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 3e6l_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG 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 IEPWKTHIWQ 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 0.000 176.190 176.000 0.317 0.000 1.003 77 Q CA 0.000 55.860 55.803 0.095 0.000 1.022 77 Q CB 0.000 28.733 28.738 -0.008 0.000 1.108 78 Y N -2.664 117.724 120.300 0.148 0.000 2.620 78 Y HA 0.703 5.253 4.550 0.000 0.000 0.331 78 Y C -0.981 174.918 175.900 -0.002 0.000 1.173 78 Y CA -1.730 56.431 58.100 0.102 0.000 1.076 78 Y CB 0.770 39.260 38.460 0.050 0.000 1.336 78 Y HN 0.263 nan 8.280 nan 0.000 0.459 79 V N 3.214 123.238 119.914 0.182 0.000 2.539 79 V HA 0.525 4.645 4.120 0.000 0.000 0.292 79 V C 0.070 176.306 176.094 0.237 0.000 1.045 79 V CA -0.777 61.532 62.300 0.015 0.000 0.945 79 V CB 1.420 33.095 31.823 -0.247 0.000 0.993 79 V HN 0.807 nan 8.190 nan 0.000 0.464 80 R N 3.701 124.293 120.500 0.153 0.000 2.254 80 R HA 0.512 4.852 4.340 0.000 0.000 0.318 80 R C -1.163 175.209 176.300 0.121 0.000 1.031 80 R CA -0.433 55.793 56.100 0.211 0.000 0.905 80 R CB 0.619 31.006 30.300 0.144 0.000 1.050 80 R HN 0.512 nan 8.270 nan 0.000 0.456 81 I N 4.224 124.856 120.570 0.103 0.000 2.466 81 I HA 0.314 4.484 4.170 0.000 0.000 0.289 81 I C -0.465 175.627 176.117 -0.043 0.000 1.026 81 I CA -0.569 60.748 61.300 0.029 0.000 1.078 81 I CB 1.740 39.735 38.000 -0.007 0.000 1.249 81 I HN 0.636 nan 8.210 nan 0.000 0.429 82 K N 5.226 125.599 120.400 -0.045 0.000 2.259 82 K HA 0.394 4.714 4.320 0.000 0.000 0.249 82 K C -0.560 175.977 176.600 -0.104 0.000 0.942 82 K CA -0.598 55.580 56.287 -0.182 0.000 0.816 82 K CB 1.792 34.022 32.500 -0.451 0.000 1.155 82 K HN 0.646 nan 8.250 nan 0.000 0.428 83 N N 3.621 122.240 118.700 -0.135 0.000 2.621 83 N HA 0.148 4.888 4.740 0.000 0.000 0.237 83 N C -0.393 175.134 175.510 0.028 0.000 0.997 83 N CA -0.684 52.395 53.050 0.047 0.000 0.918 83 N CB 0.473 38.980 38.487 0.033 0.000 1.122 83 N HN 0.557 nan 8.380 nan 0.000 0.510 84 W N 2.370 123.743 121.300 0.121 0.000 2.848 84 W HA 0.184 4.844 4.660 0.000 0.000 0.241 84 W C 1.832 178.408 176.519 0.095 0.000 1.289 84 W CA -0.161 57.252 57.345 0.114 0.000 1.396 84 W CB 0.158 29.706 29.460 0.147 0.000 1.138 84 W HN 0.603 nan 8.180 nan 0.000 0.677 85 G N -0.802 108.151 108.800 0.256 0.000 2.608 85 G HA2 -0.078 3.882 3.960 0.000 0.000 0.210 85 G HA3 -0.078 3.882 3.960 0.000 0.000 0.210 85 G C 1.372 176.293 174.900 0.036 0.000 1.139 85 G CA 0.870 46.015 45.100 0.076 0.000 0.812 85 G HN 0.250 nan 8.290 nan 0.000 0.529 86 S N -1.660 114.062 115.700 0.036 0.000 2.666 86 S HA 0.406 4.876 4.470 0.000 0.000 0.239 86 S C 1.775 176.353 174.600 -0.037 0.000 1.031 86 S CA 0.994 59.192 58.200 -0.003 0.000 1.015 86 S CB 0.597 63.794 63.200 -0.005 0.000 0.981 86 S HN 1.422 nan 8.310 nan 0.000 0.547 87 G N 1.649 110.409 108.800 -0.066 0.000 2.245 87 G HA2 -0.272 3.688 3.960 0.000 0.000 0.264 87 G HA3 -0.272 3.688 3.960 0.000 0.000 0.264 87 G C -0.098 174.711 174.900 -0.153 0.000 0.985 87 G CA 0.313 45.331 45.100 -0.135 0.000 0.625 87 G HN 0.545 nan 8.290 nan 0.000 0.536 88 E N 0.639 120.770 120.200 -0.115 0.000 2.568 88 E HA 0.176 4.526 4.350 0.000 0.000 0.262 88 E C 0.651 177.157 176.600 -0.155 0.000 0.961 88 E CA 0.460 56.787 56.400 -0.122 0.000 0.945 88 E CB 0.668 30.308 29.700 -0.101 0.000 0.924 88 E HN 0.353 nan 8.360 nan 0.000 0.467 89 I N 4.021 124.497 120.570 -0.156 0.000 2.474 89 I HA 0.384 4.554 4.170 0.000 0.000 0.294 89 I C 0.243 176.238 176.117 -0.203 0.000 1.005 89 I CA -0.644 60.567 61.300 -0.148 0.000 1.113 89 I CB 1.022 38.966 38.000 -0.093 0.000 1.289 89 I HN 0.283 nan 8.210 nan 0.000 0.436 90 L N 5.279 126.395 121.223 -0.177 0.000 2.354 90 L HA 0.494 4.834 4.340 0.000 0.000 0.264 90 L C -0.630 176.266 176.870 0.044 0.000 1.008 90 L CA -0.714 53.982 54.840 -0.241 0.000 0.819 90 L CB 2.498 44.222 42.059 -0.557 0.000 1.339 90 L HN 0.542 nan 8.230 nan 0.000 0.420 91 H N 0.958 119.992 119.070 -0.060 0.000 2.551 91 H HA 0.186 4.742 4.556 0.000 0.000 0.321 91 H C -1.146 174.292 175.328 0.183 0.000 1.028 91 H CA -0.761 55.239 56.048 -0.080 0.000 1.215 91 H CB 2.193 31.527 29.762 -0.713 0.000 1.414 91 H HN 0.435 nan 8.280 nan 0.000 0.480 92 D N 2.983 123.630 120.400 0.412 0.000 2.359 92 D HA 0.019 4.659 4.640 0.000 0.000 0.230 92 D C 0.866 177.319 176.300 0.255 0.000 1.118 92 D CA -0.125 54.079 54.000 0.341 0.000 0.844 92 D CB 1.410 42.407 40.800 0.328 0.000 1.059 92 D HN 0.725 nan 8.370 nan 0.000 0.493 93 T N 1.191 115.813 114.554 0.113 0.000 3.018 93 T HA -0.072 4.278 4.350 0.000 0.000 0.246 93 T C 2.012 176.584 174.700 -0.213 0.000 1.026 93 T CA -0.183 61.906 62.100 -0.019 0.000 1.081 93 T CB -0.067 68.842 68.868 0.068 0.000 0.970 93 T HN 0.260 nan 8.240 nan 0.000 0.475 94 L N 3.444 124.585 121.223 -0.138 0.000 2.089 94 L HA -0.230 4.110 4.340 0.000 0.000 0.213 94 L C 2.605 179.260 176.870 -0.358 0.000 1.079 94 L CA 2.334 57.075 54.840 -0.165 0.000 0.758 94 L CB -1.067 40.941 42.059 -0.084 0.000 0.891 94 L HN 0.642 nan 8.230 nan 0.000 0.433 95 H N -2.222 116.394 119.070 -0.756 0.000 2.518 95 H HA -0.213 4.343 4.556 0.000 0.000 0.292 95 H C 1.839 176.844 175.328 -0.537 0.000 1.068 95 H CA 1.989 57.292 56.048 -1.241 0.000 1.275 95 H CB -1.183 27.878 29.762 -1.169 0.000 1.375 95 H HN 0.636 nan 8.280 nan 0.000 0.563 96 H N 1.144 119.675 119.070 -0.898 0.000 2.456 96 H HA 0.020 4.576 4.556 0.000 0.000 0.296 96 H C 1.520 176.677 175.328 -0.285 0.000 1.079 96 H CA 0.869 56.569 56.048 -0.579 0.000 1.322 96 H CB 0.329 29.816 29.762 -0.458 0.000 1.388 96 H HN 0.382 nan 8.280 nan 0.000 0.538 97 K N 0.785 121.116 120.400 -0.116 0.000 2.458 97 K HA 0.195 4.515 4.320 0.000 0.000 0.194 97 K C 0.722 177.312 176.600 -0.016 0.000 1.024 97 K CA -0.140 56.123 56.287 -0.039 0.000 1.108 97 K CB 0.626 33.118 32.500 -0.013 0.000 0.846 97 K HN 0.151 nan 8.250 nan 0.000 0.518 98 A N 1.586 124.376 122.820 -0.051 0.000 2.387 98 A HA 0.074 4.394 4.320 0.000 0.000 0.251 98 A C 1.279 178.868 177.584 0.009 0.000 1.113 98 A CA 0.293 52.337 52.037 0.012 0.000 0.794 98 A CB 0.125 19.132 19.000 0.012 0.000 1.069 98 A HN 0.350 nan 8.150 nan 0.000 0.506 99 T N -1.120 113.434 114.554 0.001 0.000 2.813 99 T HA 0.311 4.661 4.350 0.000 0.000 0.188 99 T C 1.362 176.068 174.700 0.009 0.000 0.698 99 T CA 0.728 62.829 62.100 0.002 0.000 2.089 99 T CB -1.000 67.855 68.868 -0.023 0.000 2.834 99 T HN 1.214 nan 8.240 nan 0.000 0.370 109 C N 4.756 124.066 119.300 0.017 0.000 2.256 109 C HA 0.549 5.009 4.460 0.000 0.000 0.333 109 C C 0.392 175.400 174.990 0.029 0.000 1.183 109 C CA -0.584 58.447 59.018 0.020 0.000 1.692 109 C CB -1.971 25.776 27.740 0.013 0.000 2.274 109 C HN 0.796 nan 8.230 nan 0.000 0.509 110 L N 7.372 128.617 121.223 0.036 0.000 2.388 110 L HA 0.229 4.569 4.340 0.000 0.000 0.252 110 L C 1.531 178.437 176.870 0.059 0.000 1.357 110 L CA 0.764 55.633 54.840 0.047 0.000 1.214 110 L CB -0.536 41.553 42.059 0.050 0.000 1.392 110 L HN 0.978 nan 8.230 nan 0.000 0.432 111 G N 0.158 108.993 108.800 0.058 0.000 2.518 111 G HA2 -0.135 3.825 3.960 0.000 0.000 0.213 111 G HA3 -0.135 3.825 3.960 0.000 0.000 0.213 111 G C 1.095 176.060 174.900 0.108 0.000 1.226 111 G CA 0.555 45.699 45.100 0.073 0.000 0.822 111 G HN 0.542 nan 8.290 nan 0.000 0.546 112 S N 0.923 116.685 115.700 0.103 0.000 2.930 112 S HA 0.387 4.857 4.470 0.000 0.000 0.257 112 S C 0.174 174.853 174.600 0.132 0.000 1.208 112 S CA -0.459 57.818 58.200 0.130 0.000 1.233 112 S CB -0.342 62.919 63.200 0.101 0.000 0.900 112 S HN 0.060 nan 8.310 nan 0.000 0.472 113 I N 2.411 123.062 120.570 0.135 0.000 2.315 113 I HA 0.245 4.415 4.170 0.000 0.000 0.291 113 I C 1.511 177.730 176.117 0.171 0.000 1.006 113 I CA -0.562 60.813 61.300 0.125 0.000 1.265 113 I CB 0.730 38.788 38.000 0.097 0.000 1.387 113 I HN 0.314 nan 8.210 nan 0.000 0.475 114 M N 4.504 124.208 119.600 0.174 0.000 2.065 114 M HA -0.148 4.332 4.480 0.000 0.000 0.259 114 M C 0.344 176.734 176.300 0.149 0.000 1.071 114 M CA 1.716 57.150 55.300 0.223 0.000 1.109 114 M CB -0.346 32.347 32.600 0.155 0.000 1.313 114 M HN 0.493 nan 8.290 nan 0.000 0.408 115 N N 1.160 119.897 118.700 0.061 0.000 2.918 115 N HA 0.313 5.053 4.740 0.000 0.000 0.270 115 N C -2.443 173.131 175.510 0.107 0.000 1.536 115 N CA -0.792 52.278 53.050 0.033 0.000 0.877 115 N CB 0.680 39.079 38.487 -0.146 0.000 1.190 115 N HN 0.258 nan 8.380 nan 0.000 0.492 116 P HA 0.182 nan 4.420 nan 0.000 0.275 116 P C 0.656 178.032 177.300 0.127 0.000 1.228 116 P CA -0.314 62.855 63.100 0.115 0.000 0.786 116 P CB 1.983 33.746 31.700 0.105 0.000 0.927 117 K N 0.778 121.232 120.400 0.091 0.000 2.211 117 K HA -0.107 4.213 4.320 0.000 0.000 0.204 117 K C 1.994 178.656 176.600 0.105 0.000 1.047 117 K CA 1.911 58.250 56.287 0.086 0.000 0.935 117 K CB -0.312 32.219 32.500 0.053 0.000 0.728 117 K HN 0.540 nan 8.250 nan 0.000 0.452 118 S N 0.941 116.699 115.700 0.097 0.000 2.419 118 S HA -0.094 4.376 4.470 0.000 0.000 0.233 118 S C 1.650 176.338 174.600 0.148 0.000 1.016 118 S CA 0.881 59.137 58.200 0.092 0.000 0.974 118 S CB -0.200 63.031 63.200 0.053 0.000 0.786 118 S HN 0.241 nan 8.310 nan 0.000 0.492 119 L N 1.007 122.341 121.223 0.186 0.000 2.667 119 L HA 0.262 4.602 4.340 0.000 0.000 0.232 119 L C -0.152 176.957 176.870 0.398 0.000 1.138 119 L CA 0.014 54.986 54.840 0.221 0.000 0.921 119 L CB 0.131 42.239 42.059 0.081 0.000 1.180 119 L HN 0.143 nan 8.230 nan 0.000 0.487 120 T N 0.466 115.237 114.554 0.362 0.000 2.770 120 T HA 0.339 4.689 4.350 0.000 0.000 0.283 120 T C -0.260 174.517 174.700 0.130 0.000 0.988 120 T CA -0.396 61.880 62.100 0.293 0.000 0.957 120 T CB 1.719 70.700 68.868 0.188 0.000 0.930 120 T HN -0.069 nan 8.240 nan 0.000 0.443 121 R N 2.711 123.238 120.500 0.046 0.000 2.233 121 R HA 0.577 4.917 4.340 0.000 0.000 0.334 121 R C 0.631 176.880 176.300 -0.084 0.000 1.037 121 R CA -0.453 55.527 56.100 -0.200 0.000 0.920 121 R CB -0.072 29.943 30.300 -0.474 0.000 1.137 121 R HN 0.770 nan 8.270 nan 0.000 0.492 122 G N 3.891 112.644 108.800 -0.078 0.000 2.553 122 G HA2 0.298 4.258 3.960 0.000 0.000 0.278 122 G HA3 0.298 4.258 3.960 0.000 0.000 0.278 122 G C -1.961 172.898 174.900 -0.069 0.000 1.349 122 G CA -0.906 44.156 45.100 -0.063 0.000 1.037 122 G HN 0.614 nan 8.290 nan 0.000 0.508 123 P HA 0.376 nan 4.420 nan 0.000 0.277 123 P C -0.712 176.555 177.300 -0.056 0.000 1.276 123 P CA -0.264 62.800 63.100 -0.060 0.000 0.788 123 P CB 1.015 32.677 31.700 -0.063 0.000 1.114 124 R N -0.949 119.519 120.500 -0.054 0.000 2.692 124 R HA 0.267 4.607 4.340 0.000 0.000 0.269 124 R C -0.863 175.402 176.300 -0.058 0.000 1.030 124 R CA -0.497 55.572 56.100 -0.051 0.000 0.882 124 R CB 1.185 31.457 30.300 -0.048 0.000 1.250 124 R HN 0.426 nan 8.270 nan 0.000 0.465 125 D N -0.149 120.219 120.400 -0.053 0.000 2.582 125 D HA 0.205 4.845 4.640 0.000 0.000 0.246 125 D C -0.566 175.704 176.300 -0.050 0.000 1.334 125 D CA -0.281 53.681 54.000 -0.063 0.000 0.805 125 D CB 0.585 41.351 40.800 -0.056 0.000 1.087 125 D HN 0.207 nan 8.370 nan 0.000 0.499 126 K N 0.224 120.601 120.400 -0.038 0.000 2.546 126 K HA 0.459 4.779 4.320 0.000 0.000 0.264 126 K C -2.960 173.631 176.600 -0.016 0.000 0.937 126 K CA -1.842 54.431 56.287 -0.023 0.000 0.833 126 K CB 2.426 34.916 32.500 -0.016 0.000 1.378 126 K HN -0.203 nan 8.250 nan 0.000 0.432 127 P HA -0.018 nan 4.420 nan 0.000 0.270 127 P C -0.690 176.614 177.300 0.006 0.000 1.227 127 P CA -0.125 62.978 63.100 0.004 0.000 0.788 127 P CB 0.330 32.040 31.700 0.017 0.000 0.926 128 T N 3.180 117.742 114.554 0.013 0.000 2.799 128 T HA 0.161 4.511 4.350 0.000 0.000 0.296 128 T C -2.137 172.580 174.700 0.029 0.000 0.947 128 T CA -0.696 61.418 62.100 0.023 0.000 1.141 128 T CB -0.541 68.351 68.868 0.040 0.000 0.891 128 T HN 0.276 nan 8.240 nan 0.000 0.533 129 P HA 0.019 nan 4.420 nan 0.000 0.258 129 P C 0.660 177.972 177.300 0.020 0.000 1.172 129 P CA -0.169 62.941 63.100 0.017 0.000 0.762 129 P CB 0.357 32.064 31.700 0.012 0.000 0.764 130 L N 3.969 125.201 121.223 0.014 0.000 2.129 130 L HA -0.228 4.112 4.340 0.000 0.000 0.212 130 L C 2.350 179.216 176.870 -0.007 0.000 1.087 130 L CA 1.775 56.621 54.840 0.009 0.000 0.757 130 L CB -1.143 40.919 42.059 0.005 0.000 0.896 130 L HN 0.494 nan 8.230 nan 0.000 0.434 131 E N 0.096 120.289 120.200 -0.012 0.000 2.153 131 E HA -0.239 4.111 4.350 0.000 0.000 0.194 131 E C 1.551 178.120 176.600 -0.052 0.000 0.988 131 E CA 1.579 57.961 56.400 -0.029 0.000 0.811 131 E CB -0.351 29.335 29.700 -0.024 0.000 0.746 131 E HN 0.668 nan 8.360 nan 0.000 0.466 132 E N 1.032 121.215 120.200 -0.027 0.000 2.075 132 E HA 0.048 4.398 4.350 0.000 0.000 0.190 132 E C 2.475 179.062 176.600 -0.021 0.000 0.969 132 E CA 0.195 56.570 56.400 -0.041 0.000 0.815 132 E CB -0.192 29.546 29.700 0.063 0.000 0.776 132 E HN 0.131 nan 8.360 nan 0.000 0.457 133 L N 1.287 122.548 121.223 0.063 0.000 1.956 133 L HA -0.225 4.115 4.340 0.000 0.000 0.216 133 L C 2.584 179.483 176.870 0.049 0.000 1.073 133 L CA 1.102 56.010 54.840 0.113 0.000 0.762 133 L CB -0.244 41.873 42.059 0.097 0.000 0.889 133 L HN 0.162 nan 8.230 nan 0.000 0.433 134 L N 0.358 121.567 121.223 -0.024 0.000 2.051 134 L HA -0.162 4.178 4.340 0.000 0.000 0.214 134 L C -0.624 176.213 176.870 -0.055 0.000 1.076 134 L CA 2.165 56.967 54.840 -0.063 0.000 0.758 134 L CB -1.632 40.389 42.059 -0.063 0.000 0.890 134 L HN 0.151 nan 8.230 nan 0.000 0.433 135 P HA -0.152 nan 4.420 nan 0.000 0.215 135 P C 1.280 178.547 177.300 -0.055 0.000 1.157 135 P CA 1.660 64.682 63.100 -0.131 0.000 0.868 135 P CB -0.237 31.305 31.700 -0.265 0.000 0.788 136 H N -0.658 118.451 119.070 0.064 0.000 2.353 136 H HA 0.017 4.573 4.556 0.000 0.000 0.300 136 H C 1.968 177.396 175.328 0.166 0.000 1.090 136 H CA 1.539 57.652 56.048 0.109 0.000 1.327 136 H CB -1.051 28.770 29.762 0.099 0.000 1.383 136 H HN 0.048 nan 8.280 nan 0.000 0.508 137 A N 1.842 124.801 122.820 0.232 0.000 1.851 137 A HA -0.142 4.178 4.320 0.000 0.000 0.216 137 A C 2.512 180.203 177.584 0.180 0.000 1.195 137 A CA 1.447 53.589 52.037 0.175 0.000 0.622 137 A CB -0.645 18.224 19.000 -0.219 0.000 0.831 137 A HN 0.191 nan 8.150 nan 0.000 0.444 138 I N 0.147 120.768 120.570 0.085 0.000 2.113 138 I HA -0.281 3.889 4.170 0.000 0.000 0.242 138 I C 2.499 178.706 176.117 0.150 0.000 1.064 138 I CA 2.277 63.632 61.300 0.091 0.000 1.320 138 I CB -1.486 36.542 38.000 0.046 0.000 1.028 138 I HN 0.558 nan 8.210 nan 0.000 0.406 139 E N 1.529 121.830 120.200 0.168 0.000 2.048 139 E HA -0.311 4.039 4.350 0.000 0.000 0.202 139 E C 2.242 178.985 176.600 0.239 0.000 1.021 139 E CA 1.894 58.411 56.400 0.194 0.000 0.825 139 E CB -0.836 29.000 29.700 0.227 0.000 0.756 139 E HN 0.345 nan 8.360 nan 0.000 0.454 140 F N 0.941 120.995 119.950 0.173 0.000 2.069 140 F HA -0.181 4.346 4.527 0.000 0.000 0.298 140 F C 2.052 177.957 175.800 0.176 0.000 1.113 140 F CA 1.660 59.774 58.000 0.191 0.000 1.214 140 F CB -0.485 38.647 39.000 0.220 0.000 0.978 140 F HN 0.106 nan 8.300 nan 0.000 0.474 141 I N 1.066 121.614 120.570 -0.037 0.000 2.315 141 I HA -0.343 3.827 4.170 0.000 0.000 0.251 141 I C 1.983 178.077 176.117 -0.039 0.000 1.125 141 I CA 1.376 62.626 61.300 -0.083 0.000 1.392 141 I CB -1.570 36.533 38.000 0.172 0.000 1.065 141 I HN 0.326 nan 8.210 nan 0.000 0.424 142 N N 0.494 119.213 118.700 0.032 0.000 2.216 142 N HA -0.190 4.551 4.740 0.000 0.000 0.183 142 N C 1.841 177.299 175.510 -0.086 0.000 1.017 142 N CA 0.831 53.905 53.050 0.039 0.000 0.861 142 N CB -0.218 38.364 38.487 0.158 0.000 0.986 142 N HN 0.541 nan 8.380 nan 0.000 0.428 143 Q N 0.249 119.997 119.800 -0.086 0.000 1.993 143 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 143 Q C 2.078 177.872 176.000 -0.344 0.000 0.984 143 Q CA 1.290 57.044 55.803 -0.082 0.000 0.837 143 Q CB -0.301 28.497 28.738 0.100 0.000 0.902 143 Q HN 0.395 nan 8.270 nan 0.000 0.423 144 Y N -0.058 119.755 120.300 -0.811 0.000 2.040 144 Y HA -0.356 4.194 4.550 0.000 0.000 0.275 144 Y C 1.812 177.006 175.900 -1.177 0.000 1.171 144 Y CA 2.325 59.580 58.100 -1.407 0.000 1.123 144 Y CB -0.524 37.078 38.460 -1.429 0.000 0.963 144 Y HN 0.249 nan 8.280 nan 0.000 0.493 145 Y N -0.165 119.761 120.300 -0.624 0.000 2.352 145 Y HA -0.028 4.522 4.550 0.000 0.000 0.292 145 Y C 2.562 178.237 175.900 -0.375 0.000 1.136 145 Y CA 1.240 59.061 58.100 -0.466 0.000 1.227 145 Y CB -0.827 37.239 38.460 -0.657 0.000 0.991 145 Y HN 0.256 nan 8.280 nan 0.000 0.545 146 G N -1.479 107.157 108.800 -0.274 0.000 2.744 146 G HA2 -0.146 3.814 3.960 0.000 0.000 0.211 146 G HA3 -0.146 3.814 3.960 0.000 0.000 0.211 146 G C 1.633 176.394 174.900 -0.231 0.000 1.143 146 G CA 0.828 45.844 45.100 -0.140 0.000 0.788 146 G HN 0.442 nan 8.290 nan 0.000 0.534 147 S N -0.180 115.200 115.700 -0.533 0.000 2.527 147 S HA 0.261 4.731 4.470 0.000 0.000 0.222 147 S C 0.439 174.732 174.600 -0.511 0.000 0.985 147 S CA -0.491 57.400 58.200 -0.515 0.000 0.921 147 S CB -0.290 62.527 63.200 -0.638 0.000 0.772 147 S HN 0.021 nan 8.310 nan 0.000 0.529 148 F N 2.576 122.393 119.950 -0.222 0.000 2.399 148 F HA 0.462 4.989 4.527 0.000 0.000 0.342 148 F C 1.538 177.291 175.800 -0.077 0.000 1.106 148 F CA -1.200 56.706 58.000 -0.157 0.000 1.196 148 F CB 0.830 39.728 39.000 -0.170 0.000 1.163 148 F HN -0.024 nan 8.300 nan 0.000 0.547 149 K N 0.999 121.478 120.400 0.132 0.000 2.103 149 K HA -0.103 4.217 4.320 0.000 0.000 0.207 149 K C -0.260 176.382 176.600 0.071 0.000 1.048 149 K CA 1.465 57.795 56.287 0.072 0.000 0.930 149 K CB 0.110 32.642 32.500 0.055 0.000 0.716 149 K HN 0.678 nan 8.250 nan 0.000 0.444 150 E N 0.569 120.821 120.200 0.087 0.000 2.267 150 E HA 0.268 4.618 4.350 0.000 0.000 0.248 150 E C -1.250 175.388 176.600 0.064 0.000 0.899 150 E CA -0.629 55.804 56.400 0.054 0.000 0.764 150 E CB 1.677 31.389 29.700 0.020 0.000 1.227 150 E HN 0.305 nan 8.360 nan 0.000 0.421 151 A N 3.564 126.437 122.820 0.089 0.000 2.615 151 A HA -0.063 4.257 4.320 0.000 0.000 0.230 151 A C 0.203 177.819 177.584 0.053 0.000 1.062 151 A CA 0.537 52.645 52.037 0.119 0.000 0.758 151 A CB 0.226 19.295 19.000 0.114 0.000 0.995 151 A HN 0.581 nan 8.150 nan 0.000 0.511 152 K N 2.683 123.128 120.400 0.076 0.000 2.877 152 K HA 0.297 4.617 4.320 0.000 0.000 0.176 152 K C 0.313 176.922 176.600 0.014 0.000 1.075 152 K CA -0.205 56.083 56.287 0.002 0.000 0.939 152 K CB 0.459 32.915 32.500 -0.074 0.000 1.237 152 K HN 0.683 nan 8.250 nan 0.000 0.607 153 I N 0.727 121.310 120.570 0.023 0.000 2.248 153 I HA -0.361 3.809 4.170 0.000 0.000 0.248 153 I C 2.513 178.582 176.117 -0.079 0.000 1.107 153 I CA 1.614 62.908 61.300 -0.009 0.000 1.373 153 I CB -0.116 37.869 38.000 -0.025 0.000 1.055 153 I HN 0.587 nan 8.210 nan 0.000 0.418 154 E N 1.543 121.702 120.200 -0.068 0.000 2.023 154 E HA -0.265 4.086 4.350 0.000 0.000 0.196 154 E C 2.029 178.567 176.600 -0.102 0.000 1.003 154 E CA 1.725 58.079 56.400 -0.076 0.000 0.809 154 E CB -0.019 29.651 29.700 -0.052 0.000 0.755 154 E HN 0.516 nan 8.360 nan 0.000 0.449 155 E N -0.498 119.638 120.200 -0.106 0.000 2.085 155 E HA -0.255 4.095 4.350 0.000 0.000 0.194 155 E C 2.134 178.510 176.600 -0.373 0.000 0.994 155 E CA 1.340 57.661 56.400 -0.132 0.000 0.801 155 E CB -0.395 29.293 29.700 -0.020 0.000 0.743 155 E HN 0.501 nan 8.360 nan 0.000 0.453 156 H N 0.616 119.215 119.070 -0.786 0.000 2.265 156 H HA -0.162 4.394 4.556 0.000 0.000 0.295 156 H C 2.127 177.163 175.328 -0.485 0.000 1.084 156 H CA 1.050 56.420 56.048 -1.131 0.000 1.261 156 H CB 0.159 29.538 29.762 -0.639 0.000 1.360 156 H HN 0.048 nan 8.280 nan 0.000 0.487 157 L N 0.760 121.831 121.223 -0.252 0.000 2.017 157 L HA -0.147 4.193 4.340 0.000 0.000 0.208 157 L C 3.025 179.828 176.870 -0.111 0.000 1.073 157 L CA 1.594 56.307 54.840 -0.211 0.000 0.745 157 L CB -1.811 40.134 42.059 -0.189 0.000 0.894 157 L HN 0.478 nan 8.230 nan 0.000 0.432 158 A N -0.096 122.665 122.820 -0.098 0.000 1.883 158 A HA -0.281 4.039 4.320 0.000 0.000 0.217 158 A C 2.442 180.017 177.584 -0.014 0.000 1.186 158 A CA 2.061 54.069 52.037 -0.048 0.000 0.624 158 A CB -0.520 18.458 19.000 -0.037 0.000 0.822 158 A HN 0.314 nan 8.150 nan 0.000 0.444 159 R N -0.004 120.488 120.500 -0.013 0.000 2.081 159 R HA -0.012 4.328 4.340 0.000 0.000 0.235 159 R C 1.925 178.278 176.300 0.087 0.000 1.131 159 R CA 1.693 57.842 56.100 0.082 0.000 0.960 159 R CB -1.021 29.398 30.300 0.199 0.000 0.856 159 R HN 0.525 nan 8.270 nan 0.000 0.436 160 L N 0.310 121.573 121.223 0.066 0.000 2.042 160 L HA -0.183 4.157 4.340 0.000 0.000 0.210 160 L C 2.598 179.476 176.870 0.012 0.000 1.076 160 L CA 2.072 56.947 54.840 0.059 0.000 0.749 160 L CB -0.503 41.576 42.059 0.033 0.000 0.893 160 L HN 0.445 nan 8.230 nan 0.000 0.432 161 E N 0.147 120.344 120.200 -0.004 0.000 2.047 161 E HA -0.227 4.123 4.350 0.000 0.000 0.191 161 E C 2.223 178.825 176.600 0.002 0.000 0.987 161 E CA 1.065 57.458 56.400 -0.011 0.000 0.799 161 E CB -0.031 29.659 29.700 -0.018 0.000 0.752 161 E HN 0.427 nan 8.360 nan 0.000 0.449 162 A N 0.786 123.618 122.820 0.020 0.000 1.917 162 A HA -0.182 4.138 4.320 0.000 0.000 0.219 162 A C 2.400 180.008 177.584 0.039 0.000 1.182 162 A CA 1.819 53.878 52.037 0.037 0.000 0.633 162 A CB -0.778 18.257 19.000 0.059 0.000 0.819 162 A HN 0.251 nan 8.150 nan 0.000 0.448 163 V N -0.631 119.301 119.914 0.031 0.000 2.379 163 V HA -0.192 3.928 4.120 0.000 0.000 0.245 163 V C 2.699 178.741 176.094 -0.087 0.000 1.044 163 V CA 2.335 64.620 62.300 -0.024 0.000 1.036 163 V CB -1.337 30.441 31.823 -0.077 0.000 0.664 163 V HN 0.600 nan 8.190 nan 0.000 0.453 164 T N -0.233 114.283 114.554 -0.063 0.000 2.652 164 T HA -0.228 4.122 4.350 0.000 0.000 0.267 164 T C 2.050 176.729 174.700 -0.034 0.000 1.039 164 T CA 1.669 63.732 62.100 -0.060 0.000 1.153 164 T CB -0.278 68.567 68.868 -0.040 0.000 0.863 164 T HN 0.239 nan 8.240 nan 0.000 0.428 165 K N 1.146 121.538 120.400 -0.014 0.000 2.103 165 K HA -0.051 4.269 4.320 0.000 0.000 0.207 165 K C 2.172 178.780 176.600 0.013 0.000 1.048 165 K CA 1.169 57.456 56.287 0.001 0.000 0.930 165 K CB -0.347 32.157 32.500 0.007 0.000 0.716 165 K HN 0.496 nan 8.250 nan 0.000 0.444 166 E N -0.027 120.187 120.200 0.023 0.000 2.204 166 E HA -0.113 4.237 4.350 0.000 0.000 0.194 166 E C 1.617 178.248 176.600 0.053 0.000 0.989 166 E CA 0.855 57.287 56.400 0.053 0.000 0.824 166 E CB 0.046 29.804 29.700 0.097 0.000 0.756 166 E HN 0.278 nan 8.360 nan 0.000 0.477 167 I N 0.506 121.085 120.570 0.016 0.000 2.480 167 I HA -0.154 4.016 4.170 0.000 0.000 0.251 167 I C 2.064 178.191 176.117 0.017 0.000 1.124 167 I CA 0.734 62.044 61.300 0.017 0.000 1.444 167 I CB -0.205 37.771 38.000 -0.040 0.000 1.098 167 I HN 0.084 nan 8.210 nan 0.000 0.428 168 E N 0.812 121.016 120.200 0.006 0.000 2.077 168 E HA -0.212 4.138 4.350 0.000 0.000 0.193 168 E C 2.182 178.792 176.600 0.016 0.000 0.989 168 E CA 2.129 58.533 56.400 0.007 0.000 0.800 168 E CB -0.172 29.529 29.700 0.001 0.000 0.746 168 E HN 0.579 nan 8.360 nan 0.000 0.452 169 T N -1.763 112.804 114.554 0.022 0.000 2.985 169 T HA -0.063 4.287 4.350 0.000 0.000 0.266 169 T C 2.053 176.773 174.700 0.034 0.000 1.076 169 T CA 1.441 63.556 62.100 0.026 0.000 1.135 169 T CB -0.126 68.758 68.868 0.027 0.000 0.890 169 T HN 0.234 nan 8.240 nan 0.000 0.480 170 T N -3.047 111.534 114.554 0.044 0.000 2.955 170 T HA 0.494 4.844 4.350 0.000 0.000 0.251 170 T C 1.724 176.457 174.700 0.055 0.000 1.002 170 T CA 0.596 62.727 62.100 0.052 0.000 0.970 170 T CB -0.073 68.834 68.868 0.065 0.000 1.091 170 T HN 0.986 nan 8.240 nan 0.000 0.495 171 G N 0.464 109.297 108.800 0.055 0.000 2.160 171 G HA2 -0.032 3.928 3.960 0.000 0.000 0.244 171 G HA3 -0.032 3.928 3.960 0.000 0.000 0.244 171 G C 0.127 175.075 174.900 0.081 0.000 1.022 171 G CA 0.593 45.725 45.100 0.054 0.000 0.741 171 G HN 1.147 nan 8.290 nan 0.000 0.508 172 T N -1.930 112.699 114.554 0.124 0.000 2.661 172 T HA 0.597 4.947 4.350 0.000 0.000 0.274 172 T C -1.649 173.259 174.700 0.347 0.000 2.041 172 T CA 0.573 62.801 62.100 0.213 0.000 0.941 172 T CB 0.503 69.440 68.868 0.116 0.000 2.190 172 T HN 1.904 nan 8.240 nan 0.000 0.426 173 Y N -0.553 119.761 120.300 0.022 0.000 2.779 173 Y HA 0.787 5.337 4.550 0.000 0.000 0.340 173 Y C -1.912 174.014 175.900 0.043 0.000 1.252 173 Y CA -1.207 56.916 58.100 0.039 0.000 1.072 173 Y CB 0.501 38.995 38.460 0.058 0.000 1.343 173 Y HN 0.509 nan 8.280 nan 0.000 0.450 174 Q N 2.007 121.796 119.800 -0.018 0.000 2.312 174 Q HA 0.553 4.893 4.340 0.000 0.000 0.263 174 Q C -0.933 175.034 176.000 -0.056 0.000 0.995 174 Q CA -0.780 54.971 55.803 -0.087 0.000 0.853 174 Q CB 2.919 31.664 28.738 0.012 0.000 1.300 174 Q HN 0.824 nan 8.270 nan 0.000 0.448 175 L N 1.565 122.738 121.223 -0.082 0.000 2.395 175 L HA 0.323 4.663 4.340 0.000 0.000 0.269 175 L C 1.085 177.964 176.870 0.015 0.000 1.133 175 L CA -0.543 54.298 54.840 0.001 0.000 0.812 175 L CB 0.824 42.886 42.059 0.004 0.000 1.125 175 L HN 0.670 nan 8.230 nan 0.000 0.452 176 T N -0.660 113.897 114.554 0.005 0.000 2.898 176 T HA 0.078 4.429 4.350 0.000 0.000 0.301 176 T C 1.023 175.718 174.700 -0.009 0.000 1.049 176 T CA -0.660 61.439 62.100 -0.002 0.000 1.095 176 T CB 0.990 69.847 68.868 -0.018 0.000 0.976 176 T HN 0.494 nan 8.240 nan 0.000 0.539 177 L N 1.129 122.354 121.223 0.003 0.000 2.043 177 L HA -0.107 4.234 4.340 0.000 0.000 0.212 177 L C 2.194 179.077 176.870 0.020 0.000 1.075 177 L CA 2.005 56.843 54.840 -0.003 0.000 0.752 177 L CB -1.061 40.997 42.059 -0.002 0.000 0.891 177 L HN 0.796 nan 8.230 nan 0.000 0.432 178 D N -0.412 120.018 120.400 0.050 0.000 2.104 178 D HA -0.215 4.425 4.640 0.000 0.000 0.194 178 D C 1.993 178.392 176.300 0.164 0.000 0.994 178 D CA 1.773 55.853 54.000 0.135 0.000 0.830 178 D CB 0.054 40.985 40.800 0.217 0.000 0.959 178 D HN 0.592 nan 8.370 nan 0.000 0.452 179 E N 0.246 120.406 120.200 -0.067 0.000 2.077 179 E HA -0.168 4.182 4.350 0.000 0.000 0.193 179 E C 2.170 178.917 176.600 0.246 0.000 0.989 179 E CA 0.311 56.663 56.400 -0.080 0.000 0.800 179 E CB -0.089 29.478 29.700 -0.222 0.000 0.746 179 E HN 0.115 nan 8.360 nan 0.000 0.452 180 L N 1.408 122.681 121.223 0.082 0.000 2.017 180 L HA -0.169 4.171 4.340 0.000 0.000 0.208 180 L C 2.077 178.956 176.870 0.015 0.000 1.073 180 L CA 1.561 56.392 54.840 -0.015 0.000 0.745 180 L CB -0.334 41.662 42.059 -0.104 0.000 0.894 180 L HN 0.113 nan 8.230 nan 0.000 0.432 181 I N -1.245 119.361 120.570 0.059 0.000 2.127 181 I HA -0.346 3.824 4.170 0.000 0.000 0.241 181 I C 2.421 178.627 176.117 0.149 0.000 1.075 181 I CA 1.873 63.210 61.300 0.061 0.000 1.334 181 I CB -0.516 37.525 38.000 0.068 0.000 1.040 181 I HN 0.333 nan 8.210 nan 0.000 0.405 182 F N 1.887 121.911 119.950 0.123 0.000 2.126 182 F HA -0.281 4.246 4.527 0.000 0.000 0.299 182 F C 2.458 178.368 175.800 0.183 0.000 1.096 182 F CA 1.567 59.676 58.000 0.182 0.000 1.255 182 F CB -0.342 38.837 39.000 0.298 0.000 0.997 182 F HN 0.016 nan 8.300 nan 0.000 0.479 183 A N -0.046 122.922 122.820 0.247 0.000 1.902 183 A HA -0.219 4.101 4.320 0.000 0.000 0.217 183 A C 2.278 179.776 177.584 -0.144 0.000 1.181 183 A CA 2.581 54.637 52.037 0.031 0.000 0.623 183 A CB -1.658 17.305 19.000 -0.061 0.000 0.818 183 A HN 0.561 nan 8.150 nan 0.000 0.443 184 T N -1.771 112.727 114.554 -0.094 0.000 2.821 184 T HA -0.122 4.228 4.350 0.000 0.000 0.267 184 T C 1.801 176.533 174.700 0.053 0.000 1.046 184 T CA 1.560 63.630 62.100 -0.050 0.000 1.139 184 T CB -0.315 68.541 68.868 -0.019 0.000 0.871 184 T HN 0.540 nan 8.240 nan 0.000 0.454 185 K N 0.227 120.668 120.400 0.067 0.000 2.097 185 K HA 0.098 4.418 4.320 0.000 0.000 0.205 185 K C 2.493 179.172 176.600 0.131 0.000 1.050 185 K CA 1.089 57.508 56.287 0.220 0.000 0.938 185 K CB -0.218 32.406 32.500 0.206 0.000 0.718 185 K HN 0.261 nan 8.250 nan 0.000 0.442 186 M N 0.565 120.071 119.600 -0.156 0.000 2.132 186 M HA -0.062 4.418 4.480 0.000 0.000 0.263 186 M C 2.459 178.627 176.300 -0.220 0.000 1.065 186 M CA 1.332 56.454 55.300 -0.297 0.000 1.122 186 M CB -1.048 31.269 32.600 -0.473 0.000 1.365 186 M HN 0.143 nan 8.290 nan 0.000 0.411 187 A N -0.478 122.176 122.820 -0.276 0.000 1.908 187 A HA -0.220 4.100 4.320 0.000 0.000 0.218 187 A C 2.015 179.456 177.584 -0.238 0.000 1.181 187 A CA 1.585 53.329 52.037 -0.488 0.000 0.627 187 A CB -1.174 17.134 19.000 -1.154 0.000 0.818 187 A HN 0.680 nan 8.150 nan 0.000 0.445 188 W N 0.859 122.066 121.300 -0.155 0.000 2.355 188 W HA -0.129 4.531 4.660 0.000 0.000 0.309 188 W C 2.295 178.745 176.519 -0.115 0.000 1.206 188 W CA 1.570 58.890 57.345 -0.041 0.000 1.284 188 W CB -0.824 28.614 29.460 -0.038 0.000 1.145 188 W HN 0.350 nan 8.180 nan 0.000 0.502 189 R N 0.244 120.710 120.500 -0.058 0.000 2.139 189 R HA -0.188 4.152 4.340 0.000 0.000 0.243 189 R C 1.244 177.427 176.300 -0.195 0.000 1.145 189 R CA 1.745 57.654 56.100 -0.319 0.000 0.976 189 R CB -0.436 29.512 30.300 -0.587 0.000 0.866 189 R HN 0.130 nan 8.270 nan 0.000 0.449 190 N N -0.170 118.451 118.700 -0.132 0.000 2.270 190 N HA 0.062 4.802 4.740 0.000 0.000 0.198 190 N C -0.707 174.767 175.510 -0.061 0.000 1.117 190 N CA 0.327 53.335 53.050 -0.070 0.000 0.845 190 N CB 1.036 39.533 38.487 0.016 0.000 0.980 190 N HN 0.114 nan 8.380 nan 0.000 0.486 191 A N 1.889 124.648 122.820 -0.102 0.000 2.410 191 A HA 0.316 4.636 4.320 0.000 0.000 0.292 191 A C -1.301 176.231 177.584 -0.086 0.000 1.232 191 A CA -1.013 50.913 52.037 -0.184 0.000 0.893 191 A CB 0.475 19.411 19.000 -0.107 0.000 1.131 191 A HN -0.031 nan 8.150 nan 0.000 0.530 192 P HA -0.112 nan 4.420 nan 0.000 0.220 192 P C 1.031 178.284 177.300 -0.078 0.000 1.148 192 P CA 1.105 64.165 63.100 -0.066 0.000 0.803 192 P CB 0.169 31.827 31.700 -0.071 0.000 0.782 193 R N -1.989 118.424 120.500 -0.145 0.000 2.317 193 R HA 0.154 4.495 4.340 0.000 0.000 0.208 193 R C 0.205 176.514 176.300 0.015 0.000 0.914 193 R CA -0.143 55.897 56.100 -0.100 0.000 1.060 193 R CB -0.443 29.591 30.300 -0.442 0.000 1.015 193 R HN 0.190 nan 8.270 nan 0.000 0.498 194 C N 0.643 119.935 119.300 -0.012 0.000 2.285 194 C HA 0.334 4.794 4.460 0.000 0.000 0.335 194 C C 1.661 176.648 174.990 -0.006 0.000 1.267 194 C CA -0.796 58.248 59.018 0.044 0.000 1.762 194 C CB -0.395 27.428 27.740 0.138 0.000 2.365 194 C HN 0.556 nan 8.230 nan 0.000 0.527 195 I N 4.183 124.726 120.570 -0.044 0.000 3.419 195 I HA 0.201 4.371 4.170 0.000 0.000 0.286 195 I C 1.854 178.046 176.117 0.126 0.000 1.268 195 I CA 0.985 62.219 61.300 -0.110 0.000 1.414 195 I CB 0.130 38.049 38.000 -0.136 0.000 1.074 195 I HN 0.919 nan 8.210 nan 0.000 0.457 196 G N -0.006 108.871 108.800 0.129 0.000 3.284 196 G HA2 0.017 3.977 3.960 0.000 0.000 0.236 196 G HA3 0.017 3.977 3.960 0.000 0.000 0.236 196 G C 1.270 176.212 174.900 0.072 0.000 1.158 196 G CA -0.353 44.822 45.100 0.127 0.000 0.774 196 G HN 0.239 nan 8.290 nan 0.000 0.545 197 R N -0.156 120.327 120.500 -0.029 0.000 2.397 197 R HA 0.054 4.395 4.340 0.000 0.000 0.213 197 R C 1.887 177.656 176.300 -0.886 0.000 1.102 197 R CA 0.265 56.052 56.100 -0.523 0.000 1.040 197 R CB -0.193 29.870 30.300 -0.395 0.000 0.844 197 R HN 0.458 nan 8.270 nan 0.000 0.478 198 I N 0.518 120.754 120.570 -0.556 0.000 2.830 198 I HA -0.186 3.984 4.170 0.000 0.000 0.263 198 I C 1.313 177.312 176.117 -0.196 0.000 1.230 198 I CA 0.992 62.099 61.300 -0.322 0.000 1.480 198 I CB 0.200 38.184 38.000 -0.027 0.000 1.095 198 I HN 0.154 nan 8.210 nan 0.000 0.455 199 Q N 0.591 120.210 119.800 -0.302 0.000 2.360 199 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 199 Q C 1.605 177.128 176.000 -0.795 0.000 0.915 199 Q CA 0.283 55.905 55.803 -0.302 0.000 0.943 199 Q CB -0.170 28.564 28.738 -0.007 0.000 1.064 199 Q HN 0.765 nan 8.270 nan 0.000 0.511 200 W N 1.308 121.781 121.300 -1.378 0.000 2.292 200 W HA -0.267 4.393 4.660 0.000 0.000 0.304 200 W C 1.214 177.369 176.519 -0.607 0.000 1.228 200 W CA 1.699 58.070 57.345 -1.623 0.000 1.241 200 W CB -1.406 27.391 29.460 -1.105 0.000 1.142 200 W HN 0.165 nan 8.180 nan 0.000 0.520 201 S N 0.014 114.834 115.700 -1.467 0.000 2.562 201 S HA -0.027 4.443 4.470 0.000 0.000 0.221 201 S C 0.770 175.088 174.600 -0.469 0.000 0.975 201 S CA 0.256 57.759 58.200 -1.161 0.000 0.918 201 S CB -0.600 61.742 63.200 -1.431 0.000 0.772 201 S HN 0.228 nan 8.310 nan 0.000 0.531 202 N N 1.472 120.001 118.700 -0.286 0.000 2.801 202 N HA 0.431 5.171 4.740 0.000 0.000 0.235 202 N C -1.516 174.063 175.510 0.115 0.000 1.069 202 N CA -0.290 52.725 53.050 -0.058 0.000 0.946 202 N CB 0.651 39.137 38.487 -0.001 0.000 1.212 202 N HN 0.363 nan 8.380 nan 0.000 0.509 203 L N 2.358 123.616 121.223 0.058 0.000 2.464 203 L HA 0.389 4.729 4.340 0.000 0.000 0.266 203 L C -0.879 175.937 176.870 -0.090 0.000 0.965 203 L CA -0.624 54.243 54.840 0.047 0.000 0.833 203 L CB 2.027 44.163 42.059 0.128 0.000 1.296 203 L HN 0.264 nan 8.230 nan 0.000 0.405 204 Q N 3.019 122.711 119.800 -0.180 0.000 2.279 204 Q HA 0.591 4.931 4.340 0.000 0.000 0.256 204 Q C -1.673 173.955 176.000 -0.621 0.000 0.937 204 Q CA -0.142 55.400 55.803 -0.435 0.000 0.933 204 Q CB 1.427 29.800 28.738 -0.607 0.000 1.189 204 Q HN 0.510 nan 8.270 nan 0.000 0.417 205 V N 5.930 125.490 119.914 -0.590 0.000 2.384 205 V HA 0.440 4.560 4.120 0.000 0.000 0.287 205 V C -0.851 174.895 176.094 -0.581 0.000 1.020 205 V CA -0.598 61.402 62.300 -0.501 0.000 0.850 205 V CB 0.726 32.392 31.823 -0.262 0.000 0.987 205 V HN 0.647 nan 8.190 nan 0.000 0.436 206 F N 2.611 122.388 119.950 -0.288 0.000 2.385 206 F HA 0.383 4.910 4.527 0.000 0.000 0.360 206 F C 0.504 176.121 175.800 -0.305 0.000 1.122 206 F CA -1.178 56.650 58.000 -0.285 0.000 1.090 206 F CB 1.069 39.885 39.000 -0.306 0.000 1.150 206 F HN 0.412 nan 8.300 nan 0.000 0.472 207 D N 3.299 123.662 120.400 -0.063 0.000 2.393 207 D HA 0.374 5.014 4.640 0.000 0.000 0.232 207 D C 0.189 176.348 176.300 -0.236 0.000 1.192 207 D CA 0.198 54.107 54.000 -0.151 0.000 0.882 207 D CB 1.030 41.776 40.800 -0.089 0.000 1.038 207 D HN 0.621 nan 8.370 nan 0.000 0.499 208 A N 4.509 127.059 122.820 -0.449 0.000 2.637 208 A HA 0.152 4.472 4.320 0.000 0.000 0.293 208 A C 1.726 179.077 177.584 -0.388 0.000 1.216 208 A CA -0.370 51.265 52.037 -0.670 0.000 0.956 208 A CB 0.078 18.226 19.000 -1.421 0.000 1.174 208 A HN 0.505 nan 8.150 nan 0.000 0.525 209 R N 1.096 121.461 120.500 -0.225 0.000 2.241 209 R HA -0.120 4.221 4.340 0.000 0.000 0.224 209 R C 1.262 177.505 176.300 -0.094 0.000 1.101 209 R CA 1.379 57.410 56.100 -0.116 0.000 0.995 209 R CB -0.017 30.270 30.300 -0.023 0.000 0.870 209 R HN 0.751 nan 8.270 nan 0.000 0.463 210 N N -0.044 118.615 118.700 -0.068 0.000 2.280 210 N HA -0.059 4.681 4.740 0.000 0.000 0.192 210 N C 0.446 175.976 175.510 0.034 0.000 1.109 210 N CA -0.150 52.898 53.050 -0.004 0.000 0.855 210 N CB -0.433 38.068 38.487 0.023 0.000 0.974 210 N HN 0.020 nan 8.380 nan 0.000 0.482 211 C N 0.133 119.431 119.300 -0.003 0.000 2.741 211 C HA 0.246 4.706 4.460 0.000 0.000 0.403 211 C C 1.743 176.857 174.990 0.207 0.000 1.282 211 C CA 0.583 59.676 59.018 0.124 0.000 2.053 211 C CB 0.128 27.959 27.740 0.153 0.000 2.731 211 C HN 0.600 nan 8.230 nan 0.000 0.680 212 S N -0.293 115.608 115.700 0.335 0.000 2.590 212 S HA 0.201 4.671 4.470 0.000 0.000 0.281 212 S C 0.271 175.052 174.600 0.303 0.000 1.068 212 S CA 0.627 59.051 58.200 0.373 0.000 1.193 212 S CB -0.096 63.229 63.200 0.208 0.000 1.040 212 S HN 1.090 nan 8.310 nan 0.000 0.544 213 T N -1.096 113.612 114.554 0.257 0.000 2.930 213 T HA 0.810 5.160 4.350 0.000 0.000 0.290 213 T C 1.222 176.023 174.700 0.168 0.000 1.052 213 T CA 0.017 62.216 62.100 0.164 0.000 1.017 213 T CB 1.387 70.337 68.868 0.136 0.000 1.137 213 T HN 0.127 nan 8.240 nan 0.000 0.511 214 A N 0.766 123.660 122.820 0.124 0.000 1.908 214 A HA -0.096 4.224 4.320 0.000 0.000 0.218 214 A C 2.306 179.911 177.584 0.036 0.000 1.181 214 A CA 2.244 54.350 52.037 0.115 0.000 0.627 214 A CB -1.297 17.872 19.000 0.282 0.000 0.818 214 A HN 0.906 nan 8.150 nan 0.000 0.445 215 Q N 0.330 120.243 119.800 0.187 0.000 2.096 215 Q HA -0.206 4.134 4.340 0.000 0.000 0.204 215 Q C 1.771 177.839 176.000 0.113 0.000 0.982 215 Q CA 2.428 58.339 55.803 0.180 0.000 0.850 215 Q CB -0.456 28.428 28.738 0.244 0.000 0.901 215 Q HN 0.762 nan 8.270 nan 0.000 0.422 216 E N -0.622 119.660 120.200 0.138 0.000 2.150 216 E HA -0.157 4.193 4.350 0.000 0.000 0.193 216 E C 2.050 178.800 176.600 0.250 0.000 0.985 216 E CA 1.085 57.579 56.400 0.156 0.000 0.814 216 E CB -0.149 29.682 29.700 0.218 0.000 0.752 216 E HN 0.454 nan 8.360 nan 0.000 0.466 217 M N 0.046 119.773 119.600 0.211 0.000 2.067 217 M HA -0.153 4.327 4.480 0.000 0.000 0.260 217 M C 2.210 178.580 176.300 0.116 0.000 1.069 217 M CA 1.312 56.722 55.300 0.183 0.000 1.117 217 M CB -0.264 32.264 32.600 -0.121 0.000 1.334 217 M HN 0.117 nan 8.290 nan 0.000 0.407 218 F N 1.516 121.284 119.950 -0.303 0.000 2.091 218 F HA -0.304 4.223 4.527 0.000 0.000 0.299 218 F C 2.292 177.996 175.800 -0.161 0.000 1.103 218 F CA 1.929 59.683 58.000 -0.410 0.000 1.228 218 F CB -0.590 37.868 39.000 -0.904 0.000 0.984 218 F HN 0.220 nan 8.300 nan 0.000 0.477 219 Q N -1.105 118.546 119.800 -0.249 0.000 2.084 219 Q HA -0.232 4.108 4.340 0.000 0.000 0.202 219 Q C 2.198 178.023 176.000 -0.292 0.000 0.978 219 Q CA 1.651 57.251 55.803 -0.340 0.000 0.844 219 Q CB -0.680 27.929 28.738 -0.215 0.000 0.898 219 Q HN 0.536 nan 8.270 nan 0.000 0.426 220 H N 0.605 119.614 119.070 -0.102 0.000 2.352 220 H HA -0.081 4.475 4.556 0.000 0.000 0.299 220 H C 2.176 177.443 175.328 -0.101 0.000 1.097 220 H CA 1.300 57.293 56.048 -0.092 0.000 1.311 220 H CB -0.083 29.716 29.762 0.062 0.000 1.377 220 H HN 0.253 nan 8.280 nan 0.000 0.504 221 I N -0.189 120.439 120.570 0.096 0.000 2.226 221 I HA -0.289 3.881 4.170 0.000 0.000 0.245 221 I C 2.715 178.768 176.117 -0.106 0.000 1.100 221 I CA 0.764 62.080 61.300 0.025 0.000 1.374 221 I CB -0.276 37.735 38.000 0.018 0.000 1.057 221 I HN 0.220 nan 8.210 nan 0.000 0.413 222 C N 0.332 119.466 119.300 -0.276 0.000 2.429 222 C HA -0.154 4.306 4.460 0.000 0.000 0.277 222 C C 2.983 177.876 174.990 -0.162 0.000 1.262 222 C CA 0.745 59.596 59.018 -0.280 0.000 1.733 222 C CB -1.161 26.302 27.740 -0.461 0.000 2.010 222 C HN 0.456 nan 8.230 nan 0.000 0.483 223 R N 0.088 120.469 120.500 -0.199 0.000 2.081 223 R HA -0.173 4.167 4.340 0.000 0.000 0.235 223 R C 2.129 178.329 176.300 -0.167 0.000 1.131 223 R CA 2.017 57.982 56.100 -0.225 0.000 0.960 223 R CB -0.744 29.329 30.300 -0.377 0.000 0.856 223 R HN 0.779 nan 8.270 nan 0.000 0.436 224 H N -0.064 118.844 119.070 -0.269 0.000 2.293 224 H HA -0.077 4.479 4.556 0.000 0.000 0.300 224 H C 2.268 177.657 175.328 0.101 0.000 1.082 224 H CA 2.085 58.096 56.048 -0.061 0.000 1.308 224 H CB -0.064 29.698 29.762 -0.001 0.000 1.375 224 H HN 0.160 nan 8.280 nan 0.000 0.495 225 I N 0.147 120.839 120.570 0.204 0.000 2.118 225 I HA -0.287 3.883 4.170 0.000 0.000 0.241 225 I C 2.503 178.701 176.117 0.134 0.000 1.070 225 I CA 1.018 62.389 61.300 0.117 0.000 1.327 225 I CB -0.256 37.741 38.000 -0.004 0.000 1.034 225 I HN 0.331 nan 8.210 nan 0.000 0.405 226 L N 0.255 121.531 121.223 0.088 0.000 2.012 226 L HA -0.284 4.056 4.340 0.000 0.000 0.210 226 L C 2.507 179.449 176.870 0.121 0.000 1.073 226 L CA 1.955 56.840 54.840 0.074 0.000 0.748 226 L CB -1.004 41.075 42.059 0.033 0.000 0.891 226 L HN 0.280 nan 8.230 nan 0.000 0.431 227 Y N 0.045 120.394 120.300 0.081 0.000 2.145 227 Y HA -0.230 4.320 4.550 0.000 0.000 0.286 227 Y C 2.357 178.350 175.900 0.154 0.000 1.145 227 Y CA 2.153 60.335 58.100 0.137 0.000 1.148 227 Y CB -0.594 38.020 38.460 0.256 0.000 0.981 227 Y HN 0.240 nan 8.280 nan 0.000 0.507 228 A N -0.509 122.484 122.820 0.290 0.000 1.902 228 A HA -0.183 4.137 4.320 0.000 0.000 0.217 228 A C 2.216 179.846 177.584 0.077 0.000 1.181 228 A CA 2.299 54.458 52.037 0.204 0.000 0.623 228 A CB -1.401 17.833 19.000 0.391 0.000 0.818 228 A HN 0.529 nan 8.150 nan 0.000 0.443 229 T N -0.029 114.580 114.554 0.091 0.000 2.788 229 T HA -0.156 4.194 4.350 0.000 0.000 0.268 229 T C 1.197 175.906 174.700 0.013 0.000 1.044 229 T CA 1.383 63.525 62.100 0.070 0.000 1.139 229 T CB -0.465 68.442 68.868 0.066 0.000 0.867 229 T HN 0.653 nan 8.240 nan 0.000 0.454 230 N N 1.360 120.033 118.700 -0.045 0.000 2.701 230 N HA -0.272 4.468 4.740 0.000 0.000 0.250 230 N C 0.058 175.545 175.510 -0.037 0.000 1.046 230 N CA 1.030 54.030 53.050 -0.083 0.000 0.733 230 N CB -1.851 36.546 38.487 -0.150 0.000 0.973 230 N HN 0.499 nan 8.380 nan 0.000 0.541 231 N N -1.980 116.712 118.700 -0.013 0.000 2.725 231 N HA -0.200 4.540 4.740 0.000 0.000 0.249 231 N C 0.952 176.455 175.510 -0.011 0.000 1.103 231 N CA 2.425 55.469 53.050 -0.010 0.000 0.707 231 N CB -1.228 37.249 38.487 -0.016 0.000 1.043 231 N HN 1.199 nan 8.380 nan 0.000 0.553 232 G N -0.823 107.979 108.800 0.004 0.000 2.313 232 G HA2 -0.320 3.640 3.960 0.000 0.000 0.215 232 G HA3 -0.320 3.640 3.960 0.000 0.000 0.215 232 G C 0.069 174.976 174.900 0.012 0.000 1.023 232 G CA 0.165 45.270 45.100 0.009 0.000 0.626 232 G HN 0.728 nan 8.290 nan 0.000 0.503 233 N N 2.319 121.011 118.700 -0.014 0.000 3.124 233 N HA 0.338 5.078 4.740 0.000 0.000 0.284 233 N C 0.864 176.368 175.510 -0.010 0.000 1.209 233 N CA -0.540 52.488 53.050 -0.036 0.000 1.149 233 N CB -0.471 37.985 38.487 -0.052 0.000 1.434 233 N HN 0.351 nan 8.380 nan 0.000 0.529 234 I N 1.499 122.102 120.570 0.055 0.000 2.919 234 I HA -0.116 4.054 4.170 0.000 0.000 0.303 234 I C 0.808 177.063 176.117 0.231 0.000 1.221 234 I CA 0.863 62.263 61.300 0.167 0.000 1.444 234 I CB -0.262 37.932 38.000 0.324 0.000 1.331 234 I HN 0.362 nan 8.210 nan 0.000 0.572 235 R N 3.719 124.329 120.500 0.184 0.000 2.561 235 R HA 0.395 4.735 4.340 0.000 0.000 0.297 235 R C -0.512 175.923 176.300 0.226 0.000 0.969 235 R CA -0.659 55.556 56.100 0.191 0.000 0.879 235 R CB 1.959 32.219 30.300 -0.068 0.000 1.178 235 R HN 0.568 nan 8.270 nan 0.000 0.445 236 S N 1.424 117.236 115.700 0.187 0.000 2.549 236 S HA 0.558 5.029 4.470 0.000 0.000 0.279 236 S C -0.293 174.333 174.600 0.044 0.000 1.321 236 S CA -0.299 57.914 58.200 0.022 0.000 1.054 236 S CB 1.348 64.468 63.200 -0.134 0.000 0.899 236 S HN 0.712 nan 8.310 nan 0.000 0.497 237 A N 2.510 125.320 122.820 -0.017 0.000 2.601 237 A HA 0.805 5.125 4.320 0.000 0.000 0.291 237 A C -1.398 176.097 177.584 -0.148 0.000 1.075 237 A CA -0.648 51.281 52.037 -0.179 0.000 0.671 237 A CB 1.109 19.959 19.000 -0.249 0.000 1.277 237 A HN 0.789 nan 8.150 nan 0.000 0.417 238 I N 0.282 120.709 120.570 -0.237 0.000 2.722 238 I HA 0.637 4.807 4.170 0.000 0.000 0.295 238 I C -1.168 174.922 176.117 -0.044 0.000 1.161 238 I CA -0.216 61.084 61.300 0.000 0.000 1.032 238 I CB 2.466 40.456 38.000 -0.017 0.000 1.244 238 I HN 0.598 nan 8.210 nan 0.000 0.421 239 T N 6.182 120.800 114.554 0.107 0.000 2.809 239 T HA 0.383 4.733 4.350 0.000 0.000 0.296 239 T C -0.634 173.899 174.700 -0.277 0.000 1.015 239 T CA -0.304 61.758 62.100 -0.064 0.000 0.954 239 T CB 1.207 70.074 68.868 -0.003 0.000 0.950 239 T HN 0.252 nan 8.240 nan 0.000 0.450 240 V N 5.507 125.207 119.914 -0.357 0.000 2.385 240 V HA 0.423 4.543 4.120 0.000 0.000 0.269 240 V C -0.116 175.710 176.094 -0.446 0.000 1.043 240 V CA -0.559 61.540 62.300 -0.335 0.000 0.906 240 V CB -0.274 31.323 31.823 -0.377 0.000 0.995 240 V HN 0.728 nan 8.190 nan 0.000 0.467 241 F N 5.263 125.164 119.950 -0.081 0.000 2.364 241 F HA 0.466 4.993 4.527 0.000 0.000 0.316 241 F C -1.770 173.947 175.800 -0.138 0.000 1.133 241 F CA -2.375 55.494 58.000 -0.219 0.000 1.051 241 F CB 0.421 39.272 39.000 -0.249 0.000 1.342 241 F HN 0.300 nan 8.300 nan 0.000 0.507 242 P HA -0.037 nan 4.420 nan 0.000 0.262 242 P C -1.237 176.087 177.300 0.041 0.000 1.182 242 P CA 0.006 63.031 63.100 -0.126 0.000 0.761 242 P CB 0.166 31.656 31.700 -0.350 0.000 0.795 243 Q N 3.261 123.008 119.800 -0.089 0.000 2.421 243 Q HA 0.129 4.469 4.340 0.000 0.000 0.255 243 Q C 0.155 176.027 176.000 -0.213 0.000 1.013 243 Q CA -0.629 54.862 55.803 -0.520 0.000 0.895 243 Q CB 0.794 28.919 28.738 -1.022 0.000 1.271 243 Q HN 0.336 nan 8.270 nan 0.000 0.460 244 R N 1.389 121.767 120.500 -0.203 0.000 2.538 244 R HA -0.028 4.312 4.340 0.000 0.000 0.282 244 R C 0.193 176.457 176.300 -0.060 0.000 1.009 244 R CA 0.806 56.869 56.100 -0.061 0.000 1.063 244 R CB 0.515 30.776 30.300 -0.065 0.000 0.945 244 R HN 0.968 nan 8.270 nan 0.000 0.414 245 S N 2.510 118.222 115.700 0.020 0.000 2.612 245 S HA -0.062 4.408 4.470 0.000 0.000 0.193 245 S C 0.941 175.555 174.600 0.022 0.000 0.898 245 S CA 0.383 58.604 58.200 0.035 0.000 0.872 245 S CB -0.028 63.239 63.200 0.112 0.000 0.843 245 S HN 0.843 nan 8.310 nan 0.000 0.611 246 D N 0.050 120.466 120.400 0.027 0.000 2.398 246 D HA 0.259 4.899 4.640 0.000 0.000 0.210 246 D C 1.390 177.651 176.300 -0.065 0.000 1.094 246 D CA 0.766 54.756 54.000 -0.017 0.000 0.839 246 D CB 0.049 40.837 40.800 -0.020 0.000 0.963 246 D HN 0.806 nan 8.370 nan 0.000 0.506 247 G N 1.343 110.105 108.800 -0.062 0.000 2.176 247 G HA2 -0.343 3.617 3.960 0.000 0.000 0.253 247 G HA3 -0.343 3.617 3.960 0.000 0.000 0.253 247 G C 1.022 175.847 174.900 -0.126 0.000 0.979 247 G CA 0.486 45.543 45.100 -0.072 0.000 0.641 247 G HN 0.454 nan 8.290 nan 0.000 0.530 248 K N -0.071 120.173 120.400 -0.261 0.000 2.353 248 K HA 0.183 4.503 4.320 0.000 0.000 0.195 248 K C 0.234 176.540 176.600 -0.490 0.000 1.031 248 K CA 0.131 56.181 56.287 -0.395 0.000 1.079 248 K CB 0.310 32.507 32.500 -0.506 0.000 0.857 248 K HN 0.511 nan 8.250 nan 0.000 0.535 249 H N 1.011 120.083 119.070 0.003 0.000 2.471 249 H HA 0.238 4.794 4.556 0.000 0.000 0.234 249 H C -1.043 174.288 175.328 0.005 0.000 1.388 249 H CA -0.761 55.279 56.048 -0.014 0.000 1.198 249 H CB 0.037 29.808 29.762 0.014 0.000 1.714 249 H HN -0.014 nan 8.280 nan 0.000 0.536 250 D N 0.830 121.266 120.400 0.059 0.000 2.264 250 D HA 0.137 4.777 4.640 0.000 0.000 0.250 250 D C 0.089 176.412 176.300 0.039 0.000 1.113 250 D CA -0.095 53.962 54.000 0.095 0.000 0.871 250 D CB 0.823 41.660 40.800 0.061 0.000 1.167 250 D HN 0.082 nan 8.370 nan 0.000 0.447 251 F N 2.744 122.727 119.950 0.054 0.000 2.420 251 F HA 0.370 4.897 4.527 0.000 0.000 0.352 251 F C 0.988 176.796 175.800 0.014 0.000 1.108 251 F CA -0.133 57.868 58.000 0.003 0.000 1.162 251 F CB 0.724 39.710 39.000 -0.023 0.000 1.118 251 F HN -0.125 nan 8.300 nan 0.000 0.510 252 R N 3.582 124.165 120.500 0.139 0.000 2.626 252 R HA 0.493 4.833 4.340 0.000 0.000 0.274 252 R C -1.827 174.607 176.300 0.223 0.000 1.031 252 R CA -1.125 55.073 56.100 0.163 0.000 0.898 252 R CB 2.116 32.506 30.300 0.150 0.000 1.222 252 R HN 0.454 nan 8.270 nan 0.000 0.455 253 L N 1.703 123.039 121.223 0.189 0.000 2.272 253 L HA 0.377 4.717 4.340 0.000 0.000 0.289 253 L C 0.641 177.717 176.870 0.344 0.000 1.032 253 L CA -0.113 54.857 54.840 0.217 0.000 0.810 253 L CB 0.821 42.936 42.059 0.092 0.000 1.205 253 L HN 0.587 nan 8.230 nan 0.000 0.422 254 W N 0.655 122.027 121.300 0.120 0.000 2.800 254 W HA 0.059 4.719 4.660 0.000 0.000 0.249 254 W C 0.519 177.195 176.519 0.263 0.000 1.294 254 W CA -0.425 57.087 57.345 0.278 0.000 1.402 254 W CB -0.813 28.898 29.460 0.417 0.000 1.126 254 W HN 0.486 nan 8.180 nan 0.000 0.652 255 N N -0.589 118.264 118.700 0.255 0.000 2.525 255 N HA 0.068 4.808 4.740 0.000 0.000 0.271 255 N C 1.055 176.455 175.510 -0.183 0.000 1.194 255 N CA 0.276 53.212 53.050 -0.190 0.000 0.964 255 N CB 0.935 39.356 38.487 -0.110 0.000 1.126 255 N HN -0.297 nan 8.380 nan 0.000 0.452 256 S N 0.303 115.827 115.700 -0.293 0.000 2.377 256 S HA -0.030 4.440 4.470 0.000 0.000 0.223 256 S C 0.211 174.708 174.600 -0.171 0.000 1.030 256 S CA 1.084 59.181 58.200 -0.171 0.000 0.970 256 S CB 0.011 63.128 63.200 -0.139 0.000 0.830 256 S HN 0.568 nan 8.310 nan 0.000 0.473 257 Q N -0.786 118.894 119.800 -0.200 0.000 2.433 257 Q HA 0.530 4.870 4.340 0.000 0.000 0.279 257 Q C 0.671 176.536 176.000 -0.224 0.000 1.105 257 Q CA -0.392 55.291 55.803 -0.201 0.000 0.815 257 Q CB 1.210 29.859 28.738 -0.148 0.000 1.403 257 Q HN 0.014 nan 8.270 nan 0.000 0.435 258 L N 0.236 121.318 121.223 -0.234 0.000 2.017 258 L HA 0.028 4.368 4.340 0.000 0.000 0.208 258 L C 0.366 177.080 176.870 -0.261 0.000 1.073 258 L CA 1.053 55.764 54.840 -0.215 0.000 0.745 258 L CB 0.027 41.946 42.059 -0.233 0.000 0.894 258 L HN 0.522 nan 8.230 nan 0.000 0.432 259 I N 0.124 120.460 120.570 -0.389 0.000 2.354 259 I HA 0.422 4.592 4.170 0.000 0.000 0.292 259 I C -0.286 175.212 176.117 -1.031 0.000 0.989 259 I CA -0.250 60.645 61.300 -0.675 0.000 1.188 259 I CB 1.341 38.852 38.000 -0.814 0.000 1.342 259 I HN 0.113 nan 8.210 nan 0.000 0.457 260 R N 4.852 124.851 120.500 -0.834 0.000 2.634 260 R HA 0.480 4.820 4.340 0.000 0.000 0.263 260 R C -1.925 174.143 176.300 -0.387 0.000 1.060 260 R CA -0.648 55.080 56.100 -0.620 0.000 0.898 260 R CB 1.159 31.295 30.300 -0.274 0.000 1.253 260 R HN 0.279 nan 8.270 nan 0.000 0.461 261 Y N 1.253 121.547 120.300 -0.010 0.000 2.335 261 Y HA 0.678 5.228 4.550 0.000 0.000 0.323 261 Y C 0.885 176.804 175.900 0.031 0.000 1.224 261 Y CA -0.307 57.833 58.100 0.066 0.000 1.241 261 Y CB 1.373 39.967 38.460 0.224 0.000 1.235 261 Y HN 0.742 nan 8.280 nan 0.000 0.492 262 A N 1.009 123.922 122.820 0.154 0.000 2.287 262 A HA 0.708 5.028 4.320 0.000 0.000 0.273 262 A C 0.352 177.778 177.584 -0.264 0.000 1.091 262 A CA 0.094 52.057 52.037 -0.123 0.000 0.817 262 A CB -0.032 18.826 19.000 -0.237 0.000 1.069 262 A HN 0.900 nan 8.150 nan 0.000 0.492 263 G N -0.430 108.125 108.800 -0.407 0.000 2.609 263 G HA2 0.577 4.537 3.960 0.000 0.000 0.308 263 G HA3 0.577 4.537 3.960 0.000 0.000 0.308 263 G C -1.347 173.289 174.900 -0.440 0.000 1.369 263 G CA -0.252 44.653 45.100 -0.325 0.000 0.958 263 G HN 0.516 nan 8.290 nan 0.000 0.499 264 Y N 0.409 120.725 120.300 0.027 0.000 2.393 264 Y HA 0.432 4.982 4.550 0.000 0.000 0.341 264 Y C 0.357 176.297 175.900 0.066 0.000 0.988 264 Y CA -1.046 57.088 58.100 0.056 0.000 1.078 264 Y CB 2.672 41.190 38.460 0.097 0.000 1.203 264 Y HN 0.484 nan 8.280 nan 0.000 0.453 265 Q N 3.683 123.621 119.800 0.230 0.000 2.490 265 Q HA 0.275 4.615 4.340 0.000 0.000 0.226 265 Q C -0.812 175.283 176.000 0.159 0.000 1.132 265 Q CA -0.361 55.529 55.803 0.145 0.000 0.928 265 Q CB 0.192 28.991 28.738 0.102 0.000 1.299 265 Q HN 0.503 nan 8.270 nan 0.000 0.528 266 M N 4.134 123.816 119.600 0.137 0.000 2.219 266 M HA 0.100 4.580 4.480 0.000 0.000 0.307 266 M C -1.473 174.848 176.300 0.035 0.000 1.116 266 M CA -2.030 53.322 55.300 0.086 0.000 1.181 266 M CB -0.622 32.011 32.600 0.056 0.000 1.410 266 M HN 0.372 nan 8.290 nan 0.000 0.454 267 P HA -0.150 nan 4.420 nan 0.000 0.215 267 P C 0.366 177.659 177.300 -0.012 0.000 1.157 267 P CA 1.379 64.466 63.100 -0.022 0.000 0.863 267 P CB -0.087 31.578 31.700 -0.058 0.000 0.787 268 D N -1.760 118.632 120.400 -0.013 0.000 2.392 268 D HA 0.029 4.669 4.640 0.000 0.000 0.228 268 D C 1.372 177.674 176.300 0.003 0.000 1.003 268 D CA 0.960 54.955 54.000 -0.008 0.000 0.917 268 D CB -1.157 39.637 40.800 -0.011 0.000 0.890 268 D HN 0.262 nan 8.370 nan 0.000 0.532 269 G N -0.388 108.419 108.800 0.011 0.000 2.176 269 G HA2 -0.294 3.666 3.960 0.000 0.000 0.253 269 G HA3 -0.294 3.666 3.960 0.000 0.000 0.253 269 G C 0.548 175.462 174.900 0.024 0.000 0.979 269 G CA 0.585 45.696 45.100 0.018 0.000 0.641 269 G HN 0.836 nan 8.290 nan 0.000 0.530 270 T N -0.592 113.976 114.554 0.024 0.000 2.874 270 T HA 0.709 5.059 4.350 0.000 0.000 0.281 270 T C 0.419 175.144 174.700 0.042 0.000 0.994 270 T CA -0.771 61.345 62.100 0.026 0.000 1.015 270 T CB 1.875 70.754 68.868 0.019 0.000 1.028 270 T HN 0.327 nan 8.240 nan 0.000 0.523 271 I N 1.604 122.193 120.570 0.032 0.000 2.385 271 I HA 0.466 4.636 4.170 0.000 0.000 0.294 271 I C 0.492 176.626 176.117 0.029 0.000 0.988 271 I CA -0.613 60.708 61.300 0.035 0.000 1.265 271 I CB 1.455 39.456 38.000 0.001 0.000 1.388 271 I HN 0.805 nan 8.210 nan 0.000 0.480 272 R N 3.349 123.896 120.500 0.078 0.000 2.534 272 R HA 0.624 4.964 4.340 0.000 0.000 0.301 272 R C 0.139 176.466 176.300 0.045 0.000 0.961 272 R CA 0.195 56.341 56.100 0.076 0.000 0.871 272 R CB 1.704 32.105 30.300 0.168 0.000 1.170 272 R HN 0.909 nan 8.270 nan 0.000 0.446 273 G N 2.725 111.458 108.800 -0.113 0.000 2.484 273 G HA2 -0.259 3.701 3.960 0.000 0.000 0.225 273 G HA3 -0.259 3.701 3.960 0.000 0.000 0.225 273 G C -1.117 173.502 174.900 -0.467 0.000 1.250 273 G CA -0.017 44.970 45.100 -0.189 0.000 0.926 273 G HN 0.644 nan 8.290 nan 0.000 0.581 274 D N 1.914 122.194 120.400 -0.200 0.000 2.422 274 D HA 0.552 5.192 4.640 0.000 0.000 0.227 274 D C 1.665 177.911 176.300 -0.089 0.000 1.190 274 D CA 0.882 54.795 54.000 -0.144 0.000 0.905 274 D CB 0.558 41.547 40.800 0.315 0.000 1.034 274 D HN 0.948 nan 8.370 nan 0.000 0.507 275 A N 3.725 126.458 122.820 -0.145 0.000 2.042 275 A HA -0.219 4.101 4.320 0.000 0.000 0.222 275 A C 2.053 179.637 177.584 -0.000 0.000 1.167 275 A CA 2.022 54.024 52.037 -0.058 0.000 0.649 275 A CB -0.247 18.724 19.000 -0.048 0.000 0.809 275 A HN 0.598 nan 8.150 nan 0.000 0.457 276 A N -0.789 122.054 122.820 0.038 0.000 2.066 276 A HA 0.072 4.392 4.320 0.000 0.000 0.218 276 A C 2.024 179.644 177.584 0.060 0.000 1.157 276 A CA 1.843 53.918 52.037 0.064 0.000 0.670 276 A CB -0.785 18.276 19.000 0.101 0.000 0.804 276 A HN 0.831 nan 8.150 nan 0.000 0.453 277 T N -2.705 111.881 114.554 0.053 0.000 3.186 277 T HA 0.368 4.718 4.350 0.000 0.000 0.257 277 T C 1.373 176.085 174.700 0.020 0.000 1.029 277 T CA -0.015 62.118 62.100 0.054 0.000 0.916 277 T CB -0.400 68.507 68.868 0.065 0.000 1.041 277 T HN 0.233 nan 8.240 nan 0.000 0.562 278 L N 0.790 122.010 121.223 -0.005 0.000 1.978 278 L HA -0.177 4.163 4.340 0.000 0.000 0.218 278 L C 2.891 179.746 176.870 -0.026 0.000 1.075 278 L CA 2.041 56.865 54.840 -0.027 0.000 0.767 278 L CB -0.506 41.549 42.059 -0.007 0.000 0.890 278 L HN 0.381 nan 8.230 nan 0.000 0.434 279 E N -0.642 119.549 120.200 -0.015 0.000 2.023 279 E HA -0.279 4.071 4.350 0.000 0.000 0.196 279 E C 2.033 178.570 176.600 -0.105 0.000 1.003 279 E CA 1.667 58.032 56.400 -0.058 0.000 0.809 279 E CB -0.296 29.367 29.700 -0.062 0.000 0.755 279 E HN 0.344 nan 8.360 nan 0.000 0.449 280 F N 1.693 121.502 119.950 -0.235 0.000 2.202 280 F HA -0.223 4.304 4.527 0.000 0.000 0.301 280 F C 2.291 177.972 175.800 -0.198 0.000 1.082 280 F CA 1.539 59.375 58.000 -0.273 0.000 1.313 280 F CB -0.257 38.613 39.000 -0.218 0.000 1.024 280 F HN -0.079 nan 8.300 nan 0.000 0.495 281 T N -0.403 114.098 114.554 -0.089 0.000 2.746 281 T HA -0.252 4.098 4.350 0.000 0.000 0.267 281 T C 1.757 176.377 174.700 -0.134 0.000 1.039 281 T CA 1.573 63.576 62.100 -0.162 0.000 1.142 281 T CB -0.322 68.442 68.868 -0.174 0.000 0.866 281 T HN 0.227 nan 8.240 nan 0.000 0.444 282 Q N 0.785 120.521 119.800 -0.108 0.000 2.096 282 Q HA -0.076 4.264 4.340 0.000 0.000 0.204 282 Q C 2.118 178.042 176.000 -0.126 0.000 0.982 282 Q CA 1.244 57.005 55.803 -0.069 0.000 0.850 282 Q CB -0.813 27.890 28.738 -0.058 0.000 0.901 282 Q HN 0.423 nan 8.270 nan 0.000 0.422 283 L N -0.268 120.806 121.223 -0.247 0.000 2.012 283 L HA -0.204 4.136 4.340 0.000 0.000 0.210 283 L C 2.211 178.918 176.870 -0.271 0.000 1.073 283 L CA 1.996 56.666 54.840 -0.282 0.000 0.748 283 L CB -1.196 40.605 42.059 -0.430 0.000 0.891 283 L HN 0.403 nan 8.230 nan 0.000 0.431 284 C N -0.319 118.743 119.300 -0.395 0.000 2.401 284 C HA -0.197 4.263 4.460 0.000 0.000 0.276 284 C C 2.742 177.757 174.990 0.042 0.000 1.233 284 C CA 1.134 59.994 59.018 -0.265 0.000 1.753 284 C CB -1.037 26.439 27.740 -0.441 0.000 2.029 284 C HN 0.616 nan 8.230 nan 0.000 0.478 285 I N 1.009 121.646 120.570 0.111 0.000 2.142 285 I HA -0.198 3.972 4.170 0.000 0.000 0.240 285 I C 2.148 178.275 176.117 0.017 0.000 1.078 285 I CA 1.665 63.040 61.300 0.125 0.000 1.343 285 I CB -0.692 37.368 38.000 0.101 0.000 1.046 285 I HN 0.287 nan 8.210 nan 0.000 0.405 286 D N 0.940 121.318 120.400 -0.035 0.000 2.190 286 D HA -0.162 4.478 4.640 0.000 0.000 0.200 286 D C 1.933 178.182 176.300 -0.085 0.000 0.992 286 D CA 1.318 55.275 54.000 -0.071 0.000 0.854 286 D CB -0.232 40.508 40.800 -0.101 0.000 0.936 286 D HN 0.351 nan 8.370 nan 0.000 0.462 287 L N -1.008 120.168 121.223 -0.078 0.000 2.627 287 L HA 0.236 4.576 4.340 0.000 0.000 0.232 287 L C 1.616 178.453 176.870 -0.054 0.000 1.150 287 L CA 0.336 55.128 54.840 -0.080 0.000 0.917 287 L CB 0.094 42.094 42.059 -0.099 0.000 1.104 287 L HN 0.165 nan 8.230 nan 0.000 0.445 288 G N -1.191 107.595 108.800 -0.023 0.000 2.278 288 G HA2 -0.300 3.660 3.960 0.000 0.000 0.210 288 G HA3 -0.300 3.660 3.960 0.000 0.000 0.210 288 G C -0.013 174.903 174.900 0.026 0.000 1.000 288 G CA -0.335 44.753 45.100 -0.019 0.000 0.635 288 G HN 0.276 nan 8.290 nan 0.000 0.495 289 W N 4.435 125.666 121.300 -0.115 0.000 2.257 289 W HA 0.524 5.184 4.660 0.000 0.000 0.337 289 W C 0.196 176.678 176.519 -0.063 0.000 1.321 289 W CA 0.092 57.381 57.345 -0.093 0.000 1.267 289 W CB 0.627 30.026 29.460 -0.101 0.000 1.187 289 W HN -0.024 nan 8.180 nan 0.000 0.565 290 K N 8.837 128.773 120.400 -0.774 0.000 2.284 290 K HA 0.221 4.541 4.320 0.000 0.000 0.287 290 K C -2.268 173.569 176.600 -1.270 0.000 1.081 290 K CA -1.916 53.931 56.287 -0.732 0.000 0.910 290 K CB 0.282 32.510 32.500 -0.454 0.000 1.088 290 K HN 0.335 nan 8.250 nan 0.000 0.478 291 P HA 0.168 nan 4.420 nan 0.000 0.271 291 P C -0.208 176.656 177.300 -0.727 0.000 1.220 291 P CA -0.132 62.422 63.100 -0.910 0.000 0.768 291 P CB 0.751 32.078 31.700 -0.623 0.000 0.848 292 R N 1.729 121.891 120.500 -0.563 0.000 2.397 292 R HA 0.131 4.471 4.340 0.000 0.000 0.241 292 R C 0.042 176.175 176.300 -0.279 0.000 0.914 292 R CA -0.271 55.667 56.100 -0.269 0.000 1.071 292 R CB -0.419 29.833 30.300 -0.079 0.000 1.116 292 R HN 0.421 nan 8.270 nan 0.000 0.524 293 Y N -0.329 119.470 120.300 -0.834 0.000 3.305 293 Y HA -0.292 4.258 4.550 0.000 0.000 0.214 293 Y C 0.936 176.608 175.900 -0.381 0.000 1.185 293 Y CA 0.539 57.976 58.100 -1.104 0.000 1.326 293 Y CB -1.975 36.098 38.460 -0.644 0.000 1.367 293 Y HN 0.237 nan 8.280 nan 0.000 0.588 294 G N -0.332 108.464 108.800 -0.007 0.000 2.531 294 G HA2 0.472 4.432 3.960 0.000 0.000 0.313 294 G HA3 0.472 4.432 3.960 0.000 0.000 0.313 294 G C 0.588 175.564 174.900 0.127 0.000 1.238 294 G CA -0.572 44.587 45.100 0.098 0.000 0.994 294 G HN 0.328 nan 8.290 nan 0.000 0.493 295 R N -1.289 119.189 120.500 -0.037 0.000 2.210 295 R HA 0.160 4.500 4.340 0.000 0.000 0.203 295 R C -0.109 175.739 176.300 -0.753 0.000 1.010 295 R CA 0.562 56.456 56.100 -0.343 0.000 1.008 295 R CB -0.002 30.017 30.300 -0.468 0.000 0.923 295 R HN 0.364 nan 8.270 nan 0.000 0.469 296 F N 0.975 120.880 119.950 -0.075 0.000 2.566 296 F HA 0.293 4.820 4.527 0.000 0.000 0.347 296 F C -1.126 174.583 175.800 -0.152 0.000 1.515 296 F CA -1.237 56.432 58.000 -0.551 0.000 1.103 296 F CB 0.824 39.382 39.000 -0.738 0.000 1.385 296 F HN -0.260 nan 8.300 nan 0.000 0.560 297 D N 1.571 122.129 120.400 0.263 0.000 2.280 297 D HA 0.231 4.871 4.640 0.000 0.000 0.243 297 D C 0.165 176.744 176.300 0.464 0.000 1.129 297 D CA -0.061 54.176 54.000 0.395 0.000 0.848 297 D CB 2.502 43.591 40.800 0.482 0.000 1.107 297 D HN -0.046 nan 8.370 nan 0.000 0.471 298 V N 3.735 123.888 119.914 0.399 0.000 2.485 298 V HA 0.004 4.124 4.120 0.000 0.000 0.287 298 V C 1.060 177.192 176.094 0.063 0.000 1.022 298 V CA -0.265 62.152 62.300 0.195 0.000 1.067 298 V CB 0.136 32.020 31.823 0.103 0.000 0.967 298 V HN 0.345 nan 8.190 nan 0.000 0.479 299 L N 8.259 129.415 121.223 -0.111 0.000 2.476 299 L HA 0.310 4.650 4.340 0.000 0.000 0.264 299 L C -1.713 174.961 176.870 -0.326 0.000 1.224 299 L CA -1.201 53.413 54.840 -0.376 0.000 0.821 299 L CB 0.562 42.490 42.059 -0.218 0.000 1.101 299 L HN 0.483 nan 8.230 nan 0.000 0.488 300 P HA 0.238 nan 4.420 nan 0.000 0.281 300 P C -1.091 176.165 177.300 -0.073 0.000 1.264 300 P CA -0.630 62.310 63.100 -0.267 0.000 0.824 300 P CB 1.105 32.547 31.700 -0.430 0.000 1.092 301 L N 0.960 122.219 121.223 0.061 0.000 2.380 301 L HA 0.246 4.586 4.340 0.000 0.000 0.273 301 L C 0.227 177.192 176.870 0.159 0.000 1.138 301 L CA -0.616 54.306 54.840 0.137 0.000 0.832 301 L CB 0.864 43.040 42.059 0.194 0.000 1.124 301 L HN 0.101 nan 8.230 nan 0.000 0.454 302 V N 5.719 125.733 119.914 0.168 0.000 2.266 302 V HA 0.327 4.447 4.120 0.000 0.000 0.271 302 V C 0.111 176.222 176.094 0.028 0.000 1.032 302 V CA -0.326 62.011 62.300 0.063 0.000 0.806 302 V CB 0.989 32.870 31.823 0.096 0.000 1.052 302 V HN 0.492 nan 8.190 nan 0.000 0.449 303 L N 3.961 125.218 121.223 0.056 0.000 2.322 303 L HA 0.654 4.994 4.340 0.000 0.000 0.279 303 L C -0.063 176.736 176.870 -0.119 0.000 1.036 303 L CA -0.383 54.458 54.840 0.003 0.000 0.807 303 L CB 1.591 43.649 42.059 -0.001 0.000 1.226 303 L HN 0.560 nan 8.230 nan 0.000 0.433 304 Q N 2.377 122.110 119.800 -0.112 0.000 2.325 304 Q HA 0.731 5.071 4.340 0.000 0.000 0.270 304 Q C -1.594 174.274 176.000 -0.221 0.000 1.020 304 Q CA -0.594 55.108 55.803 -0.168 0.000 0.785 304 Q CB 2.227 30.953 28.738 -0.021 0.000 1.259 304 Q HN 0.802 nan 8.270 nan 0.000 0.452 305 A N 3.359 125.974 122.820 -0.341 0.000 2.374 305 A HA 0.459 4.779 4.320 0.000 0.000 0.317 305 A C -0.289 176.820 177.584 -0.792 0.000 1.094 305 A CA -0.146 51.417 52.037 -0.790 0.000 0.765 305 A CB 1.260 20.010 19.000 -0.417 0.000 1.268 305 A HN 1.024 nan 8.150 nan 0.000 0.438 306 D N 0.834 120.428 120.400 -1.342 0.000 2.733 306 D HA -0.116 4.524 4.640 0.000 0.000 0.232 306 D C 1.189 177.400 176.300 -0.148 0.000 1.161 306 D CA 2.671 56.371 54.000 -0.500 0.000 0.653 306 D CB -1.098 39.548 40.800 -0.258 0.000 1.052 306 D HN 2.172 nan 8.370 nan 0.000 0.424 307 G N -0.852 107.848 108.800 -0.167 0.000 2.180 307 G HA2 -0.388 3.572 3.960 0.000 0.000 0.263 307 G HA3 -0.388 3.572 3.960 0.000 0.000 0.263 307 G C 0.287 175.218 174.900 0.051 0.000 0.989 307 G CA 0.862 45.961 45.100 -0.003 0.000 0.692 307 G HN 0.642 nan 8.290 nan 0.000 0.526 308 Q N 0.325 120.102 119.800 -0.039 0.000 2.256 308 Q HA 0.404 4.744 4.340 0.000 0.000 0.232 308 Q C -0.046 175.910 176.000 -0.075 0.000 0.965 308 Q CA -0.912 54.884 55.803 -0.012 0.000 0.908 308 Q CB 0.854 29.565 28.738 -0.045 0.000 1.209 308 Q HN 0.339 nan 8.270 nan 0.000 0.489 309 D N 2.855 123.220 120.400 -0.059 0.000 2.515 309 D HA -0.010 4.630 4.640 0.000 0.000 0.232 309 D C -2.057 174.009 176.300 -0.390 0.000 1.157 309 D CA -0.309 53.520 54.000 -0.285 0.000 0.871 309 D CB 0.046 40.825 40.800 -0.035 0.000 1.200 309 D HN 0.281 nan 8.370 nan 0.000 0.466 310 P HA 0.122 nan 4.420 nan 0.000 0.275 310 P C -0.673 176.425 177.300 -0.336 0.000 1.227 310 P CA -0.107 62.607 63.100 -0.644 0.000 0.781 310 P CB 1.086 31.967 31.700 -1.365 0.000 0.906 311 E N 1.028 121.109 120.200 -0.199 0.000 2.207 311 E HA 0.399 4.749 4.350 0.000 0.000 0.270 311 E C -0.576 175.861 176.600 -0.271 0.000 0.927 311 E CA -1.245 55.014 56.400 -0.236 0.000 0.799 311 E CB 1.847 31.401 29.700 -0.243 0.000 1.172 311 E HN 0.185 nan 8.360 nan 0.000 0.404 312 V N 3.055 122.708 119.914 -0.434 0.000 2.465 312 V HA 0.355 4.475 4.120 0.000 0.000 0.279 312 V C -0.670 175.079 176.094 -0.576 0.000 1.045 312 V CA -0.356 61.753 62.300 -0.318 0.000 0.938 312 V CB -0.056 31.650 31.823 -0.194 0.000 0.986 312 V HN 0.514 nan 8.190 nan 0.000 0.467 313 F N 1.760 121.559 119.950 -0.252 0.000 2.562 313 F HA 0.430 4.957 4.527 0.000 0.000 0.319 313 F C 0.441 176.089 175.800 -0.254 0.000 1.154 313 F CA -0.710 57.016 58.000 -0.457 0.000 0.931 313 F CB 1.461 39.834 39.000 -1.045 0.000 1.198 313 F HN 0.437 nan 8.300 nan 0.000 0.444 314 E N 3.549 123.773 120.200 0.039 0.000 2.373 314 E HA 0.299 4.649 4.350 0.000 0.000 0.267 314 E C -0.365 176.388 176.600 0.255 0.000 1.032 314 E CA -0.290 56.208 56.400 0.164 0.000 0.889 314 E CB 1.477 31.312 29.700 0.224 0.000 0.984 314 E HN 0.480 nan 8.360 nan 0.000 0.425 315 I N 4.169 124.887 120.570 0.247 0.000 2.441 315 I HA 0.124 4.294 4.170 0.000 0.000 0.287 315 I C -2.064 174.181 176.117 0.215 0.000 1.049 315 I CA -2.146 59.319 61.300 0.274 0.000 1.381 315 I CB 0.520 38.606 38.000 0.144 0.000 1.409 315 I HN 0.158 nan 8.210 nan 0.000 0.523 316 P HA 0.082 nan 4.420 nan 0.000 0.265 316 P C -2.035 175.327 177.300 0.104 0.000 1.222 316 P CA -0.866 62.323 63.100 0.149 0.000 0.767 316 P CB 0.192 31.964 31.700 0.120 0.000 0.801 317 P HA -0.236 nan 4.420 nan 0.000 0.217 317 P C 0.931 178.272 177.300 0.068 0.000 1.148 317 P CA 1.435 64.589 63.100 0.090 0.000 0.834 317 P CB -0.003 31.753 31.700 0.094 0.000 0.783 318 D N -1.054 119.381 120.400 0.059 0.000 2.218 318 D HA -0.097 4.543 4.640 0.000 0.000 0.204 318 D C 1.817 178.139 176.300 0.036 0.000 0.976 318 D CA 0.953 54.978 54.000 0.043 0.000 0.853 318 D CB -0.297 40.525 40.800 0.037 0.000 0.939 318 D HN 0.257 nan 8.370 nan 0.000 0.481 319 L N 0.463 121.708 121.223 0.037 0.000 2.395 319 L HA 0.000 4.340 4.340 0.000 0.000 0.218 319 L C 0.562 177.451 176.870 0.031 0.000 1.130 319 L CA 0.225 55.081 54.840 0.026 0.000 0.826 319 L CB 0.331 42.397 42.059 0.012 0.000 0.941 319 L HN -0.210 nan 8.230 nan 0.000 0.451 320 V N 1.960 121.899 119.914 0.041 0.000 2.320 320 V HA 0.163 4.283 4.120 0.000 0.000 0.265 320 V C 0.026 176.154 176.094 0.056 0.000 1.048 320 V CA -0.539 61.788 62.300 0.045 0.000 0.865 320 V CB 1.328 33.178 31.823 0.046 0.000 1.043 320 V HN 0.030 nan 8.190 nan 0.000 0.474 321 L N 5.805 127.062 121.223 0.058 0.000 2.349 321 L HA 0.558 4.898 4.340 0.000 0.000 0.275 321 L C 0.047 176.949 176.870 0.052 0.000 1.115 321 L CA 0.651 55.516 54.840 0.041 0.000 0.820 321 L CB 0.794 42.872 42.059 0.032 0.000 1.135 321 L HN 0.698 nan 8.230 nan 0.000 0.445 322 E N 3.018 123.224 120.200 0.011 0.000 2.369 322 E HA 0.610 4.960 4.350 0.000 0.000 0.270 322 E C -1.575 174.959 176.600 -0.110 0.000 0.909 322 E CA -1.023 55.375 56.400 -0.004 0.000 0.775 322 E CB 2.487 32.213 29.700 0.042 0.000 1.270 322 E HN 0.377 nan 8.360 nan 0.000 0.445 323 V N 1.572 121.384 119.914 -0.171 0.000 2.487 323 V HA 0.314 4.435 4.120 0.000 0.000 0.298 323 V C -0.086 175.945 176.094 -0.106 0.000 1.028 323 V CA -0.774 61.371 62.300 -0.257 0.000 0.860 323 V CB 1.622 33.059 31.823 -0.645 0.000 0.991 323 V HN 0.854 nan 8.190 nan 0.000 0.427 324 T N 3.352 117.859 114.554 -0.077 0.000 2.889 324 T HA 0.566 4.916 4.350 0.000 0.000 0.291 324 T C -0.167 174.556 174.700 0.038 0.000 0.995 324 T CA -0.816 61.269 62.100 -0.026 0.000 1.092 324 T CB 0.971 69.825 68.868 -0.023 0.000 0.954 324 T HN 0.312 nan 8.240 nan 0.000 0.506 325 M N 2.942 122.611 119.600 0.114 0.000 2.146 325 M HA 0.409 4.889 4.480 0.000 0.000 0.352 325 M C 0.126 176.626 176.300 0.333 0.000 1.343 325 M CA 0.053 55.507 55.300 0.257 0.000 1.115 325 M CB 0.081 32.933 32.600 0.419 0.000 1.657 325 M HN 0.795 nan 8.290 nan 0.000 0.471 326 E N 1.111 121.477 120.200 0.278 0.000 2.317 326 E HA 0.353 4.703 4.350 0.000 0.000 0.270 326 E C -1.084 175.619 176.600 0.171 0.000 0.885 326 E CA -0.684 55.885 56.400 0.282 0.000 0.760 326 E CB 2.602 32.416 29.700 0.190 0.000 1.227 326 E HN 0.514 nan 8.360 nan 0.000 0.434 327 H N 3.770 122.796 119.070 -0.074 0.000 2.458 327 H HA 0.218 4.775 4.556 0.000 0.000 0.330 327 H C -1.826 173.246 175.328 -0.427 0.000 1.111 327 H CA -2.348 53.448 56.048 -0.419 0.000 1.245 327 H CB 1.754 31.120 29.762 -0.660 0.000 1.456 327 H HN 0.351 nan 8.280 nan 0.000 0.488 328 P HA -0.121 nan 4.420 nan 0.000 0.221 328 P C 0.612 177.664 177.300 -0.413 0.000 1.145 328 P CA 1.137 63.649 63.100 -0.980 0.000 0.795 328 P CB 0.740 31.765 31.700 -1.124 0.000 0.775 329 K N -1.570 118.748 120.400 -0.137 0.000 2.485 329 K HA 0.137 4.457 4.320 0.000 0.000 0.200 329 K C 0.809 177.426 176.600 0.028 0.000 1.352 329 K CA 0.249 56.511 56.287 -0.042 0.000 0.953 329 K CB -0.053 32.370 32.500 -0.130 0.000 1.387 329 K HN 0.262 nan 8.250 nan 0.000 0.512 330 Y N 2.963 123.181 120.300 -0.137 0.000 2.613 330 Y HA 0.095 4.645 4.550 0.000 0.000 0.354 330 Y C 1.198 176.783 175.900 -0.525 0.000 1.063 330 Y CA -0.479 57.232 58.100 -0.648 0.000 1.384 330 Y CB 0.337 37.876 38.460 -1.535 0.000 1.199 330 Y HN 0.080 nan 8.280 nan 0.000 0.517 331 E N 3.490 123.651 120.200 -0.065 0.000 2.267 331 E HA -0.208 4.142 4.350 0.000 0.000 0.197 331 E C 1.472 178.116 176.600 0.072 0.000 0.998 331 E CA 1.185 57.603 56.400 0.030 0.000 0.830 331 E CB -0.050 29.704 29.700 0.092 0.000 0.751 331 E HN 0.862 nan 8.360 nan 0.000 0.491 332 W N -0.241 121.159 121.300 0.166 0.000 2.699 332 W HA -0.035 4.625 4.660 0.000 0.000 0.249 332 W C 1.359 177.943 176.519 0.108 0.000 1.280 332 W CA -0.236 57.166 57.345 0.096 0.000 1.345 332 W CB -0.762 28.717 29.460 0.032 0.000 1.128 332 W HN -0.041 nan 8.180 nan 0.000 0.642 333 F N 3.450 123.203 119.950 -0.329 0.000 2.134 333 F HA -0.275 4.252 4.527 0.000 0.000 0.299 333 F C 2.942 178.765 175.800 0.038 0.000 1.097 333 F CA 3.084 60.951 58.000 -0.223 0.000 1.264 333 F CB -0.546 38.243 39.000 -0.350 0.000 1.001 333 F HN 0.018 nan 8.300 nan 0.000 0.479 334 Q N -0.031 119.849 119.800 0.133 0.000 2.226 334 Q HA -0.221 4.119 4.340 0.000 0.000 0.204 334 Q C 1.602 177.620 176.000 0.029 0.000 0.975 334 Q CA 1.921 57.777 55.803 0.088 0.000 0.866 334 Q CB -0.845 27.961 28.738 0.113 0.000 0.915 334 Q HN 0.515 nan 8.270 nan 0.000 0.440 335 E N 0.818 121.059 120.200 0.069 0.000 2.333 335 E HA -0.104 4.246 4.350 0.000 0.000 0.198 335 E C 1.689 178.300 176.600 0.019 0.000 1.007 335 E CA 0.773 57.215 56.400 0.070 0.000 0.845 335 E CB -0.099 29.680 29.700 0.130 0.000 0.766 335 E HN 0.482 nan 8.360 nan 0.000 0.507 336 L N -0.252 120.931 121.223 -0.066 0.000 2.376 336 L HA 0.015 4.355 4.340 0.000 0.000 0.219 336 L C 1.340 178.171 176.870 -0.065 0.000 1.133 336 L CA 0.386 55.148 54.840 -0.129 0.000 0.816 336 L CB -0.496 41.328 42.059 -0.392 0.000 0.933 336 L HN 0.211 nan 8.230 nan 0.000 0.449 337 G N 1.408 110.187 108.800 -0.035 0.000 2.338 337 G HA2 -0.277 3.683 3.960 0.000 0.000 0.296 337 G HA3 -0.277 3.683 3.960 0.000 0.000 0.296 337 G C -0.146 174.789 174.900 0.057 0.000 1.040 337 G CA 0.086 45.205 45.100 0.031 0.000 1.004 337 G HN 0.247 nan 8.290 nan 0.000 0.509 338 L N -0.736 120.453 121.223 -0.057 0.000 2.334 338 L HA 0.880 5.220 4.340 0.000 0.000 0.272 338 L C 0.527 177.279 176.870 -0.197 0.000 1.020 338 L CA -0.910 53.849 54.840 -0.135 0.000 0.812 338 L CB 2.032 43.931 42.059 -0.266 0.000 1.264 338 L HN 0.549 nan 8.230 nan 0.000 0.439 339 K N 0.132 120.288 120.400 -0.406 0.000 2.571 339 K HA 0.534 4.854 4.320 0.000 0.000 0.289 339 K C -2.045 174.581 176.600 0.044 0.000 1.028 339 K CA -1.048 55.121 56.287 -0.196 0.000 0.895 339 K CB 2.339 34.647 32.500 -0.320 0.000 1.534 339 K HN 0.573 nan 8.250 nan 0.000 0.421 340 W N 1.641 122.899 121.300 -0.070 0.000 3.248 340 W HA 0.303 4.963 4.660 0.000 0.000 0.311 340 W C -1.332 175.186 176.519 -0.002 0.000 1.258 340 W CA -0.772 56.565 57.345 -0.015 0.000 1.191 340 W CB 1.482 30.819 29.460 -0.205 0.000 1.389 340 W HN 0.686 nan 8.180 nan 0.000 0.561 341 Y N 1.189 121.325 120.300 -0.273 0.000 2.379 341 Y HA 0.482 5.032 4.550 0.000 0.000 0.337 341 Y C 0.825 176.892 175.900 0.278 0.000 1.238 341 Y CA 0.210 58.274 58.100 -0.061 0.000 1.405 341 Y CB 0.094 38.415 38.460 -0.233 0.000 1.310 341 Y HN 0.338 nan 8.280 nan 0.000 0.569 342 A N 2.206 125.246 122.820 0.367 0.000 2.132 342 A HA 0.155 4.475 4.320 0.000 0.000 0.213 342 A C 0.293 178.218 177.584 0.570 0.000 1.154 342 A CA 0.062 52.380 52.037 0.470 0.000 0.753 342 A CB -0.202 18.921 19.000 0.205 0.000 0.826 342 A HN 0.649 nan 8.150 nan 0.000 0.469 343 L N 1.898 123.405 121.223 0.474 0.000 2.265 343 L HA 0.449 4.789 4.340 0.000 0.000 0.289 343 L C -2.608 174.403 176.870 0.234 0.000 1.033 343 L CA -2.135 52.884 54.840 0.299 0.000 0.814 343 L CB 1.657 43.815 42.059 0.164 0.000 1.203 343 L HN -0.054 nan 8.230 nan 0.000 0.423 344 P HA 0.402 nan 4.420 nan 0.000 0.294 344 P C -1.574 175.608 177.300 -0.196 0.000 1.389 344 P CA -0.365 62.532 63.100 -0.339 0.000 0.875 344 P CB 1.402 32.524 31.700 -0.963 0.000 1.018 345 A N 4.187 126.907 122.820 -0.167 0.000 2.353 345 A HA 0.493 4.813 4.320 0.000 0.000 0.299 345 A C -0.433 176.941 177.584 -0.350 0.000 1.089 345 A CA -0.700 51.184 52.037 -0.256 0.000 0.736 345 A CB 1.337 20.185 19.000 -0.253 0.000 1.195 345 A HN 0.284 nan 8.150 nan 0.000 0.447 346 V N 2.527 122.090 119.914 -0.585 0.000 2.455 346 V HA 0.402 4.522 4.120 0.000 0.000 0.273 346 V C 1.182 176.857 176.094 -0.698 0.000 1.045 346 V CA 0.840 62.739 62.300 -0.668 0.000 0.976 346 V CB 0.920 32.173 31.823 -0.951 0.000 0.993 346 V HN 1.126 nan 8.190 nan 0.000 0.475 347 A N 4.400 126.987 122.820 -0.388 0.000 2.167 347 A HA 0.117 4.437 4.320 0.000 0.000 0.208 347 A C 1.348 178.842 177.584 -0.149 0.000 1.198 347 A CA 0.400 52.282 52.037 -0.259 0.000 0.863 347 A CB -0.058 18.839 19.000 -0.172 0.000 0.904 347 A HN 0.824 nan 8.150 nan 0.000 0.484 348 N N -0.474 118.147 118.700 -0.132 0.000 2.279 348 N HA 0.240 4.980 4.740 0.000 0.000 0.226 348 N C -0.140 175.372 175.510 0.004 0.000 1.126 348 N CA -0.084 52.935 53.050 -0.051 0.000 0.846 348 N CB -0.315 38.136 38.487 -0.059 0.000 1.050 348 N HN 0.363 nan 8.380 nan 0.000 0.502 349 M N 0.442 120.047 119.600 0.008 0.000 2.444 349 M HA 0.353 4.833 4.480 0.000 0.000 0.319 349 M C -0.426 175.993 176.300 0.198 0.000 1.183 349 M CA -0.930 54.441 55.300 0.119 0.000 1.032 349 M CB 2.298 34.977 32.600 0.132 0.000 1.569 349 M HN 0.087 nan 8.290 nan 0.000 0.468 350 L N 2.983 124.355 121.223 0.248 0.000 2.295 350 L HA 0.530 4.870 4.340 0.000 0.000 0.285 350 L C -1.345 175.745 176.870 0.366 0.000 1.035 350 L CA -0.980 54.027 54.840 0.278 0.000 0.806 350 L CB 1.146 43.327 42.059 0.204 0.000 1.214 350 L HN 0.605 nan 8.230 nan 0.000 0.426 351 L N 5.260 126.705 121.223 0.370 0.000 2.257 351 L HA 0.422 4.762 4.340 0.000 0.000 0.290 351 L C -0.355 176.673 176.870 0.264 0.000 1.044 351 L CA 0.282 55.281 54.840 0.265 0.000 0.810 351 L CB 1.012 43.180 42.059 0.182 0.000 1.193 351 L HN 0.622 nan 8.230 nan 0.000 0.425 352 E N 5.061 125.372 120.200 0.185 0.000 2.156 352 E HA 0.490 4.840 4.350 0.000 0.000 0.279 352 E C -1.846 174.781 176.600 0.046 0.000 0.965 352 E CA -0.362 56.130 56.400 0.153 0.000 0.789 352 E CB 1.793 31.636 29.700 0.238 0.000 1.098 352 E HN 0.527 nan 8.360 nan 0.000 0.397 353 V N 3.145 123.056 119.914 -0.005 0.000 2.817 353 V HA 0.479 4.599 4.120 0.000 0.000 0.303 353 V C 0.444 176.411 176.094 -0.212 0.000 1.151 353 V CA 0.392 62.584 62.300 -0.181 0.000 0.929 353 V CB 1.496 33.127 31.823 -0.320 0.000 1.030 353 V HN 0.864 nan 8.190 nan 0.000 0.427 354 G N 4.150 112.834 108.800 -0.193 0.000 2.439 354 G HA2 0.052 4.012 3.960 0.000 0.000 0.305 354 G HA3 0.052 4.012 3.960 0.000 0.000 0.305 354 G C 1.581 176.609 174.900 0.214 0.000 0.966 354 G CA 1.610 46.768 45.100 0.098 0.000 0.890 354 G HN 2.740 nan 8.290 nan 0.000 0.513 355 G N -2.266 106.584 108.800 0.083 0.000 2.213 355 G HA2 -0.215 3.745 3.960 0.000 0.000 0.236 355 G HA3 -0.215 3.745 3.960 0.000 0.000 0.236 355 G C 0.402 175.332 174.900 0.049 0.000 0.991 355 G CA 0.367 45.535 45.100 0.114 0.000 0.629 355 G HN 1.188 nan 8.290 nan 0.000 0.517 356 L N 0.738 121.952 121.223 -0.015 0.000 2.343 356 L HA 0.699 5.039 4.340 0.000 0.000 0.275 356 L C 0.184 176.936 176.870 -0.197 0.000 1.056 356 L CA -0.732 54.005 54.840 -0.171 0.000 0.804 356 L CB 1.420 43.289 42.059 -0.317 0.000 1.203 356 L HN 0.163 nan 8.230 nan 0.000 0.440 357 E N 2.063 122.072 120.200 -0.319 0.000 2.210 357 E HA 0.436 4.786 4.350 0.000 0.000 0.266 357 E C -1.601 174.790 176.600 -0.349 0.000 0.883 357 E CA -0.483 55.804 56.400 -0.190 0.000 0.761 357 E CB 2.112 31.746 29.700 -0.110 0.000 1.156 357 E HN 0.260 nan 8.360 nan 0.000 0.412 358 F N 2.928 122.895 119.950 0.028 0.000 2.359 358 F HA 0.304 4.831 4.527 0.000 0.000 0.369 358 F C -1.860 174.006 175.800 0.109 0.000 1.084 358 F CA -2.239 55.799 58.000 0.064 0.000 1.096 358 F CB 1.465 40.497 39.000 0.053 0.000 1.335 358 F HN 0.343 nan 8.300 nan 0.000 0.457 359 P HA -0.043 nan 4.420 nan 0.000 0.230 359 P C -0.124 177.305 177.300 0.215 0.000 1.158 359 P CA 0.700 63.910 63.100 0.182 0.000 0.769 359 P CB 0.444 32.222 31.700 0.131 0.000 0.807 360 A N 0.086 123.085 122.820 0.299 0.000 2.457 360 A HA 0.547 4.867 4.320 0.000 0.000 0.283 360 A C -0.399 177.438 177.584 0.423 0.000 1.166 360 A CA -0.445 51.788 52.037 0.326 0.000 0.740 360 A CB 0.242 19.424 19.000 0.303 0.000 1.181 360 A HN 0.240 nan 8.150 nan 0.000 0.446 361 C N 1.073 120.555 119.300 0.304 0.000 3.432 361 C HA 0.532 4.993 4.460 0.000 0.000 0.242 361 C C -2.801 172.284 174.990 0.158 0.000 1.152 361 C CA -1.610 57.547 59.018 0.232 0.000 1.242 361 C CB -0.086 27.784 27.740 0.217 0.000 1.802 361 C HN 0.582 nan 8.230 nan 0.000 0.577 362 P HA 0.441 nan 4.420 nan 0.000 0.269 362 P C -0.650 176.656 177.300 0.009 0.000 1.209 362 P CA 0.758 63.801 63.100 -0.094 0.000 0.776 362 P CB 0.775 32.428 31.700 -0.078 0.000 0.876 363 F N -0.225 119.661 119.950 -0.107 0.000 2.662 363 F HA 0.692 5.219 4.527 0.000 0.000 0.312 363 F C -0.989 174.712 175.800 -0.164 0.000 1.113 363 F CA -1.165 56.775 58.000 -0.100 0.000 0.951 363 F CB 1.585 40.377 39.000 -0.347 0.000 1.344 363 F HN 0.404 nan 8.300 nan 0.000 0.462 364 N N -0.287 118.515 118.700 0.169 0.000 2.591 364 N HA 0.670 5.410 4.740 0.000 0.000 0.263 364 N C -1.303 174.136 175.510 -0.118 0.000 1.308 364 N CA -0.355 52.703 53.050 0.013 0.000 0.837 364 N CB 1.850 40.372 38.487 0.059 0.000 1.548 364 N HN 1.104 nan 8.380 nan 0.000 0.493 365 G N -0.692 107.985 108.800 -0.205 0.000 3.291 365 G HA2 0.696 4.656 3.960 0.000 0.000 0.173 365 G HA3 0.696 4.656 3.960 0.000 0.000 0.173 365 G C -1.677 173.127 174.900 -0.161 0.000 1.099 365 G CA -0.666 44.204 45.100 -0.383 0.000 0.794 365 G HN 0.691 nan 8.290 nan 0.000 0.651 366 W N -1.741 119.557 121.300 -0.005 0.000 2.902 366 W HA 0.808 5.468 4.660 0.000 0.000 0.346 366 W C -1.384 175.127 176.519 -0.014 0.000 1.139 366 W CA -2.229 55.129 57.345 0.021 0.000 1.139 366 W CB 0.313 29.822 29.460 0.081 0.000 1.439 366 W HN 0.405 nan 8.180 nan 0.000 0.558 367 Y N 2.268 122.740 120.300 0.286 0.000 2.457 367 Y HA 0.218 4.768 4.550 0.000 0.000 0.341 367 Y C 0.735 176.670 175.900 0.058 0.000 1.240 367 Y CA -0.285 57.858 58.100 0.070 0.000 1.437 367 Y CB 0.918 39.310 38.460 -0.114 0.000 1.328 367 Y HN 0.441 nan 8.280 nan 0.000 0.588 368 M N 2.284 122.014 119.600 0.216 0.000 2.167 368 M HA 0.359 4.839 4.480 0.000 0.000 0.333 368 M C 1.068 177.344 176.300 -0.040 0.000 1.030 368 M CA -0.187 55.170 55.300 0.094 0.000 0.963 368 M CB 1.343 33.986 32.600 0.072 0.000 1.589 368 M HN 0.838 nan 8.290 nan 0.000 0.431 369 G N 1.996 110.729 108.800 -0.111 0.000 2.663 369 G HA2 -0.369 3.591 3.960 0.000 0.000 0.222 369 G HA3 -0.369 3.591 3.960 0.000 0.000 0.222 369 G C 1.091 175.832 174.900 -0.264 0.000 1.146 369 G CA 2.088 47.057 45.100 -0.219 0.000 0.764 369 G HN 0.876 nan 8.290 nan 0.000 0.608 370 T N -0.718 113.689 114.554 -0.246 0.000 2.929 370 T HA -0.031 4.319 4.350 0.000 0.000 0.271 370 T C 1.924 176.442 174.700 -0.304 0.000 1.085 370 T CA 1.623 63.527 62.100 -0.327 0.000 1.125 370 T CB -0.276 68.326 68.868 -0.444 0.000 0.874 370 T HN 0.578 nan 8.240 nan 0.000 0.494 371 E N 1.022 121.068 120.200 -0.257 0.000 2.077 371 E HA -0.059 4.291 4.350 0.000 0.000 0.193 371 E C 2.106 178.421 176.600 -0.476 0.000 0.989 371 E CA 1.384 57.641 56.400 -0.239 0.000 0.800 371 E CB -0.297 29.403 29.700 -0.000 0.000 0.746 371 E HN 0.597 nan 8.360 nan 0.000 0.452 372 I N 0.382 120.520 120.570 -0.720 0.000 2.364 372 I HA -0.041 4.130 4.170 0.000 0.000 0.241 372 I C 2.653 178.187 176.117 -0.972 0.000 1.082 372 I CA 0.863 61.438 61.300 -1.208 0.000 1.401 372 I CB -0.649 36.545 38.000 -1.343 0.000 1.126 372 I HN 0.091 nan 8.210 nan 0.000 0.429 373 G N 0.657 109.145 108.800 -0.521 0.000 2.450 373 G HA2 -0.136 3.824 3.960 0.000 0.000 0.220 373 G HA3 -0.136 3.824 3.960 0.000 0.000 0.220 373 G C 1.531 176.377 174.900 -0.091 0.000 1.130 373 G CA 1.229 46.237 45.100 -0.153 0.000 0.760 373 G HN 0.257 nan 8.290 nan 0.000 0.557 374 V N -0.359 119.431 119.914 -0.207 0.000 2.721 374 V HA 0.131 4.251 4.120 0.000 0.000 0.236 374 V C 2.680 178.691 176.094 -0.138 0.000 1.116 374 V CA 0.568 62.781 62.300 -0.145 0.000 1.148 374 V CB -0.204 31.503 31.823 -0.194 0.000 0.886 374 V HN 0.066 nan 8.190 nan 0.000 0.490 375 R N 0.930 121.306 120.500 -0.207 0.000 2.056 375 R HA -0.050 4.290 4.340 0.000 0.000 0.227 375 R C 1.977 178.193 176.300 -0.141 0.000 1.149 375 R CA 1.642 57.645 56.100 -0.162 0.000 0.937 375 R CB -1.144 29.050 30.300 -0.177 0.000 0.835 375 R HN 0.474 nan 8.270 nan 0.000 0.430 376 D N 0.302 120.502 120.400 -0.333 0.000 2.104 376 D HA -0.141 4.500 4.640 0.000 0.000 0.194 376 D C 1.853 178.128 176.300 -0.042 0.000 0.994 376 D CA 1.207 54.978 54.000 -0.381 0.000 0.830 376 D CB -0.181 39.826 40.800 -1.321 0.000 0.959 376 D HN 0.111 nan 8.370 nan 0.000 0.452 377 F N 0.023 119.885 119.950 -0.147 0.000 2.473 377 F HA 0.058 4.585 4.527 0.000 0.000 0.294 377 F C 2.327 178.177 175.800 0.083 0.000 1.103 377 F CA -0.259 57.753 58.000 0.019 0.000 1.442 377 F CB -0.531 38.461 39.000 -0.013 0.000 1.097 377 F HN 0.034 nan 8.300 nan 0.000 0.547 378 C N -1.268 118.155 119.300 0.204 0.000 3.065 378 C HA 0.201 4.661 4.460 0.000 0.000 0.285 378 C C 0.422 175.465 174.990 0.088 0.000 1.257 378 C CA -0.616 58.483 59.018 0.135 0.000 1.691 378 C CB -0.578 27.208 27.740 0.076 0.000 2.089 378 C HN 0.061 nan 8.230 nan 0.000 0.630 379 D N 1.785 122.229 120.400 0.074 0.000 2.455 379 D HA 0.068 4.708 4.640 0.000 0.000 0.241 379 D C 1.548 177.896 176.300 0.081 0.000 1.138 379 D CA 0.504 54.535 54.000 0.052 0.000 0.877 379 D CB 1.038 41.863 40.800 0.043 0.000 1.187 379 D HN 0.420 nan 8.370 nan 0.000 0.451 380 T N -0.325 114.265 114.554 0.060 0.000 2.915 380 T HA -0.225 4.125 4.350 0.000 0.000 0.269 380 T C 1.255 175.991 174.700 0.060 0.000 1.071 380 T CA 0.706 62.846 62.100 0.066 0.000 1.132 380 T CB 0.003 68.903 68.868 0.054 0.000 0.878 380 T HN 0.437 nan 8.240 nan 0.000 0.479 381 Q N 0.868 120.701 119.800 0.055 0.000 2.222 381 Q HA 0.260 4.600 4.340 0.000 0.000 0.206 381 Q C 0.531 176.565 176.000 0.057 0.000 0.877 381 Q CA -0.253 55.578 55.803 0.047 0.000 0.958 381 Q CB 0.161 28.924 28.738 0.042 0.000 1.075 381 Q HN 0.382 nan 8.270 nan 0.000 0.483 382 R N -0.628 119.923 120.500 0.085 0.000 3.117 382 R HA 0.271 4.611 4.340 0.000 0.000 0.137 382 R C 1.089 177.447 176.300 0.096 0.000 0.996 382 R CA -0.529 55.650 56.100 0.132 0.000 0.604 382 R CB -1.007 29.437 30.300 0.240 0.000 1.038 382 R HN 0.034 nan 8.270 nan 0.000 0.389 383 Y N 1.750 122.192 120.300 0.237 0.000 2.497 383 Y HA -0.089 4.461 4.550 0.000 0.000 0.292 383 Y C 0.702 176.708 175.900 0.177 0.000 1.137 383 Y CA 0.911 59.163 58.100 0.253 0.000 1.285 383 Y CB -0.557 38.164 38.460 0.434 0.000 0.991 383 Y HN 0.530 nan 8.280 nan 0.000 0.556 384 N N 0.965 119.819 118.700 0.258 0.000 2.696 384 N HA -0.237 4.503 4.740 0.000 0.000 0.271 384 N C 0.361 175.975 175.510 0.172 0.000 0.997 384 N CA 0.821 53.977 53.050 0.177 0.000 0.801 384 N CB -1.174 37.382 38.487 0.115 0.000 0.913 384 N HN 0.666 nan 8.380 nan 0.000 0.557 385 I N -2.914 117.774 120.570 0.196 0.000 3.883 385 I HA 0.132 4.303 4.170 0.000 0.000 0.326 385 I C 1.572 177.790 176.117 0.168 0.000 1.283 385 I CA -0.438 60.951 61.300 0.149 0.000 1.161 385 I CB -0.076 37.978 38.000 0.091 0.000 1.012 385 I HN 0.181 nan 8.210 nan 0.000 0.421 386 L N 1.974 123.313 121.223 0.193 0.000 2.013 386 L HA -0.242 4.098 4.340 0.000 0.000 0.212 386 L C 2.553 179.647 176.870 0.374 0.000 1.073 386 L CA 2.277 57.263 54.840 0.243 0.000 0.753 386 L CB -0.771 41.386 42.059 0.163 0.000 0.890 386 L HN 0.506 nan 8.230 nan 0.000 0.432 387 E N -0.893 119.503 120.200 0.327 0.000 2.072 387 E HA -0.292 4.058 4.350 0.000 0.000 0.191 387 E C 2.114 178.731 176.600 0.027 0.000 0.985 387 E CA 1.261 57.787 56.400 0.210 0.000 0.801 387 E CB -0.130 29.629 29.700 0.099 0.000 0.750 387 E HN 0.676 nan 8.360 nan 0.000 0.452 388 E N -0.076 120.148 120.200 0.040 0.000 2.110 388 E HA -0.165 4.185 4.350 0.000 0.000 0.193 388 E C 2.005 178.585 176.600 -0.034 0.000 0.988 388 E CA 1.303 57.687 56.400 -0.027 0.000 0.804 388 E CB 0.141 29.836 29.700 -0.008 0.000 0.745 388 E HN 0.157 nan 8.360 nan 0.000 0.458 389 V N 0.585 120.558 119.914 0.098 0.000 2.548 389 V HA -0.117 4.003 4.120 0.000 0.000 0.249 389 V C 2.304 178.480 176.094 0.136 0.000 1.055 389 V CA 1.619 64.042 62.300 0.205 0.000 1.065 389 V CB -0.587 31.463 31.823 0.378 0.000 0.681 389 V HN 0.514 nan 8.190 nan 0.000 0.462 390 G N -0.046 108.844 108.800 0.151 0.000 2.433 390 G HA2 -0.235 3.725 3.960 0.000 0.000 0.216 390 G HA3 -0.235 3.725 3.960 0.000 0.000 0.216 390 G C 1.749 176.554 174.900 -0.159 0.000 1.186 390 G CA 0.657 45.814 45.100 0.096 0.000 0.779 390 G HN 0.389 nan 8.290 nan 0.000 0.543 391 R N -0.186 120.157 120.500 -0.262 0.000 2.083 391 R HA -0.016 4.324 4.340 0.000 0.000 0.237 391 R C 2.803 178.872 176.300 -0.384 0.000 1.137 391 R CA 1.003 56.915 56.100 -0.314 0.000 0.951 391 R CB -0.296 29.832 30.300 -0.287 0.000 0.851 391 R HN 0.164 nan 8.270 nan 0.000 0.434 392 R N 0.391 120.577 120.500 -0.523 0.000 2.139 392 R HA -0.119 4.221 4.340 0.000 0.000 0.243 392 R C 2.006 177.745 176.300 -0.934 0.000 1.145 392 R CA 1.392 56.875 56.100 -1.028 0.000 0.976 392 R CB -0.309 28.892 30.300 -1.831 0.000 0.866 392 R HN 0.356 nan 8.270 nan 0.000 0.449 393 M N -0.896 118.424 119.600 -0.466 0.000 2.595 393 M HA 0.102 4.582 4.480 0.000 0.000 0.248 393 M C 0.843 177.030 176.300 -0.189 0.000 1.119 393 M CA 0.764 55.918 55.300 -0.244 0.000 1.079 393 M CB 0.439 33.037 32.600 -0.004 0.000 1.472 393 M HN 0.359 nan 8.290 nan 0.000 0.501 394 G N 1.782 110.447 108.800 -0.225 0.000 2.147 394 G HA2 -0.229 3.731 3.960 0.000 0.000 0.244 394 G HA3 -0.229 3.731 3.960 0.000 0.000 0.244 394 G C -0.067 174.762 174.900 -0.119 0.000 1.005 394 G CA -0.206 44.792 45.100 -0.169 0.000 0.713 394 G HN 0.394 nan 8.290 nan 0.000 0.515 395 L N -0.450 120.702 121.223 -0.119 0.000 2.421 395 L HA 0.427 4.767 4.340 0.000 0.000 0.263 395 L C 0.965 177.713 176.870 -0.203 0.000 1.122 395 L CA -0.766 54.028 54.840 -0.076 0.000 0.804 395 L CB 0.564 42.655 42.059 0.053 0.000 1.150 395 L HN 0.178 nan 8.230 nan 0.000 0.457 396 E N 0.190 120.305 120.200 -0.141 0.000 2.222 396 E HA -0.027 4.323 4.350 0.000 0.000 0.312 396 E C 0.917 177.228 176.600 -0.482 0.000 1.263 396 E CA 0.025 56.311 56.400 -0.191 0.000 1.356 396 E CB -0.146 29.533 29.700 -0.036 0.000 1.180 396 E HN 0.666 nan 8.360 nan 0.000 0.494 397 T N -1.781 112.225 114.554 -0.912 0.000 3.118 397 T HA -0.184 4.166 4.350 0.000 0.000 0.269 397 T C 1.040 175.095 174.700 -1.074 0.000 1.166 397 T CA 0.869 61.916 62.100 -1.755 0.000 1.073 397 T CB -0.115 67.816 68.868 -1.563 0.000 0.884 397 T HN 0.419 nan 8.240 nan 0.000 0.550 398 H N 0.270 119.119 119.070 -0.368 0.000 2.586 398 H HA 0.258 4.814 4.556 0.000 0.000 0.273 398 H C 0.068 175.392 175.328 -0.006 0.000 0.997 398 H CA 0.216 56.184 56.048 -0.135 0.000 1.177 398 H CB 0.640 30.336 29.762 -0.111 0.000 1.471 398 H HN 0.377 nan 8.280 nan 0.000 0.538 399 T N 2.253 116.876 114.554 0.115 0.000 2.977 399 T HA 0.216 4.566 4.350 0.000 0.000 0.346 399 T C 1.580 176.461 174.700 0.301 0.000 1.140 399 T CA -0.325 61.881 62.100 0.176 0.000 1.040 399 T CB 1.386 70.328 68.868 0.123 0.000 1.046 399 T HN 0.078 nan 8.240 nan 0.000 0.494 400 L N 1.901 123.293 121.223 0.280 0.000 1.997 400 L HA -0.220 4.120 4.340 0.000 0.000 0.216 400 L C 2.734 179.693 176.870 0.147 0.000 1.074 400 L CA 1.730 56.712 54.840 0.237 0.000 0.763 400 L CB -0.445 41.697 42.059 0.138 0.000 0.890 400 L HN 0.730 nan 8.230 nan 0.000 0.434 401 A N -0.675 122.216 122.820 0.118 0.000 2.259 401 A HA -0.143 4.177 4.320 0.000 0.000 0.212 401 A C 2.279 179.920 177.584 0.095 0.000 1.178 401 A CA 1.379 53.464 52.037 0.081 0.000 0.734 401 A CB -0.518 18.521 19.000 0.065 0.000 0.774 401 A HN 0.599 nan 8.150 nan 0.000 0.481 402 S N -0.658 115.135 115.700 0.155 0.000 2.522 402 S HA 0.128 4.598 4.470 0.000 0.000 0.227 402 S C 0.886 175.576 174.600 0.150 0.000 0.986 402 S CA 0.595 58.891 58.200 0.161 0.000 0.929 402 S CB -0.676 62.652 63.200 0.213 0.000 0.769 402 S HN 0.832 nan 8.310 nan 0.000 0.529 403 L N 0.550 121.835 121.223 0.104 0.000 3.865 403 L HA -0.170 4.170 4.340 0.000 0.000 0.408 403 L C 1.621 178.495 176.870 0.007 0.000 1.209 403 L CA 0.752 55.591 54.840 -0.001 0.000 0.940 403 L CB -2.582 39.485 42.059 0.013 0.000 1.971 403 L HN 0.751 nan 8.230 nan 0.000 0.899 404 W N 0.245 121.557 121.300 0.019 0.000 2.363 404 W HA -0.145 4.515 4.660 0.000 0.000 0.296 404 W C 1.713 178.250 176.519 0.030 0.000 1.212 404 W CA 1.308 58.665 57.345 0.020 0.000 1.260 404 W CB -0.774 28.685 29.460 -0.002 0.000 1.131 404 W HN 0.262 nan 8.180 nan 0.000 0.530 405 K N 0.771 120.576 120.400 -0.992 0.000 2.063 405 K HA -0.174 4.146 4.320 0.000 0.000 0.208 405 K C 1.637 178.052 176.600 -0.310 0.000 1.048 405 K CA 2.061 57.808 56.287 -0.900 0.000 0.928 405 K CB -0.384 31.508 32.500 -1.013 0.000 0.713 405 K HN 0.111 nan 8.250 nan 0.000 0.442 406 D N 0.294 120.570 120.400 -0.205 0.000 2.178 406 D HA -0.112 4.528 4.640 0.000 0.000 0.202 406 D C 2.010 178.313 176.300 0.004 0.000 0.974 406 D CA 0.940 54.892 54.000 -0.079 0.000 0.841 406 D CB 0.058 40.825 40.800 -0.053 0.000 0.953 406 D HN 0.178 nan 8.370 nan 0.000 0.478 407 R N 0.680 121.209 120.500 0.048 0.000 2.075 407 R HA -0.028 4.312 4.340 0.000 0.000 0.232 407 R C 2.369 178.764 176.300 0.158 0.000 1.126 407 R CA 1.110 57.280 56.100 0.117 0.000 0.963 407 R CB -0.108 30.287 30.300 0.158 0.000 0.858 407 R HN 0.047 nan 8.270 nan 0.000 0.435 408 A N 0.336 123.263 122.820 0.178 0.000 1.845 408 A HA -0.145 4.175 4.320 0.000 0.000 0.215 408 A C 2.216 179.909 177.584 0.183 0.000 1.195 408 A CA 1.546 53.724 52.037 0.234 0.000 0.616 408 A CB -1.028 18.149 19.000 0.294 0.000 0.832 408 A HN 0.218 nan 8.150 nan 0.000 0.443 409 V N -0.027 119.946 119.914 0.099 0.000 2.453 409 V HA -0.239 3.881 4.120 0.000 0.000 0.252 409 V C 2.530 178.668 176.094 0.074 0.000 1.068 409 V CA 2.997 65.341 62.300 0.074 0.000 1.070 409 V CB -0.874 30.948 31.823 -0.001 0.000 0.664 409 V HN 0.657 nan 8.190 nan 0.000 0.461 410 T N -0.344 114.256 114.554 0.076 0.000 2.777 410 T HA -0.110 4.240 4.350 0.000 0.000 0.266 410 T C 1.783 176.532 174.700 0.082 0.000 1.040 410 T CA 1.453 63.599 62.100 0.076 0.000 1.141 410 T CB -0.214 68.701 68.868 0.079 0.000 0.868 410 T HN 0.524 nan 8.240 nan 0.000 0.444 411 E N 0.966 121.240 120.200 0.123 0.000 2.106 411 E HA 0.020 4.370 4.350 0.000 0.000 0.192 411 E C 2.208 178.847 176.600 0.065 0.000 0.984 411 E CA 0.620 57.097 56.400 0.128 0.000 0.806 411 E CB -0.352 29.472 29.700 0.206 0.000 0.750 411 E HN 0.528 nan 8.360 nan 0.000 0.458 412 I N 1.516 122.161 120.570 0.125 0.000 2.179 412 I HA -0.257 3.913 4.170 0.000 0.000 0.242 412 I C 2.079 178.233 176.117 0.062 0.000 1.088 412 I CA 0.799 62.184 61.300 0.142 0.000 1.357 412 I CB -0.329 37.837 38.000 0.276 0.000 1.051 412 I HN 0.038 nan 8.210 nan 0.000 0.409 413 N N 0.696 119.422 118.700 0.043 0.000 2.104 413 N HA -0.139 4.601 4.740 0.000 0.000 0.190 413 N C 1.929 177.427 175.510 -0.021 0.000 1.024 413 N CA 1.184 54.233 53.050 -0.001 0.000 0.853 413 N CB -0.314 38.175 38.487 0.003 0.000 1.008 413 N HN 0.153 nan 8.380 nan 0.000 0.424 414 V N 1.529 121.419 119.914 -0.042 0.000 2.343 414 V HA -0.193 3.927 4.120 0.000 0.000 0.247 414 V C 2.413 178.401 176.094 -0.176 0.000 1.051 414 V CA 1.721 63.954 62.300 -0.112 0.000 1.036 414 V CB -0.887 30.836 31.823 -0.166 0.000 0.654 414 V HN 0.284 nan 8.190 nan 0.000 0.451 415 A N -0.111 122.559 122.820 -0.250 0.000 1.865 415 A HA -0.182 4.138 4.320 0.000 0.000 0.217 415 A C 2.412 179.974 177.584 -0.038 0.000 1.191 415 A CA 2.234 54.085 52.037 -0.310 0.000 0.623 415 A CB -0.824 17.681 19.000 -0.825 0.000 0.826 415 A HN 0.309 nan 8.150 nan 0.000 0.444 416 V N 0.215 120.145 119.914 0.027 0.000 2.231 416 V HA -0.328 3.792 4.120 0.000 0.000 0.248 416 V C 2.627 178.777 176.094 0.094 0.000 1.054 416 V CA 2.298 64.661 62.300 0.105 0.000 1.015 416 V CB -0.918 30.898 31.823 -0.011 0.000 0.638 416 V HN 0.587 nan 8.190 nan 0.000 0.444 417 L N -0.605 120.620 121.223 0.003 0.000 2.012 417 L HA -0.249 4.091 4.340 0.000 0.000 0.210 417 L C 2.641 179.548 176.870 0.060 0.000 1.073 417 L CA 2.271 57.114 54.840 0.006 0.000 0.748 417 L CB -1.023 41.031 42.059 -0.009 0.000 0.891 417 L HN 0.528 nan 8.230 nan 0.000 0.431 418 H N -0.142 118.892 119.070 -0.061 0.000 2.352 418 H HA -0.153 4.403 4.556 0.000 0.000 0.299 418 H C 2.242 177.556 175.328 -0.023 0.000 1.097 418 H CA 1.859 57.855 56.048 -0.086 0.000 1.311 418 H CB 0.341 29.979 29.762 -0.207 0.000 1.377 418 H HN 0.283 nan 8.280 nan 0.000 0.504 419 S N 0.231 115.826 115.700 -0.174 0.000 2.355 419 S HA -0.100 4.370 4.470 0.000 0.000 0.222 419 S C 1.964 176.512 174.600 -0.086 0.000 1.031 419 S CA 1.085 59.177 58.200 -0.181 0.000 0.993 419 S CB -0.521 62.686 63.200 0.012 0.000 0.859 419 S HN 0.282 nan 8.310 nan 0.000 0.453 420 F N 2.148 122.030 119.950 -0.113 0.000 2.095 420 F HA -0.149 4.378 4.527 0.000 0.000 0.298 420 F C 2.678 178.420 175.800 -0.097 0.000 1.104 420 F CA 1.326 59.282 58.000 -0.074 0.000 1.232 420 F CB -0.680 38.295 39.000 -0.042 0.000 0.987 420 F HN 0.214 nan 8.300 nan 0.000 0.475 421 Q N -0.138 119.709 119.800 0.078 0.000 2.050 421 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 421 Q C 2.258 178.212 176.000 -0.077 0.000 0.980 421 Q CA 1.835 57.634 55.803 -0.007 0.000 0.840 421 Q CB -0.338 28.390 28.738 -0.017 0.000 0.898 421 Q HN 0.323 nan 8.270 nan 0.000 0.424 422 K N 0.832 121.126 120.400 -0.177 0.000 2.044 422 K HA -0.221 4.099 4.320 0.000 0.000 0.210 422 K C 1.590 178.111 176.600 -0.132 0.000 1.049 422 K CA 1.542 57.711 56.287 -0.196 0.000 0.927 422 K CB 0.077 32.359 32.500 -0.363 0.000 0.713 422 K HN 0.154 nan 8.250 nan 0.000 0.443 423 Q N 0.488 120.203 119.800 -0.141 0.000 2.373 423 Q HA 0.072 4.412 4.340 0.000 0.000 0.206 423 Q C -0.718 175.224 176.000 -0.096 0.000 0.942 423 Q CA -0.112 55.617 55.803 -0.124 0.000 0.953 423 Q CB 0.318 28.956 28.738 -0.166 0.000 1.022 423 Q HN 0.299 nan 8.270 nan 0.000 0.502 424 N N -0.270 118.388 118.700 -0.070 0.000 2.725 424 N HA -0.152 4.588 4.740 0.000 0.000 0.251 424 N C -1.434 174.057 175.510 -0.031 0.000 1.031 424 N CA 0.600 53.623 53.050 -0.045 0.000 0.720 424 N CB -1.379 37.081 38.487 -0.046 0.000 0.930 424 N HN 0.017 nan 8.380 nan 0.000 0.543 425 V N 0.859 120.772 119.914 -0.000 0.000 2.409 425 V HA 0.231 4.351 4.120 0.000 0.000 0.291 425 V C 0.802 177.024 176.094 0.213 0.000 1.020 425 V CA -0.681 61.659 62.300 0.066 0.000 0.848 425 V CB 1.992 33.774 31.823 -0.069 0.000 0.990 425 V HN 0.209 nan 8.190 nan 0.000 0.430 426 T N 6.535 121.149 114.554 0.101 0.000 2.891 426 T HA 0.319 4.669 4.350 0.000 0.000 0.296 426 T C -0.227 174.521 174.700 0.081 0.000 1.025 426 T CA 1.072 63.149 62.100 -0.038 0.000 1.149 426 T CB -0.000 68.717 68.868 -0.251 0.000 1.007 426 T HN 0.592 nan 8.240 nan 0.000 0.528 427 I N 2.500 123.028 120.570 -0.070 0.000 2.882 427 I HA 0.541 4.711 4.170 0.000 0.000 0.298 427 I C -1.624 174.455 176.117 -0.064 0.000 1.462 427 I CA -1.031 60.228 61.300 -0.068 0.000 1.000 427 I CB 2.014 39.832 38.000 -0.303 0.000 1.340 427 I HN 0.653 nan 8.210 nan 0.000 0.462 428 M N 5.306 124.933 119.600 0.044 0.000 2.395 428 M HA 0.402 4.882 4.480 0.000 0.000 0.307 428 M C -1.468 174.872 176.300 0.068 0.000 1.091 428 M CA -0.474 54.871 55.300 0.075 0.000 0.919 428 M CB 1.789 34.510 32.600 0.203 0.000 1.662 428 M HN 0.630 nan 8.290 nan 0.000 0.440 429 D N 1.971 122.408 120.400 0.062 0.000 2.357 429 D HA 0.053 4.693 4.640 0.000 0.000 0.242 429 D C 1.081 177.447 176.300 0.110 0.000 1.153 429 D CA -0.088 53.972 54.000 0.101 0.000 0.918 429 D CB 0.563 41.411 40.800 0.081 0.000 1.181 429 D HN 0.703 nan 8.370 nan 0.000 0.435 430 H N 0.424 119.456 119.070 -0.064 0.000 2.457 430 H HA -0.122 4.434 4.556 0.000 0.000 0.294 430 H C 1.071 176.320 175.328 -0.132 0.000 1.064 430 H CA 1.286 57.259 56.048 -0.125 0.000 1.330 430 H CB -0.633 28.997 29.762 -0.220 0.000 1.395 430 H HN 0.549 nan 8.280 nan 0.000 0.541 431 H N 0.966 119.805 119.070 -0.384 0.000 2.299 431 H HA -0.041 4.515 4.556 0.000 0.000 0.302 431 H C 1.910 177.196 175.328 -0.069 0.000 1.078 431 H CA 2.020 57.922 56.048 -0.243 0.000 1.323 431 H CB -0.234 29.360 29.762 -0.280 0.000 1.381 431 H HN 0.382 nan 8.280 nan 0.000 0.498 432 T N 1.157 115.761 114.554 0.083 0.000 2.788 432 T HA -0.090 4.260 4.350 0.000 0.000 0.268 432 T C 2.302 177.064 174.700 0.103 0.000 1.044 432 T CA 1.088 63.237 62.100 0.082 0.000 1.139 432 T CB -0.363 68.546 68.868 0.069 0.000 0.867 432 T HN 0.425 nan 8.240 nan 0.000 0.454 433 A N 1.279 124.162 122.820 0.105 0.000 1.877 433 A HA -0.100 4.220 4.320 0.000 0.000 0.216 433 A C 2.638 180.312 177.584 0.150 0.000 1.186 433 A CA 1.964 54.082 52.037 0.135 0.000 0.620 433 A CB -0.989 18.083 19.000 0.121 0.000 0.822 433 A HN 0.423 nan 8.150 nan 0.000 0.443 434 S N -0.280 115.488 115.700 0.113 0.000 2.359 434 S HA -0.193 4.277 4.470 0.000 0.000 0.224 434 S C 1.876 176.593 174.600 0.194 0.000 1.035 434 S CA 1.671 59.957 58.200 0.144 0.000 1.018 434 S CB -0.366 62.888 63.200 0.089 0.000 0.876 434 S HN 0.706 nan 8.310 nan 0.000 0.448 435 E N 0.638 120.926 120.200 0.146 0.000 2.110 435 E HA -0.116 4.234 4.350 0.000 0.000 0.193 435 E C 2.263 178.941 176.600 0.131 0.000 0.988 435 E CA 1.107 57.583 56.400 0.127 0.000 0.804 435 E CB -0.239 29.518 29.700 0.094 0.000 0.745 435 E HN 0.425 nan 8.360 nan 0.000 0.458 436 S N 0.588 116.377 115.700 0.149 0.000 2.359 436 S HA -0.202 4.268 4.470 0.000 0.000 0.224 436 S C 1.805 176.512 174.600 0.179 0.000 1.035 436 S CA 1.077 59.368 58.200 0.152 0.000 1.018 436 S CB -0.317 62.984 63.200 0.168 0.000 0.876 436 S HN 0.338 nan 8.310 nan 0.000 0.448 437 F N 1.831 121.845 119.950 0.106 0.000 2.134 437 F HA -0.002 4.525 4.527 0.000 0.000 0.299 437 F C 2.192 178.083 175.800 0.153 0.000 1.097 437 F CA 1.572 59.653 58.000 0.136 0.000 1.264 437 F CB -0.348 38.712 39.000 0.100 0.000 1.001 437 F HN 0.194 nan 8.300 nan 0.000 0.479 438 M N 0.232 119.877 119.600 0.076 0.000 2.086 438 M HA -0.197 4.283 4.480 0.000 0.000 0.261 438 M C 2.250 178.499 176.300 -0.085 0.000 1.067 438 M CA 1.677 56.970 55.300 -0.012 0.000 1.116 438 M CB -1.204 31.455 32.600 0.098 0.000 1.348 438 M HN 0.102 nan 8.290 nan 0.000 0.407 439 K N -0.147 120.244 120.400 -0.015 0.000 2.032 439 K HA -0.226 4.094 4.320 0.000 0.000 0.209 439 K C 1.947 178.519 176.600 -0.047 0.000 1.048 439 K CA 2.003 58.282 56.287 -0.012 0.000 0.927 439 K CB -0.711 31.809 32.500 0.034 0.000 0.712 439 K HN 0.399 nan 8.250 nan 0.000 0.441 440 H N -0.151 118.819 119.070 -0.166 0.000 2.321 440 H HA -0.068 4.488 4.556 0.000 0.000 0.300 440 H C 2.039 177.199 175.328 -0.281 0.000 1.087 440 H CA 2.530 58.456 56.048 -0.203 0.000 1.319 440 H CB -0.249 29.378 29.762 -0.224 0.000 1.379 440 H HN 0.304 nan 8.280 nan 0.000 0.501 441 M N -0.057 119.173 119.600 -0.617 0.000 2.149 441 M HA -0.240 4.240 4.480 0.000 0.000 0.261 441 M C 2.493 178.676 176.300 -0.196 0.000 1.064 441 M CA 2.132 57.137 55.300 -0.492 0.000 1.102 441 M CB -0.185 32.137 32.600 -0.463 0.000 1.369 441 M HN 0.576 nan 8.290 nan 0.000 0.408 442 Q N 0.339 120.029 119.800 -0.182 0.000 2.030 442 Q HA -0.240 4.100 4.340 0.000 0.000 0.204 442 Q C 1.524 177.471 176.000 -0.088 0.000 0.986 442 Q CA 2.112 57.854 55.803 -0.101 0.000 0.843 442 Q CB -0.203 28.483 28.738 -0.087 0.000 0.904 442 Q HN 0.591 nan 8.270 nan 0.000 0.420 443 N N 0.521 119.136 118.700 -0.141 0.000 2.104 443 N HA -0.165 4.575 4.740 0.000 0.000 0.190 443 N C 1.637 177.042 175.510 -0.175 0.000 1.024 443 N CA 1.315 54.290 53.050 -0.125 0.000 0.853 443 N CB -0.285 38.146 38.487 -0.094 0.000 1.008 443 N HN 0.338 nan 8.380 nan 0.000 0.424 444 E N 0.192 120.202 120.200 -0.316 0.000 2.077 444 E HA -0.122 4.228 4.350 0.000 0.000 0.193 444 E C 1.890 178.356 176.600 -0.224 0.000 0.989 444 E CA 0.777 56.973 56.400 -0.340 0.000 0.800 444 E CB -0.385 29.016 29.700 -0.499 0.000 0.746 444 E HN 0.483 nan 8.360 nan 0.000 0.452 445 Y N 0.928 121.117 120.300 -0.185 0.000 2.200 445 Y HA -0.109 4.442 4.550 0.000 0.000 0.290 445 Y C 2.647 178.483 175.900 -0.107 0.000 1.137 445 Y CA 1.317 59.346 58.100 -0.118 0.000 1.163 445 Y CB -0.152 38.246 38.460 -0.104 0.000 0.988 445 Y HN -0.040 nan 8.280 nan 0.000 0.518 446 R N 0.049 120.563 120.500 0.023 0.000 2.070 446 R HA -0.181 4.159 4.340 0.000 0.000 0.233 446 R C 2.356 178.628 176.300 -0.046 0.000 1.137 446 R CA 1.288 57.377 56.100 -0.018 0.000 0.945 446 R CB -0.482 29.801 30.300 -0.027 0.000 0.845 446 R HN 0.331 nan 8.270 nan 0.000 0.430 447 A N 1.699 124.476 122.820 -0.071 0.000 1.835 447 A HA -0.194 4.126 4.320 0.000 0.000 0.215 447 A C 1.751 179.278 177.584 -0.094 0.000 1.199 447 A CA 1.911 53.902 52.037 -0.078 0.000 0.615 447 A CB -0.298 18.645 19.000 -0.096 0.000 0.838 447 A HN 0.564 nan 8.150 nan 0.000 0.444 448 R N -2.135 118.279 120.500 -0.144 0.000 2.629 448 R HA 0.439 4.779 4.340 0.000 0.000 0.408 448 R C 0.711 176.912 176.300 -0.165 0.000 1.057 448 R CA 0.369 56.385 56.100 -0.139 0.000 1.119 448 R CB -0.529 29.681 30.300 -0.151 0.000 1.403 448 R HN 0.925 nan 8.270 nan 0.000 0.576 449 G N -0.038 108.653 108.800 -0.182 0.000 2.273 449 G HA2 -0.099 3.861 3.960 0.000 0.000 0.280 449 G HA3 -0.099 3.861 3.960 0.000 0.000 0.280 449 G C 0.228 174.856 174.900 -0.454 0.000 1.047 449 G CA 0.163 45.142 45.100 -0.201 0.000 0.869 449 G HN 0.947 nan 8.290 nan 0.000 0.502 450 G N -2.612 105.659 108.800 -0.881 0.000 2.316 450 G HA2 0.573 4.533 3.960 0.000 0.000 0.296 450 G HA3 0.573 4.533 3.960 0.000 0.000 0.296 450 G C -0.842 173.612 174.900 -0.743 0.000 1.399 450 G CA 0.314 44.748 45.100 -1.110 0.000 0.833 450 G HN 1.955 nan 8.290 nan 0.000 0.565 451 C N 2.061 121.150 119.300 -0.350 0.000 3.080 451 C HA 0.562 5.022 4.460 0.000 0.000 0.388 451 C C -2.645 172.297 174.990 -0.081 0.000 1.079 451 C CA -1.028 57.910 59.018 -0.133 0.000 1.289 451 C CB 0.899 28.613 27.740 -0.043 0.000 1.702 451 C HN 0.699 nan 8.230 nan 0.000 0.516 452 P HA 0.337 nan 4.420 nan 0.000 0.262 452 P C -0.454 176.742 177.300 -0.173 0.000 1.199 452 P CA 0.828 63.519 63.100 -0.681 0.000 0.763 452 P CB 0.818 32.024 31.700 -0.824 0.000 0.790 453 A N 3.088 125.877 122.820 -0.052 0.000 2.422 453 A HA 0.409 4.729 4.320 0.000 0.000 0.302 453 A C -0.744 176.890 177.584 0.084 0.000 1.041 453 A CA -0.553 51.538 52.037 0.090 0.000 0.708 453 A CB 1.221 20.384 19.000 0.271 0.000 1.257 453 A HN 0.435 nan 8.150 nan 0.000 0.414 454 D N 2.273 122.712 120.400 0.064 0.000 2.485 454 D HA 0.107 4.747 4.640 0.000 0.000 0.229 454 D C 0.832 177.250 176.300 0.197 0.000 1.101 454 D CA -0.566 53.507 54.000 0.122 0.000 0.906 454 D CB 0.198 41.031 40.800 0.056 0.000 1.019 454 D HN 0.616 nan 8.370 nan 0.000 0.516 455 W N 4.393 125.716 121.300 0.040 0.000 2.290 455 W HA -0.279 4.382 4.660 0.000 0.000 0.318 455 W C 1.783 178.321 176.519 0.032 0.000 1.248 455 W CA 1.463 58.816 57.345 0.014 0.000 1.263 455 W CB -0.133 29.315 29.460 -0.019 0.000 1.147 455 W HN 0.456 nan 8.180 nan 0.000 0.494 456 I N -1.194 119.645 120.570 0.448 0.000 2.335 456 I HA -0.311 3.859 4.170 0.000 0.000 0.251 456 I C 1.747 177.951 176.117 0.144 0.000 1.129 456 I CA 1.508 63.009 61.300 0.335 0.000 1.402 456 I CB -0.650 37.574 38.000 0.373 0.000 1.069 456 I HN 0.144 nan 8.210 nan 0.000 0.424 457 W N 0.123 121.393 121.300 -0.051 0.000 2.683 457 W HA 0.138 4.798 4.660 0.000 0.000 0.267 457 W C 2.243 178.647 176.519 -0.190 0.000 1.243 457 W CA 0.158 57.447 57.345 -0.092 0.000 1.380 457 W CB -0.338 29.094 29.460 -0.048 0.000 1.063 457 W HN -0.079 nan 8.180 nan 0.000 0.599 458 L N -0.061 121.119 121.223 -0.071 0.000 2.217 458 L HA -0.037 4.303 4.340 0.000 0.000 0.211 458 L C 0.595 177.257 176.870 -0.346 0.000 1.107 458 L CA 0.394 55.069 54.840 -0.275 0.000 0.783 458 L CB -0.899 40.901 42.059 -0.431 0.000 0.919 458 L HN -0.390 nan 8.230 nan 0.000 0.442 459 V N 1.403 121.031 119.914 -0.478 0.000 2.427 459 V HA 0.141 4.261 4.120 0.000 0.000 0.268 459 V C -1.811 174.101 176.094 -0.304 0.000 1.046 459 V CA -1.420 60.587 62.300 -0.489 0.000 0.970 459 V CB 0.333 31.627 31.823 -0.882 0.000 1.001 459 V HN 0.036 nan 8.190 nan 0.000 0.476 460 P HA 0.016 nan 4.420 nan 0.000 0.266 460 P C -1.680 175.501 177.300 -0.199 0.000 1.186 460 P CA -0.715 62.273 63.100 -0.186 0.000 0.767 460 P CB 0.076 31.713 31.700 -0.105 0.000 0.820 461 P HA -0.063 nan 4.420 nan 0.000 0.234 461 P C -0.037 177.164 177.300 -0.166 0.000 1.167 461 P CA 1.064 64.046 63.100 -0.198 0.000 0.763 461 P CB 0.114 31.684 31.700 -0.217 0.000 0.835 462 V N -5.451 114.351 119.914 -0.186 0.000 3.049 462 V HA 0.590 4.710 4.120 0.000 0.000 0.309 462 V C 0.187 176.246 176.094 -0.058 0.000 1.148 462 V CA -0.577 61.647 62.300 -0.126 0.000 0.990 462 V CB 1.378 33.111 31.823 -0.148 0.000 1.039 462 V HN 0.061 nan 8.190 nan 0.000 0.430 463 S N 0.264 115.958 115.700 -0.010 0.000 3.559 463 S HA -0.188 4.282 4.470 0.000 0.000 0.369 463 S C 1.375 175.964 174.600 -0.018 0.000 0.987 463 S CA 1.219 59.433 58.200 0.023 0.000 1.187 463 S CB -2.206 61.074 63.200 0.132 0.000 0.914 463 S HN 2.535 nan 8.310 nan 0.000 0.480 464 G N 2.801 111.571 108.800 -0.050 0.000 2.721 464 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 464 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 464 G C 1.553 176.345 174.900 -0.181 0.000 1.265 464 G CA 1.746 46.826 45.100 -0.033 0.000 0.796 464 G HN 1.773 nan 8.290 nan 0.000 0.620 465 S N 0.147 115.432 115.700 -0.691 0.000 2.595 465 S HA 0.084 4.554 4.470 0.000 0.000 0.235 465 S C 1.994 176.526 174.600 -0.114 0.000 0.974 465 S CA 0.504 58.150 58.200 -0.923 0.000 0.942 465 S CB -0.059 62.353 63.200 -1.312 0.000 0.766 465 S HN 0.191 nan 8.310 nan 0.000 0.536 466 I N 2.833 123.378 120.570 -0.042 0.000 2.928 466 I HA 0.036 4.206 4.170 0.000 0.000 0.266 466 I C 1.401 177.613 176.117 0.158 0.000 1.234 466 I CA 0.656 62.007 61.300 0.085 0.000 1.483 466 I CB -1.784 36.294 38.000 0.129 0.000 1.097 466 I HN 0.501 nan 8.210 nan 0.000 0.455 467 T N -0.906 113.727 114.554 0.131 0.000 2.928 467 T HA 0.329 4.679 4.350 0.000 0.000 0.284 467 T C -1.443 173.408 174.700 0.252 0.000 1.008 467 T CA -1.686 60.505 62.100 0.153 0.000 1.057 467 T CB 2.158 71.060 68.868 0.057 0.000 1.018 467 T HN -0.066 nan 8.240 nan 0.000 0.493 468 P HA 0.010 nan 4.420 nan 0.000 0.225 468 P C 1.627 179.133 177.300 0.343 0.000 1.156 468 P CA 0.261 63.563 63.100 0.336 0.000 0.787 468 P CB -0.081 31.753 31.700 0.222 0.000 0.802 469 V N -0.262 119.795 119.914 0.238 0.000 2.594 469 V HA -0.217 3.903 4.120 0.000 0.000 0.253 469 V C 2.333 178.521 176.094 0.156 0.000 1.069 469 V CA 1.554 63.963 62.300 0.183 0.000 1.082 469 V CB -1.536 30.311 31.823 0.040 0.000 0.680 469 V HN -0.013 nan 8.190 nan 0.000 0.469 470 F N 1.383 121.314 119.950 -0.032 0.000 2.171 470 F HA -0.175 4.352 4.527 0.000 0.000 0.300 470 F C 2.079 177.979 175.800 0.166 0.000 1.090 470 F CA 1.960 59.951 58.000 -0.014 0.000 1.293 470 F CB -0.318 38.542 39.000 -0.233 0.000 1.013 470 F HN 0.362 nan 8.300 nan 0.000 0.486 471 H N -1.367 118.072 119.070 0.615 0.000 2.533 471 H HA 0.172 4.729 4.556 0.000 0.000 0.271 471 H C 0.158 175.736 175.328 0.416 0.000 1.000 471 H CA 0.095 56.441 56.048 0.496 0.000 1.149 471 H CB -0.187 29.838 29.762 0.438 0.000 1.375 471 H HN 0.141 nan 8.280 nan 0.000 0.582 472 Q N 1.907 121.980 119.800 0.455 0.000 2.314 472 Q HA 0.164 4.504 4.340 0.000 0.000 0.259 472 Q C -0.720 175.489 176.000 0.347 0.000 0.951 472 Q CA -0.495 55.526 55.803 0.363 0.000 0.909 472 Q CB 0.717 29.642 28.738 0.311 0.000 1.236 472 Q HN 0.347 nan 8.270 nan 0.000 0.444 473 E N 3.679 124.038 120.200 0.266 0.000 2.354 473 E HA 0.313 4.663 4.350 0.000 0.000 0.269 473 E C -0.537 176.176 176.600 0.189 0.000 1.036 473 E CA 0.134 56.647 56.400 0.188 0.000 0.876 473 E CB 0.902 30.713 29.700 0.186 0.000 1.009 473 E HN 0.601 nan 8.360 nan 0.000 0.416 474 M N 2.246 121.960 119.600 0.190 0.000 2.501 474 M HA 0.332 4.812 4.480 0.000 0.000 0.293 474 M C -1.352 175.062 176.300 0.190 0.000 1.192 474 M CA -1.065 54.372 55.300 0.228 0.000 0.886 474 M CB 1.658 34.440 32.600 0.302 0.000 1.710 474 M HN 0.187 nan 8.290 nan 0.000 0.457 475 L N 2.450 123.812 121.223 0.232 0.000 2.296 475 L HA 0.473 4.813 4.340 0.000 0.000 0.286 475 L C -0.545 176.433 176.870 0.179 0.000 1.023 475 L CA -0.107 54.885 54.840 0.253 0.000 0.812 475 L CB 1.196 43.487 42.059 0.388 0.000 1.223 475 L HN 0.570 nan 8.230 nan 0.000 0.421 476 N N 3.477 122.271 118.700 0.157 0.000 2.476 476 N HA 0.500 5.240 4.740 0.000 0.000 0.257 476 N C -1.556 174.011 175.510 0.096 0.000 0.970 476 N CA -0.272 52.789 53.050 0.017 0.000 0.938 476 N CB 0.516 39.032 38.487 0.049 0.000 1.144 476 N HN 0.377 nan 8.380 nan 0.000 0.500 477 Y N -0.003 120.311 120.300 0.023 0.000 2.615 477 Y HA 0.653 5.203 4.550 0.000 0.000 0.341 477 Y C -1.020 174.823 175.900 -0.095 0.000 1.089 477 Y CA -1.395 56.691 58.100 -0.022 0.000 1.049 477 Y CB 0.723 39.191 38.460 0.014 0.000 1.296 477 Y HN -0.027 nan 8.280 nan 0.000 0.470 478 V N 4.008 123.890 119.914 -0.053 0.000 2.318 478 V HA 0.335 4.455 4.120 0.000 0.000 0.271 478 V C 0.193 176.147 176.094 -0.232 0.000 1.030 478 V CA -0.423 61.618 62.300 -0.433 0.000 0.844 478 V CB 0.202 31.598 31.823 -0.711 0.000 1.015 478 V HN 0.733 nan 8.190 nan 0.000 0.460 479 L N 2.795 123.942 121.223 -0.126 0.000 2.970 479 L HA 0.712 5.052 4.340 0.000 0.000 0.214 479 L C 0.450 177.312 176.870 -0.014 0.000 1.317 479 L CA -0.382 54.462 54.840 0.007 0.000 1.187 479 L CB 1.102 43.214 42.059 0.088 0.000 2.155 479 L HN 0.618 nan 8.230 nan 0.000 0.554 480 S N -1.065 114.669 115.700 0.057 0.000 2.543 480 S HA 0.477 4.947 4.470 0.000 0.000 0.273 480 S C -2.706 171.946 174.600 0.087 0.000 1.152 480 S CA -0.997 57.252 58.200 0.081 0.000 0.910 480 S CB 1.750 64.990 63.200 0.066 0.000 1.105 480 S HN 0.141 nan 8.310 nan 0.000 0.465 481 P HA 0.400 nan 4.420 nan 0.000 0.269 481 P C -1.256 176.040 177.300 -0.007 0.000 1.217 481 P CA 0.017 63.096 63.100 -0.037 0.000 0.783 481 P CB 0.201 31.806 31.700 -0.158 0.000 0.898 482 F N 0.547 120.330 119.950 -0.278 0.000 2.668 482 F HA 0.440 4.967 4.527 0.000 0.000 0.309 482 F C -1.629 173.926 175.800 -0.408 0.000 1.117 482 F CA -0.750 57.023 58.000 -0.380 0.000 0.951 482 F CB 1.222 39.986 39.000 -0.394 0.000 1.323 482 F HN 0.154 nan 8.300 nan 0.000 0.451 483 Y N 4.113 123.868 120.300 -0.909 0.000 2.402 483 Y HA 0.456 5.006 4.550 0.000 0.000 0.332 483 Y C -0.956 174.589 175.900 -0.592 0.000 0.960 483 Y CA -0.886 56.908 58.100 -0.510 0.000 1.228 483 Y CB 0.365 38.544 38.460 -0.468 0.000 1.120 483 Y HN 0.356 nan 8.280 nan 0.000 0.491 484 Y N 1.119 121.432 120.300 0.021 0.000 2.432 484 Y HA 0.380 4.930 4.550 0.000 0.000 0.322 484 Y C -0.144 175.751 175.900 -0.009 0.000 1.246 484 Y CA -1.012 57.104 58.100 0.026 0.000 1.268 484 Y CB 0.684 39.230 38.460 0.143 0.000 1.276 484 Y HN 0.394 nan 8.280 nan 0.000 0.499 485 Y N 0.403 120.841 120.300 0.229 0.000 2.295 485 Y HA 0.377 4.927 4.550 0.000 0.000 0.331 485 Y C 0.058 176.009 175.900 0.085 0.000 1.311 485 Y CA -1.114 57.044 58.100 0.096 0.000 1.430 485 Y CB 0.591 39.081 38.460 0.051 0.000 1.339 485 Y HN 0.438 nan 8.280 nan 0.000 0.552 486 Q N 0.388 120.295 119.800 0.178 0.000 2.495 486 Q HA 0.453 4.793 4.340 0.000 0.000 0.287 486 Q C -1.362 174.593 176.000 -0.075 0.000 1.078 486 Q CA -1.219 54.605 55.803 0.034 0.000 0.793 486 Q CB 2.568 31.298 28.738 -0.014 0.000 1.459 486 Q HN 0.332 nan 8.270 nan 0.000 0.422 487 I N 1.683 122.175 120.570 -0.131 0.000 2.556 487 I HA 0.018 4.188 4.170 0.000 0.000 0.284 487 I C 0.491 176.366 176.117 -0.404 0.000 1.114 487 I CA 0.309 61.480 61.300 -0.216 0.000 1.418 487 I CB 0.012 37.901 38.000 -0.185 0.000 1.394 487 I HN 0.613 nan 8.210 nan 0.000 0.552 488 E N 8.683 128.544 120.200 -0.564 0.000 2.694 488 E HA -0.084 4.266 4.350 0.000 0.000 0.250 488 E C -1.211 174.687 176.600 -1.169 0.000 0.963 488 E CA -0.797 54.940 56.400 -1.105 0.000 0.949 488 E CB 0.389 29.201 29.700 -1.481 0.000 0.911 488 E HN 0.422 nan 8.360 nan 0.000 0.500 489 P HA -0.214 nan 4.420 nan 0.000 0.216 489 P C 0.902 177.635 177.300 -0.945 0.000 1.154 489 P CA 1.638 64.109 63.100 -1.048 0.000 0.865 489 P CB -0.214 30.585 31.700 -1.501 0.000 0.789 490 W N 0.718 121.520 121.300 -0.831 0.000 2.632 490 W HA 0.120 4.780 4.660 0.000 0.000 0.248 490 W C 1.579 178.107 176.519 0.015 0.000 1.259 490 W CA 0.399 57.596 57.345 -0.248 0.000 1.288 490 W CB -1.356 28.161 29.460 0.095 0.000 1.136 490 W HN -0.059 nan 8.180 nan 0.000 0.640 491 K N 0.128 120.371 120.400 -0.262 0.000 2.334 491 K HA 0.063 4.383 4.320 0.000 0.000 0.195 491 K C 1.324 177.899 176.600 -0.040 0.000 1.045 491 K CA 1.361 57.600 56.287 -0.080 0.000 1.004 491 K CB 0.125 32.500 32.500 -0.209 0.000 0.837 491 K HN 0.230 nan 8.250 nan 0.000 0.510 492 T N -2.412 112.084 114.554 -0.098 0.000 3.252 492 T HA 0.114 4.464 4.350 0.000 0.000 0.286 492 T C -0.531 174.175 174.700 0.011 0.000 1.013 492 T CA -0.552 61.520 62.100 -0.048 0.000 0.914 492 T CB -0.249 68.560 68.868 -0.098 0.000 1.131 492 T HN 0.010 nan 8.240 nan 0.000 0.529 493 H N 1.284 120.331 119.070 -0.038 0.000 2.488 493 H HA 0.581 5.137 4.556 0.000 0.000 0.322 493 H C -0.423 174.906 175.328 0.003 0.000 1.078 493 H CA -1.240 54.780 56.048 -0.046 0.000 1.260 493 H CB 0.571 30.308 29.762 -0.042 0.000 1.425 493 H HN 0.306 nan 8.280 nan 0.000 0.471 494 I N 5.791 126.047 120.570 -0.522 0.000 2.308 494 I HA 0.034 4.204 4.170 0.000 0.000 0.293 494 I C -0.220 175.605 176.117 -0.487 0.000 1.078 494 I CA -0.446 60.677 61.300 -0.296 0.000 1.292 494 I CB 0.142 38.028 38.000 -0.190 0.000 1.423 494 I HN 0.490 nan 8.210 nan 0.000 0.493 495 W N 5.860 127.058 121.300 -0.169 0.000 2.193 495 W HA 0.137 4.797 4.660 0.000 0.000 0.338 495 W C 0.793 177.292 176.519 -0.035 0.000 1.310 495 W CA 0.033 57.362 57.345 -0.027 0.000 1.243 495 W CB 0.273 29.790 29.460 0.096 0.000 1.165 495 W HN 0.468 nan 8.180 nan 0.000 0.566 496 Q N 0.000 119.924 119.800 0.206 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.881 55.803 0.130 0.000 1.022 496 Q CB 0.000 28.789 28.738 0.084 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481