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 1y2b_1_B DATA FIRST_RESID 86 DATA SEQUENCE TEQEDVLAKE LEDVNKWGLH VFRIAELSGN RPLTVIMHTI FQERDLLKTF DATA SEQUENCE KIPVDTLITY LMTLEDHYHA DVAYHNNIHA ADVVQSTHVL LSTPALEAVF DATA SEQUENCE TDLEILAAIF ASAIHDVDHP GVSNQFLINT NSELALMYND SSVLENHHLA DATA SEQUENCE VGFKLLQEEN CDIFQNLTKK QRQSLRKMVI DIVLATDMSK HMNLLADLKT DATA SEQUENCE MVETKKVXXX XVLLLDNYSD RIQVLQNMVH CADLSNPTKP LQLYRQWTDR DATA SEQUENCE IMEEFFRQGD RERERGMEIS PMCDKHNASV EKSQVGFIDY IVHPLWETWA DATA SEQUENCE DLVHPDAQDI LDTLEDNREW YQSTIP 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 86 T HA 0.000 nan 4.350 nan 0.000 0.228 86 T C 0.000 174.701 174.700 0.002 0.000 1.109 86 T CA 0.000 62.101 62.100 0.002 0.000 1.349 86 T CB 0.000 68.868 68.868 0.001 0.000 0.612 87 E N 0.314 120.514 120.200 0.001 0.000 2.106 87 E HA -0.142 4.208 4.350 0.000 0.000 0.192 87 E C 1.884 178.484 176.600 0.001 0.000 0.984 87 E CA 1.497 57.897 56.400 0.001 0.000 0.806 87 E CB -0.147 29.553 29.700 -0.000 0.000 0.750 87 E HN 0.762 nan 8.360 nan 0.000 0.458 88 Q N 0.719 120.519 119.800 0.000 0.000 2.119 88 Q HA -0.146 4.194 4.340 0.000 0.000 0.201 88 Q C 1.789 177.791 176.000 0.002 0.000 0.972 88 Q CA 1.185 56.988 55.803 -0.000 0.000 0.847 88 Q CB 0.142 28.879 28.738 -0.002 0.000 0.903 88 Q HN 0.290 nan 8.270 nan 0.000 0.433 89 E N 0.166 120.367 120.200 0.003 0.000 2.106 89 E HA -0.173 4.177 4.350 0.000 0.000 0.192 89 E C 1.533 178.137 176.600 0.006 0.000 0.984 89 E CA 1.103 57.506 56.400 0.005 0.000 0.806 89 E CB 0.105 29.809 29.700 0.007 0.000 0.750 89 E HN 0.409 nan 8.360 nan 0.000 0.458 90 D N 0.193 120.596 120.400 0.005 0.000 2.117 90 D HA -0.111 4.529 4.640 0.000 0.000 0.198 90 D C 2.039 178.343 176.300 0.007 0.000 0.982 90 D CA 0.747 54.751 54.000 0.006 0.000 0.828 90 D CB -0.110 40.693 40.800 0.005 0.000 0.967 90 D HN 0.023 nan 8.370 nan 0.000 0.464 91 V N 1.106 121.025 119.914 0.007 0.000 2.427 91 V HA -0.171 3.949 4.120 0.000 0.000 0.248 91 V C 2.393 178.495 176.094 0.013 0.000 1.051 91 V CA 0.833 63.140 62.300 0.011 0.000 1.048 91 V CB -0.370 31.459 31.823 0.009 0.000 0.666 91 V HN 0.129 nan 8.190 nan 0.000 0.456 92 L N 1.229 122.457 121.223 0.009 0.000 2.046 92 L HA -0.065 4.275 4.340 0.000 0.000 0.208 92 L C 2.447 179.320 176.870 0.005 0.000 1.077 92 L CA 2.403 57.247 54.840 0.007 0.000 0.747 92 L CB -0.998 41.063 42.059 0.004 0.000 0.896 92 L HN 0.206 nan 8.230 nan 0.000 0.432 93 A N -0.700 122.123 122.820 0.005 0.000 1.933 93 A HA -0.211 4.109 4.320 0.000 0.000 0.218 93 A C 2.348 179.933 177.584 0.001 0.000 1.175 93 A CA 1.830 53.867 52.037 0.001 0.000 0.628 93 A CB -0.516 18.486 19.000 0.003 0.000 0.814 93 A HN 0.500 nan 8.150 nan 0.000 0.444 94 K N -0.497 119.907 120.400 0.006 0.000 2.057 94 K HA -0.134 4.186 4.320 0.000 0.000 0.207 94 K C 1.905 178.508 176.600 0.005 0.000 1.049 94 K CA 1.365 57.656 56.287 0.007 0.000 0.931 94 K CB -0.163 32.345 32.500 0.014 0.000 0.714 94 K HN 0.457 nan 8.250 nan 0.000 0.440 95 E N 0.924 121.132 120.200 0.013 0.000 2.106 95 E HA -0.136 4.214 4.350 0.000 0.000 0.192 95 E C 2.025 178.613 176.600 -0.019 0.000 0.984 95 E CA 0.807 57.213 56.400 0.011 0.000 0.806 95 E CB -0.105 29.622 29.700 0.045 0.000 0.750 95 E HN 0.310 nan 8.360 nan 0.000 0.458 96 L N 0.935 122.149 121.223 -0.014 0.000 2.465 96 L HA -0.101 4.239 4.340 0.000 0.000 0.224 96 L C 2.030 178.887 176.870 -0.021 0.000 1.145 96 L CA 0.541 55.368 54.840 -0.023 0.000 0.834 96 L CB -0.234 41.811 42.059 -0.022 0.000 0.944 96 L HN 0.064 nan 8.230 nan 0.000 0.451 97 E N -0.012 120.178 120.200 -0.017 0.000 2.265 97 E HA -0.193 4.157 4.350 0.000 0.000 0.196 97 E C 0.640 177.233 176.600 -0.011 0.000 0.996 97 E CA 0.803 57.196 56.400 -0.011 0.000 0.832 97 E CB 0.028 29.723 29.700 -0.008 0.000 0.756 97 E HN 0.460 nan 8.360 nan 0.000 0.491 98 D N 0.225 120.607 120.400 -0.031 0.000 2.336 98 D HA -0.026 4.614 4.640 0.000 0.000 0.228 98 D C 1.407 177.705 176.300 -0.004 0.000 1.120 98 D CA 0.050 54.028 54.000 -0.037 0.000 0.839 98 D CB 0.524 41.257 40.800 -0.112 0.000 0.932 98 D HN -0.022 nan 8.370 nan 0.000 0.509 99 V N 1.070 120.992 119.914 0.014 0.000 2.568 99 V HA -0.205 3.916 4.120 0.000 0.000 0.253 99 V C 1.078 177.269 176.094 0.161 0.000 1.072 99 V CA 1.477 63.802 62.300 0.042 0.000 1.084 99 V CB -0.161 31.658 31.823 -0.007 0.000 0.676 99 V HN 0.173 nan 8.190 nan 0.000 0.469 100 N N 0.264 119.062 118.700 0.164 0.000 2.322 100 N HA 0.115 4.855 4.740 0.000 0.000 0.194 100 N C 0.067 175.657 175.510 0.133 0.000 1.126 100 N CA 0.280 53.444 53.050 0.191 0.000 0.845 100 N CB 0.199 38.773 38.487 0.145 0.000 0.976 100 N HN 0.568 nan 8.380 nan 0.000 0.475 101 K N -0.293 120.179 120.400 0.119 0.000 2.259 101 K HA 0.195 4.515 4.320 0.000 0.000 0.252 101 K C -0.595 176.113 176.600 0.179 0.000 0.936 101 K CA -0.699 55.666 56.287 0.129 0.000 0.810 101 K CB 1.978 34.515 32.500 0.063 0.000 1.143 101 K HN 0.062 nan 8.250 nan 0.000 0.427 102 W N 1.992 123.288 121.300 -0.007 0.000 2.381 102 W HA 0.076 4.736 4.660 0.000 0.000 0.321 102 W C 0.532 177.042 176.519 -0.015 0.000 1.407 102 W CA 1.446 58.783 57.345 -0.013 0.000 1.274 102 W CB 0.707 30.151 29.460 -0.028 0.000 1.310 102 W HN 1.010 nan 8.180 nan 0.000 0.551 103 G N 4.142 112.859 108.800 -0.138 0.000 2.154 103 G HA2 -0.287 3.674 3.960 0.000 0.000 0.186 103 G HA3 -0.287 3.674 3.960 0.000 0.000 0.186 103 G C -0.370 174.488 174.900 -0.069 0.000 1.000 103 G CA -0.260 44.799 45.100 -0.068 0.000 0.664 103 G HN 0.584 nan 8.290 nan 0.000 0.513 104 L N 1.571 122.728 121.223 -0.110 0.000 2.573 104 L HA 0.259 4.599 4.340 0.000 0.000 0.290 104 L C 0.924 177.767 176.870 -0.044 0.000 1.247 104 L CA 0.486 55.248 54.840 -0.130 0.000 0.876 104 L CB -0.050 41.951 42.059 -0.097 0.000 1.123 104 L HN 0.366 nan 8.230 nan 0.000 0.505 105 H N 4.403 123.451 119.070 -0.036 0.000 3.195 105 H HA 0.052 4.609 4.556 0.000 0.000 0.241 105 H C 1.156 176.441 175.328 -0.072 0.000 1.823 105 H CA -0.106 55.925 56.048 -0.028 0.000 1.466 105 H CB 0.457 30.213 29.762 -0.009 0.000 1.819 105 H HN 0.644 nan 8.280 nan 0.000 0.575 106 V N 1.979 121.861 119.914 -0.052 0.000 2.515 106 V HA -0.259 3.861 4.120 0.000 0.000 0.250 106 V C 1.401 177.318 176.094 -0.294 0.000 1.058 106 V CA 1.710 63.880 62.300 -0.216 0.000 1.064 106 V CB -0.429 31.212 31.823 -0.304 0.000 0.675 106 V HN 0.543 nan 8.190 nan 0.000 0.461 107 F N 0.600 120.488 119.950 -0.104 0.000 2.206 107 F HA -0.008 4.519 4.527 0.000 0.000 0.298 107 F C 2.558 178.294 175.800 -0.107 0.000 1.090 107 F CA 1.561 59.465 58.000 -0.160 0.000 1.323 107 F CB -0.599 38.251 39.000 -0.250 0.000 1.028 107 F HN 0.060 nan 8.300 nan 0.000 0.492 108 R N 0.279 120.833 120.500 0.090 0.000 2.081 108 R HA -0.112 4.229 4.340 0.000 0.000 0.235 108 R C 2.221 178.533 176.300 0.020 0.000 1.131 108 R CA 1.547 57.670 56.100 0.038 0.000 0.960 108 R CB -0.678 29.643 30.300 0.036 0.000 0.856 108 R HN 0.303 nan 8.270 nan 0.000 0.436 109 I N 0.743 121.318 120.570 0.009 0.000 2.286 109 I HA -0.257 3.913 4.170 0.000 0.000 0.248 109 I C 2.604 178.704 176.117 -0.029 0.000 1.115 109 I CA 1.110 62.402 61.300 -0.014 0.000 1.392 109 I CB -0.363 37.618 38.000 -0.031 0.000 1.065 109 I HN 0.198 nan 8.210 nan 0.000 0.418 110 A N 0.470 123.265 122.820 -0.041 0.000 1.902 110 A HA -0.232 4.088 4.320 0.000 0.000 0.217 110 A C 2.232 179.805 177.584 -0.018 0.000 1.181 110 A CA 1.754 53.767 52.037 -0.040 0.000 0.623 110 A CB -0.528 18.448 19.000 -0.041 0.000 0.818 110 A HN 0.442 nan 8.150 nan 0.000 0.443 111 E N -0.333 119.864 120.200 -0.006 0.000 2.046 111 E HA -0.093 4.257 4.350 0.000 0.000 0.190 111 E C 1.945 178.539 176.600 -0.010 0.000 0.982 111 E CA 1.058 57.453 56.400 -0.008 0.000 0.800 111 E CB -0.273 29.422 29.700 -0.008 0.000 0.756 111 E HN 0.607 nan 8.360 nan 0.000 0.449 112 L N 1.086 122.305 121.223 -0.007 0.000 2.191 112 L HA -0.120 4.221 4.340 0.000 0.000 0.212 112 L C 2.386 179.251 176.870 -0.007 0.000 1.103 112 L CA 1.095 55.932 54.840 -0.006 0.000 0.769 112 L CB -0.252 41.807 42.059 0.000 0.000 0.908 112 L HN 0.135 nan 8.230 nan 0.000 0.438 113 S N -0.735 114.958 115.700 -0.012 0.000 2.605 113 S HA 0.203 4.673 4.470 0.000 0.000 0.217 113 S C 1.322 175.912 174.600 -0.016 0.000 0.958 113 S CA 0.177 58.369 58.200 -0.013 0.000 0.919 113 S CB 0.172 63.360 63.200 -0.019 0.000 0.780 113 S HN 0.473 nan 8.310 nan 0.000 0.507 114 G N 2.103 110.894 108.800 -0.015 0.000 2.298 114 G HA2 -0.319 3.641 3.960 0.000 0.000 0.287 114 G HA3 -0.319 3.641 3.960 0.000 0.000 0.287 114 G C 0.180 175.069 174.900 -0.019 0.000 1.075 114 G CA 0.040 45.130 45.100 -0.016 0.000 0.960 114 G HN 0.960 nan 8.290 nan 0.000 0.502 115 N N -1.455 117.233 118.700 -0.021 0.000 2.740 115 N HA -0.190 4.550 4.740 0.000 0.000 0.248 115 N C 0.807 176.297 175.510 -0.033 0.000 1.062 115 N CA 1.518 54.553 53.050 -0.025 0.000 0.704 115 N CB -0.305 38.172 38.487 -0.018 0.000 0.968 115 N HN 0.672 nan 8.380 nan 0.000 0.547 116 R N -0.447 120.031 120.500 -0.037 0.000 2.903 116 R HA 0.265 4.605 4.340 0.000 0.000 0.363 116 R C -1.716 174.551 176.300 -0.056 0.000 1.161 116 R CA -1.046 55.027 56.100 -0.045 0.000 1.109 116 R CB 0.601 30.879 30.300 -0.036 0.000 1.399 116 R HN 0.347 nan 8.270 nan 0.000 0.587 117 P HA -0.157 nan 4.420 nan 0.000 0.217 117 P C 1.403 178.644 177.300 -0.100 0.000 1.150 117 P CA 0.608 63.655 63.100 -0.088 0.000 0.832 117 P CB 0.424 32.055 31.700 -0.115 0.000 0.787 118 L N -0.012 121.135 121.223 -0.125 0.000 2.056 118 L HA -0.079 4.261 4.340 0.000 0.000 0.207 118 L C 2.306 179.124 176.870 -0.088 0.000 1.078 118 L CA 2.248 57.008 54.840 -0.134 0.000 0.749 118 L CB -1.724 40.223 42.059 -0.187 0.000 0.901 118 L HN -0.081 nan 8.230 nan 0.000 0.433 119 T N -0.710 113.798 114.554 -0.076 0.000 2.674 119 T HA -0.168 4.182 4.350 0.000 0.000 0.265 119 T C 1.922 176.611 174.700 -0.018 0.000 1.039 119 T CA 2.082 64.146 62.100 -0.060 0.000 1.150 119 T CB -0.532 68.298 68.868 -0.063 0.000 0.864 119 T HN 0.402 nan 8.240 nan 0.000 0.427 120 V N -0.150 119.759 119.914 -0.009 0.000 2.548 120 V HA 0.020 4.140 4.120 0.000 0.000 0.249 120 V C 2.213 178.316 176.094 0.015 0.000 1.055 120 V CA 1.244 63.562 62.300 0.029 0.000 1.065 120 V CB -0.943 30.888 31.823 0.013 0.000 0.681 120 V HN 0.456 nan 8.190 nan 0.000 0.462 121 I N -0.627 119.930 120.570 -0.022 0.000 2.286 121 I HA -0.125 4.045 4.170 0.000 0.000 0.245 121 I C 2.845 178.955 176.117 -0.012 0.000 1.104 121 I CA 1.595 62.873 61.300 -0.037 0.000 1.397 121 I CB -0.257 37.705 38.000 -0.064 0.000 1.072 121 I HN 0.238 nan 8.210 nan 0.000 0.417 122 M N -0.368 119.232 119.600 0.001 0.000 2.117 122 M HA -0.259 4.222 4.480 0.000 0.000 0.262 122 M C 2.422 178.764 176.300 0.070 0.000 1.065 122 M CA 1.815 57.135 55.300 0.033 0.000 1.114 122 M CB -1.463 31.099 32.600 -0.062 0.000 1.361 122 M HN 0.393 nan 8.290 nan 0.000 0.408 123 H N -0.486 118.538 119.070 -0.077 0.000 2.321 123 H HA -0.132 4.424 4.556 0.000 0.000 0.300 123 H C 1.633 176.988 175.328 0.046 0.000 1.087 123 H CA 1.905 57.929 56.048 -0.041 0.000 1.319 123 H CB 0.407 30.141 29.762 -0.048 0.000 1.379 123 H HN 0.270 nan 8.280 nan 0.000 0.501 124 T N 1.090 115.599 114.554 -0.075 0.000 2.684 124 T HA -0.140 4.211 4.350 0.000 0.000 0.267 124 T C 2.183 176.833 174.700 -0.083 0.000 1.036 124 T CA 1.516 63.533 62.100 -0.139 0.000 1.148 124 T CB -0.198 68.614 68.868 -0.093 0.000 0.863 124 T HN 0.294 nan 8.240 nan 0.000 0.436 125 I N -0.095 120.448 120.570 -0.046 0.000 2.252 125 I HA -0.098 4.073 4.170 0.000 0.000 0.245 125 I C 1.965 178.132 176.117 0.083 0.000 1.102 125 I CA 1.117 62.346 61.300 -0.118 0.000 1.385 125 I CB -0.294 37.586 38.000 -0.200 0.000 1.064 125 I HN 0.135 nan 8.210 nan 0.000 0.414 126 F N 0.909 120.848 119.950 -0.018 0.000 2.171 126 F HA -0.219 4.308 4.527 0.000 0.000 0.300 126 F C 2.690 178.511 175.800 0.036 0.000 1.090 126 F CA 1.299 59.334 58.000 0.059 0.000 1.293 126 F CB -0.574 38.499 39.000 0.120 0.000 1.013 126 F HN 0.101 nan 8.300 nan 0.000 0.486 127 Q N -0.196 119.687 119.800 0.137 0.000 2.083 127 Q HA -0.201 4.139 4.340 0.000 0.000 0.198 127 Q C 2.199 178.213 176.000 0.024 0.000 0.969 127 Q CA 1.438 57.263 55.803 0.036 0.000 0.838 127 Q CB -0.508 28.167 28.738 -0.104 0.000 0.900 127 Q HN 0.413 nan 8.270 nan 0.000 0.436 128 E N 1.108 121.315 120.200 0.011 0.000 2.110 128 E HA -0.138 4.213 4.350 0.000 0.000 0.193 128 E C 1.439 178.075 176.600 0.059 0.000 0.988 128 E CA 1.145 57.563 56.400 0.030 0.000 0.804 128 E CB 0.091 29.807 29.700 0.028 0.000 0.745 128 E HN 0.145 nan 8.360 nan 0.000 0.458 129 R N -0.082 120.451 120.500 0.056 0.000 2.317 129 R HA 0.048 4.388 4.340 0.000 0.000 0.208 129 R C 0.048 176.364 176.300 0.026 0.000 0.914 129 R CA 0.630 56.761 56.100 0.052 0.000 1.060 129 R CB 0.194 30.518 30.300 0.040 0.000 1.015 129 R HN 0.106 nan 8.270 nan 0.000 0.498 130 D N 0.147 120.567 120.400 0.034 0.000 2.837 130 D HA -0.186 4.454 4.640 0.000 0.000 0.230 130 D C 0.479 176.800 176.300 0.035 0.000 1.152 130 D CA 0.457 54.477 54.000 0.034 0.000 0.736 130 D CB -1.044 39.764 40.800 0.014 0.000 1.084 130 D HN 0.253 nan 8.370 nan 0.000 0.429 131 L N -0.669 120.579 121.223 0.042 0.000 2.201 131 L HA -0.103 4.237 4.340 0.000 0.000 0.212 131 L C 2.390 179.395 176.870 0.223 0.000 1.105 131 L CA 0.601 55.489 54.840 0.081 0.000 0.775 131 L CB -0.195 41.731 42.059 -0.222 0.000 0.913 131 L HN 0.200 nan 8.230 nan 0.000 0.440 132 L N -0.190 121.177 121.223 0.240 0.000 2.056 132 L HA -0.214 4.126 4.340 0.000 0.000 0.207 132 L C 2.603 179.562 176.870 0.149 0.000 1.078 132 L CA 1.597 56.582 54.840 0.242 0.000 0.749 132 L CB -0.567 41.627 42.059 0.225 0.000 0.901 132 L HN 0.169 nan 8.230 nan 0.000 0.433 133 K N -0.691 119.761 120.400 0.088 0.000 2.031 133 K HA -0.133 4.187 4.320 0.000 0.000 0.205 133 K C 2.073 178.659 176.600 -0.022 0.000 1.049 133 K CA 1.649 57.957 56.287 0.035 0.000 0.939 133 K CB -0.093 32.416 32.500 0.016 0.000 0.717 133 K HN 0.182 nan 8.250 nan 0.000 0.438 134 T N 0.391 114.891 114.554 -0.089 0.000 2.720 134 T HA -0.124 4.226 4.350 0.000 0.000 0.268 134 T C 0.917 175.350 174.700 -0.445 0.000 1.037 134 T CA 1.421 63.329 62.100 -0.319 0.000 1.144 134 T CB -0.172 68.409 68.868 -0.477 0.000 0.864 134 T HN 0.172 nan 8.240 nan 0.000 0.444 135 F N 0.875 120.859 119.950 0.055 0.000 2.647 135 F HA 0.403 4.930 4.527 0.001 0.000 0.300 135 F C 0.776 176.621 175.800 0.074 0.000 1.106 135 F CA -0.697 57.347 58.000 0.072 0.000 1.313 135 F CB -0.282 38.781 39.000 0.106 0.000 1.007 135 F HN -0.075 nan 8.300 nan 0.000 0.536 136 K N 1.094 121.590 120.400 0.159 0.000 3.156 136 K HA -0.215 4.105 4.320 0.000 0.000 0.266 136 K C -0.381 176.297 176.600 0.130 0.000 0.966 136 K CA 0.344 56.701 56.287 0.117 0.000 0.719 136 K CB -1.815 30.738 32.500 0.088 0.000 1.333 136 K HN 0.352 nan 8.250 nan 0.000 0.468 137 I N 1.623 122.289 120.570 0.160 0.000 2.337 137 I HA 0.144 4.314 4.170 0.000 0.000 0.291 137 I C -1.828 174.341 176.117 0.087 0.000 1.046 137 I CA -2.371 59.004 61.300 0.125 0.000 1.324 137 I CB 0.532 38.639 38.000 0.178 0.000 1.409 137 I HN -0.109 nan 8.210 nan 0.000 0.494 138 P HA -0.026 nan 4.420 nan 0.000 0.267 138 P C 0.855 178.168 177.300 0.021 0.000 1.205 138 P CA -0.014 63.107 63.100 0.034 0.000 0.765 138 P CB 1.102 32.813 31.700 0.017 0.000 0.828 139 V N 2.893 122.822 119.914 0.025 0.000 2.332 139 V HA -0.244 3.876 4.120 0.000 0.000 0.248 139 V C 1.417 177.474 176.094 -0.062 0.000 1.055 139 V CA 2.181 64.479 62.300 -0.003 0.000 1.038 139 V CB -0.698 31.139 31.823 0.023 0.000 0.651 139 V HN 0.477 nan 8.190 nan 0.000 0.450 140 D N -0.604 119.773 120.400 -0.039 0.000 2.178 140 D HA -0.115 4.525 4.640 0.000 0.000 0.202 140 D C 2.225 178.500 176.300 -0.042 0.000 0.974 140 D CA 1.795 55.767 54.000 -0.047 0.000 0.841 140 D CB -0.320 40.465 40.800 -0.025 0.000 0.953 140 D HN 0.488 nan 8.370 nan 0.000 0.478 141 T N 1.233 115.769 114.554 -0.030 0.000 2.777 141 T HA -0.118 4.232 4.350 0.000 0.000 0.266 141 T C 1.929 176.610 174.700 -0.032 0.000 1.040 141 T CA 0.411 62.496 62.100 -0.025 0.000 1.141 141 T CB -0.264 68.586 68.868 -0.030 0.000 0.868 141 T HN 0.040 nan 8.240 nan 0.000 0.444 142 L N 1.281 122.465 121.223 -0.064 0.000 2.017 142 L HA -0.035 4.306 4.340 0.000 0.000 0.208 142 L C 2.063 178.874 176.870 -0.098 0.000 1.073 142 L CA 1.618 56.397 54.840 -0.102 0.000 0.745 142 L CB -0.709 41.266 42.059 -0.140 0.000 0.894 142 L HN 0.154 nan 8.230 nan 0.000 0.432 143 I N -0.704 119.782 120.570 -0.140 0.000 2.252 143 I HA -0.234 3.936 4.170 0.000 0.000 0.245 143 I C 2.349 178.418 176.117 -0.081 0.000 1.102 143 I CA 1.554 62.764 61.300 -0.151 0.000 1.385 143 I CB -1.834 36.052 38.000 -0.191 0.000 1.064 143 I HN 0.304 nan 8.210 nan 0.000 0.414 144 T N 0.379 114.907 114.554 -0.043 0.000 2.708 144 T HA -0.237 4.114 4.350 0.000 0.000 0.266 144 T C 1.882 176.582 174.700 0.000 0.000 1.037 144 T CA 1.514 63.604 62.100 -0.016 0.000 1.146 144 T CB -0.547 68.323 68.868 0.004 0.000 0.865 144 T HN 0.313 nan 8.240 nan 0.000 0.435 145 Y N 1.744 122.001 120.300 -0.072 0.000 2.145 145 Y HA -0.056 4.495 4.550 0.000 0.000 0.286 145 Y C 2.017 177.890 175.900 -0.046 0.000 1.145 145 Y CA 1.066 59.131 58.100 -0.058 0.000 1.148 145 Y CB -0.564 37.843 38.460 -0.087 0.000 0.981 145 Y HN 0.111 nan 8.280 nan 0.000 0.507 146 L N -0.678 120.470 121.223 -0.126 0.000 2.042 146 L HA -0.289 4.051 4.340 0.000 0.000 0.210 146 L C 2.503 179.262 176.870 -0.184 0.000 1.076 146 L CA 1.369 56.099 54.840 -0.182 0.000 0.749 146 L CB -0.538 41.457 42.059 -0.106 0.000 0.893 146 L HN 0.320 nan 8.230 nan 0.000 0.432 147 M N -1.059 118.463 119.600 -0.130 0.000 2.175 147 M HA -0.137 4.343 4.480 0.000 0.000 0.264 147 M C 2.322 178.576 176.300 -0.077 0.000 1.063 147 M CA 1.692 56.940 55.300 -0.086 0.000 1.119 147 M CB -1.247 31.316 32.600 -0.062 0.000 1.377 147 M HN 0.249 nan 8.290 nan 0.000 0.415 148 T N 1.597 116.082 114.554 -0.114 0.000 2.737 148 T HA -0.118 4.232 4.350 0.000 0.000 0.265 148 T C 1.863 176.541 174.700 -0.037 0.000 1.038 148 T CA 1.111 63.177 62.100 -0.056 0.000 1.144 148 T CB -0.386 68.427 68.868 -0.091 0.000 0.866 148 T HN 0.224 nan 8.240 nan 0.000 0.434 149 L N 1.422 122.461 121.223 -0.307 0.000 2.012 149 L HA -0.057 4.283 4.340 0.000 0.000 0.210 149 L C 2.448 179.347 176.870 0.047 0.000 1.073 149 L CA 2.009 56.694 54.840 -0.257 0.000 0.748 149 L CB -0.661 41.101 42.059 -0.496 0.000 0.891 149 L HN 0.264 nan 8.230 nan 0.000 0.431 150 E N -0.824 119.394 120.200 0.030 0.000 2.118 150 E HA -0.262 4.088 4.350 0.000 0.000 0.195 150 E C 1.671 178.360 176.600 0.147 0.000 0.992 150 E CA 1.483 57.952 56.400 0.115 0.000 0.804 150 E CB -0.066 29.630 29.700 -0.007 0.000 0.741 150 E HN 0.547 nan 8.360 nan 0.000 0.458 151 D N -0.578 119.867 120.400 0.075 0.000 2.263 151 D HA -0.135 4.506 4.640 0.000 0.000 0.208 151 D C 1.087 177.345 176.300 -0.070 0.000 0.971 151 D CA 1.009 55.007 54.000 -0.004 0.000 0.867 151 D CB -0.178 40.585 40.800 -0.061 0.000 0.929 151 D HN 0.393 nan 8.370 nan 0.000 0.492 152 H N -1.767 117.315 119.070 0.020 0.000 2.539 152 H HA 0.125 4.681 4.556 0.000 0.000 0.267 152 H C -0.220 175.119 175.328 0.018 0.000 0.982 152 H CA 0.002 56.048 56.048 -0.005 0.000 1.146 152 H CB -0.077 29.640 29.762 -0.076 0.000 1.382 152 H HN 0.127 nan 8.280 nan 0.000 0.577 153 Y N 0.659 121.050 120.300 0.151 0.000 2.304 153 Y HA 0.107 4.657 4.550 0.000 0.000 0.327 153 Y C 0.683 176.728 175.900 0.241 0.000 1.209 153 Y CA -0.296 57.907 58.100 0.171 0.000 1.299 153 Y CB 0.556 39.050 38.460 0.057 0.000 1.249 153 Y HN 0.239 nan 8.280 nan 0.000 0.519 154 H N 1.882 121.063 119.070 0.185 0.000 2.620 154 H HA 0.230 4.786 4.556 0.001 0.000 0.313 154 H C 0.425 175.814 175.328 0.101 0.000 1.075 154 H CA -0.067 56.050 56.048 0.115 0.000 1.397 154 H CB 1.492 31.325 29.762 0.119 0.000 1.446 154 H HN 0.963 nan 8.280 nan 0.000 0.493 155 A N 3.210 126.118 122.820 0.147 0.000 2.015 155 A HA -0.178 4.143 4.320 0.000 0.000 0.219 155 A C 1.551 179.188 177.584 0.088 0.000 1.163 155 A CA 1.521 53.612 52.037 0.089 0.000 0.646 155 A CB -0.123 18.899 19.000 0.037 0.000 0.806 155 A HN 0.811 nan 8.150 nan 0.000 0.448 156 D N -0.892 119.574 120.400 0.109 0.000 2.342 156 D HA 0.161 4.801 4.640 0.000 0.000 0.221 156 D C -0.204 176.165 176.300 0.114 0.000 1.101 156 D CA -0.107 53.948 54.000 0.092 0.000 0.837 156 D CB -0.313 40.531 40.800 0.074 0.000 0.938 156 D HN 0.082 nan 8.370 nan 0.000 0.508 157 V N 1.312 121.313 119.914 0.144 0.000 2.370 157 V HA 0.473 4.593 4.120 0.000 0.000 0.279 157 V C 1.414 177.562 176.094 0.091 0.000 1.029 157 V CA -0.290 62.088 62.300 0.129 0.000 0.870 157 V CB 1.087 33.003 31.823 0.155 0.000 0.984 157 V HN 0.229 nan 8.190 nan 0.000 0.451 158 A N 4.101 126.960 122.820 0.065 0.000 1.969 158 A HA -0.141 4.179 4.320 0.000 0.000 0.218 158 A C 1.732 179.355 177.584 0.065 0.000 1.169 158 A CA 1.719 53.782 52.037 0.043 0.000 0.635 158 A CB -0.247 18.760 19.000 0.012 0.000 0.810 158 A HN 0.911 nan 8.150 nan 0.000 0.445 159 Y N -1.143 119.098 120.300 -0.099 0.000 2.447 159 Y HA 0.208 4.758 4.550 0.001 0.000 0.286 159 Y C 0.804 176.535 175.900 -0.283 0.000 1.153 159 Y CA 0.464 58.450 58.100 -0.190 0.000 1.241 159 Y CB 0.260 38.448 38.460 -0.453 0.000 1.284 159 Y HN 0.351 nan 8.280 nan 0.000 0.520 160 H N 2.085 121.136 119.070 -0.032 0.000 2.970 160 H HA 0.182 4.738 4.556 0.001 0.000 0.226 160 H C -0.757 174.584 175.328 0.022 0.000 1.909 160 H CA -0.142 55.808 56.048 -0.164 0.000 1.388 160 H CB -0.903 28.502 29.762 -0.594 0.000 1.773 160 H HN 0.404 nan 8.280 nan 0.000 0.559 161 N N -0.855 117.899 118.700 0.090 0.000 3.091 161 N HA 0.035 4.776 4.740 0.000 0.000 0.329 161 N C 1.014 176.415 175.510 -0.181 0.000 1.430 161 N CA -0.962 52.164 53.050 0.128 0.000 0.755 161 N CB 0.330 38.868 38.487 0.084 0.000 1.626 161 N HN 0.110 nan 8.380 nan 0.000 0.614 162 N N 0.147 118.689 118.700 -0.264 0.000 2.289 162 N HA -0.132 4.609 4.740 0.000 0.000 0.184 162 N C 1.174 176.469 175.510 -0.358 0.000 1.016 162 N CA 1.228 53.956 53.050 -0.537 0.000 0.872 162 N CB -0.515 37.821 38.487 -0.252 0.000 0.973 162 N HN 0.682 nan 8.380 nan 0.000 0.433 163 I N 0.342 120.806 120.570 -0.177 0.000 2.286 163 I HA -0.209 3.961 4.170 0.000 0.000 0.245 163 I C 2.619 178.705 176.117 -0.053 0.000 1.104 163 I CA 1.332 62.564 61.300 -0.114 0.000 1.397 163 I CB -0.569 37.388 38.000 -0.072 0.000 1.072 163 I HN 0.168 nan 8.210 nan 0.000 0.417 164 H N 1.644 120.611 119.070 -0.171 0.000 2.353 164 H HA -0.121 4.435 4.556 0.000 0.000 0.300 164 H C 2.173 177.306 175.328 -0.325 0.000 1.090 164 H CA 1.767 57.575 56.048 -0.400 0.000 1.327 164 H CB -0.034 29.364 29.762 -0.608 0.000 1.383 164 H HN 0.270 nan 8.280 nan 0.000 0.508 165 A N 0.979 123.503 122.820 -0.492 0.000 1.883 165 A HA -0.095 4.225 4.320 0.000 0.000 0.217 165 A C 2.657 180.032 177.584 -0.350 0.000 1.186 165 A CA 1.932 53.667 52.037 -0.503 0.000 0.624 165 A CB -1.451 17.056 19.000 -0.822 0.000 0.822 165 A HN 0.646 nan 8.150 nan 0.000 0.444 166 A N -0.172 122.456 122.820 -0.319 0.000 1.933 166 A HA -0.193 4.127 4.320 0.000 0.000 0.218 166 A C 1.848 179.309 177.584 -0.206 0.000 1.175 166 A CA 2.212 54.118 52.037 -0.219 0.000 0.628 166 A CB -0.664 18.221 19.000 -0.192 0.000 0.814 166 A HN 0.568 nan 8.150 nan 0.000 0.444 167 D N -0.546 119.703 120.400 -0.253 0.000 2.117 167 D HA -0.106 4.535 4.640 0.000 0.000 0.198 167 D C 1.761 177.878 176.300 -0.305 0.000 0.982 167 D CA 1.520 55.361 54.000 -0.265 0.000 0.828 167 D CB -0.085 40.547 40.800 -0.280 0.000 0.967 167 D HN 0.147 nan 8.370 nan 0.000 0.464 168 V N -0.145 119.547 119.914 -0.370 0.000 2.358 168 V HA -0.176 3.944 4.120 0.000 0.000 0.246 168 V C 2.649 178.647 176.094 -0.161 0.000 1.047 168 V CA 1.113 63.233 62.300 -0.300 0.000 1.035 168 V CB -0.336 31.271 31.823 -0.360 0.000 0.658 168 V HN 0.140 nan 8.190 nan 0.000 0.452 169 V N -0.119 119.723 119.914 -0.120 0.000 2.255 169 V HA -0.327 3.794 4.120 0.000 0.000 0.247 169 V C 2.556 178.657 176.094 0.011 0.000 1.051 169 V CA 2.447 64.728 62.300 -0.032 0.000 1.018 169 V CB -0.648 31.161 31.823 -0.024 0.000 0.641 169 V HN 0.567 nan 8.190 nan 0.000 0.445 170 Q N -0.308 119.474 119.800 -0.031 0.000 2.119 170 Q HA -0.166 4.174 4.340 0.000 0.000 0.201 170 Q C 2.379 178.419 176.000 0.068 0.000 0.972 170 Q CA 2.087 57.906 55.803 0.026 0.000 0.847 170 Q CB -0.109 28.603 28.738 -0.043 0.000 0.903 170 Q HN 0.676 nan 8.270 nan 0.000 0.433 171 S N -0.034 115.637 115.700 -0.048 0.000 2.368 171 S HA -0.093 4.377 4.470 0.000 0.000 0.224 171 S C 1.982 176.691 174.600 0.181 0.000 1.029 171 S CA 1.564 59.759 58.200 -0.008 0.000 0.988 171 S CB -0.388 62.686 63.200 -0.209 0.000 0.838 171 S HN 0.446 nan 8.310 nan 0.000 0.462 172 T N 0.865 115.463 114.554 0.074 0.000 2.720 172 T HA -0.174 4.177 4.350 0.000 0.000 0.268 172 T C 1.728 176.498 174.700 0.117 0.000 1.037 172 T CA 1.858 63.992 62.100 0.057 0.000 1.144 172 T CB -0.481 68.389 68.868 0.003 0.000 0.864 172 T HN 0.622 nan 8.240 nan 0.000 0.444 173 H N 0.840 119.949 119.070 0.064 0.000 2.352 173 H HA -0.038 4.519 4.556 0.000 0.000 0.299 173 H C 1.952 177.350 175.328 0.117 0.000 1.097 173 H CA 1.549 57.644 56.048 0.078 0.000 1.311 173 H CB -0.542 29.261 29.762 0.068 0.000 1.377 173 H HN 0.160 nan 8.280 nan 0.000 0.504 174 V N 0.610 120.550 119.914 0.043 0.000 2.379 174 V HA -0.201 3.920 4.120 0.000 0.000 0.245 174 V C 2.712 178.857 176.094 0.085 0.000 1.044 174 V CA 1.669 64.000 62.300 0.052 0.000 1.036 174 V CB -0.583 31.442 31.823 0.337 0.000 0.664 174 V HN 0.412 nan 8.190 nan 0.000 0.453 175 L N -0.688 120.633 121.223 0.162 0.000 2.083 175 L HA -0.178 4.162 4.340 0.000 0.000 0.209 175 L C 2.379 179.351 176.870 0.171 0.000 1.083 175 L CA 1.391 56.326 54.840 0.159 0.000 0.752 175 L CB -0.519 41.581 42.059 0.068 0.000 0.899 175 L HN 0.307 nan 8.230 nan 0.000 0.433 176 L N -0.776 120.506 121.223 0.099 0.000 2.191 176 L HA -0.155 4.186 4.340 0.000 0.000 0.212 176 L C 2.212 179.141 176.870 0.098 0.000 1.103 176 L CA 0.888 55.797 54.840 0.114 0.000 0.769 176 L CB -0.254 41.843 42.059 0.063 0.000 0.908 176 L HN 0.214 nan 8.230 nan 0.000 0.438 177 S N -1.979 113.728 115.700 0.012 0.000 2.593 177 S HA -0.028 4.443 4.470 0.000 0.000 0.217 177 S C 0.927 175.543 174.600 0.027 0.000 0.966 177 S CA -0.005 58.191 58.200 -0.007 0.000 0.914 177 S CB -0.248 62.892 63.200 -0.098 0.000 0.776 177 S HN 0.330 nan 8.310 nan 0.000 0.523 178 T N 3.614 118.209 114.554 0.069 0.000 2.934 178 T HA 0.088 4.438 4.350 0.000 0.000 0.306 178 T C -1.622 173.094 174.700 0.027 0.000 1.042 178 T CA -1.414 60.721 62.100 0.058 0.000 1.145 178 T CB 0.604 69.541 68.868 0.115 0.000 0.982 178 T HN -0.004 nan 8.240 nan 0.000 0.544 179 P HA -0.118 nan 4.420 nan 0.000 0.216 179 P C 1.207 178.488 177.300 -0.032 0.000 1.154 179 P CA 1.344 64.433 63.100 -0.019 0.000 0.865 179 P CB -0.036 31.645 31.700 -0.032 0.000 0.789 180 A N -1.244 121.548 122.820 -0.046 0.000 2.125 180 A HA -0.093 4.227 4.320 0.000 0.000 0.219 180 A C 1.840 179.379 177.584 -0.075 0.000 1.156 180 A CA 1.187 53.179 52.037 -0.075 0.000 0.671 180 A CB -1.265 17.667 19.000 -0.113 0.000 0.794 180 A HN 0.201 nan 8.150 nan 0.000 0.459 181 L N -0.606 120.599 121.223 -0.031 0.000 2.769 181 L HA 0.189 4.529 4.340 0.000 0.000 0.240 181 L C 0.585 177.444 176.870 -0.017 0.000 1.163 181 L CA -0.315 54.510 54.840 -0.026 0.000 0.962 181 L CB 0.059 42.188 42.059 0.115 0.000 1.258 181 L HN 0.378 nan 8.230 nan 0.000 0.513 182 E N 1.541 121.730 120.200 -0.019 0.000 2.480 182 E HA 0.106 4.456 4.350 0.000 0.000 0.258 182 E C 1.101 177.683 176.600 -0.030 0.000 0.984 182 E CA 0.747 57.142 56.400 -0.009 0.000 0.930 182 E CB 0.511 30.204 29.700 -0.013 0.000 0.936 182 E HN 0.324 nan 8.360 nan 0.000 0.466 183 A N 2.849 125.664 122.820 -0.008 0.000 2.979 183 A HA -0.230 4.090 4.320 0.000 0.000 0.260 183 A C 1.108 178.653 177.584 -0.065 0.000 1.282 183 A CA 1.093 53.119 52.037 -0.019 0.000 0.971 183 A CB -2.035 16.951 19.000 -0.024 0.000 1.124 183 A HN 0.480 nan 8.150 nan 0.000 0.826 184 V N -1.659 118.173 119.914 -0.137 0.000 2.346 184 V HA 0.093 4.213 4.120 0.000 0.000 0.244 184 V C 1.255 177.122 176.094 -0.379 0.000 1.037 184 V CA 1.869 63.967 62.300 -0.337 0.000 1.029 184 V CB -0.395 31.082 31.823 -0.577 0.000 0.663 184 V HN 0.519 nan 8.190 nan 0.000 0.454 185 F N 0.794 120.763 119.950 0.031 0.000 2.397 185 F HA 0.465 4.992 4.527 0.000 0.000 0.331 185 F C 1.027 176.857 175.800 0.050 0.000 1.090 185 F CA -0.935 57.092 58.000 0.045 0.000 1.065 185 F CB 0.715 39.748 39.000 0.055 0.000 1.184 185 F HN -0.004 nan 8.300 nan 0.000 0.499 186 T N -2.154 112.561 114.554 0.270 0.000 2.788 186 T HA 0.120 4.470 4.350 0.000 0.000 0.287 186 T C 0.774 175.594 174.700 0.199 0.000 1.007 186 T CA -0.719 61.490 62.100 0.183 0.000 1.005 186 T CB 0.765 69.729 68.868 0.160 0.000 1.012 186 T HN 0.495 nan 8.240 nan 0.000 0.530 187 D N -0.074 120.436 120.400 0.183 0.000 2.144 187 D HA -0.073 4.568 4.640 0.000 0.000 0.199 187 D C 1.895 178.428 176.300 0.389 0.000 0.984 187 D CA 0.722 54.870 54.000 0.248 0.000 0.834 187 D CB -0.246 40.636 40.800 0.137 0.000 0.955 187 D HN 0.392 nan 8.370 nan 0.000 0.465 188 L N 1.202 122.648 121.223 0.372 0.000 2.093 188 L HA -0.117 4.223 4.340 0.000 0.000 0.208 188 L C 1.969 178.874 176.870 0.058 0.000 1.085 188 L CA 1.623 56.571 54.840 0.180 0.000 0.755 188 L CB -0.240 41.903 42.059 0.141 0.000 0.904 188 L HN -0.078 nan 8.230 nan 0.000 0.435 189 E N -0.589 119.679 120.200 0.113 0.000 2.106 189 E HA -0.198 4.152 4.350 0.000 0.000 0.192 189 E C 2.252 178.845 176.600 -0.012 0.000 0.984 189 E CA 1.462 57.901 56.400 0.065 0.000 0.806 189 E CB -0.144 29.650 29.700 0.156 0.000 0.750 189 E HN 0.519 nan 8.360 nan 0.000 0.458 190 I N 0.681 121.278 120.570 0.044 0.000 2.179 190 I HA -0.260 3.911 4.170 0.000 0.000 0.242 190 I C 2.390 178.514 176.117 0.012 0.000 1.088 190 I CA 0.576 61.890 61.300 0.023 0.000 1.357 190 I CB -0.129 37.924 38.000 0.089 0.000 1.051 190 I HN 0.148 nan 8.210 nan 0.000 0.409 191 L N 1.117 122.343 121.223 0.006 0.000 2.042 191 L HA -0.193 4.147 4.340 0.000 0.000 0.210 191 L C 2.547 179.442 176.870 0.042 0.000 1.076 191 L CA 2.202 57.014 54.840 -0.047 0.000 0.749 191 L CB -0.806 41.102 42.059 -0.251 0.000 0.893 191 L HN 0.210 nan 8.230 nan 0.000 0.432 192 A N -0.533 122.284 122.820 -0.004 0.000 1.877 192 A HA -0.132 4.188 4.320 0.000 0.000 0.216 192 A C 2.452 180.099 177.584 0.106 0.000 1.186 192 A CA 2.000 54.069 52.037 0.053 0.000 0.620 192 A CB -1.236 17.772 19.000 0.013 0.000 0.822 192 A HN 0.588 nan 8.150 nan 0.000 0.443 193 A N -0.316 122.520 122.820 0.027 0.000 1.930 193 A HA -0.037 4.284 4.320 0.000 0.000 0.217 193 A C 2.126 179.745 177.584 0.057 0.000 1.175 193 A CA 1.510 53.546 52.037 -0.002 0.000 0.627 193 A CB -0.548 18.391 19.000 -0.101 0.000 0.815 193 A HN 0.504 nan 8.150 nan 0.000 0.443 194 I N -2.137 118.499 120.570 0.110 0.000 2.286 194 I HA -0.160 4.010 4.170 0.000 0.000 0.245 194 I C 2.325 178.593 176.117 0.251 0.000 1.104 194 I CA 1.287 62.690 61.300 0.171 0.000 1.397 194 I CB -0.320 37.795 38.000 0.192 0.000 1.072 194 I HN 0.422 nan 8.210 nan 0.000 0.417 195 F N 1.979 122.037 119.950 0.181 0.000 2.134 195 F HA -0.216 4.312 4.527 0.000 0.000 0.299 195 F C 2.484 178.357 175.800 0.123 0.000 1.097 195 F CA 1.383 59.510 58.000 0.211 0.000 1.264 195 F CB -0.361 38.806 39.000 0.278 0.000 1.001 195 F HN -0.001 nan 8.300 nan 0.000 0.479 196 A N -0.427 122.457 122.820 0.107 0.000 1.908 196 A HA -0.201 4.119 4.320 0.000 0.000 0.218 196 A C 2.367 179.936 177.584 -0.024 0.000 1.181 196 A CA 2.180 54.211 52.037 -0.011 0.000 0.627 196 A CB -1.332 17.704 19.000 0.060 0.000 0.818 196 A HN 0.445 nan 8.150 nan 0.000 0.445 197 S N -0.178 115.527 115.700 0.008 0.000 2.382 197 S HA -0.056 4.414 4.470 0.000 0.000 0.228 197 S C 2.273 176.930 174.600 0.095 0.000 1.027 197 S CA 1.211 59.429 58.200 0.030 0.000 0.991 197 S CB -0.464 62.728 63.200 -0.012 0.000 0.823 197 S HN 0.815 nan 8.310 nan 0.000 0.469 198 A N 1.740 124.552 122.820 -0.013 0.000 1.930 198 A HA -0.004 4.316 4.320 0.000 0.000 0.217 198 A C 2.067 179.619 177.584 -0.053 0.000 1.175 198 A CA 1.418 53.424 52.037 -0.050 0.000 0.627 198 A CB -0.671 18.300 19.000 -0.049 0.000 0.815 198 A HN 0.685 nan 8.150 nan 0.000 0.443 199 I N -3.010 117.439 120.570 -0.201 0.000 3.883 199 I HA 0.045 4.215 4.170 0.000 0.000 0.326 199 I C 1.932 177.960 176.117 -0.148 0.000 1.283 199 I CA 0.746 61.916 61.300 -0.217 0.000 1.161 199 I CB -0.564 37.148 38.000 -0.479 0.000 1.012 199 I HN 0.506 nan 8.210 nan 0.000 0.421 200 H N 0.604 119.615 119.070 -0.097 0.000 2.489 200 H HA -0.110 4.447 4.556 0.000 0.000 0.295 200 H C 0.120 175.302 175.328 -0.242 0.000 1.082 200 H CA 1.457 57.457 56.048 -0.081 0.000 1.295 200 H CB -0.102 29.643 29.762 -0.029 0.000 1.380 200 H HN 0.396 nan 8.280 nan 0.000 0.548 201 D N 1.149 121.035 120.400 -0.857 0.000 2.563 201 D HA 0.124 4.764 4.640 0.000 0.000 0.237 201 D C -0.131 175.677 176.300 -0.820 0.000 1.282 201 D CA -0.277 53.090 54.000 -1.056 0.000 0.816 201 D CB 0.845 41.443 40.800 -0.338 0.000 1.066 201 D HN 0.115 nan 8.370 nan 0.000 0.501 202 V N 1.385 120.816 119.914 -0.804 0.000 2.673 202 V HA -0.007 4.113 4.120 0.000 0.000 0.303 202 V C 0.695 176.572 176.094 -0.363 0.000 1.046 202 V CA 0.739 62.397 62.300 -1.070 0.000 1.126 202 V CB 0.813 32.198 31.823 -0.730 0.000 0.934 202 V HN 0.355 nan 8.190 nan 0.000 0.487 203 D N 2.987 123.203 120.400 -0.307 0.000 2.981 203 D HA -0.217 4.424 4.640 0.000 0.000 0.223 203 D C 0.126 176.418 176.300 -0.013 0.000 1.151 203 D CA 1.222 55.254 54.000 0.053 0.000 0.827 203 D CB -1.522 39.395 40.800 0.195 0.000 1.101 203 D HN 0.875 nan 8.370 nan 0.000 0.426 204 H N 0.054 119.020 119.070 -0.173 0.000 2.929 204 H HA 0.152 4.708 4.556 0.001 0.000 0.317 204 H C -1.503 173.590 175.328 -0.391 0.000 1.031 204 H CA -0.424 55.577 56.048 -0.079 0.000 1.466 204 H CB 1.277 31.029 29.762 -0.017 0.000 1.482 204 H HN 0.127 nan 8.280 nan 0.000 0.561 205 P HA 0.087 nan 4.420 nan 0.000 0.249 205 P C 0.620 178.003 177.300 0.138 0.000 1.229 205 P CA 1.095 64.184 63.100 -0.017 0.000 0.788 205 P CB 0.538 32.256 31.700 0.030 0.000 1.072 206 G N -0.196 108.822 108.800 0.364 0.000 2.132 206 G HA2 -0.152 3.808 3.960 0.000 0.000 0.234 206 G HA3 -0.152 3.808 3.960 0.000 0.000 0.234 206 G C 0.007 174.997 174.900 0.150 0.000 0.989 206 G CA 0.077 45.315 45.100 0.230 0.000 0.676 206 G HN 0.558 nan 8.290 nan 0.000 0.522 207 V N -2.010 117.985 119.914 0.135 0.000 2.962 207 V HA 0.953 5.073 4.120 0.000 0.000 0.313 207 V C 0.535 176.683 176.094 0.090 0.000 1.099 207 V CA -0.159 62.122 62.300 -0.032 0.000 0.971 207 V CB 1.562 33.170 31.823 -0.358 0.000 1.028 207 V HN 1.427 nan 8.190 nan 0.000 0.430 208 S N 1.763 117.515 115.700 0.087 0.000 2.624 208 S HA 0.272 4.742 4.470 0.000 0.000 0.263 208 S C 0.792 175.449 174.600 0.095 0.000 1.287 208 S CA -0.080 58.178 58.200 0.095 0.000 0.990 208 S CB 0.593 63.827 63.200 0.057 0.000 0.950 208 S HN 0.811 nan 8.310 nan 0.000 0.561 209 N N 0.819 119.549 118.700 0.049 0.000 2.104 209 N HA -0.153 4.588 4.740 0.000 0.000 0.190 209 N C 1.734 177.275 175.510 0.052 0.000 1.024 209 N CA 1.589 54.657 53.050 0.031 0.000 0.853 209 N CB -0.752 37.744 38.487 0.016 0.000 1.008 209 N HN 0.766 nan 8.380 nan 0.000 0.424 210 Q N 0.020 119.855 119.800 0.058 0.000 2.084 210 Q HA -0.029 4.311 4.340 0.000 0.000 0.202 210 Q C 1.844 177.884 176.000 0.067 0.000 0.978 210 Q CA 1.103 56.933 55.803 0.046 0.000 0.844 210 Q CB -0.539 28.217 28.738 0.031 0.000 0.898 210 Q HN 0.404 nan 8.270 nan 0.000 0.426 211 F N -0.203 119.733 119.950 -0.023 0.000 2.134 211 F HA -0.149 4.378 4.527 0.001 0.000 0.299 211 F C 1.524 177.317 175.800 -0.013 0.000 1.097 211 F CA 1.299 59.290 58.000 -0.014 0.000 1.264 211 F CB -0.128 38.869 39.000 -0.004 0.000 1.001 211 F HN 0.091 nan 8.300 nan 0.000 0.479 212 L N -0.128 121.193 121.223 0.165 0.000 2.083 212 L HA -0.234 4.107 4.340 0.000 0.000 0.209 212 L C 2.415 179.253 176.870 -0.053 0.000 1.083 212 L CA 1.340 56.212 54.840 0.054 0.000 0.752 212 L CB -0.633 41.467 42.059 0.069 0.000 0.899 212 L HN 0.212 nan 8.230 nan 0.000 0.433 213 I N -0.293 120.253 120.570 -0.040 0.000 2.233 213 I HA -0.236 3.934 4.170 0.000 0.000 0.243 213 I C 2.079 178.141 176.117 -0.093 0.000 1.093 213 I CA 0.956 62.226 61.300 -0.049 0.000 1.380 213 I CB -0.332 37.655 38.000 -0.022 0.000 1.067 213 I HN 0.296 nan 8.210 nan 0.000 0.413 214 N N 0.337 118.957 118.700 -0.133 0.000 2.309 214 N HA -0.120 4.620 4.740 0.000 0.000 0.182 214 N C 1.664 177.039 175.510 -0.225 0.000 1.018 214 N CA 1.816 54.768 53.050 -0.163 0.000 0.876 214 N CB -0.455 37.930 38.487 -0.170 0.000 0.972 214 N HN 0.445 nan 8.380 nan 0.000 0.434 215 T N -2.217 112.140 114.554 -0.328 0.000 3.122 215 T HA 0.128 4.478 4.350 0.000 0.000 0.250 215 T C 0.196 174.792 174.700 -0.173 0.000 1.067 215 T CA -0.433 61.475 62.100 -0.320 0.000 0.966 215 T CB -0.147 68.393 68.868 -0.546 0.000 1.002 215 T HN 0.038 nan 8.240 nan 0.000 0.542 216 N N 2.208 120.831 118.700 -0.128 0.000 2.727 216 N HA -0.163 4.577 4.740 0.000 0.000 0.249 216 N C 0.117 175.588 175.510 -0.065 0.000 1.048 216 N CA 1.051 54.053 53.050 -0.079 0.000 0.714 216 N CB -1.883 36.564 38.487 -0.065 0.000 0.959 216 N HN 0.901 nan 8.380 nan 0.000 0.544 217 S N -0.852 114.810 115.700 -0.065 0.000 2.576 217 S HA 0.149 4.619 4.470 0.000 0.000 0.272 217 S C 1.369 175.948 174.600 -0.036 0.000 1.352 217 S CA -0.449 57.729 58.200 -0.037 0.000 1.021 217 S CB 1.661 64.853 63.200 -0.013 0.000 0.887 217 S HN 0.114 nan 8.310 nan 0.000 0.542 218 E N 0.739 120.919 120.200 -0.034 0.000 2.110 218 E HA -0.091 4.259 4.350 0.000 0.000 0.193 218 E C 1.873 178.433 176.600 -0.067 0.000 0.988 218 E CA 1.036 57.406 56.400 -0.049 0.000 0.804 218 E CB -0.462 29.211 29.700 -0.044 0.000 0.745 218 E HN 0.702 nan 8.360 nan 0.000 0.458 219 L N 0.229 121.416 121.223 -0.059 0.000 2.017 219 L HA -0.164 4.176 4.340 0.000 0.000 0.208 219 L C 2.498 179.388 176.870 0.035 0.000 1.073 219 L CA 1.228 56.046 54.840 -0.036 0.000 0.745 219 L CB -0.418 41.599 42.059 -0.071 0.000 0.894 219 L HN 0.065 nan 8.230 nan 0.000 0.432 220 A N -0.339 122.488 122.820 0.012 0.000 1.930 220 A HA -0.141 4.179 4.320 0.000 0.000 0.217 220 A C 2.227 179.813 177.584 0.002 0.000 1.175 220 A CA 1.235 53.287 52.037 0.024 0.000 0.627 220 A CB -0.578 18.420 19.000 -0.003 0.000 0.815 220 A HN 0.358 nan 8.150 nan 0.000 0.443 221 L N -1.294 119.908 121.223 -0.034 0.000 2.093 221 L HA -0.158 4.182 4.340 0.000 0.000 0.208 221 L C 2.796 179.611 176.870 -0.092 0.000 1.085 221 L CA 1.677 56.486 54.840 -0.052 0.000 0.755 221 L CB -0.342 41.684 42.059 -0.055 0.000 0.904 221 L HN 0.601 nan 8.230 nan 0.000 0.435 222 M N -1.149 118.354 119.600 -0.162 0.000 2.132 222 M HA -0.241 4.239 4.480 0.000 0.000 0.263 222 M C 1.358 177.411 176.300 -0.411 0.000 1.065 222 M CA 1.947 57.040 55.300 -0.346 0.000 1.122 222 M CB 0.004 32.276 32.600 -0.547 0.000 1.365 222 M HN 0.105 nan 8.290 nan 0.000 0.411 223 Y N 0.947 121.236 120.300 -0.020 0.000 2.524 223 Y HA 0.261 4.811 4.550 0.000 0.000 0.266 223 Y C 0.309 176.203 175.900 -0.010 0.000 1.180 223 Y CA -0.538 57.556 58.100 -0.011 0.000 1.244 223 Y CB -0.350 38.101 38.460 -0.015 0.000 1.125 223 Y HN 0.376 nan 8.280 nan 0.000 0.524 224 N N 1.338 120.085 118.700 0.077 0.000 2.727 224 N HA -0.240 4.500 4.740 0.000 0.000 0.249 224 N C -0.619 174.923 175.510 0.054 0.000 1.048 224 N CA 1.346 54.425 53.050 0.048 0.000 0.714 224 N CB -1.131 37.382 38.487 0.042 0.000 0.959 224 N HN 0.474 nan 8.380 nan 0.000 0.544 225 D N -2.463 117.970 120.400 0.056 0.000 3.070 225 D HA -0.168 4.473 4.640 0.000 0.000 0.220 225 D C -0.682 175.641 176.300 0.038 0.000 1.176 225 D CA 1.585 55.608 54.000 0.038 0.000 0.924 225 D CB -1.435 39.375 40.800 0.018 0.000 1.124 225 D HN 0.506 nan 8.370 nan 0.000 0.411 226 S N -0.273 115.460 115.700 0.055 0.000 2.498 226 S HA 0.418 4.888 4.470 0.000 0.000 0.324 226 S C 0.371 174.976 174.600 0.008 0.000 1.071 226 S CA -0.470 57.752 58.200 0.036 0.000 1.113 226 S CB 1.934 65.161 63.200 0.046 0.000 0.976 226 S HN 0.161 nan 8.310 nan 0.000 0.462 227 S N 1.409 117.102 115.700 -0.012 0.000 3.477 227 S HA -0.138 4.332 4.470 0.000 0.000 0.371 227 S C 1.389 175.910 174.600 -0.132 0.000 0.965 227 S CA 0.381 58.551 58.200 -0.049 0.000 1.239 227 S CB -1.641 61.533 63.200 -0.044 0.000 0.918 227 S HN 0.634 nan 8.310 nan 0.000 0.498 228 V N 0.620 120.478 119.914 -0.093 0.000 2.231 228 V HA -0.269 3.851 4.120 0.000 0.000 0.248 228 V C 2.261 178.196 176.094 -0.266 0.000 1.054 228 V CA 2.565 64.798 62.300 -0.112 0.000 1.015 228 V CB -0.490 31.329 31.823 -0.006 0.000 0.638 228 V HN 0.688 nan 8.190 nan 0.000 0.444 229 L N -0.584 120.486 121.223 -0.256 0.000 2.046 229 L HA -0.186 4.154 4.340 0.000 0.000 0.208 229 L C 2.607 179.062 176.870 -0.692 0.000 1.077 229 L CA 1.534 56.089 54.840 -0.475 0.000 0.747 229 L CB -0.574 41.256 42.059 -0.382 0.000 0.896 229 L HN 0.327 nan 8.230 nan 0.000 0.432 230 E N -0.128 119.891 120.200 -0.301 0.000 2.110 230 E HA -0.167 4.183 4.350 0.000 0.000 0.193 230 E C 1.994 178.484 176.600 -0.183 0.000 0.988 230 E CA 0.830 57.175 56.400 -0.092 0.000 0.804 230 E CB -0.216 29.504 29.700 0.033 0.000 0.745 230 E HN 0.340 nan 8.360 nan 0.000 0.458 231 N N -0.032 118.455 118.700 -0.355 0.000 2.120 231 N HA -0.184 4.556 4.740 0.000 0.000 0.188 231 N C 1.797 177.051 175.510 -0.427 0.000 1.024 231 N CA 1.247 54.009 53.050 -0.479 0.000 0.852 231 N CB -0.243 37.642 38.487 -1.004 0.000 1.003 231 N HN 0.262 nan 8.380 nan 0.000 0.424 232 H N 0.821 119.526 119.070 -0.607 0.000 2.357 232 H HA -0.045 4.511 4.556 0.000 0.000 0.301 232 H C 1.822 177.065 175.328 -0.142 0.000 1.082 232 H CA 1.721 57.615 56.048 -0.256 0.000 1.342 232 H CB -0.132 29.499 29.762 -0.218 0.000 1.389 232 H HN 0.293 nan 8.280 nan 0.000 0.511 233 H N -0.054 118.904 119.070 -0.187 0.000 2.352 233 H HA -0.109 4.447 4.556 0.001 0.000 0.299 233 H C 2.626 177.830 175.328 -0.207 0.000 1.097 233 H CA 1.455 57.362 56.048 -0.235 0.000 1.311 233 H CB -0.561 29.121 29.762 -0.134 0.000 1.377 233 H HN 0.349 nan 8.280 nan 0.000 0.504 234 L N 0.172 121.394 121.223 -0.002 0.000 2.017 234 L HA -0.155 4.185 4.340 0.000 0.000 0.208 234 L C 2.895 179.836 176.870 0.118 0.000 1.073 234 L CA 1.109 55.959 54.840 0.016 0.000 0.745 234 L CB -0.532 41.620 42.059 0.155 0.000 0.894 234 L HN 0.227 nan 8.230 nan 0.000 0.432 235 A N -0.533 122.362 122.820 0.124 0.000 1.908 235 A HA -0.174 4.146 4.320 0.000 0.000 0.218 235 A C 2.310 179.951 177.584 0.094 0.000 1.181 235 A CA 2.036 54.183 52.037 0.184 0.000 0.627 235 A CB -0.894 18.228 19.000 0.204 0.000 0.818 235 A HN 0.215 nan 8.150 nan 0.000 0.445 236 V N -0.171 119.688 119.914 -0.092 0.000 2.307 236 V HA -0.151 3.970 4.120 0.000 0.000 0.245 236 V C 2.850 178.896 176.094 -0.080 0.000 1.045 236 V CA 1.914 64.128 62.300 -0.144 0.000 1.024 236 V CB -1.519 30.117 31.823 -0.312 0.000 0.651 236 V HN 0.612 nan 8.190 nan 0.000 0.449 237 G N -0.659 108.078 108.800 -0.105 0.000 2.440 237 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 237 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 237 G C 1.442 176.420 174.900 0.130 0.000 1.154 237 G CA 0.953 46.005 45.100 -0.082 0.000 0.767 237 G HN 0.451 nan 8.290 nan 0.000 0.552 238 F N 0.881 120.963 119.950 0.220 0.000 2.234 238 F HA 0.158 4.685 4.527 0.000 0.000 0.296 238 F C 2.465 178.362 175.800 0.161 0.000 1.089 238 F CA 1.201 59.342 58.000 0.235 0.000 1.343 238 F CB -0.263 38.839 39.000 0.169 0.000 1.040 238 F HN 0.053 nan 8.300 nan 0.000 0.498 239 K N 1.110 121.679 120.400 0.283 0.000 2.103 239 K HA -0.119 4.201 4.320 0.000 0.000 0.207 239 K C 1.776 178.458 176.600 0.137 0.000 1.048 239 K CA 1.453 57.840 56.287 0.165 0.000 0.930 239 K CB -0.723 31.834 32.500 0.096 0.000 0.716 239 K HN 0.289 nan 8.250 nan 0.000 0.444 240 L N 0.400 121.705 121.223 0.137 0.000 2.275 240 L HA -0.085 4.255 4.340 0.000 0.000 0.215 240 L C 1.982 179.029 176.870 0.295 0.000 1.119 240 L CA 0.557 55.478 54.840 0.134 0.000 0.790 240 L CB -0.353 41.711 42.059 0.009 0.000 0.919 240 L HN 0.158 nan 8.230 nan 0.000 0.443 241 L N -0.648 120.766 121.223 0.317 0.000 2.353 241 L HA -0.202 4.138 4.340 0.000 0.000 0.220 241 L C 2.207 179.142 176.870 0.108 0.000 1.133 241 L CA 1.007 55.939 54.840 0.153 0.000 0.798 241 L CB -0.365 41.744 42.059 0.083 0.000 0.922 241 L HN 0.374 nan 8.230 nan 0.000 0.445 242 Q N -0.699 119.171 119.800 0.117 0.000 2.403 242 Q HA 0.030 4.370 4.340 0.000 0.000 0.203 242 Q C 0.215 176.256 176.000 0.068 0.000 0.932 242 Q CA 0.003 55.854 55.803 0.079 0.000 0.945 242 Q CB 0.318 29.101 28.738 0.074 0.000 1.045 242 Q HN 0.389 nan 8.270 nan 0.000 0.511 243 E N 1.587 121.836 120.200 0.081 0.000 2.392 243 E HA 0.005 4.356 4.350 0.000 0.000 0.256 243 E C -0.385 176.248 176.600 0.056 0.000 1.145 243 E CA -0.054 56.386 56.400 0.066 0.000 0.929 243 E CB 0.486 30.227 29.700 0.069 0.000 0.998 243 E HN 0.159 nan 8.360 nan 0.000 0.442 244 E N 1.484 121.710 120.200 0.043 0.000 2.480 244 E HA -0.160 4.191 4.350 0.000 0.000 0.258 244 E C -0.068 176.552 176.600 0.033 0.000 0.984 244 E CA 0.193 56.613 56.400 0.033 0.000 0.930 244 E CB 0.023 29.738 29.700 0.026 0.000 0.936 244 E HN 0.412 nan 8.360 nan 0.000 0.466 245 N N 2.892 121.607 118.700 0.025 0.000 2.735 245 N HA -0.217 4.523 4.740 0.000 0.000 0.248 245 N C -0.780 174.747 175.510 0.029 0.000 1.083 245 N CA 0.921 53.982 53.050 0.019 0.000 0.703 245 N CB -1.440 37.055 38.487 0.012 0.000 1.005 245 N HN 0.470 nan 8.380 nan 0.000 0.550 246 C N -1.187 118.140 119.300 0.045 0.000 3.336 246 C HA 0.255 4.715 4.460 0.000 0.000 0.291 246 C C 0.608 175.584 174.990 -0.023 0.000 1.363 246 C CA -0.548 58.528 59.018 0.095 0.000 1.737 246 C CB -0.417 27.441 27.740 0.197 0.000 2.274 246 C HN 0.513 nan 8.230 nan 0.000 0.663 247 D N 2.068 122.431 120.400 -0.062 0.000 2.470 247 D HA 0.125 4.766 4.640 0.000 0.000 0.226 247 D C 1.299 177.457 176.300 -0.238 0.000 1.196 247 D CA -0.149 53.766 54.000 -0.142 0.000 0.979 247 D CB -0.071 40.702 40.800 -0.045 0.000 1.059 247 D HN 0.604 nan 8.370 nan 0.000 0.515 248 I N -0.896 119.368 120.570 -0.511 0.000 2.916 248 I HA -0.025 4.146 4.170 0.000 0.000 0.267 248 I C 0.408 176.217 176.117 -0.513 0.000 1.263 248 I CA 0.645 61.614 61.300 -0.552 0.000 1.471 248 I CB -0.295 37.265 38.000 -0.733 0.000 1.089 248 I HN 0.020 nan 8.210 nan 0.000 0.468 249 F N 2.125 121.982 119.950 -0.156 0.000 2.639 249 F HA 0.201 4.728 4.527 0.001 0.000 0.300 249 F C 2.283 178.044 175.800 -0.065 0.000 1.109 249 F CA -0.612 57.306 58.000 -0.136 0.000 1.335 249 F CB -0.713 38.160 39.000 -0.212 0.000 1.014 249 F HN 0.216 nan 8.300 nan 0.000 0.537 250 Q N -0.055 119.783 119.800 0.063 0.000 2.234 250 Q HA -0.193 4.148 4.340 0.000 0.000 0.206 250 Q C 0.697 176.738 176.000 0.069 0.000 0.980 250 Q CA 1.752 57.587 55.803 0.053 0.000 0.869 250 Q CB -0.373 28.378 28.738 0.021 0.000 0.912 250 Q HN 0.244 nan 8.270 nan 0.000 0.436 251 N N -0.001 118.755 118.700 0.093 0.000 2.230 251 N HA 0.171 4.911 4.740 0.000 0.000 0.202 251 N C -0.636 174.951 175.510 0.128 0.000 1.119 251 N CA -0.015 53.094 53.050 0.099 0.000 0.851 251 N CB 0.399 38.945 38.487 0.098 0.000 0.990 251 N HN 0.131 nan 8.380 nan 0.000 0.497 252 L N 1.072 122.379 121.223 0.140 0.000 2.436 252 L HA 0.150 4.490 4.340 0.000 0.000 0.265 252 L C 1.416 178.328 176.870 0.071 0.000 1.168 252 L CA -0.071 54.848 54.840 0.131 0.000 0.815 252 L CB 0.551 42.653 42.059 0.072 0.000 1.109 252 L HN 0.089 nan 8.230 nan 0.000 0.462 253 T N -1.322 113.268 114.554 0.060 0.000 2.813 253 T HA 0.157 4.507 4.350 0.000 0.000 0.297 253 T C 1.130 175.833 174.700 0.004 0.000 1.036 253 T CA -0.471 61.647 62.100 0.031 0.000 1.044 253 T CB 0.485 69.370 68.868 0.029 0.000 0.993 253 T HN 0.546 nan 8.240 nan 0.000 0.535 254 K N 0.350 120.747 120.400 -0.004 0.000 2.063 254 K HA -0.156 4.164 4.320 0.000 0.000 0.208 254 K C 2.360 178.938 176.600 -0.037 0.000 1.048 254 K CA 1.592 57.866 56.287 -0.022 0.000 0.928 254 K CB -0.188 32.301 32.500 -0.019 0.000 0.713 254 K HN 0.663 nan 8.250 nan 0.000 0.442 255 K N 1.370 121.753 120.400 -0.027 0.000 2.057 255 K HA -0.197 4.124 4.320 0.000 0.000 0.207 255 K C 2.069 178.642 176.600 -0.045 0.000 1.049 255 K CA 1.449 57.715 56.287 -0.035 0.000 0.931 255 K CB 0.096 32.583 32.500 -0.021 0.000 0.714 255 K HN 0.180 nan 8.250 nan 0.000 0.440 256 Q N -0.076 119.706 119.800 -0.031 0.000 2.079 256 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 256 Q C 2.195 178.119 176.000 -0.126 0.000 0.974 256 Q CA 1.418 57.194 55.803 -0.045 0.000 0.840 256 Q CB 0.027 28.773 28.738 0.014 0.000 0.898 256 Q HN 0.272 nan 8.270 nan 0.000 0.430 257 R N 0.369 120.794 120.500 -0.126 0.000 2.075 257 R HA -0.161 4.179 4.340 0.000 0.000 0.232 257 R C 2.334 178.526 176.300 -0.180 0.000 1.126 257 R CA 1.392 57.379 56.100 -0.188 0.000 0.963 257 R CB -0.165 30.062 30.300 -0.121 0.000 0.858 257 R HN 0.305 nan 8.270 nan 0.000 0.435 258 Q N 0.184 119.907 119.800 -0.129 0.000 2.050 258 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 258 Q C 2.121 178.047 176.000 -0.123 0.000 0.980 258 Q CA 1.952 57.682 55.803 -0.122 0.000 0.840 258 Q CB -0.065 28.616 28.738 -0.094 0.000 0.898 258 Q HN 0.219 nan 8.270 nan 0.000 0.424 259 S N 0.117 115.748 115.700 -0.115 0.000 2.356 259 S HA -0.151 4.319 4.470 0.000 0.000 0.223 259 S C 1.946 176.492 174.600 -0.089 0.000 1.032 259 S CA 1.167 59.305 58.200 -0.104 0.000 1.005 259 S CB -0.368 62.784 63.200 -0.079 0.000 0.867 259 S HN 0.509 nan 8.310 nan 0.000 0.449 260 L N 1.528 122.663 121.223 -0.147 0.000 2.046 260 L HA -0.049 4.292 4.340 0.000 0.000 0.208 260 L C 2.636 179.453 176.870 -0.089 0.000 1.077 260 L CA 1.947 56.676 54.840 -0.185 0.000 0.747 260 L CB -0.454 41.342 42.059 -0.439 0.000 0.896 260 L HN 0.321 nan 8.230 nan 0.000 0.432 261 R N 0.049 120.479 120.500 -0.115 0.000 2.083 261 R HA -0.265 4.075 4.340 0.000 0.000 0.237 261 R C 2.458 178.786 176.300 0.045 0.000 1.137 261 R CA 2.175 58.244 56.100 -0.051 0.000 0.951 261 R CB -0.297 29.843 30.300 -0.267 0.000 0.851 261 R HN 0.358 nan 8.270 nan 0.000 0.434 262 K N 0.100 120.495 120.400 -0.007 0.000 2.026 262 K HA -0.147 4.174 4.320 0.000 0.000 0.208 262 K C 2.152 178.831 176.600 0.132 0.000 1.048 262 K CA 1.905 58.214 56.287 0.037 0.000 0.929 262 K CB -0.063 32.420 32.500 -0.029 0.000 0.713 262 K HN 0.214 nan 8.250 nan 0.000 0.439 263 M N 0.274 119.961 119.600 0.144 0.000 2.117 263 M HA -0.162 4.318 4.480 0.000 0.000 0.262 263 M C 2.139 178.536 176.300 0.162 0.000 1.065 263 M CA 1.269 56.686 55.300 0.195 0.000 1.114 263 M CB -0.084 32.615 32.600 0.165 0.000 1.361 263 M HN 0.021 nan 8.290 nan 0.000 0.408 264 V N 0.677 120.708 119.914 0.194 0.000 2.343 264 V HA -0.259 3.861 4.120 0.000 0.000 0.247 264 V C 2.184 178.416 176.094 0.230 0.000 1.051 264 V CA 1.686 64.130 62.300 0.239 0.000 1.036 264 V CB -0.524 31.529 31.823 0.383 0.000 0.654 264 V HN 0.415 nan 8.190 nan 0.000 0.451 265 I N 0.102 120.840 120.570 0.279 0.000 2.179 265 I HA -0.241 3.930 4.170 0.000 0.000 0.242 265 I C 2.297 178.500 176.117 0.143 0.000 1.088 265 I CA 1.678 63.115 61.300 0.228 0.000 1.357 265 I CB -0.506 37.616 38.000 0.203 0.000 1.051 265 I HN 0.304 nan 8.210 nan 0.000 0.409 266 D N 0.842 121.322 120.400 0.134 0.000 2.149 266 D HA -0.149 4.491 4.640 0.000 0.000 0.198 266 D C 2.210 178.547 176.300 0.062 0.000 0.990 266 D CA 1.397 55.456 54.000 0.099 0.000 0.839 266 D CB -0.151 40.724 40.800 0.124 0.000 0.948 266 D HN 0.357 nan 8.370 nan 0.000 0.460 267 I N 0.065 120.675 120.570 0.066 0.000 2.233 267 I HA -0.187 3.983 4.170 0.000 0.000 0.243 267 I C 2.356 178.496 176.117 0.040 0.000 1.093 267 I CA 0.504 61.824 61.300 0.033 0.000 1.380 267 I CB -0.057 37.958 38.000 0.025 0.000 1.067 267 I HN -0.128 nan 8.210 nan 0.000 0.413 268 V N 1.059 121.014 119.914 0.070 0.000 2.427 268 V HA -0.241 3.880 4.120 0.000 0.000 0.248 268 V C 2.352 178.498 176.094 0.086 0.000 1.051 268 V CA 1.494 63.848 62.300 0.090 0.000 1.048 268 V CB -0.496 31.388 31.823 0.102 0.000 0.666 268 V HN 0.370 nan 8.190 nan 0.000 0.456 269 L N 0.284 121.548 121.223 0.067 0.000 2.131 269 L HA -0.119 4.221 4.340 0.000 0.000 0.210 269 L C 2.545 179.430 176.870 0.025 0.000 1.092 269 L CA 1.349 56.216 54.840 0.044 0.000 0.759 269 L CB -0.659 41.423 42.059 0.038 0.000 0.903 269 L HN 0.374 nan 8.230 nan 0.000 0.435 270 A N -0.279 122.547 122.820 0.010 0.000 2.209 270 A HA -0.117 4.203 4.320 0.000 0.000 0.212 270 A C 2.217 179.763 177.584 -0.063 0.000 1.158 270 A CA 1.493 53.505 52.037 -0.041 0.000 0.742 270 A CB -0.701 18.266 19.000 -0.054 0.000 0.790 270 A HN 0.514 nan 8.150 nan 0.000 0.472 271 T N -2.492 112.079 114.554 0.028 0.000 3.113 271 T HA 0.005 4.355 4.350 0.000 0.000 0.256 271 T C 0.550 175.333 174.700 0.138 0.000 1.131 271 T CA 0.373 62.538 62.100 0.108 0.000 1.074 271 T CB -0.406 68.555 68.868 0.156 0.000 0.944 271 T HN 0.319 nan 8.240 nan 0.000 0.516 272 D N 1.350 121.801 120.400 0.084 0.000 2.412 272 D HA 0.025 4.666 4.640 0.000 0.000 0.257 272 D C 1.178 177.527 176.300 0.083 0.000 1.217 272 D CA -0.294 53.758 54.000 0.086 0.000 0.897 272 D CB 0.653 41.481 40.800 0.046 0.000 1.132 272 D HN -0.051 nan 8.370 nan 0.000 0.493 273 M N 2.724 122.403 119.600 0.133 0.000 2.346 273 M HA -0.159 4.321 4.480 0.000 0.000 0.263 273 M C 1.998 178.378 176.300 0.135 0.000 1.064 273 M CA 0.891 56.289 55.300 0.163 0.000 1.083 273 M CB -1.173 31.527 32.600 0.166 0.000 1.399 273 M HN 0.557 nan 8.290 nan 0.000 0.435 274 S N -0.499 115.254 115.700 0.089 0.000 2.474 274 S HA -0.073 4.397 4.470 0.000 0.000 0.235 274 S C 1.512 176.148 174.600 0.059 0.000 0.997 274 S CA 0.680 58.923 58.200 0.071 0.000 0.949 274 S CB -0.156 63.072 63.200 0.047 0.000 0.766 274 S HN 0.333 nan 8.310 nan 0.000 0.517 275 K N 0.516 120.939 120.400 0.038 0.000 2.374 275 K HA 0.154 4.474 4.320 0.000 0.000 0.196 275 K C 1.435 178.015 176.600 -0.033 0.000 1.023 275 K CA 0.524 56.807 56.287 -0.007 0.000 1.103 275 K CB -0.478 31.997 32.500 -0.041 0.000 0.848 275 K HN 0.678 nan 8.250 nan 0.000 0.528 276 H N 1.660 120.690 119.070 -0.066 0.000 2.319 276 H HA -0.060 4.496 4.556 0.001 0.000 0.297 276 H C 1.832 177.170 175.328 0.017 0.000 1.097 276 H CA 1.978 57.999 56.048 -0.045 0.000 1.285 276 H CB 0.192 30.031 29.762 0.128 0.000 1.368 276 H HN -0.102 nan 8.280 nan 0.000 0.495 277 M N 0.368 119.914 119.600 -0.091 0.000 2.117 277 M HA -0.144 4.337 4.480 0.000 0.000 0.262 277 M C 1.793 178.017 176.300 -0.126 0.000 1.065 277 M CA 1.151 56.374 55.300 -0.129 0.000 1.114 277 M CB -0.826 31.792 32.600 0.029 0.000 1.361 277 M HN 0.396 nan 8.290 nan 0.000 0.408 278 N N 0.445 119.097 118.700 -0.081 0.000 2.216 278 N HA -0.017 4.723 4.740 0.000 0.000 0.183 278 N C 1.921 177.379 175.510 -0.087 0.000 1.017 278 N CA 0.851 53.863 53.050 -0.064 0.000 0.861 278 N CB -0.329 38.136 38.487 -0.037 0.000 0.986 278 N HN 0.327 nan 8.380 nan 0.000 0.428 279 L N 0.255 121.403 121.223 -0.126 0.000 2.017 279 L HA -0.149 4.191 4.340 0.000 0.000 0.208 279 L C 2.146 178.948 176.870 -0.112 0.000 1.073 279 L CA 0.868 55.634 54.840 -0.123 0.000 0.745 279 L CB -0.272 41.678 42.059 -0.182 0.000 0.894 279 L HN 0.160 nan 8.230 nan 0.000 0.432 280 L N -0.086 121.024 121.223 -0.188 0.000 2.093 280 L HA -0.112 4.228 4.340 0.000 0.000 0.208 280 L C 2.583 179.404 176.870 -0.082 0.000 1.085 280 L CA 1.969 56.719 54.840 -0.150 0.000 0.755 280 L CB -0.758 41.135 42.059 -0.277 0.000 0.904 280 L HN 0.147 nan 8.230 nan 0.000 0.435 281 A N -0.749 122.022 122.820 -0.081 0.000 1.902 281 A HA -0.218 4.102 4.320 0.000 0.000 0.217 281 A C 1.980 179.544 177.584 -0.034 0.000 1.181 281 A CA 1.951 53.961 52.037 -0.044 0.000 0.623 281 A CB -0.789 18.190 19.000 -0.036 0.000 0.818 281 A HN 0.522 nan 8.150 nan 0.000 0.443 282 D N -0.690 119.687 120.400 -0.038 0.000 2.183 282 D HA -0.074 4.566 4.640 0.000 0.000 0.203 282 D C 1.782 178.068 176.300 -0.023 0.000 0.969 282 D CA 0.864 54.846 54.000 -0.028 0.000 0.842 282 D CB -0.277 40.506 40.800 -0.029 0.000 0.957 282 D HN 0.352 nan 8.370 nan 0.000 0.484 283 L N 1.172 122.384 121.223 -0.019 0.000 2.056 283 L HA -0.095 4.245 4.340 0.000 0.000 0.207 283 L C 1.876 178.733 176.870 -0.021 0.000 1.078 283 L CA 1.688 56.525 54.840 -0.005 0.000 0.749 283 L CB -0.194 41.879 42.059 0.025 0.000 0.901 283 L HN -0.175 nan 8.230 nan 0.000 0.433 284 K N -1.364 119.023 120.400 -0.022 0.000 2.097 284 K HA -0.119 4.202 4.320 0.000 0.000 0.206 284 K C 1.891 178.475 176.600 -0.027 0.000 1.049 284 K CA 1.778 58.051 56.287 -0.024 0.000 0.933 284 K CB -0.325 32.165 32.500 -0.017 0.000 0.717 284 K HN 0.355 nan 8.250 nan 0.000 0.442 285 T N 1.436 115.975 114.554 -0.025 0.000 2.788 285 T HA -0.098 4.252 4.350 0.000 0.000 0.268 285 T C 1.810 176.492 174.700 -0.030 0.000 1.044 285 T CA 1.170 63.256 62.100 -0.024 0.000 1.139 285 T CB -0.055 68.801 68.868 -0.020 0.000 0.867 285 T HN 0.176 nan 8.240 nan 0.000 0.454 286 M N 0.406 119.986 119.600 -0.034 0.000 2.175 286 M HA -0.061 4.419 4.480 0.000 0.000 0.264 286 M C 2.389 178.654 176.300 -0.058 0.000 1.063 286 M CA 1.111 56.385 55.300 -0.043 0.000 1.119 286 M CB -0.395 32.180 32.600 -0.042 0.000 1.377 286 M HN 0.107 nan 8.290 nan 0.000 0.415 287 V N 0.059 119.936 119.914 -0.062 0.000 2.427 287 V HA -0.225 3.896 4.120 0.000 0.000 0.248 287 V C 2.177 178.236 176.094 -0.057 0.000 1.051 287 V CA 1.929 64.185 62.300 -0.073 0.000 1.048 287 V CB -0.591 31.188 31.823 -0.074 0.000 0.666 287 V HN 0.411 nan 8.190 nan 0.000 0.456 288 E N 0.771 120.944 120.200 -0.044 0.000 2.274 288 E HA -0.135 4.216 4.350 0.000 0.000 0.194 288 E C 1.824 178.404 176.600 -0.034 0.000 0.996 288 E CA 1.414 57.793 56.400 -0.036 0.000 0.840 288 E CB -0.152 29.531 29.700 -0.028 0.000 0.772 288 E HN 0.729 nan 8.360 nan 0.000 0.491 289 T N -2.559 111.973 114.554 -0.036 0.000 3.174 289 T HA 0.241 4.591 4.350 0.000 0.000 0.269 289 T C 0.481 175.156 174.700 -0.040 0.000 1.017 289 T CA -0.595 61.485 62.100 -0.033 0.000 0.899 289 T CB -0.115 68.736 68.868 -0.028 0.000 1.077 289 T HN -0.053 nan 8.240 nan 0.000 0.552 290 K N 2.007 122.377 120.400 -0.049 0.000 2.524 290 K HA 0.115 4.435 4.320 0.000 0.000 0.279 290 K C -0.387 176.182 176.600 -0.052 0.000 0.993 290 K CA 0.363 56.615 56.287 -0.059 0.000 1.030 290 K CB 0.375 32.833 32.500 -0.070 0.000 0.891 290 K HN 0.266 nan 8.250 nan 0.000 0.488 291 K N 2.658 123.024 120.400 -0.056 0.000 2.375 291 K HA 0.396 4.717 4.320 0.000 0.000 0.249 291 K C -0.884 175.680 176.600 -0.060 0.000 0.942 291 K CA -1.031 55.226 56.287 -0.051 0.000 0.806 291 K CB 2.042 34.514 32.500 -0.045 0.000 1.227 291 K HN 0.477 nan 8.250 nan 0.000 0.430 298 L N 1.766 122.915 121.223 -0.123 0.000 2.456 298 L HA 0.404 4.745 4.340 0.000 0.000 0.272 298 L C -0.159 176.628 176.870 -0.138 0.000 1.189 298 L CA -0.177 54.583 54.840 -0.133 0.000 0.846 298 L CB 0.849 42.812 42.059 -0.161 0.000 1.111 298 L HN 0.667 nan 8.230 nan 0.000 0.475 299 L N 5.218 126.374 121.223 -0.111 0.000 2.265 299 L HA 0.444 4.784 4.340 0.000 0.000 0.289 299 L C -0.718 176.094 176.870 -0.097 0.000 1.033 299 L CA 0.189 54.970 54.840 -0.099 0.000 0.814 299 L CB 0.705 42.721 42.059 -0.071 0.000 1.203 299 L HN 0.383 nan 8.230 nan 0.000 0.423 300 L N 5.367 126.523 121.223 -0.111 0.000 2.442 300 L HA 0.439 4.779 4.340 0.000 0.000 0.261 300 L C -0.464 176.373 176.870 -0.056 0.000 1.000 300 L CA -0.324 54.464 54.840 -0.086 0.000 0.882 300 L CB 1.349 43.339 42.059 -0.115 0.000 1.207 300 L HN 0.449 nan 8.230 nan 0.000 0.443 301 D N 2.130 122.512 120.400 -0.030 0.000 2.491 301 D HA 0.125 4.765 4.640 0.000 0.000 0.228 301 D C -0.268 176.042 176.300 0.018 0.000 1.183 301 D CA 0.201 54.196 54.000 -0.009 0.000 0.827 301 D CB 0.348 41.140 40.800 -0.013 0.000 0.989 301 D HN 0.672 nan 8.370 nan 0.000 0.494 302 N N -2.181 116.538 118.700 0.032 0.000 2.484 302 N HA 0.045 4.785 4.740 0.000 0.000 0.269 302 N C 0.175 175.749 175.510 0.106 0.000 1.237 302 N CA -0.832 52.259 53.050 0.069 0.000 0.838 302 N CB 0.867 39.385 38.487 0.052 0.000 1.593 302 N HN -0.279 nan 8.380 nan 0.000 0.485 303 Y N 1.239 121.557 120.300 0.030 0.000 2.165 303 Y HA -0.195 4.355 4.550 0.000 0.000 0.286 303 Y C 2.461 178.389 175.900 0.047 0.000 1.155 303 Y CA 2.403 60.528 58.100 0.043 0.000 1.164 303 Y CB -0.454 38.026 38.460 0.033 0.000 0.978 303 Y HN 0.745 nan 8.280 nan 0.000 0.513 304 S N -0.300 115.393 115.700 -0.013 0.000 2.359 304 S HA -0.208 4.262 4.470 0.000 0.000 0.224 304 S C 1.774 176.306 174.600 -0.113 0.000 1.035 304 S CA 1.949 60.094 58.200 -0.091 0.000 1.018 304 S CB -0.496 62.705 63.200 0.002 0.000 0.876 304 S HN 0.606 nan 8.310 nan 0.000 0.448 305 D N 0.672 121.039 120.400 -0.056 0.000 2.123 305 D HA 0.002 4.642 4.640 0.000 0.000 0.200 305 D C 2.356 178.646 176.300 -0.016 0.000 0.976 305 D CA 0.904 54.883 54.000 -0.035 0.000 0.831 305 D CB -0.300 40.486 40.800 -0.022 0.000 0.974 305 D HN 0.445 nan 8.370 nan 0.000 0.469 306 R N 0.054 120.546 120.500 -0.013 0.000 2.073 306 R HA -0.073 4.267 4.340 0.000 0.000 0.234 306 R C 2.271 178.603 176.300 0.053 0.000 1.134 306 R CA 0.675 56.844 56.100 0.116 0.000 0.952 306 R CB -0.368 30.020 30.300 0.148 0.000 0.850 306 R HN 0.120 nan 8.270 nan 0.000 0.433 307 I N 1.442 121.863 120.570 -0.247 0.000 2.315 307 I HA -0.222 3.949 4.170 0.000 0.000 0.248 307 I C 2.012 178.044 176.117 -0.142 0.000 1.117 307 I CA 1.529 62.643 61.300 -0.309 0.000 1.404 307 I CB -0.145 37.413 38.000 -0.736 0.000 1.071 307 I HN 0.151 nan 8.210 nan 0.000 0.419 308 Q N -0.728 119.008 119.800 -0.106 0.000 2.124 308 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 308 Q C 2.286 178.306 176.000 0.034 0.000 0.977 308 Q CA 1.879 57.659 55.803 -0.038 0.000 0.850 308 Q CB -0.128 28.590 28.738 -0.032 0.000 0.901 308 Q HN 0.411 nan 8.270 nan 0.000 0.429 309 V N 0.917 120.888 119.914 0.094 0.000 2.358 309 V HA -0.250 3.871 4.120 0.000 0.000 0.246 309 V C 2.128 178.338 176.094 0.193 0.000 1.047 309 V CA 1.469 63.902 62.300 0.220 0.000 1.035 309 V CB -0.434 31.578 31.823 0.316 0.000 0.658 309 V HN 0.348 nan 8.190 nan 0.000 0.452 310 L N -0.672 120.578 121.223 0.046 0.000 2.093 310 L HA -0.219 4.121 4.340 0.000 0.000 0.208 310 L C 2.662 179.492 176.870 -0.067 0.000 1.085 310 L CA 1.533 56.312 54.840 -0.102 0.000 0.755 310 L CB -0.596 41.336 42.059 -0.212 0.000 0.904 310 L HN 0.360 nan 8.230 nan 0.000 0.435 311 Q N -0.229 119.548 119.800 -0.039 0.000 2.050 311 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 311 Q C 2.066 178.052 176.000 -0.023 0.000 0.980 311 Q CA 1.446 57.228 55.803 -0.036 0.000 0.840 311 Q CB -0.133 28.582 28.738 -0.039 0.000 0.898 311 Q HN 0.493 nan 8.270 nan 0.000 0.424 312 N N 0.310 119.016 118.700 0.010 0.000 2.244 312 N HA -0.131 4.609 4.740 0.000 0.000 0.183 312 N C 1.726 177.120 175.510 -0.195 0.000 1.016 312 N CA 0.910 53.971 53.050 0.019 0.000 0.866 312 N CB -0.095 38.472 38.487 0.135 0.000 0.980 312 N HN 0.291 nan 8.380 nan 0.000 0.430 313 M N 0.767 120.218 119.600 -0.248 0.000 2.086 313 M HA -0.130 4.350 4.480 0.000 0.000 0.261 313 M C 1.783 177.837 176.300 -0.410 0.000 1.067 313 M CA 1.423 56.368 55.300 -0.591 0.000 1.116 313 M CB 0.040 32.470 32.600 -0.284 0.000 1.348 313 M HN -0.145 nan 8.290 nan 0.000 0.407 314 V N -0.208 119.575 119.914 -0.218 0.000 2.515 314 V HA -0.257 3.863 4.120 0.000 0.000 0.250 314 V C 2.332 178.338 176.094 -0.147 0.000 1.058 314 V CA 2.167 64.363 62.300 -0.175 0.000 1.064 314 V CB -1.267 30.477 31.823 -0.130 0.000 0.675 314 V HN 0.609 nan 8.190 nan 0.000 0.461 315 H N -0.379 118.566 119.070 -0.208 0.000 2.353 315 H HA -0.168 4.388 4.556 0.001 0.000 0.300 315 H C 2.244 177.461 175.328 -0.185 0.000 1.090 315 H CA 2.177 58.138 56.048 -0.145 0.000 1.327 315 H CB -0.574 29.138 29.762 -0.084 0.000 1.383 315 H HN 0.396 nan 8.280 nan 0.000 0.508 316 C N 0.403 119.435 119.300 -0.446 0.000 2.429 316 C HA -0.028 4.432 4.460 0.000 0.000 0.277 316 C C 3.119 178.013 174.990 -0.160 0.000 1.262 316 C CA 1.061 59.677 59.018 -0.671 0.000 1.733 316 C CB -1.360 25.528 27.740 -1.420 0.000 2.010 316 C HN 0.787 nan 8.230 nan 0.000 0.483 317 A N 0.288 123.018 122.820 -0.149 0.000 1.902 317 A HA -0.246 4.074 4.320 0.000 0.000 0.217 317 A C 1.860 179.400 177.584 -0.072 0.000 1.181 317 A CA 2.350 54.379 52.037 -0.015 0.000 0.623 317 A CB -0.727 18.216 19.000 -0.094 0.000 0.818 317 A HN 0.571 nan 8.150 nan 0.000 0.443 318 D N -0.349 119.979 120.400 -0.121 0.000 2.144 318 D HA -0.066 4.574 4.640 0.000 0.000 0.199 318 D C 1.127 177.468 176.300 0.068 0.000 0.984 318 D CA 0.889 54.864 54.000 -0.041 0.000 0.834 318 D CB -0.118 40.660 40.800 -0.035 0.000 0.955 318 D HN 0.391 nan 8.370 nan 0.000 0.465 319 L N 0.415 121.647 121.223 0.014 0.000 2.978 319 L HA 0.207 4.547 4.340 0.000 0.000 0.239 319 L C 1.308 178.305 176.870 0.212 0.000 1.293 319 L CA -0.037 54.853 54.840 0.083 0.000 1.085 319 L CB 0.188 42.202 42.059 -0.076 0.000 1.432 319 L HN 0.022 nan 8.230 nan 0.000 0.512 320 S N -3.107 112.687 115.700 0.156 0.000 2.548 320 S HA -0.010 4.460 4.470 0.000 0.000 0.215 320 S C 1.216 175.739 174.600 -0.129 0.000 0.976 320 S CA -0.091 58.185 58.200 0.127 0.000 0.908 320 S CB -0.229 63.081 63.200 0.184 0.000 0.781 320 S HN 0.512 nan 8.310 nan 0.000 0.519 321 N N 3.052 121.663 118.700 -0.148 0.000 2.061 321 N HA -0.062 4.679 4.740 0.000 0.000 0.193 321 N C -1.328 173.992 175.510 -0.316 0.000 1.030 321 N CA 1.502 54.463 53.050 -0.149 0.000 0.856 321 N CB -0.963 37.530 38.487 0.010 0.000 1.023 321 N HN 0.427 nan 8.380 nan 0.000 0.424 322 P HA -0.066 nan 4.420 nan 0.000 0.234 322 P C 0.933 177.872 177.300 -0.603 0.000 1.167 322 P CA 1.151 63.524 63.100 -1.211 0.000 0.763 322 P CB -0.050 31.208 31.700 -0.737 0.000 0.835 323 T N -5.107 109.211 114.554 -0.394 0.000 3.086 323 T HA 0.145 4.496 4.350 0.000 0.000 0.250 323 T C 0.834 175.542 174.700 0.013 0.000 1.074 323 T CA -0.078 61.865 62.100 -0.260 0.000 0.988 323 T CB -0.253 68.304 68.868 -0.519 0.000 0.988 323 T HN -0.158 nan 8.240 nan 0.000 0.530 324 K N 2.161 122.537 120.400 -0.041 0.000 2.090 324 K HA 0.453 4.774 4.320 0.000 0.000 0.249 324 K C -2.778 173.873 176.600 0.084 0.000 0.995 324 K CA -2.752 53.539 56.287 0.007 0.000 0.914 324 K CB 0.377 32.858 32.500 -0.031 0.000 1.057 324 K HN 0.043 nan 8.250 nan 0.000 0.462 325 P HA -0.102 nan 4.420 nan 0.000 0.264 325 P C 0.924 178.274 177.300 0.083 0.000 1.179 325 P CA 0.011 63.157 63.100 0.076 0.000 0.763 325 P CB 0.373 32.117 31.700 0.073 0.000 0.806 326 L N 3.568 124.799 121.223 0.013 0.000 2.081 326 L HA -0.255 4.085 4.340 0.000 0.000 0.212 326 L C 2.273 179.088 176.870 -0.092 0.000 1.080 326 L CA 1.922 56.724 54.840 -0.062 0.000 0.754 326 L CB -1.139 40.721 42.059 -0.332 0.000 0.893 326 L HN 0.455 nan 8.230 nan 0.000 0.433 327 Q N -0.535 119.209 119.800 -0.094 0.000 2.170 327 Q HA -0.210 4.130 4.340 0.000 0.000 0.203 327 Q C 2.118 178.084 176.000 -0.057 0.000 0.976 327 Q CA 2.132 57.869 55.803 -0.111 0.000 0.858 327 Q CB -0.837 27.835 28.738 -0.109 0.000 0.907 327 Q HN 0.605 nan 8.270 nan 0.000 0.433 328 L N -0.358 120.901 121.223 0.061 0.000 2.044 328 L HA -0.116 4.224 4.340 0.000 0.000 0.205 328 L C 2.683 179.728 176.870 0.292 0.000 1.075 328 L CA 1.261 56.199 54.840 0.164 0.000 0.747 328 L CB -0.807 41.408 42.059 0.261 0.000 0.903 328 L HN 0.111 nan 8.230 nan 0.000 0.435 329 Y N 1.512 121.936 120.300 0.207 0.000 2.114 329 Y HA -0.267 4.283 4.550 0.000 0.000 0.282 329 Y C 2.709 178.754 175.900 0.242 0.000 1.165 329 Y CA 1.488 59.768 58.100 0.301 0.000 1.148 329 Y CB -0.475 38.118 38.460 0.222 0.000 0.972 329 Y HN 0.035 nan 8.280 nan 0.000 0.504 330 R N -0.448 120.066 120.500 0.024 0.000 2.096 330 R HA -0.225 4.116 4.340 0.000 0.000 0.235 330 R C 2.273 178.525 176.300 -0.081 0.000 1.127 330 R CA 1.599 57.642 56.100 -0.096 0.000 0.968 330 R CB -0.365 29.823 30.300 -0.186 0.000 0.861 330 R HN 0.340 nan 8.270 nan 0.000 0.440 331 Q N 0.070 119.764 119.800 -0.177 0.000 2.079 331 Q HA -0.165 4.175 4.340 0.000 0.000 0.200 331 Q C 1.565 177.422 176.000 -0.239 0.000 0.974 331 Q CA 1.725 57.288 55.803 -0.400 0.000 0.840 331 Q CB -0.289 27.916 28.738 -0.887 0.000 0.898 331 Q HN 0.383 nan 8.270 nan 0.000 0.430 332 W N -0.178 121.192 121.300 0.117 0.000 2.358 332 W HA -0.124 4.536 4.660 0.001 0.000 0.303 332 W C 2.238 178.835 176.519 0.130 0.000 1.208 332 W CA 1.317 58.805 57.345 0.239 0.000 1.274 332 W CB -0.400 29.282 29.460 0.371 0.000 1.138 332 W HN 0.100 nan 8.180 nan 0.000 0.515 333 T N 0.033 114.747 114.554 0.267 0.000 2.708 333 T HA -0.202 4.148 4.350 0.000 0.000 0.266 333 T C 1.068 175.733 174.700 -0.058 0.000 1.037 333 T CA 1.752 63.878 62.100 0.044 0.000 1.146 333 T CB -0.554 68.298 68.868 -0.026 0.000 0.865 333 T HN 0.030 nan 8.240 nan 0.000 0.435 334 D N 0.977 121.348 120.400 -0.049 0.000 2.123 334 D HA -0.071 4.569 4.640 0.000 0.000 0.196 334 D C 2.383 178.613 176.300 -0.116 0.000 0.992 334 D CA 1.074 55.018 54.000 -0.093 0.000 0.833 334 D CB -0.226 40.507 40.800 -0.111 0.000 0.954 334 D HN 0.342 nan 8.370 nan 0.000 0.455 335 R N -0.228 120.239 120.500 -0.055 0.000 2.066 335 R HA -0.044 4.296 4.340 0.000 0.000 0.232 335 R C 2.344 178.587 176.300 -0.094 0.000 1.131 335 R CA 0.522 56.617 56.100 -0.009 0.000 0.955 335 R CB -0.346 30.035 30.300 0.134 0.000 0.851 335 R HN 0.126 nan 8.270 nan 0.000 0.432 336 I N 0.588 121.037 120.570 -0.201 0.000 2.315 336 I HA -0.227 3.943 4.170 0.000 0.000 0.248 336 I C 1.828 177.418 176.117 -0.879 0.000 1.117 336 I CA 1.435 62.295 61.300 -0.733 0.000 1.404 336 I CB 0.011 37.320 38.000 -1.152 0.000 1.071 336 I HN 0.121 nan 8.210 nan 0.000 0.419 337 M N -0.243 118.973 119.600 -0.640 0.000 2.117 337 M HA -0.182 4.298 4.480 0.000 0.000 0.262 337 M C 2.233 178.054 176.300 -0.799 0.000 1.065 337 M CA 1.573 56.399 55.300 -0.790 0.000 1.114 337 M CB -1.486 30.712 32.600 -0.670 0.000 1.361 337 M HN 0.291 nan 8.290 nan 0.000 0.408 338 E N 0.771 120.731 120.200 -0.400 0.000 2.051 338 E HA -0.217 4.134 4.350 0.000 0.000 0.192 338 E C 1.908 178.457 176.600 -0.085 0.000 0.991 338 E CA 1.960 58.268 56.400 -0.154 0.000 0.799 338 E CB -0.231 29.428 29.700 -0.069 0.000 0.748 338 E HN 0.563 nan 8.360 nan 0.000 0.449 339 E N -1.287 118.835 120.200 -0.129 0.000 2.051 339 E HA -0.173 4.177 4.350 0.000 0.000 0.192 339 E C 1.775 178.435 176.600 0.099 0.000 0.991 339 E CA 1.188 57.574 56.400 -0.023 0.000 0.799 339 E CB -0.209 29.463 29.700 -0.047 0.000 0.748 339 E HN 0.290 nan 8.360 nan 0.000 0.449 340 F N 0.093 119.945 119.950 -0.164 0.000 2.134 340 F HA -0.159 4.368 4.527 0.001 0.000 0.299 340 F C 2.137 177.950 175.800 0.022 0.000 1.097 340 F CA 0.798 58.720 58.000 -0.130 0.000 1.264 340 F CB -0.986 37.877 39.000 -0.228 0.000 1.001 340 F HN 0.118 nan 8.300 nan 0.000 0.479 341 F N 0.423 120.451 119.950 0.131 0.000 2.216 341 F HA -0.122 4.405 4.527 0.000 0.000 0.300 341 F C 2.414 178.218 175.800 0.005 0.000 1.085 341 F CA 0.802 58.821 58.000 0.032 0.000 1.326 341 F CB -1.280 37.716 39.000 -0.007 0.000 1.027 341 F HN -0.033 nan 8.300 nan 0.000 0.497 342 R N -0.121 120.495 120.500 0.193 0.000 2.092 342 R HA -0.172 4.168 4.340 0.000 0.000 0.231 342 R C 2.175 178.492 176.300 0.028 0.000 1.119 342 R CA 1.223 57.378 56.100 0.092 0.000 0.970 342 R CB -0.500 29.839 30.300 0.065 0.000 0.864 342 R HN 0.385 nan 8.270 nan 0.000 0.440 343 Q N 0.132 119.934 119.800 0.003 0.000 2.079 343 Q HA -0.114 4.227 4.340 0.000 0.000 0.200 343 Q C 1.992 177.970 176.000 -0.038 0.000 0.974 343 Q CA 1.746 57.460 55.803 -0.149 0.000 0.840 343 Q CB -0.196 28.433 28.738 -0.181 0.000 0.898 343 Q HN 0.390 nan 8.270 nan 0.000 0.430 344 G N 0.458 109.292 108.800 0.057 0.000 2.432 344 G HA2 -0.253 3.707 3.960 0.000 0.000 0.219 344 G HA3 -0.253 3.707 3.960 0.000 0.000 0.219 344 G C 0.906 175.848 174.900 0.070 0.000 1.135 344 G CA 0.999 46.146 45.100 0.079 0.000 0.767 344 G HN 0.378 nan 8.290 nan 0.000 0.550 345 D N 0.390 120.825 120.400 0.058 0.000 2.144 345 D HA -0.025 4.615 4.640 0.000 0.000 0.200 345 D C 2.704 179.049 176.300 0.075 0.000 0.978 345 D CA 0.542 54.574 54.000 0.053 0.000 0.833 345 D CB -0.151 40.675 40.800 0.043 0.000 0.961 345 D HN 0.277 nan 8.370 nan 0.000 0.470 346 R N 0.523 121.072 120.500 0.082 0.000 2.090 346 R HA -0.018 4.323 4.340 0.000 0.000 0.228 346 R C 2.168 178.598 176.300 0.217 0.000 1.110 346 R CA 0.811 56.996 56.100 0.142 0.000 0.973 346 R CB -0.055 30.323 30.300 0.130 0.000 0.869 346 R HN 0.279 nan 8.270 nan 0.000 0.440 347 E N 0.330 120.673 120.200 0.238 0.000 2.072 347 E HA -0.183 4.167 4.350 0.000 0.000 0.191 347 E C 2.071 178.744 176.600 0.121 0.000 0.985 347 E CA 0.827 57.360 56.400 0.221 0.000 0.801 347 E CB -0.036 29.788 29.700 0.207 0.000 0.750 347 E HN 0.194 nan 8.360 nan 0.000 0.452 348 R N 1.129 121.688 120.500 0.099 0.000 2.096 348 R HA -0.164 4.176 4.340 0.000 0.000 0.235 348 R C 1.836 178.176 176.300 0.065 0.000 1.127 348 R CA 1.391 57.535 56.100 0.073 0.000 0.968 348 R CB 0.068 30.411 30.300 0.072 0.000 0.861 348 R HN 0.170 nan 8.270 nan 0.000 0.440 349 E N -0.293 119.951 120.200 0.074 0.000 2.150 349 E HA -0.151 4.199 4.350 0.000 0.000 0.193 349 E C 1.847 178.480 176.600 0.055 0.000 0.985 349 E CA 0.921 57.358 56.400 0.062 0.000 0.814 349 E CB 0.129 29.871 29.700 0.069 0.000 0.752 349 E HN 0.289 nan 8.360 nan 0.000 0.466 350 R N -0.663 119.875 120.500 0.064 0.000 2.313 350 R HA 0.061 4.401 4.340 0.000 0.000 0.199 350 R C 1.062 177.376 176.300 0.024 0.000 0.958 350 R CA 0.510 56.634 56.100 0.040 0.000 1.047 350 R CB 0.456 30.777 30.300 0.035 0.000 0.955 350 R HN 0.220 nan 8.270 nan 0.000 0.481 351 G N 1.109 109.928 108.800 0.031 0.000 2.143 351 G HA2 -0.306 3.654 3.960 0.000 0.000 0.248 351 G HA3 -0.306 3.654 3.960 0.000 0.000 0.248 351 G C 0.138 175.048 174.900 0.017 0.000 0.991 351 G CA 0.171 45.284 45.100 0.021 0.000 0.689 351 G HN 0.165 nan 8.290 nan 0.000 0.522 352 M N -0.262 119.353 119.600 0.025 0.000 2.283 352 M HA 0.529 5.009 4.480 0.000 0.000 0.314 352 M C 0.608 176.925 176.300 0.029 0.000 1.153 352 M CA -0.618 54.692 55.300 0.018 0.000 1.084 352 M CB 0.661 33.271 32.600 0.017 0.000 1.468 352 M HN 0.165 nan 8.290 nan 0.000 0.474 353 E N 1.247 121.459 120.200 0.021 0.000 2.360 353 E HA 0.224 4.574 4.350 0.000 0.000 0.269 353 E C -1.198 175.424 176.600 0.036 0.000 1.022 353 E CA 0.005 56.419 56.400 0.023 0.000 0.887 353 E CB 0.447 30.155 29.700 0.013 0.000 0.990 353 E HN 0.378 nan 8.360 nan 0.000 0.426 354 I N 3.488 124.082 120.570 0.039 0.000 2.496 354 I HA 0.053 4.224 4.170 0.000 0.000 0.285 354 I C 0.406 176.539 176.117 0.026 0.000 1.080 354 I CA -0.260 61.068 61.300 0.046 0.000 1.404 354 I CB 1.101 39.130 38.000 0.047 0.000 1.403 354 I HN 0.435 nan 8.210 nan 0.000 0.539 355 S N 7.111 122.822 115.700 0.017 0.000 2.584 355 S HA 0.157 4.627 4.470 0.000 0.000 0.270 355 S C -2.153 172.416 174.600 -0.051 0.000 1.346 355 S CA -0.819 57.364 58.200 -0.027 0.000 1.018 355 S CB 0.074 63.238 63.200 -0.060 0.000 0.899 355 S HN 0.418 nan 8.310 nan 0.000 0.542 356 P HA 0.096 nan 4.420 nan 0.000 0.264 356 P C 0.364 177.602 177.300 -0.102 0.000 1.183 356 P CA 0.487 63.550 63.100 -0.063 0.000 0.763 356 P CB 0.077 31.735 31.700 -0.069 0.000 0.807 357 M N -0.514 119.087 119.600 0.001 0.000 2.931 357 M HA -0.260 4.220 4.480 0.000 0.000 0.190 357 M C 0.183 176.599 176.300 0.192 0.000 0.626 357 M CA 0.772 56.125 55.300 0.088 0.000 0.722 357 M CB -2.442 30.198 32.600 0.066 0.000 2.597 357 M HN 0.359 nan 8.290 nan 0.000 0.299 358 C N -0.103 119.276 119.300 0.131 0.000 3.038 358 C HA 0.204 4.664 4.460 0.000 0.000 0.279 358 C C 0.857 176.007 174.990 0.267 0.000 1.276 358 C CA -0.223 58.936 59.018 0.234 0.000 1.697 358 C CB -0.319 27.447 27.740 0.044 0.000 2.032 358 C HN 0.419 nan 8.230 nan 0.000 0.636 359 D N 1.703 122.195 120.400 0.154 0.000 2.428 359 D HA 0.098 4.738 4.640 0.000 0.000 0.221 359 D C 1.324 177.443 176.300 -0.301 0.000 1.123 359 D CA -0.029 53.951 54.000 -0.033 0.000 0.869 359 D CB 0.696 41.501 40.800 0.008 0.000 1.032 359 D HN 0.477 nan 8.370 nan 0.000 0.506 360 K N 3.154 123.084 120.400 -0.782 0.000 2.280 360 K HA -0.157 4.163 4.320 0.000 0.000 0.202 360 K C 0.588 176.748 176.600 -0.733 0.000 1.047 360 K CA 1.014 56.477 56.287 -1.374 0.000 0.942 360 K CB -0.042 31.627 32.500 -1.385 0.000 0.739 360 K HN 0.424 nan 8.250 nan 0.000 0.457 361 H N 0.528 119.440 119.070 -0.263 0.000 2.551 361 H HA 0.180 4.736 4.556 0.000 0.000 0.266 361 H C 0.086 175.361 175.328 -0.088 0.000 0.964 361 H CA 0.296 56.258 56.048 -0.144 0.000 1.180 361 H CB 0.353 30.058 29.762 -0.096 0.000 1.408 361 H HN 0.258 nan 8.280 nan 0.000 0.563 362 N N 0.765 119.468 118.700 0.005 0.000 2.703 362 N HA 0.362 5.102 4.740 0.000 0.000 0.283 362 N C -0.940 174.592 175.510 0.037 0.000 1.851 362 N CA 0.013 53.080 53.050 0.028 0.000 0.826 362 N CB 1.674 40.185 38.487 0.040 0.000 1.239 362 N HN 0.095 nan 8.380 nan 0.000 0.495 363 A N 0.039 122.885 122.820 0.043 0.000 2.355 363 A HA 0.776 5.096 4.320 0.000 0.000 0.324 363 A C -0.143 177.510 177.584 0.115 0.000 1.117 363 A CA -0.511 51.601 52.037 0.125 0.000 0.785 363 A CB 1.140 20.286 19.000 0.243 0.000 1.254 363 A HN 0.101 nan 8.150 nan 0.000 0.453 364 S N 1.560 117.333 115.700 0.122 0.000 2.158 364 S HA 0.222 4.692 4.470 0.000 0.000 0.160 364 S C 0.911 175.573 174.600 0.103 0.000 1.693 364 S CA -0.471 57.788 58.200 0.098 0.000 1.251 364 S CB 0.824 64.070 63.200 0.077 0.000 1.153 364 S HN 0.534 nan 8.310 nan 0.000 0.439 365 V N 2.038 122.023 119.914 0.119 0.000 2.332 365 V HA -0.216 3.905 4.120 0.000 0.000 0.248 365 V C 2.145 178.272 176.094 0.057 0.000 1.055 365 V CA 2.006 64.359 62.300 0.088 0.000 1.038 365 V CB -0.420 31.469 31.823 0.109 0.000 0.651 365 V HN 0.550 nan 8.190 nan 0.000 0.450 366 E N 0.076 120.346 120.200 0.116 0.000 2.072 366 E HA -0.145 4.205 4.350 0.000 0.000 0.190 366 E C 2.220 178.877 176.600 0.095 0.000 0.982 366 E CA 0.974 57.475 56.400 0.169 0.000 0.803 366 E CB -0.287 29.538 29.700 0.208 0.000 0.755 366 E HN 0.534 nan 8.360 nan 0.000 0.453 367 K N 0.267 120.719 120.400 0.087 0.000 2.097 367 K HA -0.037 4.283 4.320 0.000 0.000 0.206 367 K C 2.267 178.923 176.600 0.093 0.000 1.049 367 K CA 1.338 57.678 56.287 0.087 0.000 0.933 367 K CB -0.100 32.448 32.500 0.080 0.000 0.717 367 K HN -0.047 nan 8.250 nan 0.000 0.442 368 S N 0.807 116.552 115.700 0.075 0.000 2.383 368 S HA -0.109 4.361 4.470 0.000 0.000 0.227 368 S C 1.847 176.506 174.600 0.099 0.000 1.026 368 S CA 0.954 59.204 58.200 0.083 0.000 0.981 368 S CB -0.062 63.174 63.200 0.060 0.000 0.818 368 S HN 0.248 nan 8.310 nan 0.000 0.472 369 Q N 0.746 120.549 119.800 0.005 0.000 2.079 369 Q HA 0.029 4.370 4.340 0.000 0.000 0.200 369 Q C 2.434 178.514 176.000 0.133 0.000 0.974 369 Q CA 0.913 56.717 55.803 0.002 0.000 0.840 369 Q CB -0.816 27.602 28.738 -0.532 0.000 0.898 369 Q HN 0.418 nan 8.270 nan 0.000 0.430 370 V N 0.407 120.385 119.914 0.106 0.000 2.343 370 V HA -0.202 3.918 4.120 0.000 0.000 0.247 370 V C 2.291 178.478 176.094 0.155 0.000 1.051 370 V CA 1.968 64.351 62.300 0.138 0.000 1.036 370 V CB -1.196 30.701 31.823 0.124 0.000 0.654 370 V HN 0.434 nan 8.190 nan 0.000 0.451 371 G N -0.850 108.075 108.800 0.210 0.000 2.418 371 G HA2 -0.302 3.659 3.960 0.000 0.000 0.217 371 G HA3 -0.302 3.659 3.960 0.000 0.000 0.217 371 G C 1.534 176.675 174.900 0.402 0.000 1.158 371 G CA 0.918 46.217 45.100 0.333 0.000 0.771 371 G HN 0.454 nan 8.290 nan 0.000 0.545 372 F N 1.609 121.654 119.950 0.159 0.000 2.126 372 F HA -0.013 4.515 4.527 0.000 0.000 0.299 372 F C 2.410 178.288 175.800 0.130 0.000 1.096 372 F CA 0.907 58.985 58.000 0.131 0.000 1.255 372 F CB -0.341 38.709 39.000 0.084 0.000 0.997 372 F HN 0.125 nan 8.300 nan 0.000 0.479 373 I N -0.108 120.478 120.570 0.028 0.000 2.233 373 I HA -0.260 3.910 4.170 0.000 0.000 0.243 373 I C 2.064 178.176 176.117 -0.010 0.000 1.093 373 I CA 1.451 62.706 61.300 -0.074 0.000 1.380 373 I CB -0.599 37.423 38.000 0.037 0.000 1.067 373 I HN 0.001 nan 8.210 nan 0.000 0.413 374 D N 0.225 120.611 120.400 -0.022 0.000 2.117 374 D HA -0.191 4.450 4.640 0.000 0.000 0.197 374 D C 1.975 178.149 176.300 -0.210 0.000 0.987 374 D CA 1.768 55.663 54.000 -0.176 0.000 0.829 374 D CB -0.222 40.369 40.800 -0.348 0.000 0.961 374 D HN 0.412 nan 8.370 nan 0.000 0.460 375 Y N -0.755 119.588 120.300 0.072 0.000 2.503 375 Y HA 0.109 4.659 4.550 0.000 0.000 0.278 375 Y C 1.936 177.894 175.900 0.097 0.000 1.111 375 Y CA 0.075 58.230 58.100 0.091 0.000 1.270 375 Y CB 0.674 39.194 38.460 0.100 0.000 1.063 375 Y HN -0.071 nan 8.280 nan 0.000 0.548 376 I N -2.502 118.155 120.570 0.146 0.000 3.746 376 I HA -0.020 4.150 4.170 0.000 0.000 0.262 376 I C 1.867 177.952 176.117 -0.054 0.000 1.153 376 I CA 0.516 61.821 61.300 0.008 0.000 1.395 376 I CB -0.819 37.115 38.000 -0.111 0.000 1.589 376 I HN -0.141 nan 8.210 nan 0.000 0.441 377 V N 1.455 121.226 119.914 -0.237 0.000 2.323 377 V HA -0.224 3.896 4.120 0.000 0.000 0.244 377 V C 2.550 178.709 176.094 0.108 0.000 1.041 377 V CA 1.950 64.158 62.300 -0.153 0.000 1.025 377 V CB -0.957 30.611 31.823 -0.425 0.000 0.656 377 V HN 0.457 nan 8.190 nan 0.000 0.451 378 H N 0.924 120.001 119.070 0.011 0.000 2.326 378 H HA -0.073 4.483 4.556 0.000 0.000 0.301 378 H C 0.001 175.394 175.328 0.108 0.000 1.081 378 H CA 2.101 58.194 56.048 0.074 0.000 1.334 378 H CB -0.963 28.810 29.762 0.018 0.000 1.385 378 H HN 0.311 nan 8.280 nan 0.000 0.504 379 P HA -0.162 nan 4.420 nan 0.000 0.216 379 P C 1.935 179.304 177.300 0.115 0.000 1.153 379 P CA 0.974 64.177 63.100 0.172 0.000 0.858 379 P CB -0.170 31.641 31.700 0.185 0.000 0.789 380 L N -1.852 119.450 121.223 0.132 0.000 2.005 380 L HA -0.044 4.296 4.340 0.000 0.000 0.207 380 L C 2.106 178.956 176.870 -0.033 0.000 1.072 380 L CA 1.771 56.643 54.840 0.055 0.000 0.744 380 L CB -1.436 40.651 42.059 0.046 0.000 0.895 380 L HN -0.059 nan 8.230 nan 0.000 0.433 381 W N 0.267 121.542 121.300 -0.042 0.000 2.436 381 W HA -0.100 4.561 4.660 0.001 0.000 0.284 381 W C 2.653 179.130 176.519 -0.069 0.000 1.225 381 W CA 1.359 58.674 57.345 -0.049 0.000 1.271 381 W CB -0.048 29.335 29.460 -0.129 0.000 1.114 381 W HN 0.295 nan 8.180 nan 0.000 0.559 382 E N -0.495 119.705 120.200 0.001 0.000 2.106 382 E HA -0.174 4.176 4.350 0.000 0.000 0.192 382 E C 1.829 178.440 176.600 0.018 0.000 0.984 382 E CA 1.786 58.153 56.400 -0.056 0.000 0.806 382 E CB -0.042 29.585 29.700 -0.121 0.000 0.750 382 E HN 0.075 nan 8.360 nan 0.000 0.458 383 T N 0.485 115.060 114.554 0.035 0.000 2.812 383 T HA -0.147 4.203 4.350 0.000 0.000 0.264 383 T C 1.214 175.929 174.700 0.025 0.000 1.042 383 T CA 0.919 63.031 62.100 0.019 0.000 1.140 383 T CB -0.389 68.493 68.868 0.023 0.000 0.870 383 T HN 0.426 nan 8.240 nan 0.000 0.445 384 W N 2.201 123.427 121.300 -0.122 0.000 2.358 384 W HA -0.115 4.545 4.660 0.000 0.000 0.303 384 W C 2.464 178.953 176.519 -0.050 0.000 1.208 384 W CA 1.254 58.511 57.345 -0.148 0.000 1.274 384 W CB -0.481 28.767 29.460 -0.352 0.000 1.138 384 W HN 0.293 nan 8.180 nan 0.000 0.515 385 A N 0.323 123.222 122.820 0.131 0.000 1.940 385 A HA -0.272 4.048 4.320 0.000 0.000 0.219 385 A C 1.788 179.357 177.584 -0.025 0.000 1.176 385 A CA 2.201 54.286 52.037 0.081 0.000 0.631 385 A CB -1.125 17.960 19.000 0.142 0.000 0.814 385 A HN 0.308 nan 8.150 nan 0.000 0.446 386 D N -0.500 119.855 120.400 -0.074 0.000 2.117 386 D HA -0.112 4.529 4.640 0.000 0.000 0.198 386 D C 1.839 178.058 176.300 -0.136 0.000 0.982 386 D CA 1.155 55.087 54.000 -0.113 0.000 0.828 386 D CB -0.215 40.520 40.800 -0.108 0.000 0.967 386 D HN 0.292 nan 8.370 nan 0.000 0.464 387 L N 0.562 121.641 121.223 -0.239 0.000 2.046 387 L HA -0.119 4.222 4.340 0.000 0.000 0.208 387 L C 1.949 178.619 176.870 -0.333 0.000 1.077 387 L CA 1.511 56.157 54.840 -0.323 0.000 0.747 387 L CB -0.238 41.517 42.059 -0.507 0.000 0.896 387 L HN 0.090 nan 8.230 nan 0.000 0.432 388 V N -3.266 116.409 119.914 -0.399 0.000 3.271 388 V HA 0.225 4.345 4.120 0.000 0.000 0.327 388 V C 0.649 176.675 176.094 -0.114 0.000 1.389 388 V CA -0.693 61.435 62.300 -0.287 0.000 1.156 388 V CB -1.595 30.004 31.823 -0.373 0.000 1.103 388 V HN 0.416 nan 8.190 nan 0.000 0.453 389 H N 3.938 122.913 119.070 -0.158 0.000 3.094 389 H HA 0.255 4.811 4.556 0.001 0.000 0.320 389 H C -1.552 173.730 175.328 -0.077 0.000 1.000 389 H CA -0.576 55.415 56.048 -0.096 0.000 1.413 389 H CB 1.364 31.078 29.762 -0.080 0.000 1.405 389 H HN 0.342 nan 8.280 nan 0.000 0.586 390 P HA 0.124 nan 4.420 nan 0.000 0.266 390 P C -0.018 177.186 177.300 -0.159 0.000 1.561 390 P CA -0.145 62.655 63.100 -0.501 0.000 1.089 390 P CB 0.594 31.916 31.700 -0.629 0.000 1.534 391 D N 1.678 122.015 120.400 -0.106 0.000 2.158 391 D HA -0.141 4.499 4.640 0.000 0.000 0.197 391 D C 1.607 177.887 176.300 -0.034 0.000 0.995 391 D CA 1.591 55.554 54.000 -0.061 0.000 0.846 391 D CB -0.421 40.355 40.800 -0.039 0.000 0.941 391 D HN 0.252 nan 8.370 nan 0.000 0.456 392 A N 0.124 122.951 122.820 0.012 0.000 2.415 392 A HA 0.085 4.405 4.320 0.000 0.000 0.248 392 A C 1.758 179.344 177.584 0.002 0.000 1.299 392 A CA -0.044 52.010 52.037 0.029 0.000 0.899 392 A CB 0.065 19.197 19.000 0.220 0.000 0.997 392 A HN -0.036 nan 8.150 nan 0.000 0.506 393 Q N 0.986 120.787 119.800 0.002 0.000 2.096 393 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 393 Q C 1.021 177.006 176.000 -0.025 0.000 0.982 393 Q CA 2.359 58.171 55.803 0.015 0.000 0.850 393 Q CB -0.167 28.584 28.738 0.021 0.000 0.901 393 Q HN 0.599 nan 8.270 nan 0.000 0.422 394 D N -0.476 119.889 120.400 -0.058 0.000 2.144 394 D HA -0.112 4.528 4.640 0.000 0.000 0.200 394 D C 1.853 178.083 176.300 -0.116 0.000 0.978 394 D CA 1.056 55.016 54.000 -0.067 0.000 0.833 394 D CB -0.112 40.651 40.800 -0.063 0.000 0.961 394 D HN 0.373 nan 8.370 nan 0.000 0.470 395 I N 0.286 120.719 120.570 -0.228 0.000 2.202 395 I HA -0.229 3.942 4.170 0.000 0.000 0.242 395 I C 2.323 178.280 176.117 -0.266 0.000 1.091 395 I CA 0.489 61.562 61.300 -0.379 0.000 1.368 395 I CB -0.092 37.477 38.000 -0.720 0.000 1.058 395 I HN -0.007 nan 8.210 nan 0.000 0.410 396 L N 0.818 121.950 121.223 -0.153 0.000 2.083 396 L HA -0.227 4.113 4.340 0.000 0.000 0.209 396 L C 1.907 178.763 176.870 -0.024 0.000 1.083 396 L CA 1.977 56.768 54.840 -0.081 0.000 0.752 396 L CB -0.733 41.323 42.059 -0.005 0.000 0.899 396 L HN 0.171 nan 8.230 nan 0.000 0.433 397 D N -1.231 119.162 120.400 -0.011 0.000 2.117 397 D HA -0.157 4.483 4.640 0.000 0.000 0.197 397 D C 2.070 178.384 176.300 0.023 0.000 0.987 397 D CA 1.789 55.802 54.000 0.022 0.000 0.829 397 D CB -0.244 40.567 40.800 0.018 0.000 0.961 397 D HN 0.345 nan 8.370 nan 0.000 0.460 398 T N 1.226 115.776 114.554 -0.006 0.000 2.746 398 T HA -0.130 4.220 4.350 0.000 0.000 0.267 398 T C 1.912 176.620 174.700 0.014 0.000 1.039 398 T CA 0.515 62.622 62.100 0.012 0.000 1.142 398 T CB -0.338 68.538 68.868 0.014 0.000 0.866 398 T HN 0.038 nan 8.240 nan 0.000 0.444 399 L N 1.549 122.745 121.223 -0.046 0.000 2.012 399 L HA -0.101 4.239 4.340 0.000 0.000 0.210 399 L C 2.232 179.153 176.870 0.084 0.000 1.073 399 L CA 1.859 56.674 54.840 -0.043 0.000 0.748 399 L CB -0.662 41.321 42.059 -0.127 0.000 0.891 399 L HN 0.274 nan 8.230 nan 0.000 0.431 400 E N -0.769 119.499 120.200 0.113 0.000 2.106 400 E HA -0.200 4.150 4.350 0.000 0.000 0.192 400 E C 1.783 178.460 176.600 0.129 0.000 0.984 400 E CA 1.170 57.651 56.400 0.135 0.000 0.806 400 E CB -0.142 29.639 29.700 0.134 0.000 0.750 400 E HN 0.556 nan 8.360 nan 0.000 0.458 401 D N 0.556 121.028 120.400 0.119 0.000 2.144 401 D HA -0.113 4.527 4.640 0.000 0.000 0.199 401 D C 1.609 178.038 176.300 0.216 0.000 0.984 401 D CA 0.766 54.849 54.000 0.139 0.000 0.834 401 D CB -0.263 40.600 40.800 0.104 0.000 0.955 401 D HN 0.073 nan 8.370 nan 0.000 0.465 402 N N 0.551 119.391 118.700 0.233 0.000 2.188 402 N HA -0.113 4.627 4.740 0.000 0.000 0.184 402 N C 1.754 177.571 175.510 0.512 0.000 1.018 402 N CA 0.382 53.666 53.050 0.390 0.000 0.858 402 N CB -0.166 38.570 38.487 0.416 0.000 0.989 402 N HN 0.132 nan 8.380 nan 0.000 0.426 403 R N 1.523 122.234 120.500 0.352 0.000 2.073 403 R HA -0.121 4.219 4.340 0.000 0.000 0.234 403 R C 1.692 178.158 176.300 0.276 0.000 1.134 403 R CA 1.329 57.614 56.100 0.309 0.000 0.952 403 R CB -0.256 30.146 30.300 0.169 0.000 0.850 403 R HN 0.144 nan 8.270 nan 0.000 0.433 404 E N -0.313 120.020 120.200 0.220 0.000 2.110 404 E HA -0.199 4.151 4.350 0.000 0.000 0.193 404 E C 1.732 178.445 176.600 0.189 0.000 0.988 404 E CA 1.634 58.133 56.400 0.165 0.000 0.804 404 E CB -0.637 29.143 29.700 0.133 0.000 0.745 404 E HN 0.427 nan 8.360 nan 0.000 0.458 405 W N -0.353 120.998 121.300 0.086 0.000 2.354 405 W HA -0.211 4.449 4.660 0.000 0.000 0.315 405 W C 1.743 178.263 176.519 0.001 0.000 1.206 405 W CA 1.914 59.270 57.345 0.017 0.000 1.290 405 W CB -0.652 28.791 29.460 -0.027 0.000 1.152 405 W HN 0.125 nan 8.180 nan 0.000 0.489 406 Y N 0.628 121.091 120.300 0.271 0.000 2.181 406 Y HA -0.303 4.247 4.550 0.001 0.000 0.288 406 Y C 2.697 178.548 175.900 -0.082 0.000 1.146 406 Y CA 2.365 60.499 58.100 0.058 0.000 1.164 406 Y CB -1.157 37.445 38.460 0.237 0.000 0.982 406 Y HN 0.061 nan 8.280 nan 0.000 0.515 407 Q N 0.412 120.297 119.800 0.142 0.000 2.124 407 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 407 Q C 2.297 178.270 176.000 -0.044 0.000 0.977 407 Q CA 2.158 57.994 55.803 0.055 0.000 0.850 407 Q CB -0.538 28.239 28.738 0.064 0.000 0.901 407 Q HN 0.426 nan 8.270 nan 0.000 0.429 408 S N -1.359 114.268 115.700 -0.122 0.000 2.474 408 S HA -0.122 4.348 4.470 0.000 0.000 0.235 408 S C 1.838 176.288 174.600 -0.250 0.000 0.997 408 S CA 1.278 59.372 58.200 -0.176 0.000 0.949 408 S CB -0.856 62.226 63.200 -0.196 0.000 0.766 408 S HN 0.597 nan 8.310 nan 0.000 0.517 409 T N -0.322 114.022 114.554 -0.351 0.000 3.067 409 T HA 0.254 4.604 4.350 0.000 0.000 0.261 409 T C 1.678 176.284 174.700 -0.156 0.000 1.110 409 T CA 0.411 62.312 62.100 -0.332 0.000 1.113 409 T CB -0.652 67.923 68.868 -0.490 0.000 0.917 409 T HN 0.450 nan 8.240 nan 0.000 0.499 410 I N 1.628 122.141 120.570 -0.094 0.000 2.163 410 I HA 0.059 4.229 4.170 0.000 0.000 0.240 410 I C -0.756 175.341 176.117 -0.034 0.000 1.081 410 I CA 0.060 61.338 61.300 -0.036 0.000 1.353 410 I CB -1.541 36.459 38.000 -0.000 0.000 1.054 410 I HN 0.293 nan 8.210 nan 0.000 0.407 411 P HA 0.000 nan 4.420 nan 0.000 0.216 411 P CA 0.000 63.082 63.100 -0.030 0.000 0.800 411 P CB 0.000 31.681 31.700 -0.031 0.000 0.726