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 3l0y_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYLLPEAKAQ DSDKICVVID LAETLVHSSF KPVNNADFII PVEIDGVVHQ DATA SEQUENCE VYVLKRPHVD EFLQRMGELF ECVLFTASLA KYADPVADLL DKWGAFRARL DATA SEQUENCE FRESCVFHRG NYVKDLSRLG RDLRRVLILD NSPASYVFHP DNAVPVASWF DATA SEQUENCE DNMSDTELHD LLPFFEQLSR VDDVYSVLR 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 0.000 175.927 176.000 -0.121 0.000 1.003 77 Q CA 0.000 55.733 55.803 -0.116 0.000 1.022 77 Q CB 0.000 28.716 28.738 -0.037 0.000 1.108 78 Y N 2.704 123.012 120.300 0.013 0.000 2.459 78 Y HA 0.021 4.572 4.550 0.001 0.000 0.349 78 Y C 1.467 177.363 175.900 -0.006 0.000 1.266 78 Y CA 0.377 58.483 58.100 0.011 0.000 1.483 78 Y CB 0.550 39.014 38.460 0.008 0.000 1.362 78 Y HN 0.682 nan 8.280 nan 0.000 0.628 79 L N 0.580 121.905 121.223 0.170 0.000 2.141 79 L HA -0.075 4.266 4.340 0.002 0.000 0.209 79 L C 0.110 176.973 176.870 -0.012 0.000 1.094 79 L CA 0.940 55.799 54.840 0.031 0.000 0.763 79 L CB -0.319 41.715 42.059 -0.041 0.000 0.908 79 L HN 0.400 nan 8.230 nan 0.000 0.437 80 L N 0.062 121.296 121.223 0.018 0.000 2.325 80 L HA 0.403 4.744 4.340 0.002 0.000 0.278 80 L C -1.948 174.934 176.870 0.020 0.000 1.023 80 L CA -2.093 52.739 54.840 -0.014 0.000 0.811 80 L CB 1.080 43.113 42.059 -0.043 0.000 1.249 80 L HN -0.162 nan 8.230 nan 0.000 0.431 81 P HA 0.067 nan 4.420 nan 0.000 0.274 81 P C -0.658 176.644 177.300 0.002 0.000 1.260 81 P CA -0.491 62.619 63.100 0.016 0.000 0.793 81 P CB 0.560 32.264 31.700 0.007 0.000 1.048 82 E N -0.522 119.681 120.200 0.005 0.000 2.452 82 E HA 0.235 4.586 4.350 0.002 0.000 0.261 82 E C 0.213 176.805 176.600 -0.014 0.000 0.987 82 E CA -0.092 56.303 56.400 -0.009 0.000 0.926 82 E CB 0.101 29.800 29.700 -0.001 0.000 0.934 82 E HN 0.450 nan 8.360 nan 0.000 0.452 83 A N 4.104 126.910 122.820 -0.024 0.000 2.540 83 A HA -0.019 4.302 4.320 0.002 0.000 0.239 83 A C 0.035 177.611 177.584 -0.013 0.000 1.061 83 A CA 0.206 52.231 52.037 -0.020 0.000 0.758 83 A CB 0.184 19.169 19.000 -0.024 0.000 0.991 83 A HN 0.550 nan 8.150 nan 0.000 0.502 84 K N 1.563 121.957 120.400 -0.010 0.000 2.319 84 K HA 0.305 4.627 4.320 0.002 0.000 0.265 84 K C 1.492 178.085 176.600 -0.011 0.000 1.000 84 K CA 0.347 56.629 56.287 -0.008 0.000 0.943 84 K CB 0.602 33.099 32.500 -0.005 0.000 0.950 84 K HN 0.766 nan 8.250 nan 0.000 0.485 85 A N 2.236 125.049 122.820 -0.011 0.000 1.917 85 A HA -0.235 4.086 4.320 0.002 0.000 0.219 85 A C 1.856 179.430 177.584 -0.017 0.000 1.182 85 A CA 1.722 53.751 52.037 -0.014 0.000 0.633 85 A CB -0.559 18.434 19.000 -0.012 0.000 0.819 85 A HN 0.856 nan 8.150 nan 0.000 0.448 86 Q N -1.071 118.719 119.800 -0.017 0.000 2.488 86 Q HA -0.113 4.228 4.340 0.002 0.000 0.211 86 Q C -0.005 175.980 176.000 -0.025 0.000 0.967 86 Q CA 1.499 57.289 55.803 -0.022 0.000 0.926 86 Q CB -0.199 28.528 28.738 -0.020 0.000 0.992 86 Q HN 0.647 nan 8.270 nan 0.000 0.506 87 D N 0.622 121.011 120.400 -0.019 0.000 2.473 87 D HA 0.008 4.649 4.640 0.002 0.000 0.230 87 D C 1.737 178.027 176.300 -0.017 0.000 1.097 87 D CA 0.950 54.941 54.000 -0.016 0.000 0.861 87 D CB 0.399 41.195 40.800 -0.007 0.000 1.114 87 D HN 0.338 nan 8.370 nan 0.000 0.500 88 S N 0.727 116.415 115.700 -0.019 0.000 2.442 88 S HA -0.129 4.342 4.470 0.002 0.000 0.236 88 S C 1.195 175.781 174.600 -0.023 0.000 1.007 88 S CA 0.955 59.142 58.200 -0.021 0.000 0.965 88 S CB -0.029 63.158 63.200 -0.022 0.000 0.773 88 S HN -0.015 nan 8.310 nan 0.000 0.504 89 D N 1.312 121.696 120.400 -0.026 0.000 2.339 89 D HA 0.188 4.829 4.640 0.002 0.000 0.217 89 D C 0.322 176.602 176.300 -0.033 0.000 1.050 89 D CA 0.320 54.302 54.000 -0.030 0.000 0.856 89 D CB 0.162 40.941 40.800 -0.035 0.000 0.922 89 D HN 0.552 nan 8.370 nan 0.000 0.518 90 K N 0.573 120.957 120.400 -0.027 0.000 2.098 90 K HA 0.361 4.682 4.320 0.002 0.000 0.257 90 K C 0.513 177.136 176.600 0.039 0.000 0.999 90 K CA -0.688 55.588 56.287 -0.018 0.000 0.924 90 K CB 1.798 34.280 32.500 -0.030 0.000 1.028 90 K HN -0.115 nan 8.250 nan 0.000 0.466 91 I N 1.105 121.744 120.570 0.113 0.000 2.692 91 I HA -0.082 4.089 4.170 0.002 0.000 0.284 91 I C 0.489 176.734 176.117 0.214 0.000 1.159 91 I CA -0.272 61.141 61.300 0.188 0.000 1.423 91 I CB 0.574 38.757 38.000 0.306 0.000 1.380 91 I HN 0.568 nan 8.210 nan 0.000 0.580 92 C N 7.700 127.039 119.300 0.064 0.000 2.347 92 C HA 0.556 5.017 4.460 0.002 0.000 0.353 92 C C 0.021 174.966 174.990 -0.075 0.000 1.273 92 C CA -0.336 58.691 59.018 0.015 0.000 1.861 92 C CB -0.404 27.328 27.740 -0.013 0.000 2.420 92 C HN 0.515 nan 8.230 nan 0.000 0.542 93 V N 7.485 127.320 119.914 -0.132 0.000 2.409 93 V HA 0.359 4.480 4.120 0.002 0.000 0.291 93 V C 0.002 176.060 176.094 -0.061 0.000 1.020 93 V CA -0.537 61.628 62.300 -0.225 0.000 0.848 93 V CB 1.478 32.946 31.823 -0.592 0.000 0.990 93 V HN 0.707 nan 8.190 nan 0.000 0.430 94 V N 6.728 126.642 119.914 -0.000 0.000 2.432 94 V HA 0.411 4.532 4.120 0.002 0.000 0.271 94 V C 0.009 176.163 176.094 0.100 0.000 1.046 94 V CA -0.003 62.356 62.300 0.099 0.000 0.945 94 V CB 1.120 33.042 31.823 0.164 0.000 0.992 94 V HN 0.651 nan 8.190 nan 0.000 0.471 95 I N 4.066 124.720 120.570 0.141 0.000 2.406 95 I HA 0.368 4.539 4.170 0.002 0.000 0.290 95 I C -0.244 175.952 176.117 0.131 0.000 0.999 95 I CA -0.616 60.784 61.300 0.165 0.000 1.124 95 I CB 1.943 40.117 38.000 0.291 0.000 1.289 95 I HN 0.514 nan 8.210 nan 0.000 0.441 96 D N 3.946 124.417 120.400 0.117 0.000 2.339 96 D HA 0.216 4.857 4.640 0.002 0.000 0.245 96 D C 0.219 176.575 176.300 0.092 0.000 1.115 96 D CA -0.172 53.880 54.000 0.085 0.000 0.917 96 D CB 1.555 42.401 40.800 0.077 0.000 1.192 96 D HN 0.345 nan 8.370 nan 0.000 0.428 97 L N 3.078 124.344 121.223 0.072 0.000 2.327 97 L HA 0.470 4.811 4.340 0.002 0.000 0.192 97 L C 0.484 177.416 176.870 0.103 0.000 1.158 97 L CA 0.662 55.558 54.840 0.093 0.000 0.813 97 L CB -0.995 41.107 42.059 0.071 0.000 1.021 97 L HN 0.517 nan 8.230 nan 0.000 0.481 98 A N 0.164 123.035 122.820 0.084 0.000 2.524 98 A HA 0.282 4.603 4.320 0.002 0.000 0.250 98 A C 0.634 178.267 177.584 0.082 0.000 1.078 98 A CA 0.522 52.614 52.037 0.092 0.000 0.761 98 A CB -0.402 18.631 19.000 0.055 0.000 1.012 98 A HN 0.612 nan 8.150 nan 0.000 0.500 99 E N 0.602 120.864 120.200 0.102 0.000 3.799 99 E HA -0.192 4.159 4.350 0.002 0.000 0.320 99 E C 1.009 177.625 176.600 0.027 0.000 0.760 99 E CA 2.184 58.569 56.400 -0.026 0.000 1.153 99 E CB -2.050 27.524 29.700 -0.211 0.000 1.589 99 E HN 0.752 nan 8.360 nan 0.000 0.448 100 T N -1.254 113.340 114.554 0.067 0.000 3.053 100 T HA 0.274 4.625 4.350 0.002 0.000 0.236 100 T C 1.654 176.357 174.700 0.005 0.000 0.996 100 T CA 0.976 63.103 62.100 0.044 0.000 1.185 100 T CB 0.156 69.063 68.868 0.064 0.000 0.892 100 T HN 0.083 nan 8.240 nan 0.000 0.432 101 L N 0.891 122.146 121.223 0.053 0.000 2.467 101 L HA 0.385 4.726 4.340 0.002 0.000 0.213 101 L C 0.552 177.448 176.870 0.043 0.000 1.053 101 L CA -0.026 54.831 54.840 0.028 0.000 0.847 101 L CB 0.530 42.679 42.059 0.150 0.000 1.075 101 L HN 0.164 nan 8.230 nan 0.000 0.479 102 V N -3.614 116.405 119.914 0.174 0.000 3.160 102 V HA 0.581 4.702 4.120 0.002 0.000 0.310 102 V C -1.526 174.823 176.094 0.424 0.000 1.181 102 V CA -0.789 61.686 62.300 0.291 0.000 1.047 102 V CB 2.209 34.196 31.823 0.272 0.000 1.068 102 V HN 0.154 nan 8.190 nan 0.000 0.441 103 H N 0.272 119.558 119.070 0.360 0.000 2.840 103 H HA 0.791 5.348 4.556 0.002 0.000 0.340 103 H C -0.828 174.585 175.328 0.142 0.000 1.004 103 H CA 0.083 56.239 56.048 0.181 0.000 1.288 103 H CB 1.837 31.625 29.762 0.044 0.000 1.607 103 H HN 0.933 nan 8.280 nan 0.000 0.522 104 S N 2.945 118.400 115.700 -0.410 0.000 2.549 104 S HA 0.667 5.138 4.470 0.002 0.000 0.297 104 S C -0.780 173.516 174.600 -0.506 0.000 1.115 104 S CA -0.738 57.270 58.200 -0.320 0.000 1.059 104 S CB 1.591 64.683 63.200 -0.180 0.000 1.046 104 S HN 0.610 nan 8.310 nan 0.000 0.506 105 S N 0.157 115.691 115.700 -0.275 0.000 2.541 105 S HA 0.561 5.032 4.470 0.002 0.000 0.271 105 S C -0.485 174.078 174.600 -0.063 0.000 1.133 105 S CA -0.598 57.506 58.200 -0.162 0.000 0.876 105 S CB 0.456 63.624 63.200 -0.053 0.000 1.105 105 S HN 0.527 nan 8.310 nan 0.000 0.470 106 F N 1.930 121.938 119.950 0.096 0.000 2.615 106 F HA 0.311 4.839 4.527 0.002 0.000 0.297 106 F C 1.193 177.052 175.800 0.099 0.000 1.124 106 F CA 0.324 58.413 58.000 0.148 0.000 1.451 106 F CB 0.130 39.168 39.000 0.064 0.000 1.103 106 F HN 0.274 nan 8.300 nan 0.000 0.569 107 K N 1.708 122.198 120.400 0.151 0.000 2.249 107 K HA 0.197 4.518 4.320 0.002 0.000 0.280 107 K C -2.450 173.945 176.600 -0.343 0.000 1.033 107 K CA -1.905 54.363 56.287 -0.031 0.000 0.946 107 K CB 0.080 32.571 32.500 -0.016 0.000 1.005 107 K HN -0.203 nan 8.250 nan 0.000 0.469 108 P HA -0.013 nan 4.420 nan 0.000 0.264 108 P C -0.906 176.012 177.300 -0.636 0.000 1.193 108 P CA -0.154 62.287 63.100 -1.099 0.000 0.763 108 P CB 0.577 31.973 31.700 -0.506 0.000 0.810 109 V N 3.696 123.238 119.914 -0.620 0.000 2.487 109 V HA 0.277 4.398 4.120 0.002 0.000 0.298 109 V C 0.345 176.438 176.094 -0.002 0.000 1.028 109 V CA -0.796 61.420 62.300 -0.140 0.000 0.860 109 V CB 1.606 33.441 31.823 0.021 0.000 0.991 109 V HN 0.467 nan 8.190 nan 0.000 0.427 110 N N 3.900 122.599 118.700 -0.002 0.000 2.513 110 N HA 0.100 4.841 4.740 0.002 0.000 0.268 110 N C 0.576 176.117 175.510 0.052 0.000 1.180 110 N CA 0.564 53.635 53.050 0.034 0.000 0.948 110 N CB 0.059 38.555 38.487 0.014 0.000 1.083 110 N HN 0.733 nan 8.380 nan 0.000 0.455 111 N N 0.573 119.309 118.700 0.060 0.000 2.725 111 N HA -0.209 4.532 4.740 0.002 0.000 0.251 111 N C -1.295 174.245 175.510 0.049 0.000 1.031 111 N CA 0.823 53.901 53.050 0.048 0.000 0.720 111 N CB -1.173 37.334 38.487 0.033 0.000 0.930 111 N HN 0.663 nan 8.380 nan 0.000 0.543 112 A N -0.191 122.678 122.820 0.081 0.000 2.366 112 A HA 0.206 4.527 4.320 0.002 0.000 0.249 112 A C 1.212 178.771 177.584 -0.041 0.000 1.084 112 A CA 0.370 52.447 52.037 0.066 0.000 0.794 112 A CB 0.332 19.429 19.000 0.162 0.000 1.034 112 A HN 0.445 nan 8.150 nan 0.000 0.491 113 D N -0.416 119.876 120.400 -0.181 0.000 2.137 113 D HA 0.079 4.720 4.640 0.002 0.000 0.202 113 D C -0.423 175.565 176.300 -0.520 0.000 0.970 113 D CA 1.543 55.266 54.000 -0.462 0.000 0.837 113 D CB 0.025 40.366 40.800 -0.765 0.000 0.981 113 D HN 0.466 nan 8.370 nan 0.000 0.475 114 F N -0.215 119.763 119.950 0.046 0.000 2.599 114 F HA 0.511 5.039 4.527 0.002 0.000 0.311 114 F C -0.220 175.555 175.800 -0.043 0.000 1.076 114 F CA -1.047 56.955 58.000 0.005 0.000 0.937 114 F CB 1.662 40.665 39.000 0.006 0.000 1.282 114 F HN -0.350 nan 8.300 nan 0.000 0.460 115 I N 3.298 123.922 120.570 0.089 0.000 2.447 115 I HA 0.455 4.626 4.170 0.002 0.000 0.287 115 I C -1.180 174.888 176.117 -0.081 0.000 1.023 115 I CA -0.429 60.795 61.300 -0.127 0.000 1.083 115 I CB 1.887 39.723 38.000 -0.272 0.000 1.245 115 I HN 0.432 nan 8.210 nan 0.000 0.434 116 I N 8.515 129.026 120.570 -0.098 0.000 2.389 116 I HA 0.350 4.521 4.170 0.002 0.000 0.288 116 I C -2.262 173.809 176.117 -0.076 0.000 0.999 116 I CA -1.917 59.342 61.300 -0.069 0.000 1.129 116 I CB 1.920 39.894 38.000 -0.043 0.000 1.288 116 I HN 0.281 nan 8.210 nan 0.000 0.444 117 P HA 0.144 nan 4.420 nan 0.000 0.276 117 P C -0.820 176.453 177.300 -0.046 0.000 1.253 117 P CA -0.071 63.003 63.100 -0.043 0.000 0.766 117 P CB 1.071 32.742 31.700 -0.048 0.000 0.845 118 V N 4.079 123.992 119.914 -0.002 0.000 2.487 118 V HA 0.262 4.383 4.120 0.002 0.000 0.298 118 V C 0.462 176.568 176.094 0.021 0.000 1.028 118 V CA -0.686 61.587 62.300 -0.046 0.000 0.860 118 V CB 1.807 33.556 31.823 -0.122 0.000 0.991 118 V HN 0.505 nan 8.190 nan 0.000 0.427 119 E N 4.656 124.829 120.200 -0.045 0.000 2.152 119 E HA 0.506 4.857 4.350 0.002 0.000 0.285 119 E C -1.202 175.408 176.600 0.017 0.000 1.043 119 E CA -0.336 56.050 56.400 -0.023 0.000 0.839 119 E CB 0.807 30.475 29.700 -0.053 0.000 1.069 119 E HN 0.599 nan 8.360 nan 0.000 0.399 120 I N 4.436 125.067 120.570 0.102 0.000 2.410 120 I HA 0.146 4.317 4.170 0.002 0.000 0.286 120 I C -0.602 175.567 176.117 0.086 0.000 1.009 120 I CA -0.684 60.690 61.300 0.123 0.000 1.111 120 I CB 1.649 39.777 38.000 0.213 0.000 1.262 120 I HN 0.539 nan 8.210 nan 0.000 0.443 121 D N 5.365 125.790 120.400 0.042 0.000 2.689 121 D HA -0.195 4.446 4.640 0.002 0.000 0.237 121 D C 1.196 177.502 176.300 0.010 0.000 1.148 121 D CA 1.558 55.573 54.000 0.025 0.000 0.656 121 D CB -0.969 39.851 40.800 0.033 0.000 1.050 121 D HN 1.169 nan 8.370 nan 0.000 0.426 122 G N -2.150 106.646 108.800 -0.006 0.000 2.189 122 G HA2 -0.325 3.636 3.960 0.002 0.000 0.267 122 G HA3 -0.325 3.636 3.960 0.002 0.000 0.267 122 G C 0.379 175.250 174.900 -0.047 0.000 0.975 122 G CA 0.459 45.544 45.100 -0.024 0.000 0.644 122 G HN 0.641 nan 8.290 nan 0.000 0.537 123 V N 1.037 120.913 119.914 -0.063 0.000 2.459 123 V HA 0.574 4.695 4.120 0.002 0.000 0.295 123 V C 0.678 176.590 176.094 -0.303 0.000 1.029 123 V CA -0.860 61.339 62.300 -0.169 0.000 0.874 123 V CB 1.950 33.672 31.823 -0.170 0.000 0.985 123 V HN 0.230 nan 8.190 nan 0.000 0.438 124 V N 5.465 125.205 119.914 -0.289 0.000 2.488 124 V HA 0.334 4.455 4.120 0.002 0.000 0.277 124 V C -0.085 175.789 176.094 -0.366 0.000 1.046 124 V CA -0.302 61.859 62.300 -0.231 0.000 0.986 124 V CB 0.376 32.132 31.823 -0.111 0.000 0.989 124 V HN 0.789 nan 8.190 nan 0.000 0.475 125 H N 3.811 122.941 119.070 0.100 0.000 2.538 125 H HA 0.407 4.964 4.556 0.002 0.000 0.353 125 H C -0.634 174.803 175.328 0.182 0.000 1.109 125 H CA -0.861 55.298 56.048 0.184 0.000 1.192 125 H CB 1.980 31.921 29.762 0.298 0.000 1.555 125 H HN 0.546 nan 8.280 nan 0.000 0.518 126 Q N 2.223 122.188 119.800 0.276 0.000 2.296 126 Q HA 0.218 4.559 4.340 0.002 0.000 0.262 126 Q C -0.068 175.971 176.000 0.066 0.000 0.981 126 Q CA -0.408 55.430 55.803 0.059 0.000 0.905 126 Q CB 1.737 30.425 28.738 -0.084 0.000 1.186 126 Q HN 0.300 nan 8.270 nan 0.000 0.399 127 V N 4.453 124.306 119.914 -0.100 0.000 2.370 127 V HA 0.209 4.330 4.120 0.002 0.000 0.279 127 V C -0.777 175.210 176.094 -0.180 0.000 1.029 127 V CA -0.678 61.543 62.300 -0.132 0.000 0.870 127 V CB 0.378 32.102 31.823 -0.165 0.000 0.984 127 V HN 0.549 nan 8.190 nan 0.000 0.451 128 Y N 3.886 124.158 120.300 -0.046 0.000 2.404 128 Y HA 0.497 5.048 4.550 0.002 0.000 0.344 128 Y C 0.206 176.098 175.900 -0.014 0.000 0.970 128 Y CA -0.719 57.380 58.100 -0.002 0.000 1.180 128 Y CB 1.278 39.743 38.460 0.008 0.000 1.138 128 Y HN 0.374 nan 8.280 nan 0.000 0.510 129 V N 5.822 125.818 119.914 0.136 0.000 2.370 129 V HA 0.374 4.495 4.120 0.002 0.000 0.283 129 V C -0.058 176.087 176.094 0.084 0.000 1.023 129 V CA -0.952 61.432 62.300 0.140 0.000 0.857 129 V CB 1.232 33.228 31.823 0.288 0.000 0.985 129 V HN 0.597 nan 8.190 nan 0.000 0.443 130 L N 4.682 126.002 121.223 0.161 0.000 2.309 130 L HA 0.548 4.889 4.340 0.002 0.000 0.282 130 L C 0.159 177.207 176.870 0.297 0.000 1.036 130 L CA -0.622 54.351 54.840 0.222 0.000 0.806 130 L CB 1.660 43.936 42.059 0.361 0.000 1.220 130 L HN 0.556 nan 8.230 nan 0.000 0.429 131 K N 2.788 123.244 120.400 0.094 0.000 2.201 131 K HA 0.342 4.663 4.320 0.002 0.000 0.278 131 K C -0.252 176.132 176.600 -0.361 0.000 1.027 131 K CA -0.663 55.599 56.287 -0.041 0.000 0.909 131 K CB 1.388 33.834 32.500 -0.091 0.000 1.062 131 K HN 0.409 nan 8.250 nan 0.000 0.465 132 R N 3.368 123.412 120.500 -0.759 0.000 2.623 132 R HA 0.051 4.392 4.340 0.002 0.000 0.271 132 R C -2.243 173.631 176.300 -0.711 0.000 1.043 132 R CA -1.252 53.976 56.100 -1.453 0.000 1.083 132 R CB 0.268 29.863 30.300 -1.176 0.000 0.974 132 R HN 0.302 nan 8.270 nan 0.000 0.436 133 P HA -0.029 nan 4.420 nan 0.000 0.265 133 P C -1.012 176.099 177.300 -0.315 0.000 1.187 133 P CA 0.633 63.471 63.100 -0.436 0.000 0.766 133 P CB 0.314 31.791 31.700 -0.371 0.000 0.820 134 H N -1.580 117.443 119.070 -0.079 0.000 3.080 134 H HA -0.162 4.395 4.556 0.002 0.000 0.254 134 H C 1.022 176.369 175.328 0.032 0.000 1.179 134 H CA 0.494 56.544 56.048 0.004 0.000 1.144 134 H CB -2.141 27.658 29.762 0.062 0.000 1.261 134 H HN 0.198 nan 8.280 nan 0.000 0.333 135 V N 0.257 120.201 119.914 0.049 0.000 2.453 135 V HA -0.186 3.935 4.120 0.002 0.000 0.247 135 V C 1.911 178.113 176.094 0.180 0.000 1.048 135 V CA 2.451 64.811 62.300 0.101 0.000 1.049 135 V CB 0.010 31.854 31.823 0.035 0.000 0.672 135 V HN 0.458 nan 8.190 nan 0.000 0.457 136 D N -0.339 120.172 120.400 0.185 0.000 2.097 136 D HA -0.201 4.440 4.640 0.002 0.000 0.197 136 D C 2.053 178.272 176.300 -0.135 0.000 0.984 136 D CA 1.705 55.853 54.000 0.247 0.000 0.826 136 D CB -0.171 40.868 40.800 0.398 0.000 0.973 136 D HN 0.636 nan 8.370 nan 0.000 0.460 137 E N -0.102 120.090 120.200 -0.013 0.000 2.051 137 E HA -0.186 4.165 4.350 0.002 0.000 0.192 137 E C 2.108 178.627 176.600 -0.134 0.000 0.991 137 E CA 0.584 56.935 56.400 -0.081 0.000 0.799 137 E CB -0.190 29.553 29.700 0.073 0.000 0.748 137 E HN 0.177 nan 8.360 nan 0.000 0.449 138 F N 0.844 120.714 119.950 -0.134 0.000 2.095 138 F HA -0.223 4.305 4.527 0.002 0.000 0.298 138 F C 2.097 177.755 175.800 -0.238 0.000 1.104 138 F CA 1.173 59.090 58.000 -0.139 0.000 1.232 138 F CB -0.232 38.733 39.000 -0.060 0.000 0.987 138 F HN 0.100 nan 8.300 nan 0.000 0.475 139 L N 0.633 121.749 121.223 -0.179 0.000 2.072 139 L HA -0.174 4.167 4.340 0.002 0.000 0.205 139 L C 2.588 179.094 176.870 -0.606 0.000 1.079 139 L CA 1.730 56.373 54.840 -0.328 0.000 0.752 139 L CB -1.286 40.731 42.059 -0.069 0.000 0.906 139 L HN 0.336 nan 8.230 nan 0.000 0.436 140 Q N -0.042 119.140 119.800 -1.030 0.000 2.045 140 Q HA -0.304 4.037 4.340 0.002 0.000 0.206 140 Q C 2.385 178.015 176.000 -0.618 0.000 0.991 140 Q CA 2.177 57.274 55.803 -1.177 0.000 0.851 140 Q CB -0.268 27.591 28.738 -1.466 0.000 0.911 140 Q HN 0.325 nan 8.270 nan 0.000 0.418 141 R N -0.185 120.007 120.500 -0.513 0.000 2.092 141 R HA 0.004 4.345 4.340 0.002 0.000 0.231 141 R C 2.416 178.485 176.300 -0.386 0.000 1.119 141 R CA 1.673 57.541 56.100 -0.387 0.000 0.970 141 R CB -0.380 29.728 30.300 -0.320 0.000 0.864 141 R HN 0.323 nan 8.270 nan 0.000 0.440 142 M N -0.772 118.533 119.600 -0.492 0.000 2.159 142 M HA 0.036 4.517 4.480 0.002 0.000 0.263 142 M C 2.145 178.317 176.300 -0.213 0.000 1.063 142 M CA 1.736 56.814 55.300 -0.371 0.000 1.110 142 M CB -1.285 30.937 32.600 -0.631 0.000 1.374 142 M HN 0.378 nan 8.290 nan 0.000 0.411 143 G N 0.033 108.670 108.800 -0.272 0.000 2.470 143 G HA2 -0.192 3.769 3.960 0.002 0.000 0.220 143 G HA3 -0.192 3.769 3.960 0.002 0.000 0.220 143 G C 1.549 176.362 174.900 -0.145 0.000 1.121 143 G CA 0.639 45.631 45.100 -0.180 0.000 0.766 143 G HN 0.524 nan 8.290 nan 0.000 0.553 144 E N -0.302 119.780 120.200 -0.196 0.000 2.060 144 E HA 0.113 4.464 4.350 0.002 0.000 0.189 144 E C 2.501 178.959 176.600 -0.236 0.000 0.974 144 E CA 0.137 56.425 56.400 -0.187 0.000 0.808 144 E CB -0.093 29.488 29.700 -0.198 0.000 0.768 144 E HN 0.339 nan 8.360 nan 0.000 0.453 145 L N -0.073 120.945 121.223 -0.343 0.000 2.141 145 L HA -0.023 4.318 4.340 0.002 0.000 0.209 145 L C 0.252 176.665 176.870 -0.762 0.000 1.094 145 L CA 0.649 55.117 54.840 -0.621 0.000 0.763 145 L CB 0.068 41.598 42.059 -0.881 0.000 0.908 145 L HN 0.000 nan 8.230 nan 0.000 0.437 146 F N -1.845 118.016 119.950 -0.148 0.000 2.629 146 F HA 0.289 4.817 4.527 0.001 0.000 0.316 146 F C 0.294 176.036 175.800 -0.098 0.000 1.081 146 F CA -1.364 56.565 58.000 -0.119 0.000 0.954 146 F CB 1.124 40.039 39.000 -0.142 0.000 1.337 146 F HN -0.286 nan 8.300 nan 0.000 0.474 147 E N 1.535 121.828 120.200 0.155 0.000 2.003 147 E HA 0.265 4.616 4.350 0.002 0.000 0.279 147 E C -1.244 175.403 176.600 0.079 0.000 1.132 147 E CA -0.186 56.260 56.400 0.077 0.000 0.888 147 E CB 0.289 30.014 29.700 0.042 0.000 1.056 147 E HN 0.566 nan 8.360 nan 0.000 0.399 148 C N 4.370 123.713 119.300 0.071 0.000 2.435 148 C HA 0.401 4.862 4.460 0.002 0.000 0.375 148 C C -0.026 175.064 174.990 0.167 0.000 1.281 148 C CA -0.732 58.339 59.018 0.089 0.000 1.963 148 C CB 0.231 27.992 27.740 0.035 0.000 2.490 148 C HN 0.476 nan 8.230 nan 0.000 0.557 149 V N 5.161 125.173 119.914 0.163 0.000 2.483 149 V HA 0.311 4.432 4.120 0.002 0.000 0.297 149 V C -0.250 175.889 176.094 0.074 0.000 1.027 149 V CA -0.513 61.844 62.300 0.095 0.000 0.855 149 V CB 1.550 33.374 31.823 0.003 0.000 0.995 149 V HN 0.684 nan 8.190 nan 0.000 0.424 150 L N 5.699 126.833 121.223 -0.149 0.000 2.361 150 L HA 0.478 4.819 4.340 0.002 0.000 0.278 150 L C -0.995 175.736 176.870 -0.232 0.000 1.113 150 L CA 0.526 55.108 54.840 -0.430 0.000 0.849 150 L CB 0.271 41.733 42.059 -0.996 0.000 1.155 150 L HN 0.549 nan 8.230 nan 0.000 0.452 151 F N 4.751 124.565 119.950 -0.226 0.000 2.610 151 F HA 0.435 4.963 4.527 0.001 0.000 0.355 151 F C -0.216 175.524 175.800 -0.101 0.000 1.140 151 F CA -0.535 57.364 58.000 -0.167 0.000 1.037 151 F CB 1.244 40.197 39.000 -0.078 0.000 1.287 151 F HN 0.508 nan 8.300 nan 0.000 0.457 152 T N 2.841 117.552 114.554 0.262 0.000 2.940 152 T HA 0.679 5.030 4.350 0.002 0.000 0.288 152 T C 0.767 175.566 174.700 0.164 0.000 1.033 152 T CA 0.156 62.351 62.100 0.159 0.000 1.033 152 T CB 1.699 70.652 68.868 0.142 0.000 1.079 152 T HN 0.600 nan 8.240 nan 0.000 0.496 153 A N 2.233 125.063 122.820 0.016 0.000 2.218 153 A HA 0.318 4.639 4.320 0.002 0.000 0.209 153 A C 1.294 178.745 177.584 -0.222 0.000 1.168 153 A CA 0.450 52.393 52.037 -0.157 0.000 0.804 153 A CB -0.446 18.371 19.000 -0.305 0.000 0.834 153 A HN 0.851 nan 8.150 nan 0.000 0.482 154 S N -0.681 114.992 115.700 -0.045 0.000 2.669 154 S HA 0.646 5.117 4.470 0.002 0.000 0.270 154 S C -0.083 174.586 174.600 0.115 0.000 1.225 154 S CA -0.698 57.495 58.200 -0.013 0.000 0.991 154 S CB 0.434 63.626 63.200 -0.013 0.000 0.987 154 S HN 0.244 nan 8.310 nan 0.000 0.552 155 L N 1.788 123.103 121.223 0.154 0.000 2.397 155 L HA 0.356 4.697 4.340 0.002 0.000 0.271 155 L C 1.873 178.688 176.870 -0.092 0.000 1.148 155 L CA -0.260 54.625 54.840 0.076 0.000 0.825 155 L CB 0.370 42.498 42.059 0.114 0.000 1.117 155 L HN 1.022 nan 8.230 nan 0.000 0.456 156 A N 3.253 125.761 122.820 -0.520 0.000 2.009 156 A HA -0.253 4.068 4.320 0.002 0.000 0.222 156 A C 2.078 179.372 177.584 -0.483 0.000 1.175 156 A CA 2.315 53.720 52.037 -1.053 0.000 0.651 156 A CB -0.628 17.642 19.000 -1.218 0.000 0.815 156 A HN 0.923 nan 8.150 nan 0.000 0.459 157 K N -2.285 117.916 120.400 -0.331 0.000 2.366 157 K HA -0.051 4.270 4.320 0.002 0.000 0.198 157 K C 1.461 177.850 176.600 -0.351 0.000 1.044 157 K CA 1.203 57.295 56.287 -0.325 0.000 0.973 157 K CB -0.327 31.970 32.500 -0.339 0.000 0.767 157 K HN 0.497 nan 8.250 nan 0.000 0.475 158 Y N 1.324 121.560 120.300 -0.107 0.000 2.230 158 Y HA 0.158 4.709 4.550 0.002 0.000 0.294 158 Y C 2.849 178.715 175.900 -0.056 0.000 1.120 158 Y CA 0.940 58.998 58.100 -0.071 0.000 1.129 158 Y CB -0.461 37.968 38.460 -0.051 0.000 1.040 158 Y HN 0.128 nan 8.280 nan 0.000 0.519 159 A N 0.146 123.045 122.820 0.132 0.000 1.855 159 A HA -0.177 4.144 4.320 0.002 0.000 0.215 159 A C 1.878 179.529 177.584 0.110 0.000 1.191 159 A CA 1.960 54.091 52.037 0.158 0.000 0.613 159 A CB -0.887 18.318 19.000 0.341 0.000 0.829 159 A HN 0.350 nan 8.150 nan 0.000 0.442 160 D N -0.232 120.186 120.400 0.029 0.000 2.126 160 D HA -0.128 4.513 4.640 0.002 0.000 0.190 160 D C -0.438 175.850 176.300 -0.019 0.000 1.001 160 D CA 2.011 56.023 54.000 0.020 0.000 0.841 160 D CB -1.361 39.388 40.800 -0.086 0.000 0.949 160 D HN 0.318 nan 8.370 nan 0.000 0.446 161 P HA -0.044 nan 4.420 nan 0.000 0.221 161 P C 1.733 178.955 177.300 -0.130 0.000 1.150 161 P CA 0.539 63.584 63.100 -0.092 0.000 0.800 161 P CB 0.156 31.797 31.700 -0.098 0.000 0.787 162 V N 0.436 120.302 119.914 -0.080 0.000 2.307 162 V HA -0.206 3.915 4.120 0.002 0.000 0.245 162 V C 2.543 178.577 176.094 -0.100 0.000 1.045 162 V CA 2.171 64.406 62.300 -0.109 0.000 1.024 162 V CB -1.727 30.125 31.823 0.047 0.000 0.651 162 V HN 0.091 nan 8.190 nan 0.000 0.449 163 A N 0.036 122.863 122.820 0.011 0.000 1.908 163 A HA -0.273 4.048 4.320 0.002 0.000 0.218 163 A C 1.971 179.592 177.584 0.062 0.000 1.181 163 A CA 2.090 54.190 52.037 0.104 0.000 0.627 163 A CB -0.707 18.340 19.000 0.079 0.000 0.818 163 A HN 0.534 nan 8.150 nan 0.000 0.445 164 D N 0.035 120.421 120.400 -0.023 0.000 2.133 164 D HA -0.152 4.489 4.640 0.002 0.000 0.195 164 D C 1.828 178.039 176.300 -0.148 0.000 0.997 164 D CA 1.233 55.194 54.000 -0.066 0.000 0.840 164 D CB -0.326 40.424 40.800 -0.083 0.000 0.947 164 D HN 0.469 nan 8.370 nan 0.000 0.452 165 L N -0.056 120.994 121.223 -0.288 0.000 2.240 165 L HA 0.015 4.357 4.340 0.002 0.000 0.211 165 L C 2.387 179.046 176.870 -0.352 0.000 1.106 165 L CA 0.195 54.759 54.840 -0.460 0.000 0.793 165 L CB 0.084 41.544 42.059 -0.998 0.000 0.927 165 L HN 0.075 nan 8.230 nan 0.000 0.446 166 L N -0.582 120.523 121.223 -0.197 0.000 2.145 166 L HA -0.005 4.336 4.340 0.002 0.000 0.201 166 L C 0.626 177.537 176.870 0.068 0.000 1.075 166 L CA 0.688 55.580 54.840 0.086 0.000 0.773 166 L CB 0.126 42.331 42.059 0.242 0.000 0.936 166 L HN 0.165 nan 8.230 nan 0.000 0.451 167 D N 0.554 120.996 120.400 0.069 0.000 2.508 167 D HA 0.004 4.645 4.640 0.002 0.000 0.224 167 D C 0.828 176.989 176.300 -0.232 0.000 1.171 167 D CA 0.179 54.203 54.000 0.039 0.000 1.006 167 D CB 0.938 41.838 40.800 0.167 0.000 1.073 167 D HN -0.145 nan 8.370 nan 0.000 0.513 168 K N 1.626 121.554 120.400 -0.787 0.000 2.439 168 K HA 0.031 4.353 4.320 0.002 0.000 0.197 168 K C 0.808 176.861 176.600 -0.913 0.000 1.041 168 K CA 0.684 56.318 56.287 -1.089 0.000 0.970 168 K CB 0.119 31.614 32.500 -1.674 0.000 0.773 168 K HN 0.537 nan 8.250 nan 0.000 0.479 169 W N -0.844 120.423 121.300 -0.054 0.000 2.870 169 W HA 0.353 5.014 4.660 0.002 0.000 0.358 169 W C 0.569 177.046 176.519 -0.069 0.000 1.043 169 W CA 0.156 57.462 57.345 -0.065 0.000 1.692 169 W CB -0.075 29.332 29.460 -0.088 0.000 1.100 169 W HN 0.184 nan 8.180 nan 0.000 0.557 170 G N 1.554 110.407 108.800 0.090 0.000 2.225 170 G HA2 -0.316 3.645 3.960 0.002 0.000 0.267 170 G HA3 -0.316 3.645 3.960 0.002 0.000 0.267 170 G C 1.249 176.179 174.900 0.050 0.000 1.024 170 G CA 0.598 45.735 45.100 0.062 0.000 0.784 170 G HN 0.302 nan 8.290 nan 0.000 0.507 171 A N -0.609 122.219 122.820 0.013 0.000 1.908 171 A HA 0.307 4.628 4.320 0.002 0.000 0.218 171 A C 0.989 178.486 177.584 -0.144 0.000 1.181 171 A CA 1.177 53.134 52.037 -0.133 0.000 0.627 171 A CB -0.221 18.601 19.000 -0.296 0.000 0.818 171 A HN 0.720 nan 8.150 nan 0.000 0.445 172 F N 0.531 120.519 119.950 0.063 0.000 2.438 172 F HA 0.295 4.823 4.527 0.001 0.000 0.360 172 F C 1.427 177.232 175.800 0.008 0.000 1.118 172 F CA -0.580 57.435 58.000 0.026 0.000 1.164 172 F CB 0.625 39.640 39.000 0.025 0.000 1.131 172 F HN 0.074 nan 8.300 nan 0.000 0.527 173 R N 2.085 122.686 120.500 0.168 0.000 2.200 173 R HA 0.325 4.666 4.340 0.002 0.000 0.208 173 R C 0.358 176.689 176.300 0.053 0.000 1.033 173 R CA 0.382 56.532 56.100 0.083 0.000 1.000 173 R CB -0.183 30.146 30.300 0.047 0.000 0.906 173 R HN 0.568 nan 8.270 nan 0.000 0.462 174 A N 0.775 123.621 122.820 0.043 0.000 2.606 174 A HA 0.713 5.034 4.320 0.002 0.000 0.293 174 A C -1.174 176.327 177.584 -0.138 0.000 1.082 174 A CA -0.780 51.230 52.037 -0.045 0.000 0.685 174 A CB 1.577 20.529 19.000 -0.080 0.000 1.284 174 A HN 0.096 nan 8.150 nan 0.000 0.408 175 R N 0.452 120.801 120.500 -0.251 0.000 2.476 175 R HA 0.656 4.997 4.340 0.002 0.000 0.305 175 R C -1.537 174.255 176.300 -0.847 0.000 0.965 175 R CA -0.362 55.413 56.100 -0.540 0.000 0.867 175 R CB 1.740 31.782 30.300 -0.430 0.000 1.176 175 R HN 0.598 nan 8.270 nan 0.000 0.447 176 L N 3.576 124.217 121.223 -0.969 0.000 2.346 176 L HA 0.640 4.981 4.340 0.002 0.000 0.274 176 L C -0.753 175.624 176.870 -0.822 0.000 1.007 176 L CA -0.669 53.609 54.840 -0.937 0.000 0.818 176 L CB 1.036 42.405 42.059 -1.149 0.000 1.284 176 L HN 0.434 nan 8.230 nan 0.000 0.424 177 F N -0.404 119.538 119.950 -0.013 0.000 2.900 177 F HA 0.503 5.032 4.527 0.002 0.000 0.375 177 F C 1.432 177.317 175.800 0.141 0.000 1.258 177 F CA -0.915 57.130 58.000 0.075 0.000 1.094 177 F CB 0.434 39.448 39.000 0.023 0.000 1.505 177 F HN 0.322 nan 8.300 nan 0.000 0.510 178 R N 0.449 121.135 120.500 0.309 0.000 2.112 178 R HA -0.229 4.112 4.340 0.002 0.000 0.242 178 R C 1.524 177.952 176.300 0.213 0.000 1.137 178 R CA 2.654 58.850 56.100 0.160 0.000 0.944 178 R CB -0.335 29.993 30.300 0.046 0.000 0.857 178 R HN 0.703 nan 8.270 nan 0.000 0.435 179 E N -0.086 120.234 120.200 0.199 0.000 2.219 179 E HA -0.145 4.207 4.350 0.002 0.000 0.198 179 E C 1.788 178.507 176.600 0.199 0.000 0.998 179 E CA 1.713 58.218 56.400 0.175 0.000 0.818 179 E CB -0.054 29.729 29.700 0.139 0.000 0.741 179 E HN 0.249 nan 8.360 nan 0.000 0.477 180 S N -0.386 115.454 115.700 0.234 0.000 2.528 180 S HA 0.065 4.536 4.470 0.002 0.000 0.219 180 S C 0.670 175.539 174.600 0.449 0.000 0.985 180 S CA -0.228 58.115 58.200 0.238 0.000 0.914 180 S CB 0.031 63.228 63.200 -0.006 0.000 0.776 180 S HN 0.279 nan 8.310 nan 0.000 0.526 181 C N 1.833 121.407 119.300 0.458 0.000 2.657 181 C HA 0.498 4.960 4.460 0.002 0.000 0.404 181 C C 0.822 176.011 174.990 0.333 0.000 1.291 181 C CA -1.108 58.135 59.018 0.375 0.000 2.218 181 C CB 0.270 28.215 27.740 0.342 0.000 2.687 181 C HN 0.322 nan 8.230 nan 0.000 0.634 182 V N 3.375 123.461 119.914 0.288 0.000 2.394 182 V HA 0.471 4.592 4.120 0.002 0.000 0.282 182 V C -0.715 175.558 176.094 0.299 0.000 1.031 182 V CA -0.325 62.148 62.300 0.288 0.000 0.881 182 V CB 0.809 32.803 31.823 0.285 0.000 0.982 182 V HN 0.689 nan 8.190 nan 0.000 0.451 183 F N 7.621 127.650 119.950 0.131 0.000 2.404 183 F HA 0.506 5.034 4.527 0.002 0.000 0.359 183 F C -0.065 175.777 175.800 0.070 0.000 1.134 183 F CA -0.117 57.895 58.000 0.020 0.000 1.160 183 F CB 0.025 39.012 39.000 -0.022 0.000 1.186 183 F HN 0.828 nan 8.300 nan 0.000 0.526 184 H N 4.648 123.494 119.070 -0.374 0.000 2.823 184 H HA 0.434 4.991 4.556 0.002 0.000 0.332 184 H C 0.074 175.170 175.328 -0.386 0.000 0.980 184 H CA -0.836 55.070 56.048 -0.236 0.000 1.286 184 H CB 0.544 30.264 29.762 -0.070 0.000 1.541 184 H HN 0.671 nan 8.280 nan 0.000 0.521 185 R N 3.759 123.839 120.500 -0.700 0.000 3.516 185 R HA -0.208 4.133 4.340 0.002 0.000 0.271 185 R C 0.880 176.850 176.300 -0.549 0.000 1.098 185 R CA 0.958 56.708 56.100 -0.583 0.000 0.732 185 R CB -1.893 28.043 30.300 -0.607 0.000 1.152 185 R HN 1.229 nan 8.270 nan 0.000 0.455 186 G N -1.204 107.092 108.800 -0.840 0.000 2.159 186 G HA2 -0.312 3.649 3.960 0.002 0.000 0.256 186 G HA3 -0.312 3.649 3.960 0.002 0.000 0.256 186 G C -0.180 174.177 174.900 -0.905 0.000 0.977 186 G CA 0.253 44.819 45.100 -0.891 0.000 0.652 186 G HN 0.439 nan 8.290 nan 0.000 0.531 187 N N -0.485 117.659 118.700 -0.926 0.000 2.272 187 N HA 0.524 5.265 4.740 0.002 0.000 0.305 187 N C -0.906 174.311 175.510 -0.488 0.000 1.103 187 N CA -0.534 52.196 53.050 -0.534 0.000 0.791 187 N CB 1.001 39.311 38.487 -0.294 0.000 1.356 187 N HN 0.107 nan 8.380 nan 0.000 0.486 188 Y N 0.407 120.719 120.300 0.021 0.000 2.539 188 Y HA 0.239 4.790 4.550 0.002 0.000 0.352 188 Y C 0.518 176.382 175.900 -0.059 0.000 1.004 188 Y CA -0.531 57.631 58.100 0.103 0.000 1.278 188 Y CB 0.387 38.940 38.460 0.154 0.000 1.136 188 Y HN 0.046 nan 8.280 nan 0.000 0.528 189 V N 4.681 124.607 119.914 0.020 0.000 2.472 189 V HA 0.289 4.410 4.120 0.002 0.000 0.290 189 V C -0.173 175.853 176.094 -0.113 0.000 1.037 189 V CA -1.441 60.766 62.300 -0.156 0.000 0.908 189 V CB 1.517 33.086 31.823 -0.423 0.000 0.985 189 V HN 0.593 nan 8.190 nan 0.000 0.454 190 K N 2.916 123.186 120.400 -0.217 0.000 2.266 190 K HA 0.286 4.607 4.320 0.002 0.000 0.274 190 K C -0.706 175.883 176.600 -0.019 0.000 1.090 190 K CA -0.446 55.599 56.287 -0.403 0.000 0.925 190 K CB 0.628 32.632 32.500 -0.828 0.000 1.225 190 K HN 0.618 nan 8.250 nan 0.000 0.458 191 D N 4.202 124.718 120.400 0.194 0.000 2.393 191 D HA 0.060 4.701 4.640 0.002 0.000 0.232 191 D C 0.838 177.303 176.300 0.275 0.000 1.192 191 D CA -0.235 54.001 54.000 0.393 0.000 0.882 191 D CB 0.659 41.730 40.800 0.451 0.000 1.038 191 D HN 0.410 nan 8.370 nan 0.000 0.499 192 L N 2.241 123.447 121.223 -0.029 0.000 2.275 192 L HA -0.097 4.244 4.340 0.002 0.000 0.215 192 L C 2.057 178.863 176.870 -0.105 0.000 1.119 192 L CA 0.423 55.121 54.840 -0.236 0.000 0.790 192 L CB -0.267 41.421 42.059 -0.619 0.000 0.919 192 L HN 0.301 nan 8.230 nan 0.000 0.443 193 S N -0.231 115.492 115.700 0.039 0.000 2.469 193 S HA -0.099 4.372 4.470 0.002 0.000 0.238 193 S C 1.943 176.689 174.600 0.242 0.000 0.998 193 S CA 0.943 59.257 58.200 0.189 0.000 0.957 193 S CB -0.187 63.181 63.200 0.281 0.000 0.764 193 S HN 0.408 nan 8.310 nan 0.000 0.514 194 R N 0.082 120.730 120.500 0.247 0.000 2.275 194 R HA 0.171 4.512 4.340 0.002 0.000 0.199 194 R C 1.363 177.848 176.300 0.309 0.000 0.989 194 R CA 0.070 56.343 56.100 0.289 0.000 1.016 194 R CB -0.129 30.313 30.300 0.237 0.000 0.918 194 R HN 0.236 nan 8.270 nan 0.000 0.473 195 L N -0.170 121.156 121.223 0.172 0.000 2.017 195 L HA -0.010 4.332 4.340 0.002 0.000 0.208 195 L C 1.375 178.215 176.870 -0.051 0.000 1.073 195 L CA 2.175 57.051 54.840 0.059 0.000 0.745 195 L CB -0.845 41.221 42.059 0.012 0.000 0.894 195 L HN 0.472 nan 8.230 nan 0.000 0.432 196 G N -0.401 108.224 108.800 -0.292 0.000 2.207 196 G HA2 -0.198 3.763 3.960 0.002 0.000 0.216 196 G HA3 -0.198 3.763 3.960 0.002 0.000 0.216 196 G C 0.136 174.777 174.900 -0.433 0.000 1.053 196 G CA -0.198 44.382 45.100 -0.867 0.000 0.764 196 G HN 0.219 nan 8.290 nan 0.000 0.495 197 R N -0.011 120.336 120.500 -0.254 0.000 2.744 197 R HA 0.418 4.759 4.340 0.002 0.000 0.279 197 R C -0.906 175.328 176.300 -0.110 0.000 0.977 197 R CA -1.072 54.937 56.100 -0.152 0.000 0.906 197 R CB 1.252 31.495 30.300 -0.095 0.000 1.197 197 R HN 0.233 nan 8.270 nan 0.000 0.463 198 D N 2.493 122.846 120.400 -0.079 0.000 2.412 198 D HA -0.026 4.615 4.640 0.002 0.000 0.257 198 D C 1.108 177.388 176.300 -0.035 0.000 1.217 198 D CA 0.182 54.158 54.000 -0.040 0.000 0.897 198 D CB 0.809 41.590 40.800 -0.031 0.000 1.132 198 D HN 0.455 nan 8.370 nan 0.000 0.493 199 L N 3.678 124.905 121.223 0.008 0.000 2.353 199 L HA -0.133 4.208 4.340 0.002 0.000 0.220 199 L C 2.220 179.016 176.870 -0.123 0.000 1.133 199 L CA 0.742 55.588 54.840 0.011 0.000 0.798 199 L CB -0.152 42.007 42.059 0.167 0.000 0.922 199 L HN 0.313 nan 8.230 nan 0.000 0.445 200 R N -0.069 120.374 120.500 -0.094 0.000 2.235 200 R HA -0.015 4.326 4.340 0.002 0.000 0.213 200 R C 0.953 177.109 176.300 -0.241 0.000 1.059 200 R CA 0.715 56.670 56.100 -0.242 0.000 0.997 200 R CB 0.015 30.289 30.300 -0.043 0.000 0.884 200 R HN 0.263 nan 8.270 nan 0.000 0.462 201 R N 0.105 120.516 120.500 -0.148 0.000 2.816 201 R HA 0.276 4.617 4.340 0.002 0.000 0.382 201 R C -1.165 175.083 176.300 -0.087 0.000 1.140 201 R CA -0.133 55.908 56.100 -0.098 0.000 1.050 201 R CB 1.308 31.578 30.300 -0.051 0.000 1.396 201 R HN -0.097 nan 8.270 nan 0.000 0.583 202 V N 1.685 121.516 119.914 -0.138 0.000 2.709 202 V HA 0.499 4.620 4.120 0.002 0.000 0.308 202 V C -0.461 175.551 176.094 -0.136 0.000 1.062 202 V CA -0.770 61.463 62.300 -0.112 0.000 0.901 202 V CB 2.642 34.410 31.823 -0.093 0.000 1.003 202 V HN 0.217 nan 8.190 nan 0.000 0.425 203 L N 4.570 125.719 121.223 -0.124 0.000 2.333 203 L HA 0.704 5.045 4.340 0.002 0.000 0.263 203 L C -0.825 176.005 176.870 -0.066 0.000 1.014 203 L CA -0.691 54.083 54.840 -0.111 0.000 0.820 203 L CB 2.536 44.519 42.059 -0.126 0.000 1.352 203 L HN 0.575 nan 8.230 nan 0.000 0.421 204 I N 2.013 122.558 120.570 -0.042 0.000 2.466 204 I HA 0.441 4.612 4.170 0.002 0.000 0.289 204 I C -1.642 174.502 176.117 0.045 0.000 1.026 204 I CA -0.762 60.541 61.300 0.005 0.000 1.078 204 I CB 2.029 40.045 38.000 0.027 0.000 1.249 204 I HN 0.459 nan 8.210 nan 0.000 0.429 205 L N 8.286 129.578 121.223 0.116 0.000 2.298 205 L HA 0.643 4.984 4.340 0.002 0.000 0.284 205 L C -1.320 175.650 176.870 0.165 0.000 1.013 205 L CA 0.331 55.279 54.840 0.181 0.000 0.824 205 L CB 0.903 43.109 42.059 0.245 0.000 1.221 205 L HN 0.599 nan 8.230 nan 0.000 0.418 206 D N 2.715 123.238 120.400 0.205 0.000 2.803 206 D HA 0.155 4.796 4.640 0.002 0.000 0.218 206 D C 0.182 176.608 176.300 0.210 0.000 1.245 206 D CA -0.245 53.876 54.000 0.201 0.000 0.821 206 D CB 1.586 42.528 40.800 0.236 0.000 1.626 206 D HN 0.668 nan 8.370 nan 0.000 0.487 207 N N 0.681 119.453 118.700 0.120 0.000 2.457 207 N HA -0.072 4.669 4.740 0.002 0.000 0.180 207 N C -0.296 175.252 175.510 0.063 0.000 1.050 207 N CA 0.041 53.146 53.050 0.091 0.000 0.906 207 N CB 0.241 38.754 38.487 0.042 0.000 0.968 207 N HN 0.024 nan 8.380 nan 0.000 0.445 208 S N 2.274 117.986 115.700 0.021 0.000 2.423 208 S HA 0.303 4.774 4.470 0.002 0.000 0.317 208 S C -1.864 172.556 174.600 -0.300 0.000 1.065 208 S CA -1.127 57.028 58.200 -0.077 0.000 1.111 208 S CB 1.994 65.159 63.200 -0.057 0.000 0.968 208 S HN 0.042 nan 8.310 nan 0.000 0.474 209 P HA -0.164 nan 4.420 nan 0.000 0.218 209 P C 1.402 178.227 177.300 -0.792 0.000 1.146 209 P CA 0.977 63.582 63.100 -0.825 0.000 0.813 209 P CB 0.102 31.629 31.700 -0.288 0.000 0.778 210 A N 0.093 122.667 122.820 -0.409 0.000 1.940 210 A HA -0.217 4.104 4.320 0.002 0.000 0.219 210 A C 2.288 179.680 177.584 -0.320 0.000 1.176 210 A CA 2.330 54.189 52.037 -0.298 0.000 0.631 210 A CB -1.549 17.343 19.000 -0.180 0.000 0.814 210 A HN 0.363 nan 8.150 nan 0.000 0.446 211 S N -0.713 114.796 115.700 -0.319 0.000 2.453 211 S HA -0.122 4.349 4.470 0.002 0.000 0.231 211 S C 1.227 175.738 174.600 -0.149 0.000 1.005 211 S CA 1.021 59.095 58.200 -0.210 0.000 0.949 211 S CB -0.676 62.448 63.200 -0.128 0.000 0.774 211 S HN 0.941 nan 8.310 nan 0.000 0.510 212 Y N -0.668 119.593 120.300 -0.065 0.000 2.720 212 Y HA 0.693 5.244 4.550 0.002 0.000 0.277 212 Y C 1.452 177.349 175.900 -0.005 0.000 1.144 212 Y CA -1.080 57.019 58.100 -0.002 0.000 1.221 212 Y CB -0.692 37.800 38.460 0.053 0.000 1.163 212 Y HN 0.035 nan 8.280 nan 0.000 0.537 213 V N 0.514 120.360 119.914 -0.114 0.000 2.469 213 V HA -0.266 3.855 4.120 0.002 0.000 0.251 213 V C 1.541 177.667 176.094 0.055 0.000 1.064 213 V CA 2.114 64.361 62.300 -0.088 0.000 1.066 213 V CB -0.565 31.131 31.823 -0.211 0.000 0.667 213 V HN 0.473 nan 8.190 nan 0.000 0.461 214 F N 0.130 120.050 119.950 -0.050 0.000 2.558 214 F HA 0.181 4.709 4.527 0.002 0.000 0.298 214 F C 1.177 176.655 175.800 -0.537 0.000 1.119 214 F CA 0.502 58.330 58.000 -0.286 0.000 1.451 214 F CB -0.642 38.150 39.000 -0.347 0.000 1.091 214 F HN 0.426 nan 8.300 nan 0.000 0.563 215 H N -1.181 118.057 119.070 0.280 0.000 2.712 215 H HA 0.211 4.768 4.556 0.001 0.000 0.226 215 H C -1.875 173.576 175.328 0.205 0.000 1.422 215 H CA -1.262 54.920 56.048 0.224 0.000 1.270 215 H CB 0.307 30.197 29.762 0.213 0.000 1.891 215 H HN -0.159 nan 8.280 nan 0.000 0.518 216 P HA -0.083 nan 4.420 nan 0.000 0.226 216 P C 0.371 177.747 177.300 0.125 0.000 1.153 216 P CA 0.953 64.197 63.100 0.240 0.000 0.777 216 P CB 0.624 32.450 31.700 0.209 0.000 0.794 217 D N -0.538 119.964 120.400 0.169 0.000 2.328 217 D HA 0.033 4.674 4.640 0.002 0.000 0.221 217 D C 0.677 177.154 176.300 0.295 0.000 1.072 217 D CA 0.327 54.450 54.000 0.204 0.000 0.850 217 D CB -0.416 40.483 40.800 0.164 0.000 0.922 217 D HN 0.224 nan 8.370 nan 0.000 0.516 218 N N -0.065 118.754 118.700 0.198 0.000 2.230 218 N HA 0.174 4.915 4.740 0.002 0.000 0.202 218 N C -0.080 175.378 175.510 -0.086 0.000 1.119 218 N CA -0.108 52.978 53.050 0.059 0.000 0.851 218 N CB 0.982 39.522 38.487 0.087 0.000 0.990 218 N HN -0.014 nan 8.380 nan 0.000 0.497 219 A N 0.235 122.945 122.820 -0.184 0.000 2.324 219 A HA 0.648 4.969 4.320 0.002 0.000 0.330 219 A C -0.598 176.840 177.584 -0.244 0.000 1.165 219 A CA -0.503 51.277 52.037 -0.429 0.000 0.813 219 A CB 1.033 19.296 19.000 -1.227 0.000 1.197 219 A HN -0.011 nan 8.150 nan 0.000 0.484 220 V N 3.877 123.691 119.914 -0.165 0.000 2.304 220 V HA 0.290 4.411 4.120 0.002 0.000 0.278 220 V C -2.445 173.658 176.094 0.016 0.000 1.018 220 V CA -1.476 60.807 62.300 -0.028 0.000 0.814 220 V CB 0.916 32.729 31.823 -0.017 0.000 1.021 220 V HN 0.777 nan 8.190 nan 0.000 0.440 221 P HA 0.177 nan 4.420 nan 0.000 0.266 221 P C -0.659 176.702 177.300 0.103 0.000 1.195 221 P CA 0.283 63.449 63.100 0.109 0.000 0.768 221 P CB 1.053 32.814 31.700 0.103 0.000 0.838 222 V N 2.409 122.398 119.914 0.124 0.000 2.841 222 V HA 0.682 4.803 4.120 0.002 0.000 0.310 222 V C -0.692 175.451 176.094 0.083 0.000 1.090 222 V CA -0.990 61.362 62.300 0.088 0.000 0.930 222 V CB 1.959 33.827 31.823 0.076 0.000 1.014 222 V HN 0.679 nan 8.190 nan 0.000 0.425 223 A N 4.362 127.224 122.820 0.071 0.000 2.477 223 A HA 0.566 4.887 4.320 0.002 0.000 0.246 223 A C 0.611 178.234 177.584 0.066 0.000 1.078 223 A CA 0.219 52.302 52.037 0.077 0.000 0.770 223 A CB 0.114 19.165 19.000 0.086 0.000 1.011 223 A HN 1.090 nan 8.150 nan 0.000 0.494 224 S N 0.921 116.645 115.700 0.039 0.000 2.546 224 S HA 0.139 4.610 4.470 0.002 0.000 0.290 224 S C -0.508 173.993 174.600 -0.165 0.000 1.290 224 S CA 0.557 58.703 58.200 -0.091 0.000 1.069 224 S CB -0.045 63.114 63.200 -0.070 0.000 0.846 224 S HN 0.656 nan 8.310 nan 0.000 0.495 225 W N 4.209 125.187 121.300 -0.537 0.000 2.702 225 W HA 0.615 5.276 4.660 0.002 0.000 0.331 225 W C -0.877 175.149 176.519 -0.822 0.000 1.049 225 W CA -0.889 56.189 57.345 -0.445 0.000 1.230 225 W CB 0.640 29.982 29.460 -0.196 0.000 1.408 225 W HN 0.637 nan 8.180 nan 0.000 0.492 226 F N 1.437 120.703 119.950 -1.139 0.000 2.423 226 F HA 0.173 4.701 4.527 0.002 0.000 0.269 226 F C 1.404 176.266 175.800 -1.563 0.000 0.880 226 F CA 0.455 57.704 58.000 -1.251 0.000 1.134 226 F CB 0.109 38.580 39.000 -0.880 0.000 1.143 226 F HN 0.257 nan 8.300 nan 0.000 0.802 227 D N -2.221 117.457 120.400 -1.204 0.000 2.619 227 D HA 0.071 4.713 4.640 0.002 0.000 0.300 227 D C -0.552 175.586 176.300 -0.269 0.000 1.502 227 D CA -0.156 53.397 54.000 -0.745 0.000 0.865 227 D CB -1.580 39.054 40.800 -0.277 0.000 1.343 227 D HN 0.033 nan 8.370 nan 0.000 0.447 228 N N 1.339 119.882 118.700 -0.261 0.000 2.406 228 N HA 0.037 4.778 4.740 0.002 0.000 0.265 228 N C 0.675 176.462 175.510 0.462 0.000 1.203 228 N CA 0.022 53.159 53.050 0.145 0.000 0.945 228 N CB 0.552 39.117 38.487 0.130 0.000 1.165 228 N HN -0.043 nan 8.380 nan 0.000 0.485 229 M N 1.497 121.264 119.600 0.278 0.000 2.563 229 M HA 0.074 4.555 4.480 0.002 0.000 0.231 229 M C 0.894 177.278 176.300 0.139 0.000 1.136 229 M CA 0.341 55.780 55.300 0.232 0.000 1.026 229 M CB -0.764 31.924 32.600 0.148 0.000 1.597 229 M HN 0.411 nan 8.290 nan 0.000 0.495 230 S N -0.196 115.594 115.700 0.150 0.000 2.535 230 S HA 0.014 4.485 4.470 0.002 0.000 0.214 230 S C 0.658 175.336 174.600 0.130 0.000 0.980 230 S CA -0.278 57.988 58.200 0.110 0.000 0.907 230 S CB 0.126 63.379 63.200 0.089 0.000 0.790 230 S HN 0.484 nan 8.310 nan 0.000 0.510 231 D N 2.557 123.068 120.400 0.184 0.000 2.493 231 D HA -0.042 4.599 4.640 0.002 0.000 0.240 231 D C 0.630 177.007 176.300 0.128 0.000 1.142 231 D CA 0.819 54.918 54.000 0.165 0.000 0.872 231 D CB 0.858 41.784 40.800 0.210 0.000 1.173 231 D HN 0.300 nan 8.370 nan 0.000 0.467 232 T N -0.016 114.608 114.554 0.117 0.000 3.145 232 T HA 0.108 4.459 4.350 0.002 0.000 0.281 232 T C 1.192 175.944 174.700 0.087 0.000 1.003 232 T CA -0.452 61.720 62.100 0.120 0.000 0.901 232 T CB 0.347 69.242 68.868 0.045 0.000 1.112 232 T HN 0.461 nan 8.240 nan 0.000 0.535 233 E N 1.170 121.402 120.200 0.054 0.000 2.110 233 E HA -0.002 4.349 4.350 0.002 0.000 0.193 233 E C 1.762 178.353 176.600 -0.015 0.000 0.988 233 E CA 0.929 57.343 56.400 0.024 0.000 0.804 233 E CB -0.259 29.450 29.700 0.016 0.000 0.745 233 E HN 0.537 nan 8.360 nan 0.000 0.458 234 L N -0.396 120.770 121.223 -0.094 0.000 2.056 234 L HA -0.180 4.162 4.340 0.002 0.000 0.207 234 L C 2.562 179.458 176.870 0.042 0.000 1.078 234 L CA 1.586 56.268 54.840 -0.264 0.000 0.749 234 L CB -0.557 41.229 42.059 -0.456 0.000 0.901 234 L HN 0.321 nan 8.230 nan 0.000 0.433 235 H N 0.299 119.346 119.070 -0.039 0.000 2.321 235 H HA -0.190 4.368 4.556 0.002 0.000 0.300 235 H C 1.741 177.062 175.328 -0.012 0.000 1.087 235 H CA 2.039 58.030 56.048 -0.095 0.000 1.319 235 H CB 0.137 29.586 29.762 -0.523 0.000 1.379 235 H HN 0.227 nan 8.280 nan 0.000 0.501 236 D N -0.002 120.446 120.400 0.080 0.000 2.269 236 D HA -0.086 4.555 4.640 0.002 0.000 0.208 236 D C 2.058 178.397 176.300 0.065 0.000 0.963 236 D CA 0.593 54.624 54.000 0.051 0.000 0.864 236 D CB 0.004 40.849 40.800 0.074 0.000 0.936 236 D HN 0.448 nan 8.370 nan 0.000 0.505 237 L N 0.053 121.364 121.223 0.146 0.000 2.341 237 L HA 0.037 4.378 4.340 0.002 0.000 0.214 237 L C 2.331 179.461 176.870 0.434 0.000 1.115 237 L CA 0.073 55.084 54.840 0.285 0.000 0.820 237 L CB 0.008 42.297 42.059 0.385 0.000 0.944 237 L HN 0.021 nan 8.230 nan 0.000 0.452 238 L N 0.387 121.818 121.223 0.346 0.000 2.012 238 L HA -0.190 4.151 4.340 0.002 0.000 0.210 238 L C -0.180 176.798 176.870 0.180 0.000 1.073 238 L CA 1.779 56.785 54.840 0.277 0.000 0.748 238 L CB -1.455 40.656 42.059 0.086 0.000 0.891 238 L HN 0.226 nan 8.230 nan 0.000 0.431 239 P HA -0.230 nan 4.420 nan 0.000 0.216 239 P C 1.442 178.838 177.300 0.159 0.000 1.150 239 P CA 1.409 64.559 63.100 0.082 0.000 0.837 239 P CB -0.084 31.644 31.700 0.047 0.000 0.786 240 F N -0.879 119.073 119.950 0.003 0.000 2.146 240 F HA -0.097 4.431 4.527 0.002 0.000 0.298 240 F C 1.966 177.733 175.800 -0.055 0.000 1.096 240 F CA 1.178 59.136 58.000 -0.069 0.000 1.275 240 F CB -0.967 37.936 39.000 -0.160 0.000 1.008 240 F HN -0.222 nan 8.300 nan 0.000 0.480 241 F N 0.687 120.665 119.950 0.046 0.000 2.234 241 F HA -0.098 4.430 4.527 0.002 0.000 0.299 241 F C 2.428 178.235 175.800 0.012 0.000 1.087 241 F CA 1.463 59.494 58.000 0.050 0.000 1.340 241 F CB -0.822 38.295 39.000 0.196 0.000 1.031 241 F HN -0.013 nan 8.300 nan 0.000 0.500 242 E N 0.318 120.599 120.200 0.134 0.000 2.058 242 E HA -0.276 4.075 4.350 0.002 0.000 0.194 242 E C 2.231 178.798 176.600 -0.055 0.000 0.997 242 E CA 1.624 58.016 56.400 -0.013 0.000 0.801 242 E CB -0.275 29.417 29.700 -0.014 0.000 0.746 242 E HN 0.471 nan 8.360 nan 0.000 0.450 243 Q N -0.311 119.460 119.800 -0.048 0.000 2.079 243 Q HA -0.137 4.204 4.340 0.002 0.000 0.200 243 Q C 2.152 178.078 176.000 -0.123 0.000 0.974 243 Q CA 1.328 57.085 55.803 -0.077 0.000 0.840 243 Q CB -0.083 28.632 28.738 -0.040 0.000 0.898 243 Q HN 0.355 nan 8.270 nan 0.000 0.430 244 L N 0.633 121.748 121.223 -0.180 0.000 2.201 244 L HA -0.118 4.223 4.340 0.002 0.000 0.212 244 L C 2.578 179.457 176.870 0.015 0.000 1.105 244 L CA 1.117 55.874 54.840 -0.138 0.000 0.775 244 L CB -0.318 41.597 42.059 -0.239 0.000 0.913 244 L HN 0.313 nan 8.230 nan 0.000 0.440 245 S N -0.402 115.273 115.700 -0.041 0.000 2.447 245 S HA -0.090 4.381 4.470 0.002 0.000 0.233 245 S C 1.914 176.402 174.600 -0.185 0.000 1.006 245 S CA 0.380 58.412 58.200 -0.281 0.000 0.957 245 S CB -0.186 62.578 63.200 -0.726 0.000 0.773 245 S HN 0.393 nan 8.310 nan 0.000 0.507 246 R N 1.454 121.878 120.500 -0.127 0.000 2.254 246 R HA 0.274 4.615 4.340 0.002 0.000 0.195 246 R C 1.111 177.372 176.300 -0.066 0.000 0.957 246 R CA 0.491 56.533 56.100 -0.097 0.000 1.024 246 R CB -0.922 29.328 30.300 -0.084 0.000 0.952 246 R HN 0.579 nan 8.270 nan 0.000 0.484 247 V N -0.298 119.582 119.914 -0.058 0.000 3.083 247 V HA 0.163 4.284 4.120 0.002 0.000 0.306 247 V C 0.837 176.907 176.094 -0.039 0.000 1.077 247 V CA -0.327 61.946 62.300 -0.045 0.000 1.073 247 V CB 1.264 33.057 31.823 -0.049 0.000 1.081 247 V HN -0.106 nan 8.190 nan 0.000 0.474 248 D N 0.314 120.695 120.400 -0.031 0.000 2.183 248 D HA 0.075 4.716 4.640 0.002 0.000 0.205 248 D C 0.118 176.398 176.300 -0.033 0.000 0.962 248 D CA 1.404 55.388 54.000 -0.027 0.000 0.849 248 D CB 0.327 41.118 40.800 -0.015 0.000 0.978 248 D HN 0.822 nan 8.370 nan 0.000 0.488 249 D N 0.123 120.503 120.400 -0.034 0.000 2.575 249 D HA 0.048 4.689 4.640 0.002 0.000 0.250 249 D C 1.438 177.689 176.300 -0.082 0.000 1.279 249 D CA -0.418 53.553 54.000 -0.048 0.000 0.925 249 D CB 2.024 42.835 40.800 0.019 0.000 1.261 249 D HN -0.151 nan 8.370 nan 0.000 0.567 250 V N 3.139 122.937 119.914 -0.193 0.000 2.469 250 V HA -0.224 3.897 4.120 0.002 0.000 0.251 250 V C 1.610 177.625 176.094 -0.131 0.000 1.064 250 V CA 1.223 63.397 62.300 -0.211 0.000 1.066 250 V CB -1.217 30.431 31.823 -0.291 0.000 0.667 250 V HN 0.471 nan 8.190 nan 0.000 0.461 251 Y N 2.624 122.926 120.300 0.004 0.000 2.352 251 Y HA -0.076 4.475 4.550 0.001 0.000 0.292 251 Y C 3.050 178.958 175.900 0.014 0.000 1.136 251 Y CA 1.046 59.154 58.100 0.013 0.000 1.227 251 Y CB -1.118 37.353 38.460 0.019 0.000 0.991 251 Y HN 0.557 nan 8.280 nan 0.000 0.545 252 S N -1.258 114.526 115.700 0.138 0.000 2.447 252 S HA -0.091 4.380 4.470 0.002 0.000 0.233 252 S C 1.732 176.375 174.600 0.070 0.000 1.006 252 S CA 1.259 59.510 58.200 0.086 0.000 0.957 252 S CB -0.870 62.361 63.200 0.052 0.000 0.773 252 S HN 0.185 nan 8.310 nan 0.000 0.507 253 V N 0.728 120.680 119.914 0.064 0.000 2.672 253 V HA 0.257 4.378 4.120 0.002 0.000 0.242 253 V C 2.172 178.336 176.094 0.117 0.000 1.059 253 V CA 0.743 63.088 62.300 0.076 0.000 1.081 253 V CB -0.484 31.356 31.823 0.028 0.000 0.752 253 V HN 0.412 nan 8.190 nan 0.000 0.472 254 L N -1.119 120.177 121.223 0.121 0.000 2.463 254 L HA 0.346 4.687 4.340 0.002 0.000 0.219 254 L C 0.842 177.794 176.870 0.135 0.000 1.088 254 L CA 0.269 55.192 54.840 0.138 0.000 0.849 254 L CB -0.011 42.123 42.059 0.126 0.000 1.012 254 L HN 0.271 nan 8.230 nan 0.000 0.468 255 R N 0.000 120.592 120.500 0.153 0.000 2.786 255 R HA 0.000 4.341 4.340 0.002 0.000 0.208 255 R CA 0.000 56.157 56.100 0.094 0.000 0.921 255 R CB 0.000 30.335 30.300 0.058 0.000 0.687 255 R HN 0.000 nan 8.270 nan 0.000 0.535