515 98 A N 2.130 124.966 122.820 0.026 0.000 2.364 98 A HA 0.187 4.507 4.320 0.000 0.000 0.258 98 A C 0.648 178.249 177.584 0.028 0.000 1.131 98 A CA 0.190 52.248 52.037 0.034 0.000 0.800 98 A CB 0.030 19.059 19.000 0.049 0.000 1.086 98 A HN 0.368 nan 8.150 nan 0.000 0.508 99 T N -2.047 112.524 114.554 0.027 0.000 2.912 99 T HA 0.625 4.975 4.350 0.000 0.000 0.288 99 T C 0.137 174.850 174.700 0.022 0.000 1.030 99 T CA 0.497 62.610 62.100 0.021 0.000 1.020 99 T CB 0.838 69.716 68.868 0.017 0.000 1.056 99 T HN 2.752 nan 8.240 nan 0.000 0.480 113 I N 2.718 123.372 120.570 0.140 0.000 2.395 113 I HA 0.303 4.473 4.170 0.000 0.000 0.289 113 I C 1.984 178.202 176.117 0.168 0.000 1.023 113 I CA -0.444 60.955 61.300 0.166 0.000 1.350 113 I CB 0.523 38.603 38.000 0.134 0.000 1.409 113 I HN 0.353 nan 8.210 nan 0.000 0.507 114 M N 4.506 124.222 119.600 0.194 0.000 2.065 114 M HA -0.152 4.328 4.480 0.000 0.000 0.259 114 M C 0.370 176.670 176.300 0.001 0.000 1.071 114 M CA 1.781 57.129 55.300 0.080 0.000 1.109 114 M CB -0.506 32.012 32.600 -0.137 0.000 1.313 114 M HN 0.515 nan 8.290 nan 0.000 0.408 115 N N 1.143 119.866 118.700 0.039 0.000 3.012 115 N HA 0.311 5.051 4.740 0.000 0.000 0.270 115 N C -2.477 173.084 175.510 0.086 0.000 1.469 115 N CA -1.031 52.006 53.050 -0.022 0.000 0.928 115 N CB 0.126 38.553 38.487 -0.100 0.000 1.219 115 N HN 0.236 nan 8.380 nan 0.000 0.492 116 P HA 0.107 nan 4.420 nan 0.000 0.269 116 P C 0.757 178.124 177.300 0.113 0.000 1.209 116 P CA -0.213 62.950 63.100 0.104 0.000 0.776 116 P CB 1.917 33.676 31.700 0.098 0.000 0.876 117 K N 1.143 121.592 120.400 0.082 0.000 2.103 117 K HA -0.150 4.170 4.320 0.000 0.000 0.207 117 K C 2.182 178.836 176.600 0.090 0.000 1.048 117 K CA 2.104 58.435 56.287 0.073 0.000 0.930 117 K CB -0.382 32.142 32.500 0.040 0.000 0.716 117 K HN 0.600 nan 8.250 nan 0.000 0.444 118 S N 0.644 116.392 115.700 0.080 0.000 2.420 118 S HA -0.154 4.316 4.470 0.000 0.000 0.237 118 S C 1.504 176.183 174.600 0.132 0.000 1.023 118 S CA 1.006 59.251 58.200 0.076 0.000 0.991 118 S CB -0.104 63.124 63.200 0.046 0.000 0.792 118 S HN 0.127 nan 8.310 nan 0.000 0.488 119 L N 1.485 122.819 121.223 0.186 0.000 2.741 119 L HA 0.462 4.802 4.340 0.000 0.000 0.237 119 L C -0.065 177.065 176.870 0.434 0.000 1.178 119 L CA 0.437 55.435 54.840 0.262 0.000 0.973 119 L CB -0.196 42.012 42.059 0.248 0.000 1.255 119 L HN 0.249 nan 8.230 nan 0.000 0.498 120 T N -0.443 114.331 114.554 0.367 0.000 2.861 120 T HA 0.500 4.851 4.350 0.000 0.000 0.287 120 T C -0.575 174.187 174.700 0.104 0.000 1.003 120 T CA -0.534 61.742 62.100 0.294 0.000 0.977 120 T CB 2.323 71.301 68.868 0.183 0.000 0.996 120 T HN -0.124 nan 8.240 nan 0.000 0.448 121 R N 1.653 122.173 120.500 0.034 0.000 2.337 121 R HA 0.665 5.005 4.340 0.000 0.000 0.319 121 R C 0.328 176.590 176.300 -0.063 0.000 0.954 121 R CA -0.326 55.672 56.100 -0.170 0.000 0.840 121 R CB 0.577 30.649 30.300 -0.380 0.000 1.164 121 R HN 0.819 nan 8.270 nan 0.000 0.472 122 G N 3.419 112.175 108.800 -0.074 0.000 2.532 122 G HA2 0.488 4.448 3.960 0.000 0.000 0.291 122 G HA3 0.488 4.448 3.960 0.000 0.000 0.291 122 G C -2.112 172.752 174.900 -0.060 0.000 1.349 122 G CA -1.080 43.986 45.100 -0.056 0.000 1.038 122 G HN 0.583 nan 8.290 nan 0.000 0.518 123 P HA 0.425 nan 4.420 nan 0.000 0.275 123 P C -0.767 176.502 177.300 -0.053 0.000 1.266 123 P CA -0.342 62.725 63.100 -0.055 0.000 0.793 123 P CB 0.954 32.615 31.700 -0.065 0.000 1.074 124 R N -1.128 119.343 120.500 -0.048 0.000 2.733 124 R HA 0.437 4.777 4.340 0.000 0.000 0.272 124 R C -0.470 175.801 176.300 -0.048 0.000 1.029 124 R CA -0.773 55.299 56.100 -0.046 0.000 0.888 124 R CB 0.123 30.398 30.300 -0.042 0.000 1.251 124 R HN 0.294 nan 8.270 nan 0.000 0.464 125 D N -0.365 120.009 120.400 -0.044 0.000 2.433 125 D HA 0.194 4.834 4.640 0.000 0.000 0.211 125 D C -0.421 175.859 176.300 -0.035 0.000 1.114 125 D CA -0.028 53.944 54.000 -0.047 0.000 0.837 125 D CB 0.630 41.404 40.800 -0.044 0.000 0.984 125 D HN 0.389 nan 8.370 nan 0.000 0.505 126 K N 0.668 121.052 120.400 -0.025 0.000 2.508 126 K HA 0.453 4.773 4.320 0.000 0.000 0.260 126 K C -2.926 173.670 176.600 -0.008 0.000 0.949 126 K CA -1.958 54.322 56.287 -0.013 0.000 0.834 126 K CB 2.615 35.108 32.500 -0.012 0.000 1.365 126 K HN -0.201 nan 8.250 nan 0.000 0.437 127 P HA -0.028 nan 4.420 nan 0.000 0.268 127 P C -0.581 176.719 177.300 0.000 0.000 1.208 127 P CA -0.095 63.008 63.100 0.005 0.000 0.777 127 P CB 0.158 31.867 31.700 0.015 0.000 0.875 128 T N 3.924 118.478 114.554 -0.000 0.000 2.908 128 T HA 0.112 4.462 4.350 0.000 0.000 0.301 128 T C -1.980 172.724 174.700 0.007 0.000 1.019 128 T CA -0.299 61.803 62.100 0.004 0.000 1.152 128 T CB -0.855 68.023 68.868 0.017 0.000 0.966 128 T HN 0.350 nan 8.240 nan 0.000 0.540 129 P HA 0.171 nan 4.420 nan 0.000 0.272 129 P C 0.984 178.281 177.300 -0.005 0.000 1.223 129 P CA -0.401 62.697 63.100 -0.005 0.000 0.784 129 P CB 0.495 32.188 31.700 -0.013 0.000 0.923 130 L N 1.682 122.901 121.223 -0.007 0.000 2.093 130 L HA -0.138 4.202 4.340 0.000 0.000 0.208 130 L C 2.209 179.062 176.870 -0.029 0.000 1.085 130 L CA 1.388 56.223 54.840 -0.009 0.000 0.755 130 L CB -0.939 41.116 42.059 -0.007 0.000 0.904 130 L HN 0.533 nan 8.230 nan 0.000 0.435 131 E N 1.131 121.310 120.200 -0.036 0.000 2.265 131 E HA -0.233 4.117 4.350 0.000 0.000 0.196 131 E C 1.326 177.873 176.600 -0.088 0.000 0.996 131 E CA 1.286 57.655 56.400 -0.053 0.000 0.832 131 E CB -0.139 29.535 29.700 -0.044 0.000 0.756 131 E HN 0.650 nan 8.360 nan 0.000 0.491 132 E N 0.867 121.013 120.200 -0.089 0.000 2.127 132 E HA 0.085 4.436 4.350 0.000 0.000 0.191 132 E C 2.392 178.890 176.600 -0.171 0.000 0.964 132 E CA 0.097 56.398 56.400 -0.165 0.000 0.832 132 E CB -0.102 29.543 29.700 -0.091 0.000 0.790 132 E HN 0.121 nan 8.360 nan 0.000 0.465 133 L N 1.242 122.443 121.223 -0.035 0.000 1.971 133 L HA -0.231 4.109 4.340 0.000 0.000 0.215 133 L C 2.483 179.359 176.870 0.011 0.000 1.072 133 L CA 1.035 55.901 54.840 0.043 0.000 0.758 133 L CB -0.198 41.894 42.059 0.055 0.000 0.889 133 L HN 0.176 nan 8.230 nan 0.000 0.433 134 L N 0.361 121.560 121.223 -0.041 0.000 1.971 134 L HA -0.155 4.185 4.340 0.000 0.000 0.215 134 L C -0.492 176.351 176.870 -0.044 0.000 1.072 134 L CA 2.296 57.100 54.840 -0.061 0.000 0.758 134 L CB -1.950 40.073 42.059 -0.061 0.000 0.889 134 L HN 0.137 nan 8.230 nan 0.000 0.433 135 P HA -0.184 nan 4.420 nan 0.000 0.216 135 P C 1.338 178.671 177.300 0.055 0.000 1.153 135 P CA 1.695 64.763 63.100 -0.053 0.000 0.858 135 P CB -0.253 31.357 31.700 -0.150 0.000 0.789 136 H N -0.569 118.526 119.070 0.041 0.000 2.321 136 H HA 0.002 4.559 4.556 0.000 0.000 0.300 136 H C 2.038 177.444 175.328 0.129 0.000 1.087 136 H CA 1.491 57.587 56.048 0.079 0.000 1.319 136 H CB -1.146 28.656 29.762 0.066 0.000 1.379 136 H HN 0.036 nan 8.280 nan 0.000 0.501 137 A N 1.481 124.426 122.820 0.208 0.000 1.883 137 A HA -0.154 4.167 4.320 0.000 0.000 0.217 137 A C 2.437 180.116 177.584 0.159 0.000 1.186 137 A CA 1.665 53.775 52.037 0.121 0.000 0.624 137 A CB -0.597 18.205 19.000 -0.330 0.000 0.822 137 A HN 0.232 nan 8.150 nan 0.000 0.444 138 I N 0.120 120.742 120.570 0.086 0.000 2.163 138 I HA -0.250 3.920 4.170 0.000 0.000 0.243 138 I C 2.321 178.538 176.117 0.165 0.000 1.085 138 I CA 1.772 63.132 61.300 0.101 0.000 1.347 138 I CB -1.869 36.163 38.000 0.054 0.000 1.044 138 I HN 0.467 nan 8.210 nan 0.000 0.408 139 E N 0.326 120.637 120.200 0.186 0.000 2.070 139 E HA -0.277 4.073 4.350 0.000 0.000 0.197 139 E C 2.165 178.905 176.600 0.234 0.000 1.004 139 E CA 1.649 58.166 56.400 0.196 0.000 0.805 139 E CB -0.367 29.461 29.700 0.213 0.000 0.744 139 E HN 0.429 nan 8.360 nan 0.000 0.451 140 F N 1.028 121.074 119.950 0.160 0.000 2.102 140 F HA -0.180 4.347 4.527 0.000 0.000 0.298 140 F C 1.998 177.919 175.800 0.200 0.000 1.105 140 F CA 1.140 59.251 58.000 0.185 0.000 1.239 140 F CB -0.183 38.940 39.000 0.205 0.000 0.991 140 F HN -0.091 nan 8.300 nan 0.000 0.474 141 I N 1.102 121.739 120.570 0.112 0.000 2.361 141 I HA -0.316 3.855 4.170 0.000 0.000 0.251 141 I C 1.850 178.013 176.117 0.076 0.000 1.133 141 I CA 1.217 62.565 61.300 0.080 0.000 1.413 141 I CB -0.712 37.445 38.000 0.262 0.000 1.073 141 I HN 0.181 nan 8.210 nan 0.000 0.424 142 N N -0.299 118.465 118.700 0.107 0.000 2.396 142 N HA -0.167 4.573 4.740 0.000 0.000 0.180 142 N C 1.724 177.188 175.510 -0.077 0.000 1.028 142 N CA 0.656 53.756 53.050 0.083 0.000 0.893 142 N CB -0.189 38.413 38.487 0.192 0.000 0.967 142 N HN 0.533 nan 8.380 nan 0.000 0.440 143 Q N -0.291 119.453 119.800 -0.094 0.000 2.033 143 Q HA -0.104 4.236 4.340 0.000 0.000 0.196 143 Q C 1.914 177.710 176.000 -0.341 0.000 0.970 143 Q CA 0.722 56.463 55.803 -0.103 0.000 0.828 143 Q CB -0.196 28.570 28.738 0.047 0.000 0.895 143 Q HN 0.384 nan 8.270 nan 0.000 0.440 144 Y N -0.218 119.629 120.300 -0.755 0.000 2.139 144 Y HA -0.342 4.209 4.550 0.000 0.000 0.282 144 Y C 1.518 176.741 175.900 -1.129 0.000 1.179 144 Y CA 2.101 59.427 58.100 -1.289 0.000 1.161 144 Y CB -0.155 37.571 38.460 -1.223 0.000 0.970 144 Y HN 0.240 nan 8.280 nan 0.000 0.511 145 Y N -0.829 119.056 120.300 -0.691 0.000 2.365 145 Y HA 0.093 4.643 4.550 0.001 0.000 0.293 145 Y C 2.450 178.092 175.900 -0.429 0.000 1.119 145 Y CA 1.010 58.767 58.100 -0.572 0.000 1.203 145 Y CB -0.563 37.446 38.460 -0.752 0.000 1.026 145 Y HN 0.140 nan 8.280 nan 0.000 0.549 146 G N -1.296 107.334 108.800 -0.284 0.000 3.155 146 G HA2 -0.033 3.927 3.960 0.000 0.000 0.213 146 G HA3 -0.033 3.927 3.960 0.000 0.000 0.213 146 G C 1.032 175.814 174.900 -0.197 0.000 1.196 146 G CA 0.769 45.779 45.100 -0.150 0.000 0.846 146 G HN 0.374 nan 8.290 nan 0.000 0.516 147 S N -0.928 114.512 115.700 -0.434 0.000 2.701 147 S HA 0.451 4.921 4.470 0.000 0.000 0.242 147 S C 0.010 174.330 174.600 -0.468 0.000 1.025 147 S CA -0.748 57.208 58.200 -0.407 0.000 1.016 147 S CB -0.001 62.915 63.200 -0.474 0.000 0.977 147 S HN -0.030 nan 8.310 nan 0.000 0.546 148 F N 2.846 122.648 119.950 -0.247 0.000 2.378 148 F HA 0.507 5.034 4.527 0.000 0.000 0.325 148 F C 1.681 177.422 175.800 -0.097 0.000 1.097 148 F CA -1.285 56.601 58.000 -0.190 0.000 1.079 148 F CB 0.980 39.853 39.000 -0.212 0.000 1.240 148 F HN 0.000 nan 8.300 nan 0.000 0.519 149 K N 0.596 121.083 120.400 0.146 0.000 2.152 149 K HA -0.127 4.193 4.320 0.000 0.000 0.206 149 K C -0.362 176.275 176.600 0.061 0.000 1.048 149 K CA 1.748 58.083 56.287 0.080 0.000 0.933 149 K CB 0.085 32.617 32.500 0.054 0.000 0.721 149 K HN 0.714 nan 8.250 nan 0.000 0.447 150 E N -0.183 120.051 120.200 0.057 0.000 2.294 150 E HA 0.303 4.653 4.350 0.000 0.000 0.272 150 E C -1.760 174.843 176.600 0.005 0.000 0.896 150 E CA -0.516 55.895 56.400 0.017 0.000 0.802 150 E CB 1.984 31.673 29.700 -0.018 0.000 1.267 150 E HN 0.340 nan 8.360 nan 0.000 0.406 151 A N 3.301 126.142 122.820 0.035 0.000 2.401 151 A HA 0.272 4.592 4.320 0.000 0.000 0.259 151 A C -0.149 177.452 177.584 0.028 0.000 1.103 151 A CA -0.200 51.883 52.037 0.076 0.000 0.789 151 A CB 0.248 19.304 19.000 0.093 0.000 1.035 151 A HN 0.511 nan 8.150 nan 0.000 0.491 152 K N 3.449 123.879 120.400 0.050 0.000 2.385 152 K HA 0.283 4.603 4.320 0.000 0.000 0.229 152 K C -0.034 176.588 176.600 0.037 0.000 1.089 152 K CA -0.212 56.083 56.287 0.013 0.000 1.060 152 K CB 0.335 32.821 32.500 -0.022 0.000 1.698 152 K HN 0.617 nan 8.250 nan 0.000 0.469 153 I N 1.732 122.316 120.570 0.024 0.000 2.127 153 I HA -0.359 3.811 4.170 0.000 0.000 0.241 153 I C 2.604 178.681 176.117 -0.067 0.000 1.075 153 I CA 1.464 62.767 61.300 0.006 0.000 1.334 153 I CB -0.362 37.634 38.000 -0.008 0.000 1.040 153 I HN 0.542 nan 8.210 nan 0.000 0.405 154 E N 1.935 122.100 120.200 -0.058 0.000 2.070 154 E HA -0.289 4.061 4.350 0.000 0.000 0.197 154 E C 1.781 178.326 176.600 -0.091 0.000 1.004 154 E CA 1.928 58.286 56.400 -0.070 0.000 0.805 154 E CB -0.951 28.723 29.700 -0.043 0.000 0.744 154 E HN 0.651 nan 8.360 nan 0.000 0.451 155 E N 0.048 120.198 120.200 -0.083 0.000 2.150 155 E HA -0.185 4.165 4.350 0.000 0.000 0.193 155 E C 2.265 178.654 176.600 -0.352 0.000 0.985 155 E CA 1.052 57.399 56.400 -0.088 0.000 0.814 155 E CB -0.423 29.320 29.700 0.073 0.000 0.752 155 E HN 0.599 nan 8.360 nan 0.000 0.466 156 H N 0.429 119.028 119.070 -0.785 0.000 2.326 156 H HA -0.116 4.440 4.556 0.000 0.000 0.301 156 H C 2.078 177.141 175.328 -0.443 0.000 1.081 156 H CA 0.717 56.101 56.048 -1.107 0.000 1.334 156 H CB 0.245 29.543 29.762 -0.774 0.000 1.385 156 H HN 0.041 nan 8.280 nan 0.000 0.504 157 L N 1.101 122.130 121.223 -0.324 0.000 2.046 157 L HA -0.130 4.210 4.340 0.000 0.000 0.208 157 L C 2.921 179.705 176.870 -0.144 0.000 1.077 157 L CA 1.710 56.395 54.840 -0.258 0.000 0.747 157 L CB -1.152 40.789 42.059 -0.196 0.000 0.896 157 L HN 0.407 nan 8.230 nan 0.000 0.432 158 A N -0.662 122.091 122.820 -0.110 0.000 1.858 158 A HA -0.259 4.061 4.320 0.000 0.000 0.216 158 A C 2.470 180.047 177.584 -0.013 0.000 1.190 158 A CA 1.864 53.872 52.037 -0.048 0.000 0.617 158 A CB -0.518 18.467 19.000 -0.025 0.000 0.827 158 A HN 0.314 nan 8.150 nan 0.000 0.443 159 R N 0.069 120.569 120.500 -0.001 0.000 2.091 159 R HA -0.057 4.283 4.340 0.000 0.000 0.238 159 R C 1.905 178.251 176.300 0.076 0.000 1.136 159 R CA 1.750 57.907 56.100 0.094 0.000 0.959 159 R CB -1.025 29.411 30.300 0.227 0.000 0.856 159 R HN 0.527 nan 8.270 nan 0.000 0.437 160 L N 0.442 121.685 121.223 0.034 0.000 2.013 160 L HA -0.209 4.131 4.340 0.000 0.000 0.212 160 L C 2.686 179.548 176.870 -0.013 0.000 1.073 160 L CA 1.937 56.783 54.840 0.010 0.000 0.753 160 L CB -0.653 41.377 42.059 -0.047 0.000 0.890 160 L HN 0.366 nan 8.230 nan 0.000 0.432 161 E N 0.425 120.611 120.200 -0.023 0.000 2.031 161 E HA -0.251 4.099 4.350 0.000 0.000 0.193 161 E C 2.182 178.782 176.600 0.001 0.000 0.994 161 E CA 1.562 57.951 56.400 -0.019 0.000 0.800 161 E CB 0.004 29.690 29.700 -0.023 0.000 0.752 161 E HN 0.447 nan 8.360 nan 0.000 0.447 162 A N 0.612 123.444 122.820 0.021 0.000 1.933 162 A HA -0.125 4.196 4.320 0.000 0.000 0.218 162 A C 2.507 180.120 177.584 0.049 0.000 1.175 162 A CA 1.541 53.602 52.037 0.041 0.000 0.628 162 A CB -0.536 18.502 19.000 0.064 0.000 0.814 162 A HN 0.203 nan 8.150 nan 0.000 0.444 163 V N -0.271 119.665 119.914 0.038 0.000 2.379 163 V HA -0.189 3.931 4.120 0.000 0.000 0.245 163 V C 2.713 178.763 176.094 -0.073 0.000 1.044 163 V CA 2.328 64.622 62.300 -0.010 0.000 1.036 163 V CB -1.338 30.424 31.823 -0.100 0.000 0.664 163 V HN 0.612 nan 8.190 nan 0.000 0.453 164 T N 0.109 114.627 114.554 -0.060 0.000 2.708 164 T HA -0.178 4.172 4.350 0.000 0.000 0.266 164 T C 1.973 176.660 174.700 -0.021 0.000 1.037 164 T CA 1.246 63.314 62.100 -0.053 0.000 1.146 164 T CB -0.279 68.565 68.868 -0.041 0.000 0.865 164 T HN 0.317 nan 8.240 nan 0.000 0.435 165 K N 1.448 121.846 120.400 -0.004 0.000 2.063 165 K HA -0.076 4.244 4.320 0.000 0.000 0.208 165 K C 2.175 178.790 176.600 0.024 0.000 1.048 165 K CA 1.272 57.565 56.287 0.009 0.000 0.928 165 K CB -0.572 31.936 32.500 0.014 0.000 0.713 165 K HN 0.534 nan 8.250 nan 0.000 0.442 166 E N 0.542 120.766 120.200 0.041 0.000 2.072 166 E HA -0.092 4.258 4.350 0.000 0.000 0.191 166 E C 2.109 178.751 176.600 0.070 0.000 0.985 166 E CA 0.733 57.176 56.400 0.072 0.000 0.801 166 E CB -0.010 29.766 29.700 0.127 0.000 0.750 166 E HN 0.213 nan 8.360 nan 0.000 0.452 167 I N 0.964 121.564 120.570 0.049 0.000 2.179 167 I HA -0.255 3.915 4.170 0.000 0.000 0.242 167 I C 2.264 178.396 176.117 0.025 0.000 1.088 167 I CA 1.235 62.559 61.300 0.040 0.000 1.357 167 I CB -0.233 37.759 38.000 -0.013 0.000 1.051 167 I HN 0.157 nan 8.210 nan 0.000 0.409 168 E N -0.296 119.910 120.200 0.010 0.000 2.209 168 E HA -0.228 4.122 4.350 0.000 0.000 0.196 168 E C 1.877 178.486 176.600 0.015 0.000 0.993 168 E CA 1.575 57.979 56.400 0.007 0.000 0.819 168 E CB -0.009 29.692 29.700 0.001 0.000 0.745 168 E HN 0.381 nan 8.360 nan 0.000 0.477 169 T N -1.500 113.068 114.554 0.023 0.000 3.015 169 T HA -0.003 4.348 4.350 0.000 0.000 0.250 169 T C 1.634 176.351 174.700 0.029 0.000 1.057 169 T CA 1.251 63.366 62.100 0.025 0.000 1.066 169 T CB 0.367 69.252 68.868 0.027 0.000 0.959 169 T HN 0.319 nan 8.240 nan 0.000 0.488 170 T N -3.166 111.411 114.554 0.038 0.000 3.010 170 T HA 0.429 4.780 4.350 0.000 0.000 0.253 170 T C 1.615 176.340 174.700 0.041 0.000 0.939 170 T CA 0.892 63.016 62.100 0.040 0.000 0.910 170 T CB 0.378 69.275 68.868 0.049 0.000 1.226 170 T HN 0.353 nan 8.240 nan 0.000 0.508 171 G N 0.448 109.275 108.800 0.047 0.000 2.144 171 G HA2 -0.028 3.932 3.960 0.000 0.000 0.218 171 G HA3 -0.028 3.932 3.960 0.000 0.000 0.218 171 G C 0.138 175.074 174.900 0.060 0.000 0.988 171 G CA 0.599 45.726 45.100 0.045 0.000 0.659 171 G HN 1.134 nan 8.290 nan 0.000 0.522 172 T N -1.521 113.088 114.554 0.092 0.000 2.669 172 T HA 0.631 4.981 4.350 0.000 0.000 0.302 172 T C -1.978 172.862 174.700 0.234 0.000 1.659 172 T CA 0.571 62.767 62.100 0.160 0.000 0.979 172 T CB 0.888 69.799 68.868 0.071 0.000 1.895 172 T HN 1.761 nan 8.240 nan 0.000 0.466 173 Y N 0.280 120.582 120.300 0.002 0.000 2.552 173 Y HA 0.767 5.317 4.550 0.000 0.000 0.337 173 Y C -1.171 174.742 175.900 0.021 0.000 1.094 173 Y CA -1.192 56.920 58.100 0.020 0.000 1.028 173 Y CB 1.012 39.496 38.460 0.040 0.000 1.321 173 Y HN 0.476 nan 8.280 nan 0.000 0.456 174 Q N 3.859 123.582 119.800 -0.128 0.000 2.243 174 Q HA 0.453 4.793 4.340 0.000 0.000 0.252 174 Q C -0.492 175.414 176.000 -0.156 0.000 0.909 174 Q CA -0.674 55.016 55.803 -0.188 0.000 0.922 174 Q CB 2.377 31.089 28.738 -0.043 0.000 1.215 174 Q HN 0.869 nan 8.270 nan 0.000 0.427 175 L N 1.643 122.765 121.223 -0.169 0.000 2.426 175 L HA 0.171 4.511 4.340 0.000 0.000 0.271 175 L C 1.242 178.110 176.870 -0.002 0.000 1.169 175 L CA -0.419 54.395 54.840 -0.044 0.000 0.836 175 L CB 0.241 42.283 42.059 -0.029 0.000 1.112 175 L HN 0.674 nan 8.230 nan 0.000 0.465 176 T N -0.433 114.129 114.554 0.013 0.000 2.856 176 T HA 0.039 4.389 4.350 0.000 0.000 0.306 176 T C 0.993 175.680 174.700 -0.021 0.000 1.062 176 T CA -0.585 61.516 62.100 0.001 0.000 1.083 176 T CB 0.855 69.722 68.868 -0.002 0.000 0.984 176 T HN 0.484 nan 8.240 nan 0.000 0.542 177 L N 0.812 122.028 121.223 -0.010 0.000 2.046 177 L HA 0.003 4.343 4.340 0.000 0.000 0.208 177 L C 2.074 178.940 176.870 -0.006 0.000 1.077 177 L CA 1.889 56.717 54.840 -0.019 0.000 0.747 177 L CB -1.187 40.863 42.059 -0.015 0.000 0.896 177 L HN 0.865 nan 8.230 nan 0.000 0.432 178 D N -0.736 119.674 120.400 0.017 0.000 2.390 178 D HA -0.116 4.524 4.640 0.000 0.000 0.235 178 D C 1.498 177.812 176.300 0.023 0.000 1.040 178 D CA 0.461 54.508 54.000 0.078 0.000 0.923 178 D CB 0.342 41.231 40.800 0.148 0.000 0.886 178 D HN 0.596 nan 8.370 nan 0.000 0.532 179 E N -0.961 119.174 120.200 -0.108 0.000 2.391 179 E HA 0.116 4.466 4.350 0.000 0.000 0.206 179 E C 1.981 178.654 176.600 0.122 0.000 0.851 179 E CA -0.340 55.949 56.400 -0.185 0.000 1.059 179 E CB 0.565 30.114 29.700 -0.251 0.000 1.065 179 E HN 0.132 nan 8.360 nan 0.000 0.512 180 L N 1.156 122.392 121.223 0.021 0.000 2.046 180 L HA -0.158 4.182 4.340 0.000 0.000 0.208 180 L C 2.188 179.050 176.870 -0.014 0.000 1.077 180 L CA 1.271 56.081 54.840 -0.050 0.000 0.747 180 L CB -0.106 41.880 42.059 -0.123 0.000 0.896 180 L HN 0.205 nan 8.230 nan 0.000 0.432 181 I N -1.182 119.406 120.570 0.029 0.000 2.286 181 I HA -0.353 3.817 4.170 0.000 0.000 0.248 181 I C 2.284 178.473 176.117 0.120 0.000 1.115 181 I CA 1.338 62.658 61.300 0.033 0.000 1.392 181 I CB -0.220 37.797 38.000 0.028 0.000 1.065 181 I HN 0.188 nan 8.210 nan 0.000 0.418 182 F N 1.392 121.387 119.950 0.074 0.000 2.163 182 F HA -0.129 4.398 4.527 0.001 0.000 0.297 182 F C 2.434 178.329 175.800 0.157 0.000 1.094 182 F CA 1.189 59.272 58.000 0.138 0.000 1.290 182 F CB -0.326 38.817 39.000 0.239 0.000 1.017 182 F HN -0.006 nan 8.300 nan 0.000 0.483 183 A N 0.077 123.046 122.820 0.249 0.000 1.883 183 A HA -0.249 4.071 4.320 0.000 0.000 0.217 183 A C 2.253 179.771 177.584 -0.110 0.000 1.186 183 A CA 2.731 54.814 52.037 0.076 0.000 0.624 183 A CB -1.669 17.324 19.000 -0.012 0.000 0.822 183 A HN 0.526 nan 8.150 nan 0.000 0.444 184 T N -2.097 112.408 114.554 -0.082 0.000 2.904 184 T HA -0.060 4.291 4.350 0.000 0.000 0.267 184 T C 1.770 176.476 174.700 0.009 0.000 1.059 184 T CA 1.493 63.562 62.100 -0.052 0.000 1.137 184 T CB -0.208 68.633 68.868 -0.045 0.000 0.879 184 T HN 0.545 nan 8.240 nan 0.000 0.467 185 K N 0.158 120.555 120.400 -0.005 0.000 2.076 185 K HA 0.175 4.495 4.320 0.000 0.000 0.204 185 K C 2.431 179.136 176.600 0.175 0.000 1.051 185 K CA 0.820 57.179 56.287 0.119 0.000 0.949 185 K CB -0.176 32.362 32.500 0.063 0.000 0.726 185 K HN 0.201 nan 8.250 nan 0.000 0.443 186 M N 0.701 120.226 119.600 -0.125 0.000 2.159 186 M HA -0.079 4.401 4.480 0.000 0.000 0.263 186 M C 2.383 178.548 176.300 -0.224 0.000 1.063 186 M CA 1.352 56.493 55.300 -0.264 0.000 1.110 186 M CB -0.974 31.324 32.600 -0.504 0.000 1.374 186 M HN 0.151 nan 8.290 nan 0.000 0.411 187 A N -0.964 121.711 122.820 -0.240 0.000 1.898 187 A HA -0.205 4.115 4.320 0.000 0.000 0.216 187 A C 2.149 179.624 177.584 -0.182 0.000 1.181 187 A CA 1.762 53.556 52.037 -0.406 0.000 0.620 187 A CB -1.150 17.280 19.000 -0.950 0.000 0.819 187 A HN 0.623 nan 8.150 nan 0.000 0.442 188 H N -0.364 118.721 119.070 0.025 0.000 2.267 188 H HA -0.182 4.374 4.556 0.000 0.000 0.297 188 H C 2.362 177.624 175.328 -0.110 0.000 1.080 188 H CA 1.827 57.866 56.048 -0.014 0.000 1.278 188 H CB -0.212 29.526 29.762 -0.040 0.000 1.365 188 H HN 0.448 nan 8.280 nan 0.000 0.489 189 R N 0.224 120.562 120.500 -0.272 0.000 2.165 189 R HA -0.172 4.168 4.340 0.000 0.000 0.254 189 R C 1.059 177.122 176.300 -0.396 0.000 1.153 189 R CA 2.094 57.896 56.100 -0.497 0.000 0.971 189 R CB -0.084 29.764 30.300 -0.754 0.000 0.878 189 R HN 0.411 nan 8.270 nan 0.000 0.449 190 N N -0.249 118.267 118.700 -0.307 0.000 2.314 190 N HA 0.080 4.820 4.740 0.000 0.000 0.200 190 N C -0.924 174.411 175.510 -0.292 0.000 1.135 190 N CA 0.548 53.452 53.050 -0.243 0.000 0.835 190 N CB 1.101 39.507 38.487 -0.136 0.000 0.989 190 N HN 0.200 nan 8.380 nan 0.000 0.478 191 A N 1.855 124.477 122.820 -0.331 0.000 2.391 191 A HA 0.323 4.643 4.320 0.000 0.000 0.316 191 A C -1.162 176.276 177.584 -0.242 0.000 1.381 191 A CA -1.209 50.593 52.037 -0.391 0.000 0.998 191 A CB 0.735 19.533 19.000 -0.337 0.000 1.147 191 A HN -0.028 nan 8.150 nan 0.000 0.545 192 P HA -0.132 nan 4.420 nan 0.000 0.222 192 P C 0.802 178.037 177.300 -0.109 0.000 1.147 192 P CA 0.973 63.995 63.100 -0.129 0.000 0.790 192 P CB 0.224 31.856 31.700 -0.113 0.000 0.780 193 R N -1.264 119.132 120.500 -0.174 0.000 2.356 193 R HA 0.169 4.509 4.340 0.000 0.000 0.234 193 R C 0.215 176.517 176.300 0.003 0.000 0.929 193 R CA -0.175 55.853 56.100 -0.121 0.000 1.084 193 R CB -0.333 29.689 30.300 -0.463 0.000 1.105 193 R HN 0.158 nan 8.270 nan 0.000 0.515 194 C N 0.453 119.728 119.300 -0.041 0.000 2.319 194 C HA 0.397 4.857 4.460 0.000 0.000 0.323 194 C C 1.656 176.646 174.990 -0.000 0.000 1.277 194 C CA -0.915 58.103 59.018 -0.000 0.000 1.517 194 C CB 0.084 27.826 27.740 0.003 0.000 2.206 194 C HN 0.491 nan 8.230 nan 0.000 0.486 195 I N 4.075 124.625 120.570 -0.033 0.000 2.617 195 I HA 0.111 4.281 4.170 0.000 0.000 0.256 195 I C 2.174 178.398 176.117 0.179 0.000 1.167 195 I CA 1.336 62.618 61.300 -0.030 0.000 1.469 195 I CB -0.675 37.271 38.000 -0.090 0.000 1.098 195 I HN 0.881 nan 8.210 nan 0.000 0.436 196 G N 1.003 109.846 108.800 0.072 0.000 3.124 196 G HA2 -0.033 3.927 3.960 0.000 0.000 0.212 196 G HA3 -0.033 3.927 3.960 0.000 0.000 0.212 196 G C 1.533 176.423 174.900 -0.016 0.000 1.181 196 G CA -0.295 44.815 45.100 0.017 0.000 0.803 196 G HN 0.288 nan 8.290 nan 0.000 0.529 197 R N -0.481 119.952 120.500 -0.111 0.000 2.328 197 R HA 0.020 4.360 4.340 0.000 0.000 0.207 197 R C 2.107 177.969 176.300 -0.730 0.000 1.056 197 R CA 0.116 55.931 56.100 -0.475 0.000 1.016 197 R CB -0.198 29.796 30.300 -0.510 0.000 0.872 197 R HN 0.427 nan 8.270 nan 0.000 0.471 198 I N 1.206 121.433 120.570 -0.572 0.000 2.248 198 I HA -0.292 3.879 4.170 0.000 0.000 0.248 198 I C 1.422 177.544 176.117 0.009 0.000 1.107 198 I CA 1.710 62.841 61.300 -0.281 0.000 1.373 198 I CB 0.070 38.051 38.000 -0.031 0.000 1.055 198 I HN 0.105 nan 8.210 nan 0.000 0.418 199 Q N 0.375 120.187 119.800 0.021 0.000 2.282 199 Q HA -0.060 4.281 4.340 0.000 0.000 0.205 199 Q C 1.404 177.437 176.000 0.055 0.000 0.915 199 Q CA 0.172 55.998 55.803 0.037 0.000 0.949 199 Q CB -0.354 28.381 28.738 -0.005 0.000 1.035 199 Q HN 0.815 nan 8.270 nan 0.000 0.484 200 W N -0.866 120.414 121.300 -0.033 0.000 2.465 200 W HA -0.017 4.644 4.660 0.000 0.000 0.268 200 W C 1.222 177.768 176.519 0.046 0.000 1.242 200 W CA 0.536 57.929 57.345 0.080 0.000 1.248 200 W CB -0.977 28.398 29.460 -0.141 0.000 1.118 200 W HN 0.017 nan 8.180 nan 0.000 0.587 201 S N 1.685 116.819 115.700 -0.944 0.000 2.387 201 S HA -0.090 4.380 4.470 0.000 0.000 0.226 201 S C 0.675 175.051 174.600 -0.373 0.000 1.026 201 S CA 0.598 58.273 58.200 -0.875 0.000 0.972 201 S CB -0.528 62.133 63.200 -0.897 0.000 0.814 201 S HN 0.137 nan 8.310 nan 0.000 0.477 202 N N 2.314 120.875 118.700 -0.231 0.000 2.605 202 N HA 0.306 5.047 4.740 0.000 0.000 0.258 202 N C -0.976 174.476 175.510 -0.096 0.000 1.156 202 N CA 0.010 52.988 53.050 -0.119 0.000 1.008 202 N CB 0.697 39.160 38.487 -0.041 0.000 1.354 202 N HN 0.240 nan 8.380 nan 0.000 0.509 203 L N 1.368 122.522 121.223 -0.115 0.000 2.408 203 L HA 0.417 4.757 4.340 0.000 0.000 0.268 203 L C -0.660 176.123 176.870 -0.145 0.000 0.986 203 L CA -0.789 53.980 54.840 -0.118 0.000 0.820 203 L CB 2.150 44.133 42.059 -0.127 0.000 1.303 203 L HN 0.212 nan 8.230 nan 0.000 0.411 204 Q N 2.673 122.366 119.800 -0.178 0.000 2.257 204 Q HA 0.639 4.979 4.340 0.000 0.000 0.255 204 Q C -1.725 173.984 176.000 -0.484 0.000 0.920 204 Q CA -0.238 55.339 55.803 -0.376 0.000 0.927 204 Q CB 1.604 30.032 28.738 -0.516 0.000 1.229 204 Q HN 0.538 nan 8.270 nan 0.000 0.433 205 V N 5.686 125.286 119.914 -0.523 0.000 2.409 205 V HA 0.446 4.567 4.120 0.000 0.000 0.291 205 V C -1.008 174.773 176.094 -0.522 0.000 1.020 205 V CA -0.585 61.466 62.300 -0.416 0.000 0.848 205 V CB 0.904 32.585 31.823 -0.236 0.000 0.990 205 V HN 0.675 nan 8.190 nan 0.000 0.430 206 F N 2.858 122.697 119.950 -0.185 0.000 2.334 206 F HA 0.360 4.887 4.527 0.000 0.000 0.367 206 F C 0.515 176.174 175.800 -0.236 0.000 1.115 206 F CA -1.018 56.871 58.000 -0.186 0.000 1.116 206 F CB 0.942 39.851 39.000 -0.151 0.000 1.230 206 F HN 0.431 nan 8.300 nan 0.000 0.484 207 D N 3.393 123.771 120.400 -0.037 0.000 2.374 207 D HA 0.322 4.963 4.640 0.000 0.000 0.240 207 D C 0.281 176.475 176.300 -0.177 0.000 1.229 207 D CA 0.169 54.095 54.000 -0.123 0.000 0.895 207 D CB 0.961 41.714 40.800 -0.078 0.000 1.046 207 D HN 0.595 nan 8.370 nan 0.000 0.498 208 A N 4.597 127.187 122.820 -0.382 0.000 2.630 208 A HA 0.151 4.471 4.320 0.000 0.000 0.290 208 A C 1.714 179.129 177.584 -0.281 0.000 1.267 208 A CA -0.408 51.285 52.037 -0.574 0.000 0.950 208 A CB 0.021 18.193 19.000 -1.380 0.000 1.144 208 A HN 0.544 nan 8.150 nan 0.000 0.527 209 R N 1.058 121.456 120.500 -0.171 0.000 2.249 209 R HA -0.141 4.199 4.340 0.000 0.000 0.230 209 R C 1.257 177.510 176.300 -0.078 0.000 1.121 209 R CA 1.359 57.404 56.100 -0.092 0.000 0.997 209 R CB -0.098 30.181 30.300 -0.035 0.000 0.867 209 R HN 0.737 nan 8.270 nan 0.000 0.465 210 N N 0.104 118.781 118.700 -0.039 0.000 2.398 210 N HA -0.065 4.675 4.740 0.000 0.000 0.188 210 N C 0.204 175.750 175.510 0.061 0.000 1.122 210 N CA -0.087 52.971 53.050 0.014 0.000 0.866 210 N CB -0.388 38.124 38.487 0.041 0.000 0.970 210 N HN 0.020 nan 8.380 nan 0.000 0.462 211 C N 1.276 120.611 119.300 0.060 0.000 2.676 211 C HA 0.379 4.839 4.460 0.000 0.000 0.416 211 C C 1.794 176.940 174.990 0.259 0.000 1.299 211 C CA 0.475 59.612 59.018 0.200 0.000 2.048 211 C CB -0.054 27.883 27.740 0.328 0.000 2.713 211 C HN 0.664 nan 8.230 nan 0.000 0.624 212 S N 1.493 117.396 115.700 0.339 0.000 2.692 212 S HA 0.169 4.639 4.470 0.000 0.000 0.269 212 S C 0.315 175.074 174.600 0.265 0.000 1.080 212 S CA 0.388 58.824 58.200 0.392 0.000 1.058 212 S CB -0.270 63.065 63.200 0.225 0.000 0.982 212 S HN 0.941 nan 8.310 nan 0.000 0.534 213 T N -0.563 114.113 114.554 0.202 0.000 2.944 213 T HA 0.852 5.202 4.350 0.000 0.000 0.284 213 T C 1.396 176.150 174.700 0.090 0.000 1.010 213 T CA -0.208 61.959 62.100 0.110 0.000 1.025 213 T CB 1.435 70.368 68.868 0.108 0.000 1.079 213 T HN 0.264 nan 8.240 nan 0.000 0.516 214 A N 0.735 123.591 122.820 0.060 0.000 1.851 214 A HA -0.136 4.184 4.320 0.000 0.000 0.216 214 A C 2.336 179.939 177.584 0.032 0.000 1.195 214 A CA 2.162 54.253 52.037 0.090 0.000 0.622 214 A CB -1.474 17.675 19.000 0.248 0.000 0.831 214 A HN 0.933 nan 8.150 nan 0.000 0.444 215 Q N 0.060 119.918 119.800 0.098 0.000 2.268 215 Q HA -0.220 4.120 4.340 0.000 0.000 0.210 215 Q C 1.669 177.692 176.000 0.039 0.000 0.988 215 Q CA 2.314 58.122 55.803 0.008 0.000 0.883 215 Q CB -0.359 28.459 28.738 0.133 0.000 0.911 215 Q HN 0.793 nan 8.270 nan 0.000 0.430 216 E N -1.060 119.199 120.200 0.098 0.000 2.299 216 E HA -0.044 4.306 4.350 0.000 0.000 0.193 216 E C 1.827 178.608 176.600 0.302 0.000 0.998 216 E CA 0.600 57.103 56.400 0.172 0.000 0.851 216 E CB -0.006 29.823 29.700 0.215 0.000 0.795 216 E HN 0.472 nan 8.360 nan 0.000 0.492 217 M N -0.053 119.664 119.600 0.195 0.000 2.160 217 M HA -0.068 4.412 4.480 0.000 0.000 0.264 217 M C 2.097 178.499 176.300 0.170 0.000 1.073 217 M CA 1.170 56.567 55.300 0.161 0.000 1.142 217 M CB -0.100 32.373 32.600 -0.211 0.000 1.358 217 M HN 0.133 nan 8.290 nan 0.000 0.422 218 F N 1.040 120.852 119.950 -0.230 0.000 2.293 218 F HA -0.187 4.340 4.527 0.000 0.000 0.300 218 F C 2.139 177.816 175.800 -0.204 0.000 1.086 218 F CA 1.380 59.155 58.000 -0.375 0.000 1.375 218 F CB -0.064 38.272 39.000 -1.107 0.000 1.045 218 F HN 0.160 nan 8.300 nan 0.000 0.516 219 Q N -0.558 119.094 119.800 -0.246 0.000 2.020 219 Q HA -0.190 4.150 4.340 0.000 0.000 0.198 219 Q C 2.155 177.980 176.000 -0.293 0.000 0.974 219 Q CA 1.553 57.160 55.803 -0.327 0.000 0.829 219 Q CB -0.520 28.097 28.738 -0.203 0.000 0.894 219 Q HN 0.520 nan 8.270 nan 0.000 0.433 220 H N 0.425 119.440 119.070 -0.091 0.000 2.353 220 H HA -0.143 4.413 4.556 0.000 0.000 0.298 220 H C 2.183 177.436 175.328 -0.124 0.000 1.103 220 H CA 1.418 57.408 56.048 -0.096 0.000 1.293 220 H CB -0.121 29.670 29.762 0.049 0.000 1.372 220 H HN 0.248 nan 8.280 nan 0.000 0.501 221 I N -0.078 120.530 120.570 0.063 0.000 2.179 221 I HA -0.305 3.865 4.170 0.000 0.000 0.242 221 I C 2.775 178.823 176.117 -0.116 0.000 1.088 221 I CA 0.879 62.172 61.300 -0.012 0.000 1.357 221 I CB -0.229 37.769 38.000 -0.003 0.000 1.051 221 I HN 0.239 nan 8.210 nan 0.000 0.409 222 C N 0.297 119.425 119.300 -0.286 0.000 2.413 222 C HA -0.198 4.262 4.460 0.000 0.000 0.276 222 C C 2.979 177.862 174.990 -0.178 0.000 1.236 222 C CA 1.321 60.169 59.018 -0.283 0.000 1.735 222 C CB -1.215 26.252 27.740 -0.455 0.000 2.031 222 C HN 0.497 nan 8.230 nan 0.000 0.474 223 R N 0.322 120.688 120.500 -0.225 0.000 2.096 223 R HA -0.235 4.105 4.340 0.000 0.000 0.240 223 R C 2.133 178.303 176.300 -0.216 0.000 1.139 223 R CA 2.469 58.419 56.100 -0.250 0.000 0.952 223 R CB -0.843 29.221 30.300 -0.393 0.000 0.854 223 R HN 0.783 nan 8.270 nan 0.000 0.436 224 H N -0.055 118.818 119.070 -0.329 0.000 2.267 224 H HA -0.124 4.432 4.556 0.000 0.000 0.297 224 H C 2.076 177.423 175.328 0.032 0.000 1.080 224 H CA 2.617 58.560 56.048 -0.175 0.000 1.278 224 H CB -0.188 29.519 29.762 -0.091 0.000 1.365 224 H HN 0.248 nan 8.280 nan 0.000 0.489 225 I N -0.087 120.636 120.570 0.256 0.000 2.145 225 I HA -0.300 3.870 4.170 0.000 0.000 0.244 225 I C 2.456 178.633 176.117 0.100 0.000 1.075 225 I CA 1.387 62.795 61.300 0.180 0.000 1.332 225 I CB -0.279 37.755 38.000 0.058 0.000 1.033 225 I HN 0.368 nan 8.210 nan 0.000 0.410 226 L N -0.197 121.056 121.223 0.050 0.000 2.093 226 L HA -0.242 4.098 4.340 0.000 0.000 0.208 226 L C 2.397 179.303 176.870 0.060 0.000 1.085 226 L CA 1.776 56.636 54.840 0.034 0.000 0.755 226 L CB -0.910 41.151 42.059 0.003 0.000 0.904 226 L HN 0.271 nan 8.230 nan 0.000 0.435 227 Y N 0.487 120.779 120.300 -0.012 0.000 2.089 227 Y HA -0.177 4.374 4.550 0.001 0.000 0.282 227 Y C 2.471 178.387 175.900 0.027 0.000 1.139 227 Y CA 2.122 60.243 58.100 0.035 0.000 1.123 227 Y CB -0.780 37.769 38.460 0.148 0.000 0.980 227 Y HN 0.209 nan 8.280 nan 0.000 0.493 228 A N -0.626 122.236 122.820 0.069 0.000 1.986 228 A HA -0.220 4.100 4.320 0.000 0.000 0.220 228 A C 2.158 179.725 177.584 -0.028 0.000 1.171 228 A CA 2.414 54.448 52.037 -0.004 0.000 0.640 228 A CB -1.323 17.738 19.000 0.102 0.000 0.811 228 A HN 0.588 nan 8.150 nan 0.000 0.451 229 T N -0.576 113.976 114.554 -0.004 0.000 2.851 229 T HA -0.049 4.302 4.350 0.000 0.000 0.262 229 T C 1.109 175.789 174.700 -0.033 0.000 1.043 229 T CA 0.922 63.031 62.100 0.016 0.000 1.140 229 T CB -0.303 68.586 68.868 0.035 0.000 0.872 229 T HN 0.575 nan 8.240 nan 0.000 0.446 230 N N 1.574 120.223 118.700 -0.084 0.000 2.710 230 N HA -0.245 4.495 4.740 0.000 0.000 0.249 230 N C 0.010 175.483 175.510 -0.061 0.000 1.059 230 N CA 0.982 53.968 53.050 -0.106 0.000 0.720 230 N CB -1.787 36.596 38.487 -0.172 0.000 0.983 230 N HN 0.511 nan 8.380 nan 0.000 0.544 231 N N -1.648 117.030 118.700 -0.036 0.000 2.754 231 N HA -0.193 4.547 4.740 0.000 0.000 0.248 231 N C 0.877 176.368 175.510 -0.032 0.000 1.093 231 N CA 2.386 55.419 53.050 -0.029 0.000 0.699 231 N CB -1.252 37.216 38.487 -0.031 0.000 1.016 231 N HN 1.112 nan 8.380 nan 0.000 0.552 232 G N -0.610 108.178 108.800 -0.021 0.000 2.232 232 G HA2 -0.332 3.628 3.960 0.000 0.000 0.226 232 G HA3 -0.332 3.628 3.960 0.000 0.000 0.226 232 G C 0.030 174.918 174.900 -0.019 0.000 0.996 232 G CA 0.193 45.284 45.100 -0.016 0.000 0.626 232 G HN 0.700 nan 8.290 nan 0.000 0.509 233 N N 1.710 120.383 118.700 -0.046 0.000 2.968 233 N HA 0.348 5.089 4.740 0.000 0.000 0.271 233 N C 0.603 176.072 175.510 -0.068 0.000 1.174 233 N CA -0.693 52.313 53.050 -0.074 0.000 1.096 233 N CB -0.142 38.294 38.487 -0.086 0.000 1.403 233 N HN 0.218 nan 8.380 nan 0.000 0.522 234 I N 2.702 123.262 120.570 -0.017 0.000 2.741 234 I HA -0.023 4.147 4.170 0.000 0.000 0.288 234 I C 0.841 177.033 176.117 0.126 0.000 1.192 234 I CA 0.612 61.967 61.300 0.091 0.000 1.426 234 I CB -0.086 38.068 38.000 0.256 0.000 1.367 234 I HN 0.314 nan 8.210 nan 0.000 0.563 235 R N 3.930 124.452 120.500 0.038 0.000 2.407 235 R HA 0.308 4.648 4.340 0.000 0.000 0.303 235 R C -0.155 176.240 176.300 0.158 0.000 0.981 235 R CA -0.671 55.453 56.100 0.042 0.000 0.905 235 R CB 1.771 31.878 30.300 -0.322 0.000 1.099 235 R HN 0.545 nan 8.270 nan 0.000 0.459 236 S N 1.285 117.096 115.700 0.185 0.000 2.488 236 S HA 0.449 4.919 4.470 0.000 0.000 0.278 236 S C -0.550 174.095 174.600 0.076 0.000 1.259 236 S CA -0.235 58.005 58.200 0.067 0.000 1.061 236 S CB 0.334 63.492 63.200 -0.071 0.000 0.910 236 S HN 0.667 nan 8.310 nan 0.000 0.491 237 A N 4.645 127.502 122.820 0.062 0.000 2.566 237 A HA 0.856 5.177 4.320 0.000 0.000 0.292 237 A C -1.189 176.477 177.584 0.138 0.000 1.112 237 A CA -0.736 51.298 52.037 -0.004 0.000 0.707 237 A CB 1.249 20.209 19.000 -0.068 0.000 1.302 237 A HN 0.858 nan 8.150 nan 0.000 0.409 238 I N 0.165 120.807 120.570 0.121 0.000 2.656 238 I HA 0.544 4.714 4.170 0.000 0.000 0.292 238 I C -1.184 175.081 176.117 0.248 0.000 1.144 238 I CA -0.114 61.342 61.300 0.260 0.000 1.038 238 I CB 2.396 40.452 38.000 0.094 0.000 1.244 238 I HN 0.568 nan 8.210 nan 0.000 0.420 239 T N 6.455 121.155 114.554 0.243 0.000 2.788 239 T HA 0.419 4.769 4.350 0.000 0.000 0.296 239 T C -0.616 173.933 174.700 -0.252 0.000 1.009 239 T CA -0.303 61.806 62.100 0.014 0.000 0.949 239 T CB 1.091 69.922 68.868 -0.061 0.000 0.946 239 T HN 0.266 nan 8.240 nan 0.000 0.453 240 V N 5.506 125.225 119.914 -0.326 0.000 2.383 240 V HA 0.493 4.613 4.120 0.000 0.000 0.275 240 V C -0.222 175.625 176.094 -0.412 0.000 1.036 240 V CA -0.720 61.384 62.300 -0.327 0.000 0.889 240 V CB 0.108 31.702 31.823 -0.383 0.000 0.985 240 V HN 0.680 nan 8.190 nan 0.000 0.459 241 F N 5.062 124.976 119.950 -0.061 0.000 2.377 241 F HA 0.562 5.089 4.527 0.000 0.000 0.335 241 F C -1.959 173.776 175.800 -0.108 0.000 1.099 241 F CA -2.394 55.526 58.000 -0.132 0.000 1.072 241 F CB 0.439 39.389 39.000 -0.084 0.000 1.417 241 F HN 0.288 nan 8.300 nan 0.000 0.495 242 P HA 0.056 nan 4.420 nan 0.000 0.267 242 P C -1.207 176.071 177.300 -0.038 0.000 1.205 242 P CA -0.352 62.627 63.100 -0.202 0.000 0.765 242 P CB 0.201 31.544 31.700 -0.597 0.000 0.828 243 Q N 3.384 123.155 119.800 -0.048 0.000 2.386 243 Q HA 0.027 4.367 4.340 0.000 0.000 0.282 243 Q C 0.221 176.113 176.000 -0.180 0.000 1.050 243 Q CA -0.328 55.251 55.803 -0.372 0.000 0.918 243 Q CB 0.752 29.033 28.738 -0.760 0.000 1.266 243 Q HN 0.377 nan 8.270 nan 0.000 0.423 244 R N 1.296 121.695 120.500 -0.168 0.000 2.698 244 R HA -0.037 4.303 4.340 0.000 0.000 0.266 244 R C -0.050 176.214 176.300 -0.061 0.000 1.026 244 R CA 0.940 57.010 56.100 -0.049 0.000 1.102 244 R CB 0.482 30.753 30.300 -0.048 0.000 0.978 244 R HN 0.986 nan 8.270 nan 0.000 0.436 245 S N 1.552 117.262 115.700 0.017 0.000 3.386 245 S HA -0.027 4.443 4.470 0.000 0.000 0.181 245 S C 0.904 175.525 174.600 0.035 0.000 0.763 245 S CA 0.107 58.322 58.200 0.025 0.000 0.847 245 S CB -0.124 63.118 63.200 0.071 0.000 0.980 245 S HN 0.826 nan 8.310 nan 0.000 0.676 246 D N 0.640 121.084 120.400 0.075 0.000 2.367 246 D HA 0.272 4.912 4.640 0.000 0.000 0.207 246 D C 1.506 177.804 176.300 -0.003 0.000 1.034 246 D CA 1.085 55.110 54.000 0.043 0.000 0.861 246 D CB 0.002 40.848 40.800 0.077 0.000 0.943 246 D HN 0.915 nan 8.370 nan 0.000 0.515 247 G N 1.015 109.814 108.800 -0.002 0.000 2.234 247 G HA2 -0.302 3.658 3.960 0.000 0.000 0.235 247 G HA3 -0.302 3.658 3.960 0.000 0.000 0.235 247 G C 1.079 175.934 174.900 -0.075 0.000 0.997 247 G CA 0.286 45.369 45.100 -0.028 0.000 0.623 247 G HN 0.416 nan 8.290 nan 0.000 0.514 248 K N 0.136 120.433 120.400 -0.172 0.000 2.358 248 K HA 0.212 4.532 4.320 0.000 0.000 0.197 248 K C 0.493 176.766 176.600 -0.545 0.000 1.025 248 K CA 0.009 56.088 56.287 -0.345 0.000 1.104 248 K CB 0.133 32.385 32.500 -0.413 0.000 0.855 248 K HN 0.521 nan 8.250 nan 0.000 0.531 249 H N 0.292 119.393 119.070 0.053 0.000 2.562 249 H HA 0.156 4.712 4.556 0.000 0.000 0.249 249 H C -0.818 174.592 175.328 0.138 0.000 1.195 249 H CA -0.600 55.494 56.048 0.076 0.000 0.938 249 H CB 0.150 29.968 29.762 0.094 0.000 1.891 249 H HN 0.014 nan 8.280 nan 0.000 0.595 250 D N 1.011 121.507 120.400 0.160 0.000 2.487 250 D HA -0.013 4.627 4.640 0.000 0.000 0.243 250 D C 0.110 176.533 176.300 0.204 0.000 1.154 250 D CA 0.546 54.665 54.000 0.199 0.000 0.876 250 D CB 0.348 41.219 40.800 0.120 0.000 1.161 250 D HN 0.037 nan 8.370 nan 0.000 0.478 251 F N 3.062 123.059 119.950 0.078 0.000 2.410 251 F HA 0.380 4.908 4.527 0.000 0.000 0.348 251 F C 1.194 177.028 175.800 0.058 0.000 1.106 251 F CA -0.291 57.730 58.000 0.035 0.000 1.163 251 F CB 0.684 39.682 39.000 -0.003 0.000 1.129 251 F HN 0.244 nan 8.300 nan 0.000 0.516 252 R N 2.183 122.790 120.500 0.179 0.000 2.728 252 R HA 0.549 4.890 4.340 0.000 0.000 0.259 252 R C -2.481 173.965 176.300 0.243 0.000 1.057 252 R CA -1.079 55.141 56.100 0.201 0.000 0.908 252 R CB 0.604 31.018 30.300 0.190 0.000 1.259 252 R HN 0.378 nan 8.270 nan 0.000 0.472 253 L N 1.509 122.865 121.223 0.222 0.000 2.305 253 L HA 0.335 4.675 4.340 0.000 0.000 0.281 253 L C 0.381 177.485 176.870 0.391 0.000 1.085 253 L CA -0.072 54.922 54.840 0.257 0.000 0.813 253 L CB 0.296 42.440 42.059 0.142 0.000 1.157 253 L HN 0.621 nan 8.230 nan 0.000 0.436 254 W N 0.572 121.924 121.300 0.086 0.000 3.047 254 W HA 0.106 4.766 4.660 0.000 0.000 0.250 254 W C 0.318 176.793 176.519 -0.074 0.000 1.314 254 W CA -0.562 56.880 57.345 0.161 0.000 1.540 254 W CB -0.946 28.715 29.460 0.336 0.000 1.127 254 W HN 0.479 nan 8.180 nan 0.000 0.679 255 N N -0.394 118.339 118.700 0.055 0.000 2.518 255 N HA 0.077 4.817 4.740 0.000 0.000 0.283 255 N C 1.196 176.571 175.510 -0.224 0.000 1.119 255 N CA 0.340 53.226 53.050 -0.273 0.000 0.983 255 N CB 1.107 39.566 38.487 -0.048 0.000 1.139 255 N HN -0.238 nan 8.380 nan 0.000 0.465 256 S N 1.177 116.701 115.700 -0.294 0.000 2.348 256 S HA -0.173 4.297 4.470 0.000 0.000 0.221 256 S C 0.484 175.018 174.600 -0.109 0.000 1.033 256 S CA 1.059 59.178 58.200 -0.136 0.000 1.010 256 S CB -0.456 62.700 63.200 -0.074 0.000 0.891 256 S HN 0.792 nan 8.310 nan 0.000 0.442 257 Q N -0.722 119.008 119.800 -0.117 0.000 2.456 257 Q HA 0.561 4.901 4.340 0.000 0.000 0.283 257 Q C -0.052 175.845 176.000 -0.171 0.000 1.084 257 Q CA -1.002 54.715 55.803 -0.143 0.000 0.801 257 Q CB 0.976 29.659 28.738 -0.091 0.000 1.434 257 Q HN -0.073 nan 8.270 nan 0.000 0.419 258 L N 0.760 121.866 121.223 -0.195 0.000 1.933 258 L HA -0.044 4.296 4.340 0.000 0.000 0.220 258 L C 0.977 177.710 176.870 -0.227 0.000 1.078 258 L CA 1.803 56.538 54.840 -0.175 0.000 0.773 258 L CB -0.557 41.396 42.059 -0.176 0.000 0.890 258 L HN 0.668 nan 8.230 nan 0.000 0.434 259 I N -0.808 119.535 120.570 -0.379 0.000 2.365 259 I HA 0.386 4.556 4.170 0.000 0.000 0.291 259 I C -0.050 175.406 176.117 -1.101 0.000 1.004 259 I CA -0.364 60.564 61.300 -0.619 0.000 1.311 259 I CB 1.161 38.760 38.000 -0.668 0.000 1.401 259 I HN 0.166 nan 8.210 nan 0.000 0.491 260 R N 5.196 125.196 120.500 -0.833 0.000 2.764 260 R HA 0.325 4.665 4.340 0.000 0.000 0.250 260 R C -2.021 174.164 176.300 -0.192 0.000 1.122 260 R CA -0.701 55.121 56.100 -0.463 0.000 1.022 260 R CB 0.616 30.817 30.300 -0.165 0.000 1.266 260 R HN 0.338 nan 8.270 nan 0.000 0.454 261 Y N 1.929 122.355 120.300 0.209 0.000 2.301 261 Y HA 0.656 5.207 4.550 0.001 0.000 0.328 261 Y C 1.101 177.072 175.900 0.117 0.000 1.242 261 Y CA 0.195 58.408 58.100 0.188 0.000 1.323 261 Y CB 1.135 39.758 38.460 0.272 0.000 1.266 261 Y HN 0.742 nan 8.280 nan 0.000 0.527 262 A N 0.902 123.864 122.820 0.236 0.000 2.257 262 A HA 0.800 5.120 4.320 0.000 0.000 0.289 262 A C 0.244 177.747 177.584 -0.134 0.000 1.095 262 A CA 0.102 52.113 52.037 -0.044 0.000 0.836 262 A CB 0.160 19.061 19.000 -0.165 0.000 1.111 262 A HN 0.927 nan 8.150 nan 0.000 0.497 263 G N -0.637 107.933 108.800 -0.384 0.000 2.740 263 G HA2 0.588 4.548 3.960 0.000 0.000 0.296 263 G HA3 0.588 4.548 3.960 0.000 0.000 0.296 263 G C -1.525 173.164 174.900 -0.352 0.000 1.439 263 G CA -0.357 44.586 45.100 -0.261 0.000 1.066 263 G HN 0.544 nan 8.290 nan 0.000 0.527 264 Y N -0.100 120.257 120.300 0.096 0.000 2.562 264 Y HA 0.602 5.152 4.550 0.000 0.000 0.343 264 Y C 0.303 176.267 175.900 0.106 0.000 1.025 264 Y CA -1.679 56.500 58.100 0.132 0.000 1.082 264 Y CB 2.302 40.915 38.460 0.256 0.000 1.264 264 Y HN 0.448 nan 8.280 nan 0.000 0.478 265 Q N 1.998 121.951 119.800 0.255 0.000 3.006 265 Q HA 0.340 4.681 4.340 0.000 0.000 0.260 265 Q C -0.846 175.227 176.000 0.122 0.000 1.356 265 Q CA 0.065 55.957 55.803 0.149 0.000 1.070 265 Q CB -0.217 28.583 28.738 0.103 0.000 1.507 265 Q HN 0.737 nan 8.270 nan 0.000 0.568 266 M N 2.994 122.662 119.600 0.113 0.000 2.245 266 M HA 0.018 4.498 4.480 0.000 0.000 0.312 266 M C -1.108 175.196 176.300 0.008 0.000 1.070 266 M CA -0.915 54.405 55.300 0.034 0.000 1.162 266 M CB 0.482 33.086 32.600 0.007 0.000 1.448 266 M HN 0.377 nan 8.290 nan 0.000 0.446 267 P HA -0.168 nan 4.420 nan 0.000 0.221 267 P C 0.085 177.376 177.300 -0.016 0.000 1.145 267 P CA 1.318 64.403 63.100 -0.025 0.000 0.795 267 P CB -0.154 31.517 31.700 -0.049 0.000 0.775 268 D N -0.494 119.896 120.400 -0.015 0.000 2.403 268 D HA 0.008 4.649 4.640 0.000 0.000 0.227 268 D C 1.780 178.079 176.300 -0.001 0.000 0.995 268 D CA 1.341 55.335 54.000 -0.010 0.000 0.928 268 D CB -0.735 40.058 40.800 -0.010 0.000 0.887 268 D HN 0.282 nan 8.370 nan 0.000 0.529 269 G N 0.316 109.119 108.800 0.005 0.000 2.225 269 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 269 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 269 G C 0.838 175.749 174.900 0.018 0.000 0.988 269 G CA 0.937 46.043 45.100 0.011 0.000 0.625 269 G HN 0.581 nan 8.290 nan 0.000 0.527 270 T N -1.759 112.806 114.554 0.019 0.000 2.924 270 T HA 0.773 5.123 4.350 0.000 0.000 0.301 270 T C 0.261 174.985 174.700 0.039 0.000 1.120 270 T CA 0.010 62.125 62.100 0.025 0.000 0.940 270 T CB 2.240 71.121 68.868 0.021 0.000 1.591 270 T HN 1.361 nan 8.240 nan 0.000 0.578 271 I N -0.721 119.875 120.570 0.043 0.000 2.710 271 I HA 0.542 4.712 4.170 0.000 0.000 0.290 271 I C -1.213 174.939 176.117 0.058 0.000 1.318 271 I CA -0.883 60.455 61.300 0.063 0.000 1.045 271 I CB 1.980 40.006 38.000 0.044 0.000 1.307 271 I HN 0.758 nan 8.210 nan 0.000 0.424 272 R N 4.786 125.361 120.500 0.125 0.000 2.664 272 R HA 0.798 5.138 4.340 0.000 0.000 0.286 272 R C 0.464 176.836 176.300 0.120 0.000 0.967 272 R CA 0.686 56.859 56.100 0.122 0.000 0.933 272 R CB 1.759 32.160 30.300 0.169 0.000 1.146 272 R HN 1.019 nan 8.270 nan 0.000 0.468 273 G N 2.328 111.118 108.800 -0.017 0.000 2.596 273 G HA2 -0.279 3.681 3.960 0.000 0.000 0.258 273 G HA3 -0.279 3.681 3.960 0.000 0.000 0.258 273 G C -0.923 173.673 174.900 -0.507 0.000 1.207 273 G CA 0.295 45.339 45.100 -0.092 0.000 0.954 273 G HN 0.624 nan 8.290 nan 0.000 0.551 274 D N 1.649 121.912 120.400 -0.230 0.000 2.458 274 D HA 0.665 5.305 4.640 0.000 0.000 0.258 274 D C 1.494 177.752 176.300 -0.070 0.000 1.134 274 D CA 0.836 54.705 54.000 -0.218 0.000 0.915 274 D CB 0.554 41.520 40.800 0.276 0.000 1.028 274 D HN 0.907 nan 8.370 nan 0.000 0.508 275 A N 3.580 126.327 122.820 -0.122 0.000 1.954 275 A HA -0.276 4.044 4.320 0.000 0.000 0.222 275 A C 2.213 179.832 177.584 0.058 0.000 1.199 275 A CA 2.449 54.477 52.037 -0.015 0.000 0.657 275 A CB -0.630 18.366 19.000 -0.007 0.000 0.823 275 A HN 0.632 nan 8.150 nan 0.000 0.463 276 A N -0.676 122.206 122.820 0.103 0.000 1.884 276 A HA -0.193 4.128 4.320 0.000 0.000 0.219 276 A C 2.265 179.941 177.584 0.153 0.000 1.197 276 A CA 2.785 54.916 52.037 0.157 0.000 0.637 276 A CB -1.566 17.556 19.000 0.203 0.000 0.827 276 A HN 1.145 nan 8.150 nan 0.000 0.450 277 T N -2.143 112.497 114.554 0.144 0.000 3.380 277 T HA 0.303 4.653 4.350 0.000 0.000 0.250 277 T C 1.327 176.078 174.700 0.085 0.000 1.082 277 T CA 0.526 62.717 62.100 0.152 0.000 0.968 277 T CB -0.384 68.589 68.868 0.174 0.000 1.027 277 T HN 0.356 nan 8.240 nan 0.000 0.575 278 L N 0.625 121.885 121.223 0.061 0.000 1.989 278 L HA -0.115 4.226 4.340 0.000 0.000 0.211 278 L C 2.766 179.649 176.870 0.021 0.000 1.071 278 L CA 2.214 57.067 54.840 0.022 0.000 0.749 278 L CB -0.350 41.736 42.059 0.045 0.000 0.890 278 L HN 0.455 nan 8.230 nan 0.000 0.431 279 E N -0.899 119.340 120.200 0.066 0.000 2.077 279 E HA -0.293 4.057 4.350 0.000 0.000 0.193 279 E C 2.072 178.656 176.600 -0.027 0.000 0.989 279 E CA 1.453 57.879 56.400 0.043 0.000 0.800 279 E CB -0.249 29.518 29.700 0.113 0.000 0.746 279 E HN 0.528 nan 8.360 nan 0.000 0.452 280 F N 1.223 121.075 119.950 -0.164 0.000 2.206 280 F HA -0.062 4.465 4.527 0.000 0.000 0.298 280 F C 2.223 177.886 175.800 -0.228 0.000 1.090 280 F CA 1.621 59.456 58.000 -0.275 0.000 1.323 280 F CB -0.637 38.259 39.000 -0.174 0.000 1.028 280 F HN -0.061 nan 8.300 nan 0.000 0.492 281 T N 0.302 114.702 114.554 -0.255 0.000 2.665 281 T HA -0.332 4.019 4.350 0.000 0.000 0.268 281 T C 1.784 176.304 174.700 -0.300 0.000 1.035 281 T CA 1.958 63.836 62.100 -0.370 0.000 1.151 281 T CB -0.424 68.254 68.868 -0.317 0.000 0.862 281 T HN 0.323 nan 8.240 nan 0.000 0.438 282 Q N 0.632 120.317 119.800 -0.192 0.000 2.112 282 Q HA -0.117 4.223 4.340 0.000 0.000 0.206 282 Q C 2.079 177.969 176.000 -0.183 0.000 0.987 282 Q CA 1.518 57.248 55.803 -0.122 0.000 0.858 282 Q CB -0.815 27.878 28.738 -0.074 0.000 0.905 282 Q HN 0.458 nan 8.270 nan 0.000 0.420 283 L N -0.459 120.580 121.223 -0.306 0.000 2.083 283 L HA -0.139 4.201 4.340 0.000 0.000 0.209 283 L C 2.171 178.852 176.870 -0.315 0.000 1.083 283 L CA 1.677 56.333 54.840 -0.305 0.000 0.752 283 L CB -0.711 41.116 42.059 -0.386 0.000 0.899 283 L HN 0.444 nan 8.230 nan 0.000 0.433 284 C N -0.623 118.377 119.300 -0.499 0.000 2.422 284 C HA -0.119 4.341 4.460 0.000 0.000 0.279 284 C C 2.637 177.576 174.990 -0.085 0.000 1.305 284 C CA 0.179 58.966 59.018 -0.384 0.000 1.757 284 C CB -1.021 26.325 27.740 -0.656 0.000 1.962 284 C HN 0.521 nan 8.230 nan 0.000 0.499 285 I N 1.763 122.307 120.570 -0.044 0.000 2.226 285 I HA -0.130 4.040 4.170 0.000 0.000 0.245 285 I C 1.990 178.089 176.117 -0.029 0.000 1.100 285 I CA 1.669 62.989 61.300 0.034 0.000 1.374 285 I CB -1.598 36.425 38.000 0.038 0.000 1.057 285 I HN 0.313 nan 8.210 nan 0.000 0.413 286 D N 0.869 121.221 120.400 -0.079 0.000 2.263 286 D HA -0.108 4.532 4.640 0.000 0.000 0.208 286 D C 1.755 177.981 176.300 -0.124 0.000 0.971 286 D CA 0.925 54.863 54.000 -0.104 0.000 0.867 286 D CB -0.120 40.605 40.800 -0.125 0.000 0.929 286 D HN 0.360 nan 8.370 nan 0.000 0.492 287 L N -0.943 120.213 121.223 -0.112 0.000 2.791 287 L HA 0.363 4.703 4.340 0.000 0.000 0.239 287 L C 1.181 178.005 176.870 -0.077 0.000 1.203 287 L CA -0.116 54.654 54.840 -0.117 0.000 1.002 287 L CB 0.073 42.052 42.059 -0.133 0.000 1.295 287 L HN -0.012 nan 8.230 nan 0.000 0.504 288 G N -0.623 108.149 108.800 -0.046 0.000 2.147 288 G HA2 -0.316 3.644 3.960 0.000 0.000 0.244 288 G HA3 -0.316 3.644 3.960 0.000 0.000 0.244 288 G C -0.223 174.689 174.900 0.020 0.000 1.005 288 G CA -0.262 44.819 45.100 -0.032 0.000 0.713 288 G HN 0.447 nan 8.290 nan 0.000 0.515 289 W N 1.847 123.064 121.300 -0.138 0.000 2.304 289 W HA 0.573 5.234 4.660 0.000 0.000 0.313 289 W C 0.821 177.282 176.519 -0.097 0.000 1.323 289 W CA -0.802 56.469 57.345 -0.124 0.000 1.223 289 W CB 0.570 29.942 29.460 -0.145 0.000 1.237 289 W HN 0.295 nan 8.180 nan 0.000 0.535 290 K N 8.416 128.444 120.400 -0.620 0.000 2.363 290 K HA 0.226 4.546 4.320 0.000 0.000 0.289 290 K C -2.291 173.686 176.600 -1.038 0.000 1.063 290 K CA -1.164 54.747 56.287 -0.628 0.000 0.967 290 K CB 0.411 32.641 32.500 -0.450 0.000 0.987 290 K HN 0.136 nan 8.250 nan 0.000 0.473 291 P HA 0.102 nan 4.420 nan 0.000 0.271 291 P C -0.649 176.262 177.300 -0.647 0.000 1.233 291 P CA -0.238 62.457 63.100 -0.675 0.000 0.764 291 P CB 0.997 32.262 31.700 -0.725 0.000 0.825 292 R N 2.001 122.220 120.500 -0.469 0.000 2.276 292 R HA 0.062 4.403 4.340 0.000 0.000 0.196 292 R C -0.181 176.031 176.300 -0.146 0.000 0.961 292 R CA -0.086 55.880 56.100 -0.223 0.000 1.024 292 R CB -0.445 29.806 30.300 -0.081 0.000 0.940 292 R HN 0.446 nan 8.270 nan 0.000 0.480 293 Y N -0.051 120.013 120.300 -0.393 0.000 2.945 293 Y HA -0.264 4.287 4.550 0.000 0.000 0.161 293 Y C 0.692 176.435 175.900 -0.262 0.000 1.672 293 Y CA 0.677 58.339 58.100 -0.729 0.000 0.920 293 Y CB -1.568 36.566 38.460 -0.544 0.000 1.489 293 Y HN 0.304 nan 8.280 nan 0.000 0.354 294 G N 1.070 109.913 108.800 0.071 0.000 3.058 294 G HA2 0.704 4.665 3.960 0.000 0.000 0.282 294 G HA3 0.704 4.665 3.960 0.000 0.000 0.282 294 G C 0.158 175.169 174.900 0.185 0.000 1.248 294 G CA -0.565 44.616 45.100 0.136 0.000 0.822 294 G HN 0.389 nan 8.290 nan 0.000 0.579 295 R N -1.779 118.765 120.500 0.073 0.000 2.549 295 R HA 0.417 4.757 4.340 0.000 0.000 0.361 295 R C -0.783 175.181 176.300 -0.559 0.000 0.969 295 R CA -0.032 55.990 56.100 -0.129 0.000 1.158 295 R CB 0.234 30.423 30.300 -0.184 0.000 1.456 295 R HN 0.239 nan 8.270 nan 0.000 0.540 296 F N 1.364 121.321 119.950 0.012 0.000 2.671 296 F HA 0.348 4.876 4.527 0.000 0.000 0.384 296 F C -0.941 174.983 175.800 0.206 0.000 1.351 296 F CA -1.315 56.483 58.000 -0.337 0.000 1.151 296 F CB 0.808 39.544 39.000 -0.441 0.000 1.147 296 F HN -0.111 nan 8.300 nan 0.000 0.513 297 D N 1.425 122.108 120.400 0.472 0.000 2.339 297 D HA 0.180 4.820 4.640 0.000 0.000 0.256 297 D C 0.271 176.897 176.300 0.544 0.000 1.214 297 D CA 0.264 54.567 54.000 0.505 0.000 0.877 297 D CB 1.513 42.624 40.800 0.519 0.000 1.111 297 D HN -0.114 nan 8.370 nan 0.000 0.478 298 V N 3.890 124.065 119.914 0.436 0.000 2.529 298 V HA -0.012 4.108 4.120 0.000 0.000 0.292 298 V C 0.947 177.132 176.094 0.151 0.000 1.028 298 V CA -0.255 62.173 62.300 0.213 0.000 1.074 298 V CB 0.146 32.040 31.823 0.118 0.000 0.958 298 V HN 0.368 nan 8.190 nan 0.000 0.481 299 L N 8.309 129.497 121.223 -0.059 0.000 2.453 299 L HA 0.340 4.680 4.340 0.000 0.000 0.261 299 L C -1.764 174.925 176.870 -0.301 0.000 1.179 299 L CA -1.408 53.202 54.840 -0.384 0.000 0.813 299 L CB 0.736 42.616 42.059 -0.298 0.000 1.110 299 L HN 0.471 nan 8.230 nan 0.000 0.466 300 P HA 0.126 nan 4.420 nan 0.000 0.278 300 P C -0.852 176.400 177.300 -0.080 0.000 1.238 300 P CA -0.433 62.518 63.100 -0.248 0.000 0.794 300 P CB 0.754 32.182 31.700 -0.453 0.000 0.955 301 L N 1.986 123.263 121.223 0.090 0.000 2.455 301 L HA 0.119 4.460 4.340 0.000 0.000 0.272 301 L C 0.328 177.284 176.870 0.143 0.000 1.174 301 L CA -0.199 54.740 54.840 0.166 0.000 0.869 301 L CB 0.323 42.555 42.059 0.288 0.000 1.130 301 L HN 0.138 nan 8.230 nan 0.000 0.474 302 V N 5.312 125.315 119.914 0.148 0.000 2.304 302 V HA 0.293 4.413 4.120 0.000 0.000 0.278 302 V C -0.189 175.886 176.094 -0.032 0.000 1.018 302 V CA -0.516 61.798 62.300 0.023 0.000 0.814 302 V CB 1.261 33.111 31.823 0.045 0.000 1.021 302 V HN 0.351 nan 8.190 nan 0.000 0.440 303 L N 4.526 125.734 121.223 -0.025 0.000 2.307 303 L HA 0.563 4.904 4.340 0.000 0.000 0.284 303 L C -0.006 176.759 176.870 -0.174 0.000 1.023 303 L CA 0.025 54.860 54.840 -0.008 0.000 0.810 303 L CB 1.579 43.732 42.059 0.158 0.000 1.231 303 L HN 0.774 nan 8.230 nan 0.000 0.423 304 Q N 2.917 122.610 119.800 -0.178 0.000 2.331 304 Q HA 0.833 5.173 4.340 0.000 0.000 0.267 304 Q C -1.516 174.328 176.000 -0.260 0.000 1.006 304 Q CA -0.685 54.990 55.803 -0.213 0.000 0.818 304 Q CB 1.956 30.640 28.738 -0.091 0.000 1.276 304 Q HN 0.756 nan 8.270 nan 0.000 0.450 305 A N 3.616 126.194 122.820 -0.402 0.000 2.371 305 A HA 0.479 4.799 4.320 0.000 0.000 0.311 305 A C -0.492 176.550 177.584 -0.903 0.000 1.068 305 A CA -0.181 51.285 52.037 -0.953 0.000 0.744 305 A CB 1.252 19.838 19.000 -0.689 0.000 1.239 305 A HN 1.017 nan 8.150 nan 0.000 0.435 306 D N 1.299 120.828 120.400 -1.451 0.000 2.686 306 D HA -0.091 4.550 4.640 0.000 0.000 0.235 306 D C 1.278 177.561 176.300 -0.028 0.000 1.160 306 D CA 2.666 56.458 54.000 -0.346 0.000 0.645 306 D CB -1.086 39.641 40.800 -0.123 0.000 1.039 306 D HN 2.199 nan 8.370 nan 0.000 0.423 307 G N -0.435 108.348 108.800 -0.029 0.000 2.228 307 G HA2 -0.414 3.546 3.960 0.000 0.000 0.270 307 G HA3 -0.414 3.546 3.960 0.000 0.000 0.270 307 G C 0.385 175.347 174.900 0.102 0.000 0.976 307 G CA 0.879 46.014 45.100 0.058 0.000 0.636 307 G HN 0.642 nan 8.290 nan 0.000 0.542 308 Q N 0.895 120.707 119.800 0.019 0.000 2.306 308 Q HA 0.454 4.794 4.340 0.000 0.000 0.241 308 Q C 0.013 176.031 176.000 0.030 0.000 0.948 308 Q CA -0.664 55.168 55.803 0.049 0.000 0.886 308 Q CB 0.594 29.328 28.738 -0.006 0.000 1.227 308 Q HN 0.322 nan 8.270 nan 0.000 0.457 309 D N 3.158 123.616 120.400 0.097 0.000 2.667 309 D HA -0.052 4.588 4.640 0.000 0.000 0.226 309 D C -2.209 173.963 176.300 -0.213 0.000 1.137 309 D CA -0.292 53.707 54.000 -0.002 0.000 0.855 309 D CB 0.113 41.039 40.800 0.210 0.000 1.194 309 D HN 0.226 nan 8.370 nan 0.000 0.492 310 P HA 0.142 nan 4.420 nan 0.000 0.281 310 P C -0.701 176.388 177.300 -0.351 0.000 1.252 310 P CA -0.223 62.537 63.100 -0.566 0.000 0.778 310 P CB 0.785 31.739 31.700 -1.244 0.000 0.895 311 E N 1.177 121.213 120.200 -0.274 0.000 2.242 311 E HA 0.381 4.731 4.350 0.000 0.000 0.275 311 E C -0.456 175.830 176.600 -0.524 0.000 1.002 311 E CA -1.114 55.058 56.400 -0.380 0.000 0.841 311 E CB 1.299 30.754 29.700 -0.408 0.000 1.109 311 E HN 0.166 nan 8.360 nan 0.000 0.394 312 V N 3.413 122.954 119.914 -0.622 0.000 2.407 312 V HA 0.319 4.439 4.120 0.000 0.000 0.278 312 V C -0.804 174.825 176.094 -0.776 0.000 1.037 312 V CA -0.335 61.670 62.300 -0.493 0.000 0.900 312 V CB 0.034 31.694 31.823 -0.272 0.000 0.983 312 V HN 0.482 nan 8.190 nan 0.000 0.459 313 F N 2.194 122.009 119.950 -0.223 0.000 2.540 313 F HA 0.501 5.028 4.527 0.000 0.000 0.317 313 F C 0.257 176.003 175.800 -0.090 0.000 1.104 313 F CA -0.746 57.032 58.000 -0.369 0.000 0.913 313 F CB 1.717 40.117 39.000 -1.001 0.000 1.170 313 F HN 0.409 nan 8.300 nan 0.000 0.450 314 E N 2.829 123.128 120.200 0.165 0.000 2.331 314 E HA 0.432 4.782 4.350 0.000 0.000 0.272 314 E C -0.741 176.058 176.600 0.331 0.000 1.036 314 E CA -0.447 56.109 56.400 0.260 0.000 0.864 314 E CB 0.894 30.742 29.700 0.246 0.000 1.035 314 E HN 0.456 nan 8.360 nan 0.000 0.408 315 I N 5.479 126.212 120.570 0.273 0.000 2.371 315 I HA 0.199 4.369 4.170 0.000 0.000 0.290 315 I C -1.985 174.243 176.117 0.184 0.000 1.028 315 I CA -2.263 59.178 61.300 0.236 0.000 1.345 315 I CB 0.762 38.843 38.000 0.135 0.000 1.407 315 I HN 0.337 nan 8.210 nan 0.000 0.501 316 P HA 0.104 nan 4.420 nan 0.000 0.259 316 P C -2.056 175.296 177.300 0.087 0.000 1.211 316 P CA -0.968 62.205 63.100 0.120 0.000 0.810 316 P CB 0.008 31.759 31.700 0.086 0.000 0.815 317 P HA -0.176 nan 4.420 nan 0.000 0.222 317 P C 0.830 178.166 177.300 0.061 0.000 1.142 317 P CA 1.224 64.375 63.100 0.084 0.000 0.788 317 P CB -0.003 31.751 31.700 0.091 0.000 0.767 318 D N -0.909 119.522 120.400 0.050 0.000 2.218 318 D HA -0.086 4.555 4.640 0.000 0.000 0.204 318 D C 1.785 178.101 176.300 0.027 0.000 0.976 318 D CA 0.984 55.005 54.000 0.035 0.000 0.853 318 D CB -0.015 40.802 40.800 0.028 0.000 0.939 318 D HN 0.284 nan 8.370 nan 0.000 0.481 319 L N 0.551 121.790 121.223 0.027 0.000 2.202 319 L HA 0.021 4.361 4.340 0.000 0.000 0.205 319 L C 0.833 177.717 176.870 0.024 0.000 1.083 319 L CA 0.177 55.028 54.840 0.017 0.000 0.790 319 L CB 0.118 42.178 42.059 0.002 0.000 0.942 319 L HN -0.222 nan 8.230 nan 0.000 0.452 320 V N 3.129 123.061 119.914 0.031 0.000 2.400 320 V HA -0.034 4.086 4.120 0.000 0.000 0.263 320 V C 0.143 176.266 176.094 0.048 0.000 1.026 320 V CA -0.100 62.220 62.300 0.033 0.000 1.077 320 V CB 0.055 31.901 31.823 0.038 0.000 1.054 320 V HN 0.085 nan 8.190 nan 0.000 0.477 321 L N 6.289 127.542 121.223 0.050 0.000 2.305 321 L HA 0.508 4.848 4.340 0.000 0.000 0.281 321 L C 0.114 177.015 176.870 0.052 0.000 1.085 321 L CA 0.486 55.349 54.840 0.039 0.000 0.813 321 L CB 0.787 42.861 42.059 0.025 0.000 1.157 321 L HN 0.671 nan 8.230 nan 0.000 0.436 322 E N 3.496 123.708 120.200 0.020 0.000 2.299 322 E HA 0.559 4.909 4.350 0.000 0.000 0.265 322 E C -1.406 175.142 176.600 -0.086 0.000 0.911 322 E CA -1.087 55.319 56.400 0.010 0.000 0.789 322 E CB 2.526 32.249 29.700 0.039 0.000 1.246 322 E HN 0.389 nan 8.360 nan 0.000 0.427 323 V N 1.930 121.765 119.914 -0.131 0.000 2.357 323 V HA 0.202 4.322 4.120 0.000 0.000 0.284 323 V C 0.161 176.200 176.094 -0.092 0.000 1.018 323 V CA -0.705 61.464 62.300 -0.218 0.000 0.841 323 V CB 1.368 32.853 31.823 -0.564 0.000 0.991 323 V HN 0.834 nan 8.190 nan 0.000 0.437 324 T N 3.857 118.368 114.554 -0.072 0.000 2.884 324 T HA 0.457 4.808 4.350 0.000 0.000 0.298 324 T C -0.119 174.612 174.700 0.051 0.000 0.998 324 T CA -0.713 61.369 62.100 -0.030 0.000 1.124 324 T CB 0.751 69.603 68.868 -0.026 0.000 0.931 324 T HN 0.298 nan 8.240 nan 0.000 0.531 325 M N 4.149 123.810 119.600 0.101 0.000 2.094 325 M HA 0.301 4.782 4.480 0.000 0.000 0.348 325 M C 0.254 176.756 176.300 0.337 0.000 1.267 325 M CA -0.421 55.031 55.300 0.254 0.000 1.125 325 M CB 0.175 32.973 32.600 0.329 0.000 1.527 325 M HN 0.889 nan 8.290 nan 0.000 0.447 326 E N 2.347 122.738 120.200 0.317 0.000 2.222 326 E HA 0.393 4.744 4.350 0.000 0.000 0.267 326 E C -0.972 175.735 176.600 0.178 0.000 0.884 326 E CA -0.755 55.838 56.400 0.322 0.000 0.764 326 E CB 2.103 31.916 29.700 0.189 0.000 1.169 326 E HN 0.580 nan 8.360 nan 0.000 0.413 327 H N 3.056 122.066 119.070 -0.100 0.000 2.547 327 H HA 0.158 4.715 4.556 0.000 0.000 0.362 327 H C -1.841 173.300 175.328 -0.312 0.000 1.181 327 H CA -1.708 54.097 56.048 -0.404 0.000 1.376 327 H CB 1.728 31.142 29.762 -0.579 0.000 1.488 327 H HN 0.427 nan 8.280 nan 0.000 0.583 328 P HA 0.246 nan 4.420 nan 0.000 0.266 328 P C 0.201 177.283 177.300 -0.363 0.000 1.381 328 P CA 0.325 63.016 63.100 -0.681 0.000 0.940 328 P CB 0.790 31.815 31.700 -1.125 0.000 1.435 329 K N -1.320 118.990 120.400 -0.149 0.000 2.638 329 K HA 0.179 4.499 4.320 0.000 0.000 0.207 329 K C -0.107 176.354 176.600 -0.231 0.000 1.429 329 K CA 0.075 56.219 56.287 -0.240 0.000 0.957 329 K CB 0.190 32.443 32.500 -0.412 0.000 1.733 329 K HN -0.086 nan 8.250 nan 0.000 0.474 330 Y N 3.397 123.616 120.300 -0.134 0.000 2.620 330 Y HA 0.030 4.580 4.550 0.000 0.000 0.352 330 Y C 0.873 176.446 175.900 -0.544 0.000 1.140 330 Y CA 0.008 57.739 58.100 -0.615 0.000 1.529 330 Y CB 0.175 37.800 38.460 -1.392 0.000 1.321 330 Y HN 0.217 nan 8.280 nan 0.000 0.501 331 E N 3.019 123.145 120.200 -0.124 0.000 2.268 331 E HA -0.190 4.161 4.350 0.000 0.000 0.195 331 E C 1.337 177.974 176.600 0.061 0.000 0.995 331 E CA 0.915 57.314 56.400 -0.003 0.000 0.836 331 E CB -0.097 29.638 29.700 0.058 0.000 0.763 331 E HN 0.884 nan 8.360 nan 0.000 0.491 332 W N -0.099 121.312 121.300 0.185 0.000 2.848 332 W HA -0.021 4.639 4.660 -0.000 0.000 0.241 332 W C 1.055 177.659 176.519 0.141 0.000 1.289 332 W CA -0.224 57.199 57.345 0.130 0.000 1.396 332 W CB -0.639 28.878 29.460 0.094 0.000 1.138 332 W HN -0.021 nan 8.180 nan 0.000 0.677 333 F N 2.605 122.370 119.950 -0.310 0.000 2.367 333 F HA -0.062 4.465 4.527 0.000 0.000 0.298 333 F C 2.472 178.262 175.800 -0.017 0.000 1.094 333 F CA 1.707 59.542 58.000 -0.275 0.000 1.409 333 F CB -0.164 38.565 39.000 -0.451 0.000 1.064 333 F HN -0.154 nan 8.300 nan 0.000 0.528 334 Q N -0.182 119.686 119.800 0.113 0.000 2.172 334 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 334 Q C 1.903 177.917 176.000 0.024 0.000 0.964 334 Q CA 1.392 57.232 55.803 0.062 0.000 0.855 334 Q CB -0.370 28.423 28.738 0.091 0.000 0.918 334 Q HN 0.481 nan 8.270 nan 0.000 0.444 335 E N 0.430 120.674 120.200 0.074 0.000 2.331 335 E HA -0.196 4.155 4.350 0.000 0.000 0.199 335 E C 1.249 177.863 176.600 0.023 0.000 1.008 335 E CA 0.477 56.923 56.400 0.076 0.000 0.843 335 E CB 0.122 29.908 29.700 0.143 0.000 0.761 335 E HN 0.211 nan 8.360 nan 0.000 0.507 336 L N -0.572 120.618 121.223 -0.055 0.000 2.201 336 L HA 0.008 4.349 4.340 0.000 0.000 0.212 336 L C 1.618 178.438 176.870 -0.083 0.000 1.105 336 L CA 1.527 56.286 54.840 -0.135 0.000 0.775 336 L CB -0.483 41.334 42.059 -0.402 0.000 0.913 336 L HN 0.272 nan 8.230 nan 0.000 0.440 337 G N -0.635 108.131 108.800 -0.058 0.000 2.198 337 G HA2 -0.233 3.728 3.960 0.000 0.000 0.257 337 G HA3 -0.233 3.728 3.960 0.000 0.000 0.257 337 G C -0.060 174.873 174.900 0.056 0.000 1.042 337 G CA -0.166 44.944 45.100 0.017 0.000 0.791 337 G HN 0.100 nan 8.290 nan 0.000 0.502 338 L N 0.220 121.413 121.223 -0.050 0.000 2.334 338 L HA 0.805 5.145 4.340 0.000 0.000 0.277 338 L C 0.622 177.389 176.870 -0.172 0.000 1.075 338 L CA -0.452 54.354 54.840 -0.057 0.000 0.804 338 L CB 1.404 43.303 42.059 -0.268 0.000 1.174 338 L HN 0.616 nan 8.230 nan 0.000 0.438 339 K N 1.787 121.889 120.400 -0.497 0.000 2.556 339 K HA 0.517 4.837 4.320 0.000 0.000 0.274 339 K C -1.715 174.794 176.600 -0.151 0.000 0.966 339 K CA -0.967 55.093 56.287 -0.379 0.000 0.865 339 K CB 2.036 34.233 32.500 -0.504 0.000 1.444 339 K HN 0.477 nan 8.250 nan 0.000 0.433 340 W N 2.993 124.234 121.300 -0.099 0.000 2.950 340 W HA 0.367 5.027 4.660 0.000 0.000 0.340 340 W C -0.926 175.622 176.519 0.048 0.000 1.139 340 W CA -0.977 56.367 57.345 -0.001 0.000 1.188 340 W CB 1.631 30.989 29.460 -0.169 0.000 1.426 340 W HN 0.727 nan 8.180 nan 0.000 0.531 341 Y N 1.148 121.333 120.300 -0.193 0.000 2.397 341 Y HA 0.430 4.981 4.550 0.001 0.000 0.335 341 Y C 0.774 176.832 175.900 0.263 0.000 1.213 341 Y CA 0.284 58.341 58.100 -0.073 0.000 1.391 341 Y CB 0.311 38.587 38.460 -0.307 0.000 1.293 341 Y HN 0.362 nan 8.280 nan 0.000 0.557 342 A N 2.985 126.056 122.820 0.418 0.000 2.123 342 A HA 0.107 4.428 4.320 0.000 0.000 0.214 342 A C 0.322 178.275 177.584 0.614 0.000 1.152 342 A CA 0.141 52.470 52.037 0.488 0.000 0.728 342 A CB -0.151 18.974 19.000 0.208 0.000 0.814 342 A HN 0.662 nan 8.150 nan 0.000 0.464 343 L N 1.539 123.063 121.223 0.502 0.000 2.276 343 L HA 0.485 4.825 4.340 0.000 0.000 0.286 343 L C -2.747 174.264 176.870 0.235 0.000 1.024 343 L CA -2.429 52.593 54.840 0.302 0.000 0.826 343 L CB 1.541 43.699 42.059 0.166 0.000 1.211 343 L HN -0.112 nan 8.230 nan 0.000 0.422 344 P HA 0.362 nan 4.420 nan 0.000 0.274 344 P C -1.354 175.864 177.300 -0.136 0.000 1.504 344 P CA -0.247 62.710 63.100 -0.238 0.000 1.011 344 P CB 1.024 32.226 31.700 -0.831 0.000 1.366 345 A N 3.863 126.612 122.820 -0.118 0.000 2.409 345 A HA 0.440 4.760 4.320 0.000 0.000 0.300 345 A C -0.176 177.220 177.584 -0.313 0.000 1.273 345 A CA -0.874 51.048 52.037 -0.191 0.000 0.774 345 A CB 0.814 19.741 19.000 -0.123 0.000 1.144 345 A HN 0.405 nan 8.150 nan 0.000 0.472 346 V N 2.836 122.429 119.914 -0.534 0.000 2.508 346 V HA 0.552 4.673 4.120 0.000 0.000 0.281 346 V C 0.760 176.487 176.094 -0.612 0.000 1.041 346 V CA 0.807 62.759 62.300 -0.579 0.000 1.016 346 V CB 0.993 32.419 31.823 -0.661 0.000 0.984 346 V HN 1.198 nan 8.190 nan 0.000 0.478 347 A N 4.669 127.298 122.820 -0.319 0.000 2.229 347 A HA 0.220 4.540 4.320 0.000 0.000 0.211 347 A C 1.340 178.875 177.584 -0.082 0.000 1.193 347 A CA 0.485 52.405 52.037 -0.195 0.000 0.879 347 A CB -0.241 18.684 19.000 -0.125 0.000 0.911 347 A HN 1.084 nan 8.150 nan 0.000 0.492 348 N N -1.631 117.030 118.700 -0.066 0.000 2.235 348 N HA 0.329 5.069 4.740 0.000 0.000 0.231 348 N C 0.012 175.568 175.510 0.078 0.000 1.177 348 N CA -0.243 52.817 53.050 0.017 0.000 0.874 348 N CB 0.231 38.716 38.487 -0.003 0.000 1.097 348 N HN 0.264 nan 8.380 nan 0.000 0.518 349 M N 1.276 120.937 119.600 0.102 0.000 2.471 349 M HA 0.377 4.857 4.480 0.000 0.000 0.309 349 M C -0.784 175.668 176.300 0.253 0.000 1.186 349 M CA -0.898 54.516 55.300 0.190 0.000 1.008 349 M CB 2.353 35.081 32.600 0.213 0.000 1.551 349 M HN 0.141 nan 8.290 nan 0.000 0.477 350 L N 2.410 123.804 121.223 0.286 0.000 2.322 350 L HA 0.539 4.879 4.340 0.000 0.000 0.281 350 L C -1.367 175.718 176.870 0.358 0.000 1.014 350 L CA -0.967 54.053 54.840 0.300 0.000 0.815 350 L CB 1.335 43.534 42.059 0.234 0.000 1.247 350 L HN 0.562 nan 8.230 nan 0.000 0.421 351 L N 4.866 126.298 121.223 0.349 0.000 2.292 351 L HA 0.456 4.796 4.340 0.000 0.000 0.284 351 L C -0.450 176.576 176.870 0.260 0.000 1.065 351 L CA 0.395 55.373 54.840 0.229 0.000 0.806 351 L CB 1.071 43.217 42.059 0.145 0.000 1.175 351 L HN 0.642 nan 8.230 nan 0.000 0.431 352 E N 4.922 125.226 120.200 0.172 0.000 2.176 352 E HA 0.526 4.877 4.350 0.000 0.000 0.267 352 E C -1.957 174.661 176.600 0.030 0.000 0.893 352 E CA -0.419 56.062 56.400 0.135 0.000 0.761 352 E CB 1.860 31.711 29.700 0.252 0.000 1.133 352 E HN 0.535 nan 8.360 nan 0.000 0.409 353 V N 2.766 122.658 119.914 -0.036 0.000 2.891 353 V HA 0.521 4.641 4.120 0.000 0.000 0.304 353 V C 0.394 176.324 176.094 -0.274 0.000 1.171 353 V CA 0.417 62.597 62.300 -0.201 0.000 0.943 353 V CB 1.590 33.227 31.823 -0.310 0.000 1.037 353 V HN 0.857 nan 8.190 nan 0.000 0.427 354 G N 3.990 112.629 108.800 -0.268 0.000 2.449 354 G HA2 0.056 4.016 3.960 0.000 0.000 0.304 354 G HA3 0.056 4.016 3.960 0.000 0.000 0.304 354 G C 1.635 176.612 174.900 0.129 0.000 0.962 354 G CA 1.629 46.737 45.100 0.013 0.000 0.943 354 G HN 2.762 nan 8.290 nan 0.000 0.514 355 G N -1.990 106.818 108.800 0.014 0.000 2.253 355 G HA2 -0.271 3.690 3.960 0.000 0.000 0.251 355 G HA3 -0.271 3.690 3.960 0.000 0.000 0.251 355 G C 0.627 175.534 174.900 0.012 0.000 0.998 355 G CA 0.538 45.684 45.100 0.076 0.000 0.621 355 G HN 1.188 nan 8.290 nan 0.000 0.524 356 L N 0.602 121.791 121.223 -0.057 0.000 2.466 356 L HA 0.610 4.951 4.340 0.000 0.000 0.257 356 L C 0.448 177.169 176.870 -0.248 0.000 1.189 356 L CA -0.149 54.559 54.840 -0.220 0.000 0.813 356 L CB 0.695 42.523 42.059 -0.385 0.000 1.118 356 L HN 0.275 nan 8.230 nan 0.000 0.471 357 E N 1.384 121.351 120.200 -0.387 0.000 2.263 357 E HA 0.367 4.718 4.350 0.000 0.000 0.268 357 E C -1.673 174.690 176.600 -0.395 0.000 0.884 357 E CA -0.418 55.833 56.400 -0.247 0.000 0.766 357 E CB 1.772 31.399 29.700 -0.123 0.000 1.196 357 E HN 0.215 nan 8.360 nan 0.000 0.416 358 F N 2.958 122.918 119.950 0.017 0.000 2.311 358 F HA 0.315 4.843 4.527 0.000 0.000 0.371 358 F C -1.832 174.034 175.800 0.110 0.000 1.083 358 F CA -2.682 55.350 58.000 0.054 0.000 1.113 358 F CB 1.104 40.129 39.000 0.041 0.000 1.349 358 F HN 0.275 nan 8.300 nan 0.000 0.470 359 P HA 0.164 nan 4.420 nan 0.000 0.259 359 P C -0.365 177.079 177.300 0.240 0.000 1.480 359 P CA 0.386 63.609 63.100 0.205 0.000 0.842 359 P CB 0.318 32.103 31.700 0.141 0.000 1.513 360 A N 0.134 123.139 122.820 0.308 0.000 2.538 360 A HA 0.488 4.808 4.320 0.000 0.000 0.293 360 A C -0.044 177.772 177.584 0.386 0.000 1.065 360 A CA -0.414 51.825 52.037 0.337 0.000 0.936 360 A CB -0.126 19.090 19.000 0.361 0.000 1.481 360 A HN 0.251 nan 8.150 nan 0.000 0.394 361 C N -0.026 119.449 119.300 0.292 0.000 3.364 361 C HA 0.432 4.893 4.460 0.000 0.000 0.298 361 C C -2.500 172.595 174.990 0.175 0.000 2.497 361 C CA -1.447 57.697 59.018 0.210 0.000 1.389 361 C CB -0.654 27.204 27.740 0.197 0.000 2.592 361 C HN 0.573 nan 8.230 nan 0.000 0.509 362 P HA 0.093 nan 4.420 nan 0.000 0.263 362 P C -0.445 176.830 177.300 -0.041 0.000 1.162 362 P CA 1.415 64.449 63.100 -0.109 0.000 0.758 362 P CB 0.204 31.789 31.700 -0.191 0.000 0.773 363 F N 0.090 119.962 119.950 -0.130 0.000 2.650 363 F HA 0.716 5.243 4.527 0.000 0.000 0.320 363 F C -0.611 175.156 175.800 -0.054 0.000 1.091 363 F CA -1.211 56.745 58.000 -0.074 0.000 0.962 363 F CB 1.735 40.592 39.000 -0.238 0.000 1.363 363 F HN 0.402 nan 8.300 nan 0.000 0.482 364 N N -0.281 118.567 118.700 0.247 0.000 2.367 364 N HA 0.560 5.300 4.740 0.000 0.000 0.278 364 N C -1.232 174.288 175.510 0.016 0.000 1.117 364 N CA -0.420 52.693 53.050 0.105 0.000 0.867 364 N CB 1.978 40.570 38.487 0.176 0.000 1.649 364 N HN 1.039 nan 8.380 nan 0.000 0.479 365 G N 0.167 108.907 108.800 -0.101 0.000 3.410 365 G HA2 0.672 4.632 3.960 0.000 0.000 0.189 365 G HA3 0.672 4.632 3.960 0.000 0.000 0.189 365 G C -1.169 173.669 174.900 -0.103 0.000 1.404 365 G CA -0.405 44.513 45.100 -0.303 0.000 0.898 365 G HN 0.717 nan 8.290 nan 0.000 0.650 366 W N -2.361 118.932 121.300 -0.013 0.000 3.060 366 W HA 0.794 5.455 4.660 0.001 0.000 0.346 366 W C -1.674 174.824 176.519 -0.035 0.000 1.194 366 W CA -2.061 55.288 57.345 0.007 0.000 1.105 366 W CB 0.341 29.847 29.460 0.076 0.000 1.487 366 W HN 0.330 nan 8.180 nan 0.000 0.592 367 Y N 2.075 122.610 120.300 0.391 0.000 2.301 367 Y HA 0.405 4.956 4.550 0.001 0.000 0.325 367 Y C 0.636 176.614 175.900 0.129 0.000 1.203 367 Y CA -0.890 57.306 58.100 0.160 0.000 1.255 367 Y CB 1.423 39.897 38.460 0.024 0.000 1.232 367 Y HN 0.306 nan 8.280 nan 0.000 0.501 368 M N 2.258 122.015 119.600 0.261 0.000 2.268 368 M HA 0.356 4.836 4.480 0.000 0.000 0.344 368 M C 1.051 177.362 176.300 0.020 0.000 1.106 368 M CA -0.194 55.185 55.300 0.132 0.000 1.010 368 M CB 1.409 34.066 32.600 0.096 0.000 1.649 368 M HN 0.881 nan 8.290 nan 0.000 0.443 369 G N 1.256 110.025 108.800 -0.052 0.000 2.505 369 G HA2 -0.297 3.663 3.960 0.000 0.000 0.220 369 G HA3 -0.297 3.663 3.960 0.000 0.000 0.220 369 G C 1.176 175.961 174.900 -0.192 0.000 1.145 369 G CA 1.794 46.792 45.100 -0.169 0.000 0.761 369 G HN 0.832 nan 8.290 nan 0.000 0.571 370 T N -0.200 114.265 114.554 -0.147 0.000 2.897 370 T HA -0.099 4.251 4.350 0.000 0.000 0.271 370 T C 2.044 176.588 174.700 -0.260 0.000 1.084 370 T CA 1.948 63.900 62.100 -0.247 0.000 1.123 370 T CB -0.348 68.294 68.868 -0.376 0.000 0.865 370 T HN 0.542 nan 8.240 nan 0.000 0.496 371 E N 0.063 120.134 120.200 -0.216 0.000 2.085 371 E HA -0.079 4.271 4.350 0.000 0.000 0.194 371 E C 2.049 178.390 176.600 -0.431 0.000 0.994 371 E CA 1.636 57.915 56.400 -0.202 0.000 0.801 371 E CB -0.154 29.576 29.700 0.049 0.000 0.743 371 E HN 0.631 nan 8.360 nan 0.000 0.453 372 I N -0.244 119.930 120.570 -0.659 0.000 2.385 372 I HA -0.035 4.136 4.170 0.000 0.000 0.244 372 I C 2.547 178.082 176.117 -0.970 0.000 1.089 372 I CA 0.785 61.390 61.300 -1.158 0.000 1.410 372 I CB -0.361 36.908 38.000 -1.218 0.000 1.117 372 I HN 0.080 nan 8.210 nan 0.000 0.429 373 G N 0.392 108.906 108.800 -0.477 0.000 2.432 373 G HA2 -0.113 3.847 3.960 0.000 0.000 0.219 373 G HA3 -0.113 3.847 3.960 0.000 0.000 0.219 373 G C 1.505 176.377 174.900 -0.047 0.000 1.135 373 G CA 1.132 46.175 45.100 -0.097 0.000 0.767 373 G HN 0.260 nan 8.290 nan 0.000 0.550 374 V N -0.592 119.219 119.914 -0.173 0.000 2.911 374 V HA 0.162 4.282 4.120 0.000 0.000 0.237 374 V C 2.591 178.607 176.094 -0.130 0.000 1.156 374 V CA 0.452 62.676 62.300 -0.127 0.000 1.180 374 V CB 0.023 31.737 31.823 -0.182 0.000 0.932 374 V HN 0.097 nan 8.190 nan 0.000 0.483 375 R N 0.649 121.027 120.500 -0.202 0.000 2.055 375 R HA 0.030 4.370 4.340 0.000 0.000 0.221 375 R C 1.913 178.129 176.300 -0.139 0.000 1.154 375 R CA 1.363 57.366 56.100 -0.161 0.000 0.975 375 R CB -0.808 29.383 30.300 -0.183 0.000 0.869 375 R HN 0.437 nan 8.270 nan 0.000 0.437 376 D N 0.544 120.750 120.400 -0.324 0.000 2.144 376 D HA -0.123 4.517 4.640 0.000 0.000 0.199 376 D C 1.756 177.988 176.300 -0.114 0.000 0.984 376 D CA 1.154 54.926 54.000 -0.380 0.000 0.834 376 D CB -0.136 39.938 40.800 -1.210 0.000 0.955 376 D HN 0.095 nan 8.370 nan 0.000 0.465 377 F N -0.041 119.808 119.950 -0.168 0.000 2.387 377 F HA 0.071 4.598 4.527 0.001 0.000 0.294 377 F C 2.227 178.058 175.800 0.052 0.000 1.093 377 F CA -0.220 57.761 58.000 -0.032 0.000 1.420 377 F CB -0.425 38.541 39.000 -0.057 0.000 1.086 377 F HN 0.011 nan 8.300 nan 0.000 0.531 378 C N -1.108 118.302 119.300 0.183 0.000 3.070 378 C HA 0.221 4.681 4.460 0.000 0.000 0.280 378 C C 0.248 175.286 174.990 0.080 0.000 1.264 378 C CA -0.620 58.470 59.018 0.120 0.000 1.690 378 C CB -0.601 27.177 27.740 0.064 0.000 2.049 378 C HN 0.056 nan 8.230 nan 0.000 0.636 379 D N 1.684 122.128 120.400 0.074 0.000 2.417 379 D HA 0.073 4.713 4.640 0.000 0.000 0.250 379 D C 1.266 177.620 176.300 0.090 0.000 1.166 379 D CA 0.552 54.590 54.000 0.063 0.000 0.881 379 D CB 1.046 41.878 40.800 0.053 0.000 1.164 379 D HN 0.135 nan 8.370 nan 0.000 0.467 380 T N 1.747 116.345 114.554 0.074 0.000 2.760 380 T HA -0.247 4.103 4.350 0.000 0.000 0.269 380 T C 1.700 176.448 174.700 0.079 0.000 1.047 380 T CA 1.403 63.548 62.100 0.076 0.000 1.139 380 T CB -0.007 68.900 68.868 0.065 0.000 0.855 380 T HN 0.541 nan 8.240 nan 0.000 0.471 381 Q N 0.089 119.942 119.800 0.089 0.000 2.472 381 Q HA 0.042 4.382 4.340 0.000 0.000 0.208 381 Q C 1.262 177.316 176.000 0.091 0.000 0.958 381 Q CA 0.591 56.453 55.803 0.097 0.000 0.932 381 Q CB 0.217 29.032 28.738 0.129 0.000 1.007 381 Q HN 0.341 nan 8.270 nan 0.000 0.508 382 R N -0.739 119.821 120.500 0.101 0.000 3.322 382 R HA 0.246 4.586 4.340 0.000 0.000 0.189 382 R C 1.280 177.634 176.300 0.090 0.000 1.510 382 R CA -0.506 55.666 56.100 0.120 0.000 0.827 382 R CB -0.797 29.639 30.300 0.228 0.000 1.856 382 R HN 0.063 nan 8.270 nan 0.000 0.497 383 Y N 1.247 121.651 120.300 0.173 0.000 2.516 383 Y HA 0.048 4.599 4.550 0.000 0.000 0.291 383 Y C 0.545 176.525 175.900 0.133 0.000 1.131 383 Y CA 0.832 59.041 58.100 0.182 0.000 1.281 383 Y CB -0.193 38.447 38.460 0.300 0.000 1.013 383 Y HN 0.560 nan 8.280 nan 0.000 0.554 384 N N 0.999 119.855 118.700 0.260 0.000 2.667 384 N HA -0.219 4.521 4.740 0.000 0.000 0.263 384 N C 0.674 176.280 175.510 0.161 0.000 1.038 384 N CA 0.288 53.442 53.050 0.174 0.000 0.749 384 N CB -0.896 37.665 38.487 0.123 0.000 0.892 384 N HN 0.585 nan 8.380 nan 0.000 0.546 385 I N -2.786 117.884 120.570 0.166 0.000 3.603 385 I HA -0.000 4.170 4.170 0.000 0.000 0.297 385 I C 1.926 178.122 176.117 0.131 0.000 1.269 385 I CA -0.154 61.212 61.300 0.109 0.000 1.361 385 I CB -0.104 37.910 38.000 0.024 0.000 1.063 385 I HN 0.318 nan 8.210 nan 0.000 0.448 386 L N 1.376 122.693 121.223 0.157 0.000 2.051 386 L HA -0.243 4.097 4.340 0.000 0.000 0.214 386 L C 2.728 179.800 176.870 0.337 0.000 1.076 386 L CA 1.986 56.942 54.840 0.194 0.000 0.758 386 L CB -0.347 41.779 42.059 0.112 0.000 0.890 386 L HN 0.466 nan 8.230 nan 0.000 0.433 387 E N -0.516 119.865 120.200 0.301 0.000 2.047 387 E HA -0.229 4.121 4.350 0.000 0.000 0.191 387 E C 1.990 178.633 176.600 0.071 0.000 0.987 387 E CA 1.009 57.548 56.400 0.231 0.000 0.799 387 E CB 0.122 29.908 29.700 0.144 0.000 0.752 387 E HN 0.448 nan 8.360 nan 0.000 0.449 388 E N 0.255 120.490 120.200 0.058 0.000 2.085 388 E HA -0.160 4.190 4.350 0.000 0.000 0.194 388 E C 2.226 178.818 176.600 -0.013 0.000 0.994 388 E CA 0.752 57.150 56.400 -0.004 0.000 0.801 388 E CB -0.183 29.518 29.700 0.002 0.000 0.743 388 E HN 0.155 nan 8.360 nan 0.000 0.453 389 V N 0.649 120.616 119.914 0.088 0.000 2.379 389 V HA -0.156 3.964 4.120 0.000 0.000 0.245 389 V C 2.384 178.533 176.094 0.093 0.000 1.044 389 V CA 1.877 64.279 62.300 0.170 0.000 1.036 389 V CB -0.889 31.097 31.823 0.272 0.000 0.664 389 V HN 0.329 nan 8.190 nan 0.000 0.453 390 G N -0.406 108.485 108.800 0.152 0.000 2.446 390 G HA2 -0.271 3.690 3.960 0.000 0.000 0.217 390 G HA3 -0.271 3.690 3.960 0.000 0.000 0.217 390 G C 1.735 176.536 174.900 -0.165 0.000 1.168 390 G CA 0.790 45.950 45.100 0.101 0.000 0.771 390 G HN 0.387 nan 8.290 nan 0.000 0.551 391 R N -0.088 120.271 120.500 -0.236 0.000 2.103 391 R HA -0.049 4.292 4.340 0.000 0.000 0.242 391 R C 2.518 178.607 176.300 -0.351 0.000 1.142 391 R CA 1.097 57.023 56.100 -0.290 0.000 0.960 391 R CB -0.168 29.990 30.300 -0.236 0.000 0.858 391 R HN 0.188 nan 8.270 nan 0.000 0.439 392 R N -0.027 120.176 120.500 -0.495 0.000 2.339 392 R HA -0.003 4.337 4.340 0.000 0.000 0.199 392 R C 1.313 177.139 176.300 -0.791 0.000 1.018 392 R CA 0.681 56.226 56.100 -0.925 0.000 1.036 392 R CB -0.081 29.112 30.300 -1.846 0.000 0.899 392 R HN 0.329 nan 8.270 nan 0.000 0.473 393 M N -0.575 118.795 119.600 -0.383 0.000 2.333 393 M HA 0.182 4.662 4.480 0.000 0.000 0.257 393 M C 0.315 176.547 176.300 -0.115 0.000 1.078 393 M CA 0.085 55.281 55.300 -0.173 0.000 1.005 393 M CB 0.920 33.474 32.600 -0.076 0.000 1.444 393 M HN 0.236 nan 8.290 nan 0.000 0.496 394 G N 2.279 110.973 108.800 -0.176 0.000 2.370 394 G HA2 -0.218 3.743 3.960 0.000 0.000 0.293 394 G HA3 -0.218 3.743 3.960 0.000 0.000 0.293 394 G C -0.808 174.020 174.900 -0.120 0.000 0.992 394 G CA -0.083 44.933 45.100 -0.140 0.000 1.247 394 G HN 0.270 nan 8.290 nan 0.000 0.505 395 L N -0.478 120.638 121.223 -0.178 0.000 2.330 395 L HA 0.493 4.834 4.340 0.000 0.000 0.271 395 L C 0.653 177.333 176.870 -0.316 0.000 1.013 395 L CA -1.013 53.732 54.840 -0.159 0.000 0.816 395 L CB 1.553 43.571 42.059 -0.068 0.000 1.287 395 L HN 0.354 nan 8.230 nan 0.000 0.435 396 E N 1.067 121.122 120.200 -0.240 0.000 1.881 396 E HA 0.045 4.395 4.350 0.000 0.000 0.264 396 E C 0.246 176.459 176.600 -0.645 0.000 1.243 396 E CA 0.068 56.279 56.400 -0.316 0.000 0.965 396 E CB 0.240 29.871 29.700 -0.115 0.000 1.055 396 E HN 0.534 nan 8.360 nan 0.000 0.412 397 T N 1.093 115.029 114.554 -1.029 0.000 3.067 397 T HA -0.021 4.329 4.350 0.000 0.000 0.257 397 T C 0.596 174.714 174.700 -0.970 0.000 1.105 397 T CA 0.704 61.874 62.100 -1.549 0.000 1.104 397 T CB 0.035 68.104 68.868 -1.332 0.000 0.925 397 T HN 0.507 nan 8.240 nan 0.000 0.498 398 H N -0.500 118.391 119.070 -0.299 0.000 2.652 398 H HA 0.318 4.874 4.556 0.000 0.000 0.274 398 H C 0.130 175.448 175.328 -0.016 0.000 1.021 398 H CA -0.125 55.858 56.048 -0.109 0.000 1.187 398 H CB 0.519 30.224 29.762 -0.094 0.000 1.505 398 H HN 0.003 nan 8.280 nan 0.000 0.530 399 T N 1.946 116.518 114.554 0.030 0.000 2.874 399 T HA 0.062 4.413 4.350 0.000 0.000 0.321 399 T C 0.888 175.717 174.700 0.215 0.000 1.075 399 T CA -0.403 61.759 62.100 0.103 0.000 0.966 399 T CB 1.068 69.974 68.868 0.063 0.000 1.001 399 T HN 0.113 nan 8.240 nan 0.000 0.476 400 L N 3.733 125.086 121.223 0.216 0.000 2.131 400 L HA 0.053 4.393 4.340 0.000 0.000 0.210 400 L C 2.363 179.330 176.870 0.162 0.000 1.092 400 L CA 1.696 56.679 54.840 0.238 0.000 0.759 400 L CB -0.762 41.386 42.059 0.148 0.000 0.903 400 L HN 0.714 nan 8.230 nan 0.000 0.435 401 A N -2.020 120.873 122.820 0.122 0.000 2.168 401 A HA -0.129 4.192 4.320 0.000 0.000 0.215 401 A C 2.440 180.082 177.584 0.096 0.000 1.152 401 A CA 1.173 53.260 52.037 0.083 0.000 0.716 401 A CB -0.760 18.277 19.000 0.063 0.000 0.794 401 A HN 0.499 nan 8.150 nan 0.000 0.465 402 S N -0.430 115.362 115.700 0.154 0.000 2.440 402 S HA -0.123 4.347 4.470 0.000 0.000 0.240 402 S C 1.111 175.803 174.600 0.153 0.000 1.014 402 S CA 1.310 59.608 58.200 0.164 0.000 0.980 402 S CB -0.598 62.737 63.200 0.225 0.000 0.775 402 S HN 0.848 nan 8.310 nan 0.000 0.499 403 L N -0.290 121.001 121.223 0.114 0.000 4.291 403 L HA -0.171 4.169 4.340 0.000 0.000 0.413 403 L C 1.326 178.196 176.870 0.000 0.000 1.162 403 L CA 0.902 55.749 54.840 0.012 0.000 0.961 403 L CB -2.381 39.690 42.059 0.020 0.000 2.095 403 L HN 0.782 nan 8.230 nan 0.000 0.838 404 W N 0.058 121.352 121.300 -0.010 0.000 2.465 404 W HA -0.109 4.552 4.660 0.001 0.000 0.268 404 W C 1.644 178.159 176.519 -0.007 0.000 1.242 404 W CA 0.987 58.322 57.345 -0.017 0.000 1.248 404 W CB -0.661 28.774 29.460 -0.042 0.000 1.118 404 W HN 0.245 nan 8.180 nan 0.000 0.587 405 K N 0.858 120.685 120.400 -0.955 0.000 2.057 405 K HA -0.153 4.167 4.320 0.000 0.000 0.206 405 K C 1.541 177.950 176.600 -0.318 0.000 1.050 405 K CA 1.975 57.761 56.287 -0.835 0.000 0.935 405 K CB -0.344 31.604 32.500 -0.920 0.000 0.715 405 K HN -0.134 nan 8.250 nan 0.000 0.439 406 D N 0.297 120.564 120.400 -0.223 0.000 2.228 406 D HA -0.143 4.498 4.640 0.000 0.000 0.203 406 D C 1.873 178.157 176.300 -0.027 0.000 0.988 406 D CA 1.021 54.963 54.000 -0.096 0.000 0.864 406 D CB 0.080 40.842 40.800 -0.063 0.000 0.928 406 D HN 0.119 nan 8.370 nan 0.000 0.469 407 R N 0.015 120.518 120.500 0.005 0.000 2.080 407 R HA 0.179 4.519 4.340 0.000 0.000 0.222 407 R C 2.134 178.478 176.300 0.074 0.000 1.107 407 R CA 0.890 57.028 56.100 0.062 0.000 0.980 407 R CB -0.289 30.073 30.300 0.103 0.000 0.879 407 R HN 0.127 nan 8.270 nan 0.000 0.439 408 A N 0.927 123.797 122.820 0.083 0.000 1.855 408 A HA -0.091 4.229 4.320 0.000 0.000 0.215 408 A C 2.368 180.002 177.584 0.083 0.000 1.191 408 A CA 1.258 53.360 52.037 0.109 0.000 0.613 408 A CB -0.788 18.323 19.000 0.183 0.000 0.829 408 A HN 0.065 nan 8.150 nan 0.000 0.442 409 V N 0.106 120.038 119.914 0.030 0.000 2.278 409 V HA -0.319 3.801 4.120 0.000 0.000 0.251 409 V C 2.776 178.900 176.094 0.049 0.000 1.062 409 V CA 2.700 65.014 62.300 0.024 0.000 1.038 409 V CB -1.307 30.493 31.823 -0.038 0.000 0.646 409 V HN 0.642 nan 8.190 nan 0.000 0.447 410 T N -0.797 113.788 114.554 0.051 0.000 2.746 410 T HA -0.163 4.188 4.350 0.000 0.000 0.267 410 T C 1.856 176.616 174.700 0.099 0.000 1.039 410 T CA 1.447 63.593 62.100 0.076 0.000 1.142 410 T CB -0.244 68.670 68.868 0.078 0.000 0.866 410 T HN 0.491 nan 8.240 nan 0.000 0.444 411 E N 0.977 121.244 120.200 0.110 0.000 2.106 411 E HA 0.030 4.381 4.350 0.000 0.000 0.192 411 E C 2.261 178.912 176.600 0.084 0.000 0.984 411 E CA 0.583 57.072 56.400 0.148 0.000 0.806 411 E CB -0.419 29.329 29.700 0.079 0.000 0.750 411 E HN 0.525 nan 8.360 nan 0.000 0.458 412 I N 1.621 122.249 120.570 0.097 0.000 2.264 412 I HA -0.277 3.894 4.170 0.000 0.000 0.248 412 I C 2.036 178.229 176.117 0.127 0.000 1.111 412 I CA 0.863 62.256 61.300 0.155 0.000 1.382 412 I CB -0.354 37.797 38.000 0.251 0.000 1.060 412 I HN 0.055 nan 8.210 nan 0.000 0.418 413 N N 0.749 119.505 118.700 0.093 0.000 2.106 413 N HA -0.117 4.624 4.740 0.000 0.000 0.188 413 N C 1.993 177.533 175.510 0.050 0.000 1.029 413 N CA 1.167 54.259 53.050 0.069 0.000 0.848 413 N CB -0.459 38.075 38.487 0.079 0.000 1.007 413 N HN 0.115 nan 8.380 nan 0.000 0.423 414 V N 1.838 121.775 119.914 0.037 0.000 2.317 414 V HA -0.285 3.836 4.120 0.000 0.000 0.251 414 V C 2.408 178.447 176.094 -0.091 0.000 1.065 414 V CA 1.998 64.280 62.300 -0.030 0.000 1.049 414 V CB -1.036 30.761 31.823 -0.043 0.000 0.651 414 V HN 0.319 nan 8.190 nan 0.000 0.450 415 A N -0.357 122.392 122.820 -0.118 0.000 1.855 415 A HA -0.142 4.179 4.320 0.000 0.000 0.215 415 A C 2.404 180.032 177.584 0.073 0.000 1.191 415 A CA 2.045 53.976 52.037 -0.177 0.000 0.613 415 A CB -0.757 17.913 19.000 -0.551 0.000 0.829 415 A HN 0.310 nan 8.150 nan 0.000 0.442 416 V N -0.126 119.872 119.914 0.140 0.000 2.233 416 V HA -0.283 3.837 4.120 0.000 0.000 0.247 416 V C 2.561 178.763 176.094 0.180 0.000 1.050 416 V CA 2.171 64.598 62.300 0.211 0.000 1.010 416 V CB -0.929 30.951 31.823 0.094 0.000 0.637 416 V HN 0.497 nan 8.190 nan 0.000 0.444 417 L N -0.294 120.967 121.223 0.064 0.000 1.990 417 L HA -0.254 4.086 4.340 0.000 0.000 0.213 417 L C 2.534 179.475 176.870 0.118 0.000 1.072 417 L CA 2.463 57.331 54.840 0.047 0.000 0.755 417 L CB -1.215 40.861 42.059 0.028 0.000 0.889 417 L HN 0.505 nan 8.230 nan 0.000 0.432 418 H N -1.194 117.878 119.070 0.004 0.000 2.353 418 H HA -0.104 4.452 4.556 0.001 0.000 0.300 418 H C 2.151 177.501 175.328 0.037 0.000 1.090 418 H CA 1.617 57.650 56.048 -0.024 0.000 1.327 418 H CB 0.405 30.088 29.762 -0.131 0.000 1.383 418 H HN 0.309 nan 8.280 nan 0.000 0.508 419 S N 0.049 115.790 115.700 0.067 0.000 2.399 419 S HA -0.104 4.366 4.470 0.000 0.000 0.231 419 S C 1.959 176.569 174.600 0.017 0.000 1.022 419 S CA 1.064 59.282 58.200 0.030 0.000 0.983 419 S CB -0.416 62.878 63.200 0.156 0.000 0.803 419 S HN 0.344 nan 8.310 nan 0.000 0.480 420 F N 2.343 122.261 119.950 -0.054 0.000 2.113 420 F HA -0.142 4.385 4.527 0.000 0.000 0.297 420 F C 2.846 178.596 175.800 -0.085 0.000 1.103 420 F CA 1.055 59.031 58.000 -0.041 0.000 1.248 420 F CB -0.413 38.583 39.000 -0.006 0.000 0.999 420 F HN 0.213 nan 8.300 nan 0.000 0.475 421 Q N 0.649 120.492 119.800 0.070 0.000 2.084 421 Q HA -0.239 4.101 4.340 0.000 0.000 0.202 421 Q C 1.993 177.931 176.000 -0.103 0.000 0.978 421 Q CA 1.361 57.148 55.803 -0.027 0.000 0.844 421 Q CB -0.710 28.005 28.738 -0.038 0.000 0.898 421 Q HN 0.425 nan 8.270 nan 0.000 0.426 422 K N 1.181 121.457 120.400 -0.207 0.000 2.001 422 K HA -0.222 4.098 4.320 0.000 0.000 0.223 422 K C 1.916 178.438 176.600 -0.131 0.000 1.055 422 K CA 2.101 58.257 56.287 -0.218 0.000 0.965 422 K CB -0.042 32.284 32.500 -0.290 0.000 0.730 422 K HN 0.285 nan 8.250 nan 0.000 0.449 423 Q N 0.433 120.156 119.800 -0.128 0.000 2.373 423 Q HA 0.041 4.381 4.340 0.000 0.000 0.206 423 Q C -0.544 175.397 176.000 -0.097 0.000 0.942 423 Q CA -0.117 55.617 55.803 -0.115 0.000 0.953 423 Q CB 0.183 28.832 28.738 -0.148 0.000 1.022 423 Q HN 0.330 nan 8.270 nan 0.000 0.502 424 N N -0.081 118.573 118.700 -0.076 0.000 2.727 424 N HA -0.145 4.595 4.740 0.000 0.000 0.249 424 N C -1.225 174.258 175.510 -0.045 0.000 1.048 424 N CA 0.588 53.605 53.050 -0.056 0.000 0.714 424 N CB -1.459 36.994 38.487 -0.056 0.000 0.959 424 N HN 0.044 nan 8.380 nan 0.000 0.544 425 V N 0.900 120.799 119.914 -0.025 0.000 2.370 425 V HA 0.200 4.320 4.120 0.000 0.000 0.279 425 V C 1.013 177.214 176.094 0.179 0.000 1.029 425 V CA -0.571 61.752 62.300 0.039 0.000 0.870 425 V CB 1.811 33.560 31.823 -0.123 0.000 0.984 425 V HN 0.177 nan 8.190 nan 0.000 0.451 426 T N 6.730 121.329 114.554 0.075 0.000 2.866 426 T HA 0.312 4.662 4.350 0.000 0.000 0.293 426 T C -0.238 174.489 174.700 0.045 0.000 1.005 426 T CA 1.145 63.199 62.100 -0.077 0.000 1.162 426 T CB -0.195 68.487 68.868 -0.310 0.000 0.968 426 T HN 0.576 nan 8.240 nan 0.000 0.530 427 I N 2.767 123.284 120.570 -0.088 0.000 2.947 427 I HA 0.583 4.753 4.170 0.000 0.000 0.301 427 I C -1.585 174.499 176.117 -0.054 0.000 1.453 427 I CA -1.033 60.237 61.300 -0.050 0.000 0.984 427 I CB 2.018 39.904 38.000 -0.191 0.000 1.333 427 I HN 0.655 nan 8.210 nan 0.000 0.475 428 M N 4.893 124.528 119.600 0.058 0.000 2.386 428 M HA 0.450 4.930 4.480 0.000 0.000 0.293 428 M C -1.887 174.460 176.300 0.078 0.000 1.120 428 M CA -0.465 54.889 55.300 0.090 0.000 0.909 428 M CB 1.834 34.566 32.600 0.219 0.000 1.661 428 M HN 0.643 nan 8.290 nan 0.000 0.452 429 D N 2.328 122.760 120.400 0.053 0.000 2.313 429 D HA 0.141 4.781 4.640 0.000 0.000 0.247 429 D C 1.274 177.603 176.300 0.047 0.000 1.094 429 D CA -0.116 53.920 54.000 0.061 0.000 0.925 429 D CB 0.585 41.398 40.800 0.021 0.000 1.188 429 D HN 0.693 nan 8.370 nan 0.000 0.430 430 H N 0.959 120.021 119.070 -0.013 0.000 2.422 430 H HA -0.187 4.369 4.556 0.000 0.000 0.298 430 H C 0.988 176.251 175.328 -0.109 0.000 1.098 430 H CA 1.514 57.507 56.048 -0.091 0.000 1.315 430 H CB -0.667 28.983 29.762 -0.187 0.000 1.382 430 H HN 0.573 nan 8.280 nan 0.000 0.523 431 H N 0.833 119.635 119.070 -0.448 0.000 2.299 431 H HA -0.054 4.502 4.556 0.000 0.000 0.302 431 H C 2.030 177.310 175.328 -0.080 0.000 1.078 431 H CA 1.982 57.888 56.048 -0.238 0.000 1.323 431 H CB -0.192 29.408 29.762 -0.270 0.000 1.381 431 H HN 0.399 nan 8.280 nan 0.000 0.498 432 T N 1.186 115.778 114.554 0.064 0.000 2.746 432 T HA -0.107 4.243 4.350 0.000 0.000 0.267 432 T C 2.349 177.103 174.700 0.089 0.000 1.039 432 T CA 1.118 63.258 62.100 0.067 0.000 1.142 432 T CB -0.417 68.484 68.868 0.055 0.000 0.866 432 T HN 0.432 nan 8.240 nan 0.000 0.444 433 A N 1.436 124.309 122.820 0.088 0.000 1.883 433 A HA -0.123 4.197 4.320 0.000 0.000 0.217 433 A C 2.633 180.292 177.584 0.125 0.000 1.186 433 A CA 2.070 54.176 52.037 0.114 0.000 0.624 433 A CB -0.946 18.113 19.000 0.098 0.000 0.822 433 A HN 0.445 nan 8.150 nan 0.000 0.444 434 S N -0.312 115.438 115.700 0.082 0.000 2.368 434 S HA -0.152 4.318 4.470 0.000 0.000 0.225 434 S C 1.842 176.537 174.600 0.157 0.000 1.030 434 S CA 1.432 59.693 58.200 0.101 0.000 0.999 434 S CB -0.337 62.888 63.200 0.041 0.000 0.844 434 S HN 0.691 nan 8.310 nan 0.000 0.459 435 E N 0.778 121.053 120.200 0.124 0.000 2.110 435 E HA -0.104 4.247 4.350 0.000 0.000 0.193 435 E C 2.214 178.893 176.600 0.131 0.000 0.988 435 E CA 0.970 57.441 56.400 0.118 0.000 0.804 435 E CB -0.198 29.555 29.700 0.089 0.000 0.745 435 E HN 0.356 nan 8.360 nan 0.000 0.458 436 S N 0.476 116.262 115.700 0.144 0.000 2.338 436 S HA -0.168 4.302 4.470 0.000 0.000 0.218 436 S C 1.736 176.440 174.600 0.174 0.000 1.032 436 S CA 0.902 59.189 58.200 0.145 0.000 0.999 436 S CB -0.361 62.929 63.200 0.150 0.000 0.905 436 S HN 0.318 nan 8.310 nan 0.000 0.439 437 F N 2.069 122.072 119.950 0.087 0.000 2.115 437 F HA -0.180 4.348 4.527 0.000 0.000 0.300 437 F C 2.199 178.083 175.800 0.140 0.000 1.092 437 F CA 1.817 59.885 58.000 0.113 0.000 1.245 437 F CB -0.297 38.745 39.000 0.070 0.000 0.995 437 F HN 0.209 nan 8.300 nan 0.000 0.481 438 M N 0.059 119.784 119.600 0.208 0.000 2.080 438 M HA -0.243 4.237 4.480 0.000 0.000 0.260 438 M C 2.269 178.566 176.300 -0.004 0.000 1.068 438 M CA 1.815 57.178 55.300 0.106 0.000 1.109 438 M CB -1.182 31.503 32.600 0.141 0.000 1.342 438 M HN 0.085 nan 8.290 nan 0.000 0.405 439 K N -0.350 120.070 120.400 0.033 0.000 2.044 439 K HA -0.233 4.087 4.320 0.000 0.000 0.210 439 K C 1.954 178.555 176.600 0.001 0.000 1.049 439 K CA 1.952 58.255 56.287 0.027 0.000 0.927 439 K CB -0.675 31.860 32.500 0.059 0.000 0.713 439 K HN 0.351 nan 8.250 nan 0.000 0.443 440 H N 0.054 119.035 119.070 -0.149 0.000 2.289 440 H HA -0.162 4.395 4.556 0.000 0.000 0.296 440 H C 2.034 177.202 175.328 -0.266 0.000 1.091 440 H CA 2.686 58.602 56.048 -0.220 0.000 1.274 440 H CB -0.370 29.171 29.762 -0.369 0.000 1.364 440 H HN 0.311 nan 8.280 nan 0.000 0.490 441 M N -0.013 119.279 119.600 -0.514 0.000 2.080 441 M HA -0.263 4.218 4.480 0.000 0.000 0.260 441 M C 2.269 178.493 176.300 -0.126 0.000 1.068 441 M CA 2.182 57.240 55.300 -0.404 0.000 1.109 441 M CB -0.088 32.340 32.600 -0.286 0.000 1.342 441 M HN 0.434 nan 8.290 nan 0.000 0.405 442 Q N 0.343 120.084 119.800 -0.099 0.000 2.045 442 Q HA -0.220 4.121 4.340 0.000 0.000 0.206 442 Q C 1.844 177.833 176.000 -0.018 0.000 0.991 442 Q CA 2.106 57.887 55.803 -0.038 0.000 0.851 442 Q CB -0.493 28.229 28.738 -0.028 0.000 0.911 442 Q HN 0.571 nan 8.270 nan 0.000 0.418 443 N N 0.413 119.078 118.700 -0.059 0.000 2.036 443 N HA -0.187 4.554 4.740 0.000 0.000 0.195 443 N C 1.622 177.082 175.510 -0.084 0.000 1.037 443 N CA 1.256 54.280 53.050 -0.043 0.000 0.855 443 N CB -0.325 38.157 38.487 -0.008 0.000 1.033 443 N HN 0.235 nan 8.380 nan 0.000 0.423 444 E N 0.142 120.204 120.200 -0.230 0.000 2.086 444 E HA -0.199 4.151 4.350 0.000 0.000 0.200 444 E C 2.052 178.549 176.600 -0.172 0.000 1.012 444 E CA 1.160 57.387 56.400 -0.288 0.000 0.812 444 E CB -0.538 28.863 29.700 -0.498 0.000 0.743 444 E HN 0.532 nan 8.360 nan 0.000 0.453 445 Y N 0.391 120.599 120.300 -0.153 0.000 2.242 445 Y HA -0.099 4.451 4.550 0.000 0.000 0.291 445 Y C 2.552 178.417 175.900 -0.059 0.000 1.137 445 Y CA 1.028 59.077 58.100 -0.085 0.000 1.181 445 Y CB -0.105 38.319 38.460 -0.061 0.000 0.989 445 Y HN -0.064 nan 8.280 nan 0.000 0.527 446 R N 0.433 120.983 120.500 0.083 0.000 2.115 446 R HA -0.093 4.248 4.340 0.000 0.000 0.230 446 R C 2.102 178.406 176.300 0.007 0.000 1.111 446 R CA 1.181 57.305 56.100 0.041 0.000 0.976 446 R CB -0.459 29.859 30.300 0.031 0.000 0.870 446 R HN 0.367 nan 8.270 nan 0.000 0.445 447 A N 1.350 124.157 122.820 -0.021 0.000 1.840 447 A HA -0.130 4.190 4.320 0.000 0.000 0.214 447 A C 1.550 179.101 177.584 -0.055 0.000 1.198 447 A CA 1.553 53.571 52.037 -0.032 0.000 0.608 447 A CB -0.063 18.909 19.000 -0.045 0.000 0.839 447 A HN 0.441 nan 8.150 nan 0.000 0.443 448 R N -2.266 118.168 120.500 -0.110 0.000 2.599 448 R HA 0.417 4.758 4.340 0.000 0.000 0.451 448 R C 0.486 176.680 176.300 -0.176 0.000 0.988 448 R CA 0.226 56.253 56.100 -0.122 0.000 1.085 448 R CB -0.822 29.399 30.300 -0.132 0.000 1.452 448 R HN 0.914 nan 8.270 nan 0.000 0.596 449 G N 0.045 108.738 108.800 -0.178 0.000 2.372 449 G HA2 0.081 4.041 3.960 0.000 0.000 0.290 449 G HA3 0.081 4.041 3.960 0.000 0.000 0.290 449 G C 0.324 174.949 174.900 -0.458 0.000 0.965 449 G CA 0.421 45.396 45.100 -0.208 0.000 1.263 449 G HN 1.082 nan 8.290 nan 0.000 0.498 450 G N -2.146 106.021 108.800 -1.054 0.000 2.350 450 G HA2 0.534 4.494 3.960 0.000 0.000 0.304 450 G HA3 0.534 4.494 3.960 0.000 0.000 0.304 450 G C -0.746 173.618 174.900 -0.892 0.000 1.421 450 G CA 0.189 44.589 45.100 -1.166 0.000 0.934 450 G HN 2.036 nan 8.290 nan 0.000 0.632 451 C N 1.806 120.845 119.300 -0.434 0.000 3.044 451 C HA 0.624 5.084 4.460 0.000 0.000 0.382 451 C C -2.618 172.206 174.990 -0.277 0.000 1.071 451 C CA -0.992 57.870 59.018 -0.260 0.000 1.296 451 C CB 0.416 28.076 27.740 -0.134 0.000 1.730 451 C HN 0.710 nan 8.230 nan 0.000 0.513 452 P HA 0.374 nan 4.420 nan 0.000 0.265 452 P C -0.614 176.524 177.300 -0.269 0.000 1.187 452 P CA 0.733 63.370 63.100 -0.771 0.000 0.766 452 P CB 0.534 31.876 31.700 -0.597 0.000 0.820 453 A N 1.797 124.512 122.820 -0.174 0.000 2.511 453 A HA 0.367 4.688 4.320 0.000 0.000 0.292 453 A C -1.429 176.176 177.584 0.036 0.000 1.045 453 A CA -0.516 51.527 52.037 0.011 0.000 0.870 453 A CB 0.780 19.882 19.000 0.170 0.000 1.361 453 A HN 0.431 nan 8.150 nan 0.000 0.396 454 D N 2.336 122.752 120.400 0.027 0.000 2.443 454 D HA 0.205 4.845 4.640 0.000 0.000 0.221 454 D C 0.897 177.290 176.300 0.155 0.000 1.097 454 D CA -0.501 53.555 54.000 0.092 0.000 0.865 454 D CB 0.282 41.108 40.800 0.043 0.000 1.034 454 D HN 0.563 nan 8.370 nan 0.000 0.511 455 W N 4.975 126.275 121.300 -0.000 0.000 2.304 455 W HA -0.266 4.394 4.660 0.000 0.000 0.315 455 W C 1.769 178.282 176.519 -0.010 0.000 1.233 455 W CA 1.312 58.637 57.345 -0.033 0.000 1.261 455 W CB -0.059 29.364 29.460 -0.061 0.000 1.150 455 W HN 0.451 nan 8.180 nan 0.000 0.494 456 I N -1.147 119.663 120.570 0.401 0.000 2.248 456 I HA -0.319 3.851 4.170 0.000 0.000 0.248 456 I C 1.811 177.990 176.117 0.103 0.000 1.107 456 I CA 1.766 63.248 61.300 0.303 0.000 1.373 456 I CB -1.225 36.979 38.000 0.339 0.000 1.055 456 I HN 0.170 nan 8.210 nan 0.000 0.418 457 W N 0.437 121.686 121.300 -0.086 0.000 2.576 457 W HA 0.101 4.761 4.660 0.001 0.000 0.275 457 W C 2.284 178.663 176.519 -0.234 0.000 1.241 457 W CA 0.244 57.507 57.345 -0.137 0.000 1.328 457 W CB -0.333 29.070 29.460 -0.094 0.000 1.092 457 W HN -0.050 nan 8.180 nan 0.000 0.586 458 L N 0.036 121.179 121.223 -0.133 0.000 2.554 458 L HA 0.069 4.409 4.340 0.000 0.000 0.226 458 L C 0.224 176.835 176.870 -0.432 0.000 1.137 458 L CA 0.150 54.785 54.840 -0.342 0.000 0.863 458 L CB -0.421 41.334 42.059 -0.506 0.000 0.985 458 L HN -0.375 nan 8.230 nan 0.000 0.451 459 V N 0.685 120.296 119.914 -0.506 0.000 2.439 459 V HA 0.277 4.397 4.120 0.000 0.000 0.282 459 V C -2.032 173.846 176.094 -0.360 0.000 1.039 459 V CA -1.582 60.401 62.300 -0.528 0.000 0.913 459 V CB 1.163 32.462 31.823 -0.874 0.000 0.983 459 V HN 0.002 nan 8.190 nan 0.000 0.460 460 P HA 0.276 nan 4.420 nan 0.000 0.274 460 P C -2.190 174.955 177.300 -0.258 0.000 1.231 460 P CA -1.522 61.423 63.100 -0.258 0.000 0.790 460 P CB 0.159 31.729 31.700 -0.216 0.000 0.951 461 P HA -0.021 nan 4.420 nan 0.000 0.242 461 P C -0.141 177.039 177.300 -0.200 0.000 1.197 461 P CA 0.672 63.635 63.100 -0.228 0.000 0.765 461 P CB 0.081 31.639 31.700 -0.237 0.000 0.936 462 V N -6.512 113.256 119.914 -0.243 0.000 3.078 462 V HA 0.654 4.774 4.120 0.000 0.000 0.311 462 V C 0.295 176.296 176.094 -0.154 0.000 1.138 462 V CA -0.626 61.562 62.300 -0.187 0.000 1.007 462 V CB 1.575 33.279 31.823 -0.198 0.000 1.045 462 V HN -0.077 nan 8.190 nan 0.000 0.432 463 S N 0.784 116.445 115.700 -0.066 0.000 3.361 463 S HA -0.204 4.267 4.470 0.000 0.000 0.288 463 S C 1.532 176.093 174.600 -0.065 0.000 1.269 463 S CA 1.495 59.685 58.200 -0.017 0.000 0.976 463 S CB -1.904 61.332 63.200 0.060 0.000 1.162 463 S HN 2.201 nan 8.310 nan 0.000 0.643 464 G N 2.305 111.056 108.800 -0.081 0.000 2.855 464 G HA2 -0.426 3.535 3.960 0.000 0.000 0.227 464 G HA3 -0.426 3.535 3.960 0.000 0.000 0.227 464 G C 1.524 176.276 174.900 -0.247 0.000 1.245 464 G CA 2.394 47.460 45.100 -0.056 0.000 0.781 464 G HN 1.248 nan 8.290 nan 0.000 0.666 465 S N 0.143 115.439 115.700 -0.673 0.000 2.392 465 S HA -0.161 4.309 4.470 0.000 0.000 0.232 465 S C 2.325 176.779 174.600 -0.243 0.000 1.041 465 S CA 1.721 59.320 58.200 -1.002 0.000 1.026 465 S CB -0.282 62.498 63.200 -0.700 0.000 0.845 465 S HN 0.255 nan 8.310 nan 0.000 0.465 466 I N 2.092 122.604 120.570 -0.096 0.000 2.830 466 I HA 0.019 4.189 4.170 0.000 0.000 0.263 466 I C 1.454 177.637 176.117 0.110 0.000 1.230 466 I CA 0.892 62.223 61.300 0.052 0.000 1.480 466 I CB -2.320 35.743 38.000 0.104 0.000 1.095 466 I HN 0.522 nan 8.210 nan 0.000 0.455 467 T N -1.669 112.925 114.554 0.067 0.000 2.922 467 T HA 0.335 4.685 4.350 0.000 0.000 0.285 467 T C -1.701 173.117 174.700 0.196 0.000 1.005 467 T CA -1.690 60.464 62.100 0.091 0.000 1.061 467 T CB 2.135 71.000 68.868 -0.005 0.000 1.007 467 T HN -0.170 nan 8.240 nan 0.000 0.502 468 P HA -0.063 nan 4.420 nan 0.000 0.217 468 P C 1.908 179.373 177.300 0.276 0.000 1.150 468 P CA 0.946 64.203 63.100 0.262 0.000 0.832 468 P CB -0.430 31.376 31.700 0.177 0.000 0.787 469 V N -3.373 116.637 119.914 0.160 0.000 2.688 469 V HA -0.247 3.873 4.120 0.000 0.000 0.256 469 V C 2.090 178.215 176.094 0.053 0.000 1.084 469 V CA 1.496 63.845 62.300 0.082 0.000 1.103 469 V CB -2.071 29.702 31.823 -0.083 0.000 0.688 469 V HN -0.053 nan 8.190 nan 0.000 0.480 470 F N 2.494 122.391 119.950 -0.088 0.000 2.134 470 F HA -0.074 4.453 4.527 0.001 0.000 0.299 470 F C 2.130 178.045 175.800 0.191 0.000 1.097 470 F CA 2.238 60.213 58.000 -0.042 0.000 1.264 470 F CB -0.412 38.448 39.000 -0.233 0.000 1.001 470 F HN 0.310 nan 8.300 nan 0.000 0.479 471 H N -1.423 117.976 119.070 0.548 0.000 2.539 471 H HA 0.127 4.683 4.556 0.000 0.000 0.267 471 H C 0.302 175.774 175.328 0.240 0.000 0.982 471 H CA 0.229 56.509 56.048 0.386 0.000 1.146 471 H CB -0.159 29.791 29.762 0.313 0.000 1.382 471 H HN 0.150 nan 8.280 nan 0.000 0.577 472 Q N 1.932 121.937 119.800 0.342 0.000 2.360 472 Q HA 0.126 4.466 4.340 0.000 0.000 0.254 472 Q C -0.733 175.412 176.000 0.241 0.000 0.975 472 Q CA -0.359 55.591 55.803 0.246 0.000 0.912 472 Q CB 0.457 29.330 28.738 0.224 0.000 1.212 472 Q HN 0.327 nan 8.270 nan 0.000 0.452 473 E N 3.921 124.194 120.200 0.123 0.000 2.414 473 E HA 0.213 4.564 4.350 0.000 0.000 0.263 473 E C -0.364 176.306 176.600 0.117 0.000 1.000 473 E CA 0.337 56.776 56.400 0.065 0.000 0.914 473 E CB 0.499 30.204 29.700 0.009 0.000 0.948 473 E HN 0.653 nan 8.360 nan 0.000 0.444 474 M N 0.979 120.665 119.600 0.144 0.000 2.484 474 M HA 0.433 4.914 4.480 0.000 0.000 0.289 474 M C -1.679 174.717 176.300 0.160 0.000 1.206 474 M CA -1.296 54.113 55.300 0.183 0.000 0.892 474 M CB 1.231 33.974 32.600 0.239 0.000 1.712 474 M HN 0.091 nan 8.290 nan 0.000 0.462 475 L N 2.541 123.883 121.223 0.199 0.000 2.307 475 L HA 0.505 4.845 4.340 0.000 0.000 0.282 475 L C -0.391 176.550 176.870 0.118 0.000 1.051 475 L CA -0.069 54.903 54.840 0.219 0.000 0.804 475 L CB 0.949 43.237 42.059 0.382 0.000 1.197 475 L HN 0.802 nan 8.230 nan 0.000 0.431 476 N N 2.965 121.732 118.700 0.113 0.000 2.546 476 N HA 0.355 5.095 4.740 0.000 0.000 0.238 476 N C -1.411 174.137 175.510 0.065 0.000 0.984 476 N CA -0.318 52.731 53.050 -0.001 0.000 0.935 476 N CB 0.250 38.759 38.487 0.036 0.000 1.122 476 N HN 0.396 nan 8.380 nan 0.000 0.510 477 Y N 0.262 120.571 120.300 0.016 0.000 2.499 477 Y HA 0.687 5.237 4.550 0.001 0.000 0.347 477 Y C -0.579 175.300 175.900 -0.035 0.000 0.987 477 Y CA -1.462 56.626 58.100 -0.019 0.000 1.044 477 Y CB 0.712 39.156 38.460 -0.026 0.000 1.245 477 Y HN -0.052 nan 8.280 nan 0.000 0.461 478 V N 4.865 124.787 119.914 0.014 0.000 2.385 478 V HA 0.314 4.434 4.120 0.000 0.000 0.269 478 V C 0.193 176.196 176.094 -0.151 0.000 1.043 478 V CA -0.371 61.760 62.300 -0.281 0.000 0.906 478 V CB 0.260 31.710 31.823 -0.621 0.000 0.995 478 V HN 0.769 nan 8.190 nan 0.000 0.467 479 L N 3.046 124.253 121.223 -0.026 0.000 2.693 479 L HA 0.736 5.077 4.340 0.000 0.000 0.253 479 L C 0.262 177.152 176.870 0.033 0.000 1.155 479 L CA -0.521 54.343 54.840 0.041 0.000 1.026 479 L CB 1.625 43.740 42.059 0.093 0.000 1.817 479 L HN 0.589 nan 8.230 nan 0.000 0.556 480 S N -0.319 115.415 115.700 0.055 0.000 2.536 480 S HA 0.564 5.034 4.470 0.000 0.000 0.271 480 S C -2.703 171.940 174.600 0.072 0.000 1.134 480 S CA -1.149 57.090 58.200 0.065 0.000 0.897 480 S CB 1.914 65.134 63.200 0.033 0.000 1.094 480 S HN 0.245 nan 8.310 nan 0.000 0.473 481 P HA 0.443 nan 4.420 nan 0.000 0.274 481 P C -1.110 176.155 177.300 -0.059 0.000 1.260 481 P CA -0.246 62.836 63.100 -0.031 0.000 0.793 481 P CB 0.332 31.960 31.700 -0.121 0.000 1.048 482 F N -0.756 118.983 119.950 -0.353 0.000 2.703 482 F HA 0.378 4.905 4.527 0.001 0.000 0.308 482 F C -1.593 173.883 175.800 -0.540 0.000 1.126 482 F CA -0.805 56.917 58.000 -0.463 0.000 0.959 482 F CB 1.264 39.976 39.000 -0.480 0.000 1.297 482 F HN 0.110 nan 8.300 nan 0.000 0.441 483 Y N 4.477 124.254 120.300 -0.872 0.000 2.417 483 Y HA 0.422 4.973 4.550 0.001 0.000 0.336 483 Y C -0.930 174.705 175.900 -0.441 0.000 0.961 483 Y CA -0.673 57.136 58.100 -0.485 0.000 1.215 483 Y CB 0.335 38.506 38.460 -0.482 0.000 1.120 483 Y HN 0.362 nan 8.280 nan 0.000 0.499 484 Y N 1.501 121.889 120.300 0.147 0.000 2.335 484 Y HA 0.295 4.845 4.550 0.000 0.000 0.323 484 Y C 0.153 176.065 175.900 0.021 0.000 1.224 484 Y CA -0.920 57.258 58.100 0.130 0.000 1.241 484 Y CB 0.744 39.303 38.460 0.166 0.000 1.235 484 Y HN 0.492 nan 8.280 nan 0.000 0.492 485 Y N 0.972 121.429 120.300 0.262 0.000 2.296 485 Y HA 0.254 4.804 4.550 0.000 0.000 0.343 485 Y C 0.137 176.110 175.900 0.123 0.000 1.292 485 Y CA -0.349 57.834 58.100 0.138 0.000 1.490 485 Y CB 0.606 39.113 38.460 0.079 0.000 1.359 485 Y HN 0.387 nan 8.280 nan 0.000 0.599 486 Q N 0.718 120.658 119.800 0.233 0.000 2.416 486 Q HA 0.415 4.755 4.340 0.000 0.000 0.281 486 Q C -1.307 174.677 176.000 -0.026 0.000 1.067 486 Q CA -0.987 54.865 55.803 0.081 0.000 0.809 486 Q CB 2.774 31.538 28.738 0.043 0.000 1.418 486 Q HN 0.528 nan 8.270 nan 0.000 0.411 487 I N 1.781 122.300 120.570 -0.084 0.000 2.683 487 I HA -0.074 4.096 4.170 0.000 0.000 0.286 487 I C 0.446 176.362 176.117 -0.335 0.000 1.175 487 I CA 0.417 61.609 61.300 -0.181 0.000 1.429 487 I CB 0.161 38.063 38.000 -0.164 0.000 1.371 487 I HN 0.484 nan 8.210 nan 0.000 0.569 488 E N 8.220 128.121 120.200 -0.499 0.000 2.585 488 E HA -0.087 4.263 4.350 0.000 0.000 0.252 488 E C -1.522 174.460 176.600 -1.030 0.000 0.981 488 E CA -0.879 54.960 56.400 -0.934 0.000 0.943 488 E CB 0.360 29.204 29.700 -1.426 0.000 0.923 488 E HN 0.379 nan 8.360 nan 0.000 0.486 489 P HA -0.223 nan 4.420 nan 0.000 0.218 489 P C 0.639 177.380 177.300 -0.932 0.000 1.154 489 P CA 1.530 64.040 63.100 -0.985 0.000 0.872 489 P CB -0.068 30.646 31.700 -1.644 0.000 0.790 490 W N -0.659 120.156 121.300 -0.808 0.000 2.937 490 W HA 0.188 4.848 4.660 0.000 0.000 0.245 490 W C 1.357 177.821 176.519 -0.091 0.000 1.306 490 W CA 0.284 57.410 57.345 -0.365 0.000 1.470 490 W CB -1.130 28.328 29.460 -0.003 0.000 1.132 490 W HN -0.127 nan 8.180 nan 0.000 0.675 491 K N 0.511 120.605 120.400 -0.509 0.000 2.418 491 K HA 0.020 4.340 4.320 0.000 0.000 0.195 491 K C 1.654 178.167 176.600 -0.144 0.000 1.035 491 K CA 1.606 57.732 56.287 -0.267 0.000 1.003 491 K CB 0.076 32.357 32.500 -0.365 0.000 0.793 491 K HN 0.372 nan 8.250 nan 0.000 0.494 492 T N -4.307 110.148 114.554 -0.165 0.000 3.010 492 T HA 0.017 4.367 4.350 0.000 0.000 0.253 492 T C 0.297 174.951 174.700 -0.077 0.000 0.939 492 T CA -0.424 61.609 62.100 -0.110 0.000 0.910 492 T CB -0.256 68.530 68.868 -0.137 0.000 1.226 492 T HN 0.118 nan 8.240 nan 0.000 0.508 493 H N 1.071 120.028 119.070 -0.189 0.000 2.848 493 H HA 0.506 5.062 4.556 0.000 0.000 0.341 493 H C -0.832 174.360 175.328 -0.226 0.000 1.060 493 H CA -0.305 55.625 56.048 -0.197 0.000 1.444 493 H CB 0.203 29.853 29.762 -0.186 0.000 1.446 493 H HN 0.150 nan 8.280 nan 0.000 0.583 494 I N 6.405 126.522 120.570 -0.756 0.000 2.328 494 I HA 0.136 4.306 4.170 0.000 0.000 0.287 494 I C -0.718 175.098 176.117 -0.501 0.000 1.012 494 I CA -0.086 60.953 61.300 -0.436 0.000 1.195 494 I CB 0.170 38.033 38.000 -0.229 0.000 1.350 494 I HN 0.566 nan 8.210 nan 0.000 0.464 495 W N 0.000 121.296 121.300 -0.006 0.000 2.388 495 W HA 0.000 4.660 4.660 0.000 0.000 0.303 495 W CA 0.000 57.407 57.345 0.103 0.000 1.226 495 W CB 0.000 29.551 29.460 0.152 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535