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 1m8i_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATXXXXXXX XXCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.056 176.000 0.093 0.000 1.003 77 Q CA 0.000 55.717 55.803 -0.143 0.000 1.022 77 Q CB 0.000 28.450 28.738 -0.480 0.000 1.108 78 Y N -0.670 119.748 120.300 0.197 0.000 2.771 78 Y HA 0.890 5.441 4.550 0.000 0.000 0.359 78 Y C 0.281 176.325 175.900 0.241 0.000 1.247 78 Y CA -1.854 56.409 58.100 0.270 0.000 1.324 78 Y CB 0.575 39.179 38.460 0.240 0.000 1.539 78 Y HN 0.670 nan 8.280 nan 0.000 0.698 79 V N 1.334 121.610 119.914 0.604 0.000 2.655 79 V HA 0.355 4.475 4.120 0.000 0.000 0.301 79 V C -0.555 175.641 176.094 0.171 0.000 1.082 79 V CA -1.199 61.274 62.300 0.288 0.000 0.899 79 V CB 1.613 33.431 31.823 -0.007 0.000 1.014 79 V HN 0.655 nan 8.190 nan 0.000 0.429 80 R N 4.288 124.860 120.500 0.121 0.000 2.491 80 R HA 0.461 4.801 4.340 0.000 0.000 0.283 80 R C -0.970 175.275 176.300 -0.092 0.000 1.072 80 R CA -0.186 55.866 56.100 -0.079 0.000 1.048 80 R CB 0.754 31.022 30.300 -0.054 0.000 0.983 80 R HN 0.412 nan 8.270 nan 0.000 0.450 81 I N 3.221 123.676 120.570 -0.190 0.000 2.478 81 I HA 0.257 4.427 4.170 0.000 0.000 0.287 81 I C -0.091 175.889 176.117 -0.228 0.000 1.042 81 I CA -0.617 60.592 61.300 -0.152 0.000 1.067 81 I CB 1.748 39.657 38.000 -0.153 0.000 1.233 81 I HN 0.477 nan 8.210 nan 0.000 0.431 82 K N 4.937 125.221 120.400 -0.194 0.000 2.207 82 K HA 0.377 4.697 4.320 0.000 0.000 0.255 82 K C -0.346 176.077 176.600 -0.295 0.000 0.941 82 K CA -0.551 55.522 56.287 -0.356 0.000 0.825 82 K CB 1.454 33.581 32.500 -0.622 0.000 1.119 82 K HN 0.467 nan 8.250 nan 0.000 0.430 83 N N 4.369 122.895 118.700 -0.289 0.000 2.609 83 N HA 0.084 4.824 4.740 0.000 0.000 0.234 83 N C -0.207 175.231 175.510 -0.119 0.000 1.001 83 N CA -0.472 52.528 53.050 -0.083 0.000 0.926 83 N CB 0.190 38.654 38.487 -0.039 0.000 1.130 83 N HN 0.650 nan 8.380 nan 0.000 0.510 84 W N 2.245 123.589 121.300 0.074 0.000 2.436 84 W HA 0.005 4.665 4.660 0.000 0.000 0.261 84 W C 2.039 178.581 176.519 0.038 0.000 1.222 84 W CA 0.780 58.169 57.345 0.073 0.000 1.191 84 W CB -0.122 29.415 29.460 0.127 0.000 1.132 84 W HN 0.613 nan 8.180 nan 0.000 0.596 85 G N -0.580 108.320 108.800 0.167 0.000 2.395 85 G HA2 -0.160 3.800 3.960 0.000 0.000 0.214 85 G HA3 -0.160 3.800 3.960 0.000 0.000 0.214 85 G C 1.333 176.231 174.900 -0.003 0.000 1.177 85 G CA 1.162 46.272 45.100 0.016 0.000 0.794 85 G HN 0.270 nan 8.290 nan 0.000 0.532 86 S N -0.950 114.740 115.700 -0.016 0.000 2.663 86 S HA 0.424 4.894 4.470 0.000 0.000 0.243 86 S C 1.632 176.182 174.600 -0.083 0.000 1.009 86 S CA 0.866 59.041 58.200 -0.042 0.000 0.988 86 S CB 0.356 63.535 63.200 -0.035 0.000 0.896 86 S HN 1.437 nan 8.310 nan 0.000 0.502 87 G N 1.048 109.772 108.800 -0.127 0.000 2.200 87 G HA2 -0.343 3.618 3.960 0.000 0.000 0.268 87 G HA3 -0.343 3.618 3.960 0.000 0.000 0.268 87 G C -0.034 174.739 174.900 -0.212 0.000 0.986 87 G CA 0.641 45.621 45.100 -0.200 0.000 0.677 87 G HN 0.657 nan 8.290 nan 0.000 0.532 88 E N 0.467 120.558 120.200 -0.182 0.000 2.415 88 E HA 0.400 4.750 4.350 0.000 0.000 0.263 88 E C 0.774 177.223 176.600 -0.252 0.000 0.995 88 E CA -0.043 56.248 56.400 -0.182 0.000 0.915 88 E CB 0.212 29.827 29.700 -0.142 0.000 0.951 88 E HN 0.261 nan 8.360 nan 0.000 0.449 89 I N 5.577 125.985 120.570 -0.269 0.000 2.441 89 I HA 0.374 4.544 4.170 0.000 0.000 0.295 89 I C -0.221 175.623 176.117 -0.454 0.000 0.994 89 I CA -0.685 60.397 61.300 -0.365 0.000 1.144 89 I CB 0.935 38.718 38.000 -0.363 0.000 1.314 89 I HN 0.468 nan 8.210 nan 0.000 0.445 90 L N 5.048 125.937 121.223 -0.558 0.000 2.371 90 L HA 0.462 4.802 4.340 0.000 0.000 0.262 90 L C -1.046 175.434 176.870 -0.649 0.000 1.006 90 L CA -0.772 53.717 54.840 -0.585 0.000 0.818 90 L CB 2.399 44.026 42.059 -0.720 0.000 1.354 90 L HN 0.521 nan 8.230 nan 0.000 0.415 91 H N 0.220 119.186 119.070 -0.173 0.000 2.638 91 H HA 0.205 4.761 4.556 0.000 0.000 0.317 91 H C -1.010 174.441 175.328 0.205 0.000 1.006 91 H CA -0.601 55.346 56.048 -0.168 0.000 1.222 91 H CB 1.375 30.837 29.762 -0.500 0.000 1.419 91 H HN 0.359 nan 8.280 nan 0.000 0.489 92 D N 2.612 123.255 120.400 0.404 0.000 2.339 92 D HA -0.010 4.630 4.640 0.000 0.000 0.241 92 D C 0.888 177.463 176.300 0.458 0.000 1.183 92 D CA 0.116 54.406 54.000 0.483 0.000 0.859 92 D CB 1.077 42.157 40.800 0.467 0.000 1.067 92 D HN 0.749 nan 8.370 nan 0.000 0.484 93 T N 1.192 115.929 114.554 0.306 0.000 2.990 93 T HA -0.055 4.295 4.350 0.000 0.000 0.249 93 T C 1.873 176.600 174.700 0.046 0.000 1.039 93 T CA -0.168 62.067 62.100 0.225 0.000 1.036 93 T CB 0.036 69.008 68.868 0.173 0.000 0.994 93 T HN 0.264 nan 8.240 nan 0.000 0.489 94 L N 2.812 124.039 121.223 0.007 0.000 2.141 94 L HA -0.027 4.313 4.340 0.000 0.000 0.209 94 L C 2.584 179.285 176.870 -0.282 0.000 1.094 94 L CA 1.880 56.678 54.840 -0.071 0.000 0.763 94 L CB -0.843 41.211 42.059 -0.008 0.000 0.908 94 L HN 0.592 nan 8.230 nan 0.000 0.437 95 H N -2.555 116.163 119.070 -0.586 0.000 2.541 95 H HA -0.210 4.347 4.556 0.000 0.000 0.289 95 H C 1.584 176.547 175.328 -0.608 0.000 1.054 95 H CA 1.831 57.165 56.048 -1.190 0.000 1.250 95 H CB -0.793 28.330 29.762 -1.064 0.000 1.369 95 H HN 0.549 nan 8.280 nan 0.000 0.578 96 H N 1.184 119.768 119.070 -0.810 0.000 2.457 96 H HA 0.057 4.614 4.556 0.000 0.000 0.294 96 H C 1.601 176.783 175.328 -0.243 0.000 1.064 96 H CA 1.067 56.813 56.048 -0.503 0.000 1.330 96 H CB 0.339 29.849 29.762 -0.419 0.000 1.395 96 H HN 0.309 nan 8.280 nan 0.000 0.541 97 K N 0.809 121.154 120.400 -0.092 0.000 2.522 97 K HA 0.190 4.510 4.320 0.000 0.000 0.194 97 K C 0.630 177.225 176.600 -0.008 0.000 1.026 97 K CA -0.000 56.275 56.287 -0.020 0.000 1.119 97 K CB 0.429 32.935 32.500 0.009 0.000 0.856 97 K HN 0.176 nan 8.250 nan 0.000 0.513 98 A N 1.732 124.521 122.820 -0.052 0.000 2.346 98 A HA 0.189 4.509 4.320 0.000 0.000 0.255 98 A C 0.763 178.351 177.584 0.008 0.000 1.113 98 A CA -0.066 51.972 52.037 0.002 0.000 0.798 98 A CB 0.210 19.200 19.000 -0.017 0.000 1.073 98 A HN 0.322 nan 8.150 nan 0.000 0.502 110 L N 1.841 123.081 121.223 0.029 0.000 2.436 110 L HA 0.303 4.643 4.340 0.000 0.000 0.298 110 L C 0.859 177.760 176.870 0.052 0.000 1.267 110 L CA 1.254 56.117 54.840 0.039 0.000 0.646 110 L CB -0.504 41.578 42.059 0.038 0.000 0.954 110 L HN 0.499 nan 8.230 nan 0.000 0.516 111 G N 0.162 108.994 108.800 0.054 0.000 2.497 111 G HA2 -0.062 3.898 3.960 0.000 0.000 0.210 111 G HA3 -0.062 3.898 3.960 0.000 0.000 0.210 111 G C 0.949 175.914 174.900 0.109 0.000 1.177 111 G CA 0.862 46.007 45.100 0.075 0.000 0.822 111 G HN 0.559 nan 8.290 nan 0.000 0.550 112 S N 0.930 116.692 115.700 0.103 0.000 2.871 112 S HA 0.384 4.854 4.470 0.000 0.000 0.254 112 S C 0.277 174.952 174.600 0.126 0.000 1.088 112 S CA -0.479 57.799 58.200 0.130 0.000 1.166 112 S CB -0.417 62.847 63.200 0.108 0.000 0.826 112 S HN 0.035 nan 8.310 nan 0.000 0.471 113 I N 1.988 122.630 120.570 0.120 0.000 2.353 113 I HA 0.283 4.453 4.170 0.000 0.000 0.293 113 I C 1.396 177.594 176.117 0.136 0.000 0.992 113 I CA -0.431 60.931 61.300 0.103 0.000 1.268 113 I CB 1.006 39.052 38.000 0.076 0.000 1.387 113 I HN 0.335 nan 8.210 nan 0.000 0.478 114 M N 4.584 124.259 119.600 0.125 0.000 2.115 114 M HA -0.077 4.403 4.480 0.000 0.000 0.261 114 M C 0.241 176.545 176.300 0.007 0.000 1.079 114 M CA 1.756 57.144 55.300 0.148 0.000 1.143 114 M CB -0.234 32.444 32.600 0.131 0.000 1.332 114 M HN 0.525 nan 8.290 nan 0.000 0.421 115 N N 1.152 119.809 118.700 -0.071 0.000 3.114 115 N HA 0.225 4.965 4.740 0.000 0.000 0.289 115 N C -2.432 173.069 175.510 -0.015 0.000 1.519 115 N CA -0.984 51.963 53.050 -0.172 0.000 1.026 115 N CB 0.373 38.706 38.487 -0.257 0.000 1.306 115 N HN 0.214 nan 8.380 nan 0.000 0.495 116 P HA 0.123 nan 4.420 nan 0.000 0.274 116 P C 0.049 177.409 177.300 0.100 0.000 1.237 116 P CA -0.404 62.744 63.100 0.079 0.000 0.793 116 P CB 1.444 33.200 31.700 0.093 0.000 0.977 117 K N 0.762 121.205 120.400 0.073 0.000 2.059 117 K HA -0.198 4.122 4.320 0.000 0.000 0.212 117 K C 2.022 178.679 176.600 0.093 0.000 1.050 117 K CA 2.455 58.781 56.287 0.066 0.000 0.927 117 K CB -1.879 30.647 32.500 0.043 0.000 0.714 117 K HN 0.571 nan 8.250 nan 0.000 0.447 118 S N 0.419 116.180 115.700 0.101 0.000 2.474 118 S HA -0.021 4.449 4.470 0.000 0.000 0.235 118 S C 1.464 176.191 174.600 0.213 0.000 0.997 118 S CA 0.724 58.994 58.200 0.118 0.000 0.949 118 S CB -0.354 62.896 63.200 0.083 0.000 0.766 118 S HN 0.263 nan 8.310 nan 0.000 0.517 119 L N 1.391 122.776 121.223 0.270 0.000 2.818 119 L HA 0.329 4.669 4.340 0.000 0.000 0.243 119 L C -0.346 176.854 176.870 0.551 0.000 1.185 119 L CA -0.132 54.953 54.840 0.408 0.000 0.988 119 L CB 0.231 42.492 42.059 0.338 0.000 1.292 119 L HN 0.186 nan 8.230 nan 0.000 0.519 120 T N -0.238 114.556 114.554 0.400 0.000 2.812 120 T HA 0.390 4.740 4.350 0.000 0.000 0.282 120 T C -0.459 174.288 174.700 0.078 0.000 0.990 120 T CA -0.493 61.782 62.100 0.292 0.000 0.960 120 T CB 2.285 71.262 68.868 0.181 0.000 0.948 120 T HN -0.084 nan 8.240 nan 0.000 0.438 121 R N 2.252 122.757 120.500 0.009 0.000 2.287 121 R HA 0.590 4.931 4.340 0.000 0.000 0.316 121 R C 0.548 176.815 176.300 -0.056 0.000 1.050 121 R CA -0.458 55.532 56.100 -0.183 0.000 0.983 121 R CB -0.011 30.065 30.300 -0.374 0.000 1.140 121 R HN 0.825 nan 8.270 nan 0.000 0.528 122 G N 3.420 112.188 108.800 -0.053 0.000 2.588 122 G HA2 0.320 4.280 3.960 0.000 0.000 0.278 122 G HA3 0.320 4.280 3.960 0.000 0.000 0.278 122 G C -1.995 172.881 174.900 -0.039 0.000 1.307 122 G CA -0.953 44.125 45.100 -0.037 0.000 1.016 122 G HN 0.580 nan 8.290 nan 0.000 0.503 123 P HA 0.297 nan 4.420 nan 0.000 0.272 123 P C -0.847 176.434 177.300 -0.031 0.000 1.230 123 P CA -0.099 62.984 63.100 -0.029 0.000 0.788 123 P CB 0.892 32.574 31.700 -0.029 0.000 0.949 124 R N -0.086 120.396 120.500 -0.030 0.000 2.643 124 R HA 0.422 4.762 4.340 0.000 0.000 0.269 124 R C -0.748 175.527 176.300 -0.040 0.000 1.037 124 R CA -0.817 55.263 56.100 -0.033 0.000 0.894 124 R CB 0.766 31.046 30.300 -0.033 0.000 1.238 124 R HN 0.238 nan 8.270 nan 0.000 0.459 125 D N 0.967 121.343 120.400 -0.041 0.000 2.424 125 D HA 0.192 4.832 4.640 0.000 0.000 0.220 125 D C -0.580 175.687 176.300 -0.055 0.000 1.150 125 D CA -0.296 53.671 54.000 -0.054 0.000 0.831 125 D CB 0.421 41.193 40.800 -0.047 0.000 0.981 125 D HN 0.449 nan 8.370 nan 0.000 0.500 126 K N 0.245 120.619 120.400 -0.045 0.000 2.502 126 K HA 0.491 4.811 4.320 0.000 0.000 0.257 126 K C -2.985 173.596 176.600 -0.032 0.000 0.938 126 K CA -1.927 54.338 56.287 -0.037 0.000 0.819 126 K CB 2.421 34.906 32.500 -0.025 0.000 1.333 126 K HN -0.194 nan 8.250 nan 0.000 0.434 127 P HA -0.035 nan 4.420 nan 0.000 0.272 127 P C -0.507 176.789 177.300 -0.007 0.000 1.223 127 P CA -0.256 62.835 63.100 -0.015 0.000 0.784 127 P CB 0.526 32.224 31.700 -0.005 0.000 0.923 128 T N 2.880 117.434 114.554 -0.000 0.000 2.793 128 T HA 0.164 4.514 4.350 0.000 0.000 0.289 128 T C -2.170 172.538 174.700 0.013 0.000 0.956 128 T CA -1.396 60.709 62.100 0.009 0.000 1.177 128 T CB -0.839 68.044 68.868 0.024 0.000 0.897 128 T HN 0.161 nan 8.240 nan 0.000 0.533 129 P HA -0.007 nan 4.420 nan 0.000 0.265 129 P C 1.183 178.479 177.300 -0.006 0.000 1.187 129 P CA -0.521 62.577 63.100 -0.003 0.000 0.766 129 P CB 0.417 32.111 31.700 -0.011 0.000 0.820 130 L N 2.842 124.061 121.223 -0.007 0.000 2.013 130 L HA -0.197 4.143 4.340 0.000 0.000 0.212 130 L C 1.897 178.746 176.870 -0.035 0.000 1.073 130 L CA 2.135 56.967 54.840 -0.012 0.000 0.753 130 L CB -1.872 40.180 42.059 -0.011 0.000 0.890 130 L HN 0.416 nan 8.230 nan 0.000 0.432 131 E N -0.174 120.002 120.200 -0.039 0.000 2.219 131 E HA -0.223 4.127 4.350 0.000 0.000 0.198 131 E C 2.175 178.717 176.600 -0.098 0.000 0.998 131 E CA 1.223 57.589 56.400 -0.056 0.000 0.818 131 E CB -0.120 29.555 29.700 -0.043 0.000 0.741 131 E HN 0.561 nan 8.360 nan 0.000 0.477 132 E N -0.544 119.597 120.200 -0.098 0.000 2.099 132 E HA -0.048 4.302 4.350 0.000 0.000 0.191 132 E C 1.849 178.316 176.600 -0.221 0.000 0.962 132 E CA 0.126 56.427 56.400 -0.166 0.000 0.826 132 E CB 0.049 29.709 29.700 -0.068 0.000 0.788 132 E HN 0.177 nan 8.360 nan 0.000 0.461 133 L N 1.194 122.382 121.223 -0.057 0.000 2.027 133 L HA -0.092 4.248 4.340 0.000 0.000 0.206 133 L C 2.271 179.154 176.870 0.022 0.000 1.074 133 L CA 1.301 56.166 54.840 0.041 0.000 0.745 133 L CB -0.726 41.382 42.059 0.082 0.000 0.898 133 L HN 0.254 nan 8.230 nan 0.000 0.433 134 L N 1.081 122.284 121.223 -0.033 0.000 2.013 134 L HA -0.097 4.243 4.340 0.000 0.000 0.212 134 L C -0.566 176.281 176.870 -0.039 0.000 1.073 134 L CA 2.322 57.131 54.840 -0.052 0.000 0.753 134 L CB -1.923 40.103 42.059 -0.055 0.000 0.890 134 L HN 0.275 nan 8.230 nan 0.000 0.432 135 P HA -0.164 nan 4.420 nan 0.000 0.221 135 P C 1.003 178.344 177.300 0.070 0.000 1.150 135 P CA 1.555 64.632 63.100 -0.039 0.000 0.800 135 P CB -0.249 31.390 31.700 -0.102 0.000 0.787 136 H N 0.451 119.563 119.070 0.069 0.000 2.363 136 H HA 0.123 4.679 4.556 0.000 0.000 0.301 136 H C 2.212 177.642 175.328 0.170 0.000 1.074 136 H CA 1.307 57.423 56.048 0.114 0.000 1.354 136 H CB -1.048 28.780 29.762 0.110 0.000 1.397 136 H HN 0.080 nan 8.280 nan 0.000 0.516 137 A N 0.973 123.947 122.820 0.257 0.000 1.902 137 A HA -0.123 4.197 4.320 0.000 0.000 0.217 137 A C 2.613 180.293 177.584 0.159 0.000 1.181 137 A CA 1.495 53.638 52.037 0.177 0.000 0.623 137 A CB -0.837 18.018 19.000 -0.241 0.000 0.818 137 A HN 0.323 nan 8.150 nan 0.000 0.443 138 I N -0.531 120.095 120.570 0.093 0.000 2.252 138 I HA -0.240 3.930 4.170 0.000 0.000 0.245 138 I C 2.508 178.717 176.117 0.154 0.000 1.102 138 I CA 1.707 63.063 61.300 0.093 0.000 1.385 138 I CB -0.345 37.684 38.000 0.049 0.000 1.064 138 I HN 0.506 nan 8.210 nan 0.000 0.414 139 E N 1.668 121.980 120.200 0.187 0.000 2.038 139 E HA -0.304 4.046 4.350 0.000 0.000 0.195 139 E C 2.102 178.850 176.600 0.248 0.000 1.000 139 E CA 1.803 58.326 56.400 0.205 0.000 0.803 139 E CB -0.544 29.293 29.700 0.227 0.000 0.750 139 E HN 0.383 nan 8.360 nan 0.000 0.448 140 F N 1.016 121.078 119.950 0.186 0.000 2.069 140 F HA -0.155 4.372 4.527 0.000 0.000 0.298 140 F C 1.949 177.882 175.800 0.221 0.000 1.113 140 F CA 1.487 59.616 58.000 0.216 0.000 1.214 140 F CB -0.438 38.707 39.000 0.241 0.000 0.978 140 F HN 0.084 nan 8.300 nan 0.000 0.474 141 I N 0.857 121.394 120.570 -0.055 0.000 2.264 141 I HA -0.336 3.834 4.170 0.000 0.000 0.248 141 I C 1.921 178.042 176.117 0.007 0.000 1.111 141 I CA 1.665 62.918 61.300 -0.078 0.000 1.382 141 I CB -1.866 36.217 38.000 0.138 0.000 1.060 141 I HN 0.284 nan 8.210 nan 0.000 0.418 142 N N 0.354 119.108 118.700 0.090 0.000 2.188 142 N HA -0.214 4.526 4.740 0.000 0.000 0.184 142 N C 1.879 177.398 175.510 0.016 0.000 1.018 142 N CA 0.750 53.878 53.050 0.129 0.000 0.858 142 N CB -0.161 38.447 38.487 0.202 0.000 0.989 142 N HN 0.435 nan 8.380 nan 0.000 0.426 143 Q N -0.232 119.573 119.800 0.008 0.000 2.079 143 Q HA -0.207 4.133 4.340 0.000 0.000 0.200 143 Q C 1.810 177.731 176.000 -0.133 0.000 0.974 143 Q CA 1.212 57.035 55.803 0.034 0.000 0.840 143 Q CB -0.089 28.758 28.738 0.182 0.000 0.898 143 Q HN 0.525 nan 8.270 nan 0.000 0.430 144 Y N -0.292 119.669 120.300 -0.564 0.000 2.049 144 Y HA -0.316 4.234 4.550 0.000 0.000 0.277 144 Y C 1.642 177.184 175.900 -0.597 0.000 1.143 144 Y CA 2.062 59.552 58.100 -1.017 0.000 1.115 144 Y CB -0.453 37.339 38.460 -1.113 0.000 0.975 144 Y HN 0.162 nan 8.280 nan 0.000 0.487 145 Y N 0.207 120.305 120.300 -0.337 0.000 2.483 145 Y HA -0.063 4.487 4.550 0.000 0.000 0.291 145 Y C 2.480 178.270 175.900 -0.184 0.000 1.143 145 Y CA 1.136 59.023 58.100 -0.355 0.000 1.289 145 Y CB -0.755 37.198 38.460 -0.845 0.000 0.983 145 Y HN 0.295 nan 8.280 nan 0.000 0.556 146 G N -1.350 107.405 108.800 -0.074 0.000 2.511 146 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 146 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 146 G C 1.753 176.657 174.900 0.007 0.000 1.133 146 G CA 0.835 45.941 45.100 0.009 0.000 0.792 146 G HN 0.459 nan 8.290 nan 0.000 0.539 147 S N 0.136 115.777 115.700 -0.097 0.000 2.436 147 S HA 0.176 4.646 4.470 0.000 0.000 0.228 147 S C 0.800 175.321 174.600 -0.132 0.000 1.014 147 S CA -0.455 57.677 58.200 -0.114 0.000 0.950 147 S CB -0.422 62.677 63.200 -0.167 0.000 0.784 147 S HN 0.100 nan 8.310 nan 0.000 0.504 148 F N 3.261 123.062 119.950 -0.249 0.000 2.608 148 F HA 0.151 4.678 4.527 0.000 0.000 0.380 148 F C 1.716 177.462 175.800 -0.089 0.000 1.083 148 F CA -0.135 57.755 58.000 -0.184 0.000 1.266 148 F CB 0.501 39.385 39.000 -0.194 0.000 1.076 148 F HN 0.063 nan 8.300 nan 0.000 0.574 149 K N 1.155 121.606 120.400 0.085 0.000 2.097 149 K HA -0.085 4.235 4.320 0.000 0.000 0.205 149 K C 0.072 176.717 176.600 0.075 0.000 1.050 149 K CA 1.013 57.334 56.287 0.057 0.000 0.938 149 K CB 0.011 32.529 32.500 0.030 0.000 0.718 149 K HN 0.438 nan 8.250 nan 0.000 0.442 150 E N 1.201 121.468 120.200 0.111 0.000 2.070 150 E HA 0.252 4.602 4.350 0.000 0.000 0.261 150 E C -0.950 175.684 176.600 0.057 0.000 0.926 150 E CA -0.314 56.131 56.400 0.074 0.000 0.760 150 E CB 1.200 30.938 29.700 0.064 0.000 1.133 150 E HN 0.194 nan 8.360 nan 0.000 0.420 151 A N 3.711 126.551 122.820 0.034 0.000 2.566 151 A HA -0.042 4.278 4.320 0.000 0.000 0.245 151 A C 0.615 178.161 177.584 -0.063 0.000 1.056 151 A CA 0.437 52.474 52.037 -0.001 0.000 0.757 151 A CB 0.094 19.105 19.000 0.019 0.000 0.979 151 A HN 0.422 nan 8.150 nan 0.000 0.508 152 K N 4.203 124.518 120.400 -0.141 0.000 2.655 152 K HA 0.265 4.585 4.320 0.000 0.000 0.213 152 K C 0.761 177.294 176.600 -0.111 0.000 1.126 152 K CA -0.560 55.633 56.287 -0.157 0.000 1.076 152 K CB -0.117 32.215 32.500 -0.280 0.000 1.644 152 K HN 0.742 nan 8.250 nan 0.000 0.523 153 I N 1.213 121.744 120.570 -0.066 0.000 2.113 153 I HA -0.368 3.802 4.170 0.000 0.000 0.242 153 I C 2.151 178.198 176.117 -0.116 0.000 1.057 153 I CA 1.681 62.940 61.300 -0.069 0.000 1.314 153 I CB -0.853 37.108 38.000 -0.065 0.000 1.022 153 I HN 0.606 nan 8.210 nan 0.000 0.408 154 E N 1.606 121.742 120.200 -0.105 0.000 2.013 154 E HA -0.297 4.053 4.350 0.000 0.000 0.202 154 E C 2.173 178.687 176.600 -0.142 0.000 1.018 154 E CA 2.266 58.602 56.400 -0.107 0.000 0.834 154 E CB -0.470 29.184 29.700 -0.076 0.000 0.770 154 E HN 0.480 nan 8.360 nan 0.000 0.459 155 E N -1.265 118.841 120.200 -0.157 0.000 2.204 155 E HA -0.260 4.090 4.350 0.000 0.000 0.195 155 E C 2.063 178.376 176.600 -0.479 0.000 0.990 155 E CA 1.030 57.313 56.400 -0.195 0.000 0.821 155 E CB -0.251 29.404 29.700 -0.074 0.000 0.750 155 E HN 0.593 nan 8.360 nan 0.000 0.477 156 H N -0.311 118.270 119.070 -0.815 0.000 2.270 156 H HA -0.138 4.418 4.556 0.000 0.000 0.299 156 H C 2.108 177.093 175.328 -0.573 0.000 1.077 156 H CA 1.105 56.461 56.048 -1.155 0.000 1.294 156 H CB 0.153 29.524 29.762 -0.652 0.000 1.371 156 H HN 0.153 nan 8.280 nan 0.000 0.491 157 L N 0.878 121.932 121.223 -0.281 0.000 2.042 157 L HA -0.180 4.160 4.340 0.000 0.000 0.210 157 L C 2.899 179.683 176.870 -0.144 0.000 1.076 157 L CA 1.684 56.388 54.840 -0.227 0.000 0.749 157 L CB -1.697 40.246 42.059 -0.194 0.000 0.893 157 L HN 0.485 nan 8.230 nan 0.000 0.432 158 A N -0.368 122.369 122.820 -0.138 0.000 1.883 158 A HA -0.269 4.051 4.320 0.000 0.000 0.217 158 A C 2.429 179.985 177.584 -0.047 0.000 1.186 158 A CA 1.941 53.930 52.037 -0.080 0.000 0.624 158 A CB -0.467 18.494 19.000 -0.066 0.000 0.822 158 A HN 0.324 nan 8.150 nan 0.000 0.444 159 R N -0.087 120.376 120.500 -0.061 0.000 2.066 159 R HA 0.037 4.377 4.340 0.000 0.000 0.232 159 R C 1.962 178.287 176.300 0.041 0.000 1.131 159 R CA 1.527 57.650 56.100 0.039 0.000 0.955 159 R CB -0.934 29.458 30.300 0.153 0.000 0.851 159 R HN 0.512 nan 8.270 nan 0.000 0.432 160 L N 0.320 121.554 121.223 0.017 0.000 1.990 160 L HA -0.224 4.116 4.340 0.000 0.000 0.213 160 L C 2.562 179.422 176.870 -0.017 0.000 1.072 160 L CA 2.201 57.051 54.840 0.016 0.000 0.755 160 L CB -0.561 41.493 42.059 -0.007 0.000 0.889 160 L HN 0.418 nan 8.230 nan 0.000 0.432 161 E N -0.162 120.019 120.200 -0.032 0.000 2.058 161 E HA -0.265 4.085 4.350 0.000 0.000 0.194 161 E C 2.145 178.736 176.600 -0.016 0.000 0.997 161 E CA 1.303 57.684 56.400 -0.031 0.000 0.801 161 E CB -0.035 29.642 29.700 -0.038 0.000 0.746 161 E HN 0.479 nan 8.360 nan 0.000 0.450 162 A N 0.397 123.217 122.820 -0.001 0.000 1.877 162 A HA -0.147 4.173 4.320 0.000 0.000 0.216 162 A C 2.424 180.020 177.584 0.021 0.000 1.186 162 A CA 1.581 53.629 52.037 0.019 0.000 0.620 162 A CB -0.729 18.295 19.000 0.040 0.000 0.822 162 A HN 0.236 nan 8.150 nan 0.000 0.443 163 V N -0.100 119.820 119.914 0.010 0.000 2.407 163 V HA -0.225 3.895 4.120 0.000 0.000 0.248 163 V C 2.731 178.762 176.094 -0.106 0.000 1.055 163 V CA 2.416 64.687 62.300 -0.049 0.000 1.049 163 V CB -1.320 30.430 31.823 -0.121 0.000 0.662 163 V HN 0.624 nan 8.190 nan 0.000 0.455 164 T N -0.532 113.976 114.554 -0.076 0.000 2.652 164 T HA -0.261 4.089 4.350 0.000 0.000 0.267 164 T C 1.992 176.668 174.700 -0.039 0.000 1.039 164 T CA 1.780 63.840 62.100 -0.068 0.000 1.153 164 T CB -0.211 68.629 68.868 -0.047 0.000 0.863 164 T HN 0.388 nan 8.240 nan 0.000 0.428 165 K N 0.580 120.969 120.400 -0.019 0.000 2.057 165 K HA -0.107 4.213 4.320 0.000 0.000 0.207 165 K C 2.474 179.081 176.600 0.012 0.000 1.049 165 K CA 1.293 57.578 56.287 -0.003 0.000 0.931 165 K CB -0.099 32.402 32.500 0.003 0.000 0.714 165 K HN 0.407 nan 8.250 nan 0.000 0.440 166 E N 0.598 120.812 120.200 0.024 0.000 2.118 166 E HA -0.197 4.153 4.350 0.000 0.000 0.195 166 E C 1.807 178.444 176.600 0.062 0.000 0.992 166 E CA 1.172 57.606 56.400 0.057 0.000 0.804 166 E CB 0.027 29.787 29.700 0.101 0.000 0.741 166 E HN 0.300 nan 8.360 nan 0.000 0.458 167 I N 0.417 121.004 120.570 0.030 0.000 2.406 167 I HA -0.168 4.002 4.170 0.000 0.000 0.249 167 I C 2.065 178.194 176.117 0.021 0.000 1.122 167 I CA 0.895 62.214 61.300 0.032 0.000 1.431 167 I CB -0.155 37.826 38.000 -0.032 0.000 1.087 167 I HN 0.082 nan 8.210 nan 0.000 0.424 168 E N 0.341 120.544 120.200 0.006 0.000 2.152 168 E HA -0.129 4.221 4.350 0.000 0.000 0.192 168 E C 2.013 178.621 176.600 0.013 0.000 0.983 168 E CA 1.531 57.933 56.400 0.004 0.000 0.818 168 E CB 0.051 29.748 29.700 -0.004 0.000 0.758 168 E HN 0.456 nan 8.360 nan 0.000 0.467 169 T N -0.102 114.464 114.554 0.021 0.000 2.706 169 T HA -0.093 4.257 4.350 0.000 0.000 0.255 169 T C 2.113 176.832 174.700 0.031 0.000 1.048 169 T CA 1.679 63.793 62.100 0.024 0.000 1.153 169 T CB -0.371 68.514 68.868 0.028 0.000 0.865 169 T HN 0.286 nan 8.240 nan 0.000 0.414 170 T N -1.075 113.504 114.554 0.042 0.000 3.065 170 T HA 0.416 4.766 4.350 0.000 0.000 0.252 170 T C 1.669 176.399 174.700 0.050 0.000 1.099 170 T CA 0.544 62.672 62.100 0.047 0.000 1.063 170 T CB -0.016 68.887 68.868 0.058 0.000 0.948 170 T HN 0.615 nan 8.240 nan 0.000 0.506 171 G N 0.421 109.251 108.800 0.051 0.000 2.160 171 G HA2 -0.125 3.835 3.960 0.000 0.000 0.244 171 G HA3 -0.125 3.835 3.960 0.000 0.000 0.244 171 G C 0.120 175.066 174.900 0.077 0.000 1.022 171 G CA 0.398 45.528 45.100 0.050 0.000 0.741 171 G HN 1.019 nan 8.290 nan 0.000 0.508 172 T N -1.644 112.980 114.554 0.117 0.000 2.676 172 T HA 0.623 4.973 4.350 0.000 0.000 0.308 172 T C -1.542 173.330 174.700 0.287 0.000 1.740 172 T CA 0.394 62.604 62.100 0.183 0.000 0.982 172 T CB 1.091 70.015 68.868 0.092 0.000 1.724 172 T HN 1.739 nan 8.240 nan 0.000 0.497 173 Y N -0.235 120.085 120.300 0.034 0.000 2.655 173 Y HA 0.851 5.401 4.550 0.000 0.000 0.336 173 Y C -1.471 174.464 175.900 0.058 0.000 1.154 173 Y CA -1.200 56.930 58.100 0.051 0.000 1.055 173 Y CB 0.909 39.410 38.460 0.068 0.000 1.295 173 Y HN 0.460 nan 8.280 nan 0.000 0.465 174 Q N 2.021 121.856 119.800 0.059 0.000 2.337 174 Q HA 0.529 4.869 4.340 0.000 0.000 0.266 174 Q C -1.004 175.002 176.000 0.009 0.000 1.023 174 Q CA -0.772 55.010 55.803 -0.035 0.000 0.829 174 Q CB 2.976 31.740 28.738 0.043 0.000 1.306 174 Q HN 0.853 nan 8.270 nan 0.000 0.449 175 L N 1.362 122.564 121.223 -0.035 0.000 2.399 175 L HA 0.376 4.716 4.340 0.000 0.000 0.266 175 L C 0.980 177.878 176.870 0.046 0.000 1.114 175 L CA -0.556 54.310 54.840 0.044 0.000 0.804 175 L CB 0.881 42.965 42.059 0.041 0.000 1.146 175 L HN 0.659 nan 8.230 nan 0.000 0.451 176 T N -0.937 113.637 114.554 0.033 0.000 2.904 176 T HA 0.146 4.496 4.350 0.000 0.000 0.290 176 T C 0.957 175.661 174.700 0.007 0.000 1.018 176 T CA -0.757 61.355 62.100 0.020 0.000 1.075 176 T CB 1.204 70.078 68.868 0.010 0.000 0.986 176 T HN 0.487 nan 8.240 nan 0.000 0.523 177 L N 1.101 122.331 121.223 0.013 0.000 2.013 177 L HA -0.122 4.218 4.340 0.000 0.000 0.212 177 L C 2.205 179.087 176.870 0.020 0.000 1.073 177 L CA 2.060 56.900 54.840 0.000 0.000 0.753 177 L CB -1.168 40.890 42.059 -0.002 0.000 0.890 177 L HN 0.927 nan 8.230 nan 0.000 0.432 178 D N -0.643 119.786 120.400 0.049 0.000 2.123 178 D HA -0.235 4.405 4.640 0.000 0.000 0.196 178 D C 1.954 178.350 176.300 0.160 0.000 0.992 178 D CA 1.640 55.708 54.000 0.114 0.000 0.833 178 D CB 0.183 41.088 40.800 0.175 0.000 0.954 178 D HN 0.593 nan 8.370 nan 0.000 0.455 179 E N -0.112 120.066 120.200 -0.035 0.000 2.051 179 E HA -0.184 4.166 4.350 0.000 0.000 0.192 179 E C 2.103 178.857 176.600 0.257 0.000 0.991 179 E CA 0.464 56.803 56.400 -0.101 0.000 0.799 179 E CB -0.085 29.470 29.700 -0.242 0.000 0.748 179 E HN 0.144 nan 8.360 nan 0.000 0.449 180 L N 1.146 122.430 121.223 0.101 0.000 2.017 180 L HA -0.171 4.169 4.340 0.000 0.000 0.208 180 L C 2.039 178.925 176.870 0.027 0.000 1.073 180 L CA 1.569 56.411 54.840 0.005 0.000 0.745 180 L CB -0.369 41.624 42.059 -0.110 0.000 0.894 180 L HN 0.153 nan 8.230 nan 0.000 0.432 181 I N -1.150 119.449 120.570 0.049 0.000 2.151 181 I HA -0.363 3.807 4.170 0.000 0.000 0.243 181 I C 2.388 178.581 176.117 0.126 0.000 1.080 181 I CA 1.911 63.236 61.300 0.041 0.000 1.339 181 I CB -0.418 37.604 38.000 0.036 0.000 1.039 181 I HN 0.359 nan 8.210 nan 0.000 0.409 182 F N 1.537 121.553 119.950 0.110 0.000 2.171 182 F HA -0.199 4.328 4.527 0.000 0.000 0.300 182 F C 2.400 178.326 175.800 0.211 0.000 1.090 182 F CA 1.354 59.463 58.000 0.183 0.000 1.293 182 F CB -0.284 38.904 39.000 0.312 0.000 1.013 182 F HN -0.001 nan 8.300 nan 0.000 0.486 183 A N 0.158 123.115 122.820 0.229 0.000 1.877 183 A HA -0.193 4.127 4.320 0.000 0.000 0.216 183 A C 2.299 179.815 177.584 -0.113 0.000 1.186 183 A CA 2.518 54.576 52.037 0.036 0.000 0.620 183 A CB -1.669 17.298 19.000 -0.054 0.000 0.822 183 A HN 0.535 nan 8.150 nan 0.000 0.443 184 T N -1.197 113.317 114.554 -0.067 0.000 2.720 184 T HA -0.213 4.137 4.350 0.000 0.000 0.268 184 T C 1.800 176.556 174.700 0.092 0.000 1.037 184 T CA 1.792 63.889 62.100 -0.004 0.000 1.144 184 T CB -0.408 68.464 68.868 0.007 0.000 0.864 184 T HN 0.554 nan 8.240 nan 0.000 0.444 185 K N 0.206 120.653 120.400 0.077 0.000 2.057 185 K HA 0.104 4.424 4.320 0.000 0.000 0.206 185 K C 2.571 179.273 176.600 0.170 0.000 1.050 185 K CA 1.172 57.590 56.287 0.219 0.000 0.935 185 K CB -0.220 32.375 32.500 0.158 0.000 0.715 185 K HN 0.253 nan 8.250 nan 0.000 0.439 186 M N 0.560 120.082 119.600 -0.128 0.000 2.132 186 M HA -0.058 4.422 4.480 0.000 0.000 0.263 186 M C 2.464 178.655 176.300 -0.181 0.000 1.065 186 M CA 1.368 56.511 55.300 -0.262 0.000 1.122 186 M CB -1.036 31.320 32.600 -0.406 0.000 1.365 186 M HN 0.162 nan 8.290 nan 0.000 0.411 187 A N -0.536 122.159 122.820 -0.208 0.000 1.940 187 A HA -0.225 4.096 4.320 0.000 0.000 0.219 187 A C 2.013 179.502 177.584 -0.159 0.000 1.176 187 A CA 1.679 53.469 52.037 -0.411 0.000 0.631 187 A CB -1.138 17.274 19.000 -0.981 0.000 0.814 187 A HN 0.689 nan 8.150 nan 0.000 0.446 188 W N 0.788 122.061 121.300 -0.045 0.000 2.407 188 W HA -0.085 4.575 4.660 0.000 0.000 0.305 188 W C 2.289 178.747 176.519 -0.101 0.000 1.196 188 W CA 1.380 58.730 57.345 0.008 0.000 1.311 188 W CB -0.773 28.666 29.460 -0.034 0.000 1.135 188 W HN 0.355 nan 8.180 nan 0.000 0.514 189 R N 0.434 120.873 120.500 -0.101 0.000 2.139 189 R HA -0.201 4.139 4.340 0.000 0.000 0.243 189 R C 1.054 177.195 176.300 -0.266 0.000 1.145 189 R CA 1.856 57.706 56.100 -0.418 0.000 0.976 189 R CB -0.528 29.319 30.300 -0.756 0.000 0.866 189 R HN 0.090 nan 8.270 nan 0.000 0.449 190 N N -0.137 118.467 118.700 -0.160 0.000 2.268 190 N HA 0.089 4.829 4.740 0.000 0.000 0.204 190 N C -0.861 174.597 175.510 -0.086 0.000 1.124 190 N CA 0.401 53.401 53.050 -0.084 0.000 0.838 190 N CB 1.186 39.675 38.487 0.005 0.000 0.994 190 N HN 0.163 nan 8.380 nan 0.000 0.489 191 A N 1.460 124.206 122.820 -0.124 0.000 2.310 191 A HA 0.390 4.710 4.320 0.000 0.000 0.300 191 A C -1.441 176.076 177.584 -0.111 0.000 1.269 191 A CA -1.089 50.815 52.037 -0.222 0.000 0.909 191 A CB 0.689 19.606 19.000 -0.137 0.000 1.144 191 A HN -0.044 nan 8.150 nan 0.000 0.540 192 P HA -0.052 nan 4.420 nan 0.000 0.226 192 P C 1.096 178.339 177.300 -0.096 0.000 1.153 192 P CA 0.956 64.010 63.100 -0.077 0.000 0.777 192 P CB 0.216 31.874 31.700 -0.071 0.000 0.794 193 R N -2.096 118.305 120.500 -0.165 0.000 2.300 193 R HA 0.143 4.483 4.340 0.000 0.000 0.199 193 R C 0.344 176.669 176.300 0.042 0.000 0.920 193 R CA -0.083 55.948 56.100 -0.115 0.000 1.046 193 R CB -0.396 29.593 30.300 -0.519 0.000 0.984 193 R HN 0.177 nan 8.270 nan 0.000 0.493 194 C N 1.087 120.386 119.300 -0.002 0.000 2.394 194 C HA 0.225 4.685 4.460 0.000 0.000 0.362 194 C C 1.797 176.801 174.990 0.024 0.000 1.268 194 C CA -0.825 58.222 59.018 0.050 0.000 1.828 194 C CB -0.417 27.395 27.740 0.120 0.000 2.442 194 C HN 0.436 nan 8.230 nan 0.000 0.549 195 I N 4.721 125.288 120.570 -0.005 0.000 2.876 195 I HA 0.210 4.381 4.170 0.000 0.000 0.264 195 I C 2.007 178.221 176.117 0.161 0.000 1.204 195 I CA 1.524 62.803 61.300 -0.036 0.000 1.485 195 I CB -0.039 37.925 38.000 -0.060 0.000 1.103 195 I HN 0.847 nan 8.210 nan 0.000 0.446 196 G N -0.347 108.526 108.800 0.122 0.000 3.383 196 G HA2 0.011 3.971 3.960 0.000 0.000 0.251 196 G HA3 0.011 3.971 3.960 0.000 0.000 0.251 196 G C 1.322 176.248 174.900 0.043 0.000 1.203 196 G CA -0.330 44.831 45.100 0.101 0.000 0.852 196 G HN 0.231 nan 8.290 nan 0.000 0.531 197 R N -0.234 120.229 120.500 -0.061 0.000 2.355 197 R HA 0.050 4.390 4.340 0.000 0.000 0.219 197 R C 2.089 177.872 176.300 -0.863 0.000 1.107 197 R CA 0.331 56.097 56.100 -0.557 0.000 1.021 197 R CB -0.234 29.759 30.300 -0.512 0.000 0.852 197 R HN 0.498 nan 8.270 nan 0.000 0.475 198 I N 0.568 120.800 120.570 -0.563 0.000 2.454 198 I HA -0.266 3.904 4.170 0.000 0.000 0.254 198 I C 1.262 177.274 176.117 -0.176 0.000 1.156 198 I CA 1.358 62.503 61.300 -0.259 0.000 1.433 198 I CB 0.149 38.139 38.000 -0.018 0.000 1.082 198 I HN 0.208 nan 8.210 nan 0.000 0.432 199 Q N 0.698 120.326 119.800 -0.286 0.000 2.403 199 Q HA -0.110 4.230 4.340 0.000 0.000 0.203 199 Q C 1.601 177.129 176.000 -0.786 0.000 0.932 199 Q CA 0.444 56.068 55.803 -0.297 0.000 0.945 199 Q CB -0.236 28.491 28.738 -0.017 0.000 1.045 199 Q HN 0.794 nan 8.270 nan 0.000 0.511 200 W N 1.249 121.736 121.300 -1.355 0.000 2.292 200 W HA -0.275 4.385 4.660 0.000 0.000 0.304 200 W C 1.321 177.460 176.519 -0.635 0.000 1.228 200 W CA 1.704 58.031 57.345 -1.697 0.000 1.241 200 W CB -1.408 27.332 29.460 -1.201 0.000 1.142 200 W HN 0.176 nan 8.180 nan 0.000 0.520 201 S N 0.397 115.151 115.700 -1.576 0.000 2.489 201 S HA -0.087 4.383 4.470 0.000 0.000 0.228 201 S C 0.835 175.132 174.600 -0.505 0.000 0.995 201 S CA 0.682 58.143 58.200 -1.232 0.000 0.934 201 S CB -0.679 61.652 63.200 -1.449 0.000 0.771 201 S HN 0.224 nan 8.310 nan 0.000 0.522 202 N N 1.322 119.826 118.700 -0.326 0.000 3.083 202 N HA 0.451 5.191 4.740 0.000 0.000 0.260 202 N C -1.225 174.334 175.510 0.083 0.000 1.163 202 N CA -0.511 52.484 53.050 -0.092 0.000 1.060 202 N CB 0.115 38.579 38.487 -0.038 0.000 1.345 202 N HN 0.429 nan 8.380 nan 0.000 0.515 203 L N 1.489 122.739 121.223 0.046 0.000 2.464 203 L HA 0.503 4.843 4.340 0.000 0.000 0.266 203 L C -0.868 175.951 176.870 -0.085 0.000 0.965 203 L CA -0.740 54.131 54.840 0.051 0.000 0.833 203 L CB 1.896 44.052 42.059 0.161 0.000 1.296 203 L HN 0.258 nan 8.230 nan 0.000 0.405 204 Q N 2.938 122.642 119.800 -0.159 0.000 2.288 204 Q HA 0.603 4.943 4.340 0.000 0.000 0.254 204 Q C -1.621 174.044 176.000 -0.558 0.000 0.932 204 Q CA -0.162 55.406 55.803 -0.391 0.000 0.902 204 Q CB 1.496 29.929 28.738 -0.509 0.000 1.203 204 Q HN 0.555 nan 8.270 nan 0.000 0.415 205 V N 5.477 125.031 119.914 -0.600 0.000 2.384 205 V HA 0.432 4.552 4.120 0.000 0.000 0.287 205 V C -0.933 174.769 176.094 -0.653 0.000 1.020 205 V CA -0.611 61.383 62.300 -0.509 0.000 0.850 205 V CB 0.827 32.486 31.823 -0.274 0.000 0.987 205 V HN 0.666 nan 8.190 nan 0.000 0.436 206 F N 2.659 122.459 119.950 -0.250 0.000 2.308 206 F HA 0.358 4.885 4.527 0.000 0.000 0.370 206 F C 0.534 176.157 175.800 -0.294 0.000 1.100 206 F CA -1.202 56.645 58.000 -0.256 0.000 1.108 206 F CB 0.942 39.795 39.000 -0.246 0.000 1.293 206 F HN 0.451 nan 8.300 nan 0.000 0.478 207 D N 3.458 123.808 120.400 -0.083 0.000 2.383 207 D HA 0.285 4.925 4.640 0.000 0.000 0.245 207 D C 0.241 176.413 176.300 -0.212 0.000 1.263 207 D CA 0.246 54.151 54.000 -0.158 0.000 0.936 207 D CB 0.819 41.559 40.800 -0.101 0.000 1.053 207 D HN 0.580 nan 8.370 nan 0.000 0.507 208 A N 4.686 127.259 122.820 -0.412 0.000 2.827 208 A HA 0.172 4.492 4.320 0.000 0.000 0.300 208 A C 1.660 179.037 177.584 -0.345 0.000 1.237 208 A CA -0.450 51.229 52.037 -0.597 0.000 0.964 208 A CB 0.036 18.253 19.000 -1.306 0.000 1.143 208 A HN 0.517 nan 8.150 nan 0.000 0.554 209 R N 0.058 120.439 120.500 -0.197 0.000 2.189 209 R HA -0.064 4.276 4.340 0.000 0.000 0.223 209 R C 0.955 177.219 176.300 -0.059 0.000 1.092 209 R CA 1.041 57.084 56.100 -0.095 0.000 0.989 209 R CB 0.002 30.289 30.300 -0.021 0.000 0.876 209 R HN 0.457 nan 8.270 nan 0.000 0.457 210 N N 0.520 119.198 118.700 -0.037 0.000 2.409 210 N HA -0.089 4.651 4.740 0.000 0.000 0.179 210 N C 0.813 176.352 175.510 0.049 0.000 1.032 210 N CA 0.323 53.386 53.050 0.021 0.000 0.898 210 N CB -0.354 38.159 38.487 0.044 0.000 0.971 210 N HN 0.136 nan 8.380 nan 0.000 0.441 211 C N 1.645 120.962 119.300 0.028 0.000 2.674 211 C HA 0.083 4.543 4.460 0.000 0.000 0.405 211 C C 1.664 176.741 174.990 0.145 0.000 1.285 211 C CA 0.800 59.883 59.018 0.108 0.000 1.845 211 C CB -0.178 27.637 27.740 0.125 0.000 2.689 211 C HN 0.577 nan 8.230 nan 0.000 0.643 212 S N 0.952 116.811 115.700 0.266 0.000 2.760 212 S HA 0.244 4.714 4.470 0.000 0.000 0.263 212 S C -0.125 174.642 174.600 0.279 0.000 1.007 212 S CA 0.334 58.753 58.200 0.364 0.000 1.358 212 S CB -0.318 63.009 63.200 0.212 0.000 1.228 212 S HN 1.267 nan 8.310 nan 0.000 0.684 213 T N -2.061 112.644 114.554 0.252 0.000 2.843 213 T HA 0.840 5.190 4.350 0.000 0.000 0.302 213 T C 1.095 175.879 174.700 0.141 0.000 1.232 213 T CA -0.206 61.985 62.100 0.151 0.000 1.009 213 T CB 1.185 70.121 68.868 0.114 0.000 1.254 213 T HN 0.300 nan 8.240 nan 0.000 0.504 214 A N 0.502 123.386 122.820 0.107 0.000 1.877 214 A HA -0.057 4.264 4.320 0.000 0.000 0.216 214 A C 2.254 179.834 177.584 -0.007 0.000 1.186 214 A CA 2.140 54.236 52.037 0.098 0.000 0.620 214 A CB -1.209 17.946 19.000 0.258 0.000 0.822 214 A HN 0.899 nan 8.150 nan 0.000 0.443 215 Q N 0.143 120.031 119.800 0.146 0.000 2.226 215 Q HA -0.168 4.172 4.340 0.000 0.000 0.204 215 Q C 1.702 177.733 176.000 0.052 0.000 0.975 215 Q CA 2.178 58.056 55.803 0.125 0.000 0.866 215 Q CB -0.314 28.561 28.738 0.227 0.000 0.915 215 Q HN 0.767 nan 8.270 nan 0.000 0.440 216 E N -0.661 119.583 120.200 0.073 0.000 2.076 216 E HA -0.110 4.240 4.350 0.000 0.000 0.190 216 E C 1.873 178.564 176.600 0.151 0.000 0.979 216 E CA 0.961 57.416 56.400 0.092 0.000 0.807 216 E CB -0.111 29.688 29.700 0.166 0.000 0.761 216 E HN 0.428 nan 8.360 nan 0.000 0.454 217 M N 0.350 120.022 119.600 0.120 0.000 2.086 217 M HA -0.181 4.299 4.480 0.000 0.000 0.261 217 M C 2.073 178.403 176.300 0.050 0.000 1.067 217 M CA 1.406 56.751 55.300 0.075 0.000 1.116 217 M CB -0.132 32.357 32.600 -0.186 0.000 1.348 217 M HN 0.119 nan 8.290 nan 0.000 0.407 218 F N 0.852 120.584 119.950 -0.364 0.000 2.202 218 F HA -0.233 4.294 4.527 0.000 0.000 0.301 218 F C 2.042 177.707 175.800 -0.225 0.000 1.082 218 F CA 1.813 59.525 58.000 -0.481 0.000 1.313 218 F CB -0.431 37.881 39.000 -1.147 0.000 1.024 218 F HN 0.271 nan 8.300 nan 0.000 0.495 219 Q N -1.286 118.335 119.800 -0.298 0.000 2.187 219 Q HA -0.145 4.195 4.340 0.000 0.000 0.199 219 Q C 2.126 177.932 176.000 -0.323 0.000 0.957 219 Q CA 1.167 56.738 55.803 -0.386 0.000 0.857 219 Q CB -0.242 28.327 28.738 -0.282 0.000 0.929 219 Q HN 0.504 nan 8.270 nan 0.000 0.453 220 H N -0.044 118.969 119.070 -0.095 0.000 2.395 220 H HA -0.020 4.536 4.556 0.000 0.000 0.299 220 H C 2.050 177.332 175.328 -0.077 0.000 1.070 220 H CA 1.078 57.086 56.048 -0.068 0.000 1.356 220 H CB 0.175 29.997 29.762 0.099 0.000 1.401 220 H HN 0.247 nan 8.280 nan 0.000 0.524 221 I N -0.101 120.532 120.570 0.105 0.000 2.226 221 I HA -0.279 3.891 4.170 0.000 0.000 0.245 221 I C 2.623 178.700 176.117 -0.067 0.000 1.100 221 I CA 0.732 62.055 61.300 0.039 0.000 1.374 221 I CB -0.236 37.791 38.000 0.044 0.000 1.057 221 I HN 0.206 nan 8.210 nan 0.000 0.413 222 C N 0.284 119.445 119.300 -0.231 0.000 2.425 222 C HA -0.136 4.324 4.460 0.000 0.000 0.277 222 C C 2.946 177.839 174.990 -0.163 0.000 1.280 222 C CA 0.624 59.491 59.018 -0.251 0.000 1.744 222 C CB -1.131 26.340 27.740 -0.448 0.000 1.989 222 C HN 0.436 nan 8.230 nan 0.000 0.491 223 R N 0.016 120.390 120.500 -0.210 0.000 2.120 223 R HA -0.128 4.212 4.340 0.000 0.000 0.234 223 R C 1.964 178.121 176.300 -0.238 0.000 1.123 223 R CA 1.732 57.678 56.100 -0.258 0.000 0.975 223 R CB -0.698 29.366 30.300 -0.392 0.000 0.866 223 R HN 0.774 nan 8.270 nan 0.000 0.446 224 H N -0.024 118.885 119.070 -0.269 0.000 2.261 224 H HA -0.004 4.552 4.556 0.000 0.000 0.301 224 H C 2.265 177.630 175.328 0.062 0.000 1.067 224 H CA 2.193 58.183 56.048 -0.096 0.000 1.297 224 H CB -0.132 29.622 29.762 -0.015 0.000 1.377 224 H HN 0.066 nan 8.280 nan 0.000 0.492 225 I N 0.202 120.932 120.570 0.268 0.000 2.113 225 I HA -0.315 3.855 4.170 0.000 0.000 0.242 225 I C 2.489 178.686 176.117 0.134 0.000 1.064 225 I CA 1.269 62.676 61.300 0.179 0.000 1.320 225 I CB -0.360 37.674 38.000 0.057 0.000 1.028 225 I HN 0.350 nan 8.210 nan 0.000 0.406 226 L N 0.275 121.541 121.223 0.072 0.000 2.012 226 L HA -0.284 4.056 4.340 0.000 0.000 0.210 226 L C 2.488 179.405 176.870 0.079 0.000 1.073 226 L CA 1.979 56.847 54.840 0.047 0.000 0.748 226 L CB -1.010 41.050 42.059 0.003 0.000 0.891 226 L HN 0.294 nan 8.230 nan 0.000 0.431 227 Y N -0.030 120.275 120.300 0.009 0.000 2.163 227 Y HA -0.128 4.422 4.550 0.000 0.000 0.288 227 Y C 2.369 178.318 175.900 0.081 0.000 1.136 227 Y CA 1.939 60.074 58.100 0.059 0.000 1.147 227 Y CB -0.533 38.014 38.460 0.144 0.000 0.987 227 Y HN 0.225 nan 8.280 nan 0.000 0.509 228 A N -0.591 122.344 122.820 0.191 0.000 1.933 228 A HA -0.166 4.154 4.320 0.000 0.000 0.218 228 A C 2.201 179.816 177.584 0.050 0.000 1.175 228 A CA 2.219 54.333 52.037 0.127 0.000 0.628 228 A CB -1.324 17.844 19.000 0.279 0.000 0.814 228 A HN 0.520 nan 8.150 nan 0.000 0.444 229 T N -0.216 114.378 114.554 0.066 0.000 2.777 229 T HA -0.118 4.232 4.350 0.000 0.000 0.266 229 T C 1.116 175.817 174.700 0.002 0.000 1.040 229 T CA 1.278 63.413 62.100 0.058 0.000 1.141 229 T CB -0.432 68.475 68.868 0.064 0.000 0.868 229 T HN 0.639 nan 8.240 nan 0.000 0.444 230 N N 1.508 120.175 118.700 -0.054 0.000 2.708 230 N HA -0.254 4.486 4.740 0.000 0.000 0.251 230 N C -0.096 175.386 175.510 -0.046 0.000 1.017 230 N CA 0.909 53.906 53.050 -0.087 0.000 0.742 230 N CB -1.806 36.584 38.487 -0.162 0.000 0.943 230 N HN 0.416 nan 8.380 nan 0.000 0.539 231 N N -1.434 117.252 118.700 -0.023 0.000 2.735 231 N HA -0.201 4.539 4.740 0.000 0.000 0.248 231 N C 1.013 176.513 175.510 -0.017 0.000 1.083 231 N CA 2.368 55.408 53.050 -0.018 0.000 0.703 231 N CB -1.256 37.218 38.487 -0.023 0.000 1.005 231 N HN 1.188 nan 8.380 nan 0.000 0.550 232 G N -0.870 107.929 108.800 -0.002 0.000 2.284 232 G HA2 -0.351 3.609 3.960 0.000 0.000 0.230 232 G HA3 -0.351 3.609 3.960 0.000 0.000 0.230 232 G C 0.082 174.985 174.900 0.006 0.000 1.021 232 G CA 0.232 45.335 45.100 0.005 0.000 0.619 232 G HN 0.730 nan 8.290 nan 0.000 0.510 233 N N 2.194 120.881 118.700 -0.021 0.000 2.968 233 N HA 0.305 5.045 4.740 0.000 0.000 0.271 233 N C 0.873 176.370 175.510 -0.021 0.000 1.174 233 N CA -0.514 52.510 53.050 -0.043 0.000 1.096 233 N CB -0.481 37.970 38.487 -0.060 0.000 1.403 233 N HN 0.364 nan 8.380 nan 0.000 0.522 234 I N 1.906 122.498 120.570 0.037 0.000 2.845 234 I HA -0.094 4.076 4.170 0.000 0.000 0.296 234 I C 0.853 177.087 176.117 0.195 0.000 1.216 234 I CA 0.781 62.166 61.300 0.141 0.000 1.438 234 I CB -0.187 37.984 38.000 0.285 0.000 1.342 234 I HN 0.296 nan 8.210 nan 0.000 0.577 235 R N 3.734 124.323 120.500 0.149 0.000 2.561 235 R HA 0.381 4.721 4.340 0.000 0.000 0.297 235 R C -0.591 175.813 176.300 0.173 0.000 0.969 235 R CA -0.651 55.537 56.100 0.147 0.000 0.879 235 R CB 2.043 32.284 30.300 -0.098 0.000 1.178 235 R HN 0.549 nan 8.270 nan 0.000 0.445 236 S N 1.513 117.301 115.700 0.146 0.000 2.528 236 S HA 0.566 5.036 4.470 0.000 0.000 0.277 236 S C -0.406 174.199 174.600 0.008 0.000 1.297 236 S CA -0.285 57.906 58.200 -0.015 0.000 1.052 236 S CB 1.317 64.410 63.200 -0.178 0.000 0.917 236 S HN 0.694 nan 8.310 nan 0.000 0.492 237 A N 2.965 125.763 122.820 -0.038 0.000 2.609 237 A HA 0.854 5.174 4.320 0.000 0.000 0.291 237 A C -1.374 176.184 177.584 -0.043 0.000 1.096 237 A CA -0.690 51.252 52.037 -0.159 0.000 0.684 237 A CB 1.181 20.043 19.000 -0.231 0.000 1.282 237 A HN 0.809 nan 8.150 nan 0.000 0.412 238 I N 0.106 120.635 120.570 -0.069 0.000 2.692 238 I HA 0.607 4.777 4.170 0.000 0.000 0.293 238 I C -1.253 174.936 176.117 0.120 0.000 1.200 238 I CA -0.104 61.301 61.300 0.175 0.000 1.036 238 I CB 2.402 40.445 38.000 0.072 0.000 1.258 238 I HN 0.561 nan 8.210 nan 0.000 0.421 239 T N 6.454 121.127 114.554 0.198 0.000 2.788 239 T HA 0.392 4.742 4.350 0.000 0.000 0.296 239 T C -0.545 173.933 174.700 -0.370 0.000 1.009 239 T CA -0.297 61.767 62.100 -0.061 0.000 0.949 239 T CB 1.159 69.999 68.868 -0.047 0.000 0.946 239 T HN 0.276 nan 8.240 nan 0.000 0.453 240 V N 5.423 125.088 119.914 -0.415 0.000 2.406 240 V HA 0.427 4.547 4.120 0.000 0.000 0.272 240 V C -0.221 175.551 176.094 -0.538 0.000 1.043 240 V CA -0.489 61.563 62.300 -0.414 0.000 0.915 240 V CB -0.030 31.529 31.823 -0.442 0.000 0.988 240 V HN 0.739 nan 8.190 nan 0.000 0.466 241 F N 5.166 125.044 119.950 -0.121 0.000 2.450 241 F HA 0.491 5.018 4.527 0.000 0.000 0.328 241 F C -1.841 173.898 175.800 -0.100 0.000 1.068 241 F CA -2.655 55.205 58.000 -0.233 0.000 1.007 241 F CB 0.977 39.813 39.000 -0.273 0.000 1.251 241 F HN 0.320 nan 8.300 nan 0.000 0.492 242 P HA -0.078 nan 4.420 nan 0.000 0.261 242 P C -1.085 176.319 177.300 0.175 0.000 1.173 242 P CA 0.079 63.185 63.100 0.010 0.000 0.760 242 P CB 0.158 31.770 31.700 -0.147 0.000 0.783 243 Q N 3.447 123.275 119.800 0.047 0.000 2.428 243 Q HA 0.017 4.357 4.340 0.000 0.000 0.276 243 Q C 0.199 176.131 176.000 -0.114 0.000 1.059 243 Q CA -0.387 55.186 55.803 -0.384 0.000 0.923 243 Q CB 0.654 28.876 28.738 -0.860 0.000 1.283 243 Q HN 0.370 nan 8.270 nan 0.000 0.447 244 R N 1.732 122.154 120.500 -0.129 0.000 2.449 244 R HA 0.003 4.343 4.340 0.000 0.000 0.296 244 R C 0.140 176.413 176.300 -0.045 0.000 1.047 244 R CA 0.687 56.775 56.100 -0.021 0.000 1.018 244 R CB 0.508 30.790 30.300 -0.032 0.000 0.962 244 R HN 0.938 nan 8.270 nan 0.000 0.428 245 S N 3.117 118.827 115.700 0.016 0.000 2.460 245 S HA -0.079 4.391 4.470 0.000 0.000 0.185 245 S C 1.079 175.673 174.600 -0.010 0.000 0.908 245 S CA 0.412 58.621 58.200 0.015 0.000 0.894 245 S CB -0.203 63.042 63.200 0.076 0.000 0.855 245 S HN 0.828 nan 8.310 nan 0.000 0.574 246 D N 0.314 120.694 120.400 -0.032 0.000 2.346 246 D HA 0.250 4.890 4.640 0.000 0.000 0.206 246 D C 1.529 177.765 176.300 -0.106 0.000 1.001 246 D CA 1.071 55.019 54.000 -0.086 0.000 0.871 246 D CB -0.305 40.403 40.800 -0.152 0.000 0.943 246 D HN 0.826 nan 8.370 nan 0.000 0.518 247 G N 0.816 109.558 108.800 -0.096 0.000 2.232 247 G HA2 -0.292 3.668 3.960 0.000 0.000 0.226 247 G HA3 -0.292 3.668 3.960 0.000 0.000 0.226 247 G C 1.083 175.925 174.900 -0.097 0.000 0.996 247 G CA 0.250 45.307 45.100 -0.073 0.000 0.626 247 G HN 0.422 nan 8.290 nan 0.000 0.509 248 K N 0.121 120.389 120.400 -0.221 0.000 2.374 248 K HA 0.211 4.531 4.320 0.000 0.000 0.196 248 K C 0.285 176.806 176.600 -0.131 0.000 1.023 248 K CA 0.164 56.317 56.287 -0.224 0.000 1.103 248 K CB 0.231 32.542 32.500 -0.315 0.000 0.848 248 K HN 0.445 nan 8.250 nan 0.000 0.528 249 H N 0.797 119.855 119.070 -0.020 0.000 2.500 249 H HA 0.230 4.786 4.556 0.000 0.000 0.243 249 H C -0.913 174.384 175.328 -0.051 0.000 1.318 249 H CA -0.905 55.112 56.048 -0.051 0.000 1.077 249 H CB -0.206 29.543 29.762 -0.021 0.000 1.748 249 H HN -0.013 nan 8.280 nan 0.000 0.556 250 D N 0.628 121.064 120.400 0.061 0.000 2.308 250 D HA 0.088 4.729 4.640 0.000 0.000 0.251 250 D C 0.069 176.376 176.300 0.011 0.000 1.127 250 D CA -0.011 54.037 54.000 0.080 0.000 0.876 250 D CB 0.737 41.588 40.800 0.085 0.000 1.176 250 D HN 0.088 nan 8.370 nan 0.000 0.446 251 F N 2.873 122.870 119.950 0.078 0.000 2.420 251 F HA 0.337 4.864 4.527 0.000 0.000 0.352 251 F C 1.025 176.857 175.800 0.053 0.000 1.108 251 F CA -0.118 57.900 58.000 0.030 0.000 1.162 251 F CB 0.756 39.768 39.000 0.019 0.000 1.118 251 F HN -0.131 nan 8.300 nan 0.000 0.510 252 R N 4.043 124.656 120.500 0.189 0.000 2.548 252 R HA 0.406 4.746 4.340 0.000 0.000 0.280 252 R C -1.723 174.735 176.300 0.263 0.000 1.061 252 R CA -1.070 55.160 56.100 0.217 0.000 0.915 252 R CB 2.050 32.488 30.300 0.229 0.000 1.210 252 R HN 0.505 nan 8.270 nan 0.000 0.442 253 L N 2.321 123.676 121.223 0.220 0.000 2.265 253 L HA 0.313 4.653 4.340 0.000 0.000 0.288 253 L C 0.810 177.908 176.870 0.379 0.000 1.058 253 L CA -0.078 54.899 54.840 0.228 0.000 0.809 253 L CB 0.577 42.701 42.059 0.108 0.000 1.179 253 L HN 0.570 nan 8.230 nan 0.000 0.429 254 W N 0.650 122.023 121.300 0.122 0.000 2.584 254 W HA 0.034 4.695 4.660 0.000 0.000 0.264 254 W C 0.768 177.389 176.519 0.170 0.000 1.264 254 W CA -0.418 57.093 57.345 0.278 0.000 1.306 254 W CB -0.883 28.829 29.460 0.419 0.000 1.110 254 W HN 0.481 nan 8.180 nan 0.000 0.606 255 N N -0.107 118.704 118.700 0.185 0.000 2.415 255 N HA 0.007 4.747 4.740 0.000 0.000 0.248 255 N C 1.445 176.805 175.510 -0.250 0.000 1.271 255 N CA 0.892 53.764 53.050 -0.296 0.000 0.913 255 N CB 0.570 38.979 38.487 -0.130 0.000 1.129 255 N HN -0.112 nan 8.380 nan 0.000 0.444 256 S N 0.026 115.516 115.700 -0.350 0.000 2.388 256 S HA 0.025 4.496 4.470 0.000 0.000 0.223 256 S C 0.234 174.745 174.600 -0.148 0.000 1.034 256 S CA 0.547 58.639 58.200 -0.180 0.000 0.963 256 S CB 0.012 63.127 63.200 -0.142 0.000 0.827 256 S HN 0.653 nan 8.310 nan 0.000 0.481 257 Q N -0.607 119.094 119.800 -0.164 0.000 2.456 257 Q HA 0.559 4.899 4.340 0.000 0.000 0.283 257 Q C 0.341 176.234 176.000 -0.179 0.000 1.084 257 Q CA -0.600 55.113 55.803 -0.151 0.000 0.801 257 Q CB 1.970 30.667 28.738 -0.068 0.000 1.434 257 Q HN 0.090 nan 8.270 nan 0.000 0.419 258 L N 0.306 121.420 121.223 -0.181 0.000 1.970 258 L HA -0.065 4.275 4.340 0.000 0.000 0.212 258 L C 0.705 177.443 176.870 -0.220 0.000 1.071 258 L CA 1.165 55.904 54.840 -0.168 0.000 0.751 258 L CB -0.125 41.834 42.059 -0.166 0.000 0.889 258 L HN 0.515 nan 8.230 nan 0.000 0.432 259 I N -0.157 120.208 120.570 -0.342 0.000 2.440 259 I HA 0.397 4.568 4.170 0.000 0.000 0.294 259 I C -0.128 175.410 176.117 -0.965 0.000 0.995 259 I CA -0.173 60.739 61.300 -0.646 0.000 1.306 259 I CB 1.322 38.809 38.000 -0.854 0.000 1.407 259 I HN 0.188 nan 8.210 nan 0.000 0.501 260 R N 4.168 124.115 120.500 -0.922 0.000 3.170 260 R HA 0.296 4.636 4.340 0.000 0.000 0.257 260 R C -1.871 174.223 176.300 -0.344 0.000 1.139 260 R CA -0.502 55.222 56.100 -0.626 0.000 1.158 260 R CB 0.433 30.574 30.300 -0.265 0.000 1.269 260 R HN 0.309 nan 8.270 nan 0.000 0.459 261 Y N 2.006 122.282 120.300 -0.041 0.000 2.379 261 Y HA 0.535 5.085 4.550 0.000 0.000 0.337 261 Y C 1.145 177.074 175.900 0.048 0.000 1.238 261 Y CA 0.141 58.284 58.100 0.073 0.000 1.405 261 Y CB 0.770 39.384 38.460 0.257 0.000 1.310 261 Y HN 0.712 nan 8.280 nan 0.000 0.569 262 A N 1.147 124.082 122.820 0.191 0.000 2.286 262 A HA 0.761 5.081 4.320 0.000 0.000 0.286 262 A C 0.330 177.741 177.584 -0.288 0.000 1.097 262 A CA 0.096 52.081 52.037 -0.086 0.000 0.821 262 A CB 0.209 19.143 19.000 -0.110 0.000 1.076 262 A HN 0.903 nan 8.150 nan 0.000 0.490 263 G N -0.253 108.260 108.800 -0.478 0.000 2.687 263 G HA2 0.584 4.544 3.960 0.000 0.000 0.301 263 G HA3 0.584 4.544 3.960 0.000 0.000 0.301 263 G C -1.432 173.162 174.900 -0.510 0.000 1.416 263 G CA -0.305 44.535 45.100 -0.433 0.000 1.005 263 G HN 0.538 nan 8.290 nan 0.000 0.509 264 Y N 0.626 120.966 120.300 0.067 0.000 2.393 264 Y HA 0.422 4.972 4.550 0.000 0.000 0.341 264 Y C 0.623 176.573 175.900 0.084 0.000 0.988 264 Y CA -1.102 57.056 58.100 0.096 0.000 1.078 264 Y CB 2.397 40.959 38.460 0.170 0.000 1.203 264 Y HN 0.321 nan 8.280 nan 0.000 0.453 265 Q N 4.245 124.180 119.800 0.225 0.000 3.254 265 Q HA 0.151 4.491 4.340 0.000 0.000 0.315 265 Q C -0.242 175.841 176.000 0.138 0.000 1.405 265 Q CA -0.242 55.644 55.803 0.139 0.000 0.966 265 Q CB -0.052 28.747 28.738 0.101 0.000 1.706 265 Q HN 0.698 nan 8.270 nan 0.000 0.525 266 M N 0.990 120.680 119.600 0.150 0.000 2.148 266 M HA -0.171 4.309 4.480 0.000 0.000 0.312 266 M C -1.236 175.087 176.300 0.038 0.000 0.932 266 M CA -0.446 54.909 55.300 0.092 0.000 0.978 266 M CB -0.758 31.883 32.600 0.069 0.000 1.454 266 M HN 0.119 nan 8.290 nan 0.000 0.431 267 P HA -0.164 nan 4.420 nan 0.000 0.215 267 P C 0.468 177.761 177.300 -0.011 0.000 1.157 267 P CA 1.531 64.618 63.100 -0.022 0.000 0.874 267 P CB -0.131 31.532 31.700 -0.062 0.000 0.790 268 D N -1.553 118.839 120.400 -0.013 0.000 2.355 268 D HA -0.008 4.632 4.640 0.000 0.000 0.253 268 D C 1.406 177.708 176.300 0.004 0.000 1.187 268 D CA 0.951 54.946 54.000 -0.008 0.000 0.900 268 D CB -0.840 39.953 40.800 -0.013 0.000 0.915 268 D HN 0.288 nan 8.370 nan 0.000 0.516 269 G N 0.942 109.749 108.800 0.012 0.000 2.396 269 G HA2 -0.360 3.600 3.960 0.000 0.000 0.242 269 G HA3 -0.360 3.600 3.960 0.000 0.000 0.242 269 G C 0.720 175.636 174.900 0.026 0.000 1.069 269 G CA 0.713 45.824 45.100 0.019 0.000 0.633 269 G HN 0.751 nan 8.290 nan 0.000 0.517 270 T N 0.426 114.994 114.554 0.025 0.000 2.802 270 T HA 0.589 4.939 4.350 0.000 0.000 0.305 270 T C 0.455 175.181 174.700 0.043 0.000 1.053 270 T CA -0.018 62.100 62.100 0.029 0.000 1.058 270 T CB 1.318 70.199 68.868 0.022 0.000 0.988 270 T HN 0.589 nan 8.240 nan 0.000 0.539 271 I N 1.216 121.809 120.570 0.038 0.000 2.493 271 I HA 0.515 4.685 4.170 0.000 0.000 0.298 271 I C 0.394 176.530 176.117 0.033 0.000 0.998 271 I CA -0.789 60.536 61.300 0.043 0.000 1.137 271 I CB 1.534 39.545 38.000 0.018 0.000 1.310 271 I HN 0.797 nan 8.210 nan 0.000 0.445 272 R N 2.701 123.242 120.500 0.069 0.000 2.621 272 R HA 0.631 4.971 4.340 0.000 0.000 0.292 272 R C 0.188 176.487 176.300 -0.002 0.000 0.969 272 R CA 0.318 56.453 56.100 0.059 0.000 0.887 272 R CB 2.016 32.412 30.300 0.160 0.000 1.180 272 R HN 0.942 nan 8.270 nan 0.000 0.450 273 G N 2.815 111.536 108.800 -0.131 0.000 2.496 273 G HA2 -0.265 3.695 3.960 0.000 0.000 0.243 273 G HA3 -0.265 3.695 3.960 0.000 0.000 0.243 273 G C -1.069 173.492 174.900 -0.565 0.000 1.176 273 G CA 0.085 45.054 45.100 -0.217 0.000 0.940 273 G HN 0.617 nan 8.290 nan 0.000 0.573 274 D N 1.863 122.112 120.400 -0.252 0.000 2.380 274 D HA 0.608 5.248 4.640 0.000 0.000 0.230 274 D C 1.407 177.656 176.300 -0.085 0.000 1.154 274 D CA 0.702 54.604 54.000 -0.163 0.000 0.859 274 D CB 0.781 41.766 40.800 0.308 0.000 1.045 274 D HN 0.933 nan 8.370 nan 0.000 0.495 275 A N 3.553 126.307 122.820 -0.110 0.000 2.178 275 A HA -0.011 4.309 4.320 0.000 0.000 0.218 275 A C 1.960 179.560 177.584 0.027 0.000 1.157 275 A CA 1.480 53.498 52.037 -0.032 0.000 0.689 275 A CB -0.113 18.875 19.000 -0.021 0.000 0.787 275 A HN 0.591 nan 8.150 nan 0.000 0.465 276 A N -0.308 122.552 122.820 0.067 0.000 1.970 276 A HA 0.020 4.340 4.320 0.000 0.000 0.216 276 A C 2.055 179.691 177.584 0.086 0.000 1.170 276 A CA 1.812 53.904 52.037 0.091 0.000 0.645 276 A CB -0.814 18.264 19.000 0.131 0.000 0.816 276 A HN 0.748 nan 8.150 nan 0.000 0.447 277 T N -2.482 112.119 114.554 0.079 0.000 3.273 277 T HA 0.371 4.721 4.350 0.000 0.000 0.254 277 T C 1.295 176.020 174.700 0.043 0.000 1.002 277 T CA -0.081 62.066 62.100 0.077 0.000 0.913 277 T CB -0.246 68.671 68.868 0.081 0.000 1.056 277 T HN 0.246 nan 8.240 nan 0.000 0.576 278 L N 0.309 121.547 121.223 0.025 0.000 2.012 278 L HA -0.088 4.253 4.340 0.000 0.000 0.210 278 L C 2.844 179.722 176.870 0.013 0.000 1.073 278 L CA 1.846 56.688 54.840 0.003 0.000 0.748 278 L CB -0.251 41.822 42.059 0.023 0.000 0.891 278 L HN 0.425 nan 8.230 nan 0.000 0.431 279 E N -0.594 119.629 120.200 0.038 0.000 2.028 279 E HA -0.284 4.067 4.350 0.000 0.000 0.191 279 E C 2.022 178.588 176.600 -0.057 0.000 0.988 279 E CA 1.430 57.839 56.400 0.015 0.000 0.799 279 E CB -0.188 29.552 29.700 0.068 0.000 0.755 279 E HN 0.366 nan 8.360 nan 0.000 0.447 280 F N 1.047 120.871 119.950 -0.210 0.000 2.216 280 F HA -0.196 4.331 4.527 0.000 0.000 0.300 280 F C 2.218 177.876 175.800 -0.237 0.000 1.085 280 F CA 1.635 59.441 58.000 -0.323 0.000 1.326 280 F CB -0.389 38.460 39.000 -0.250 0.000 1.027 280 F HN -0.004 nan 8.300 nan 0.000 0.497 281 T N -0.228 114.267 114.554 -0.100 0.000 2.708 281 T HA -0.278 4.072 4.350 0.000 0.000 0.266 281 T C 1.759 176.380 174.700 -0.131 0.000 1.037 281 T CA 1.677 63.681 62.100 -0.161 0.000 1.146 281 T CB -0.342 68.446 68.868 -0.134 0.000 0.865 281 T HN 0.262 nan 8.240 nan 0.000 0.435 282 Q N 0.707 120.453 119.800 -0.090 0.000 2.061 282 Q HA -0.099 4.241 4.340 0.000 0.000 0.204 282 Q C 2.120 178.044 176.000 -0.128 0.000 0.984 282 Q CA 1.390 57.162 55.803 -0.051 0.000 0.846 282 Q CB -0.841 27.874 28.738 -0.038 0.000 0.902 282 Q HN 0.412 nan 8.270 nan 0.000 0.421 283 L N -0.301 120.760 121.223 -0.270 0.000 2.013 283 L HA -0.228 4.112 4.340 0.000 0.000 0.212 283 L C 2.267 178.960 176.870 -0.295 0.000 1.073 283 L CA 1.989 56.640 54.840 -0.315 0.000 0.753 283 L CB -1.026 40.715 42.059 -0.530 0.000 0.890 283 L HN 0.439 nan 8.230 nan 0.000 0.432 284 C N -0.670 118.368 119.300 -0.437 0.000 2.413 284 C HA -0.152 4.308 4.460 0.000 0.000 0.277 284 C C 2.749 177.747 174.990 0.012 0.000 1.265 284 C CA 0.867 59.688 59.018 -0.329 0.000 1.752 284 C CB -0.945 26.439 27.740 -0.593 0.000 1.998 284 C HN 0.577 nan 8.230 nan 0.000 0.489 285 I N 0.854 121.478 120.570 0.091 0.000 2.252 285 I HA -0.175 3.995 4.170 0.000 0.000 0.245 285 I C 2.103 178.248 176.117 0.047 0.000 1.102 285 I CA 1.495 62.882 61.300 0.145 0.000 1.385 285 I CB -0.501 37.576 38.000 0.129 0.000 1.064 285 I HN 0.324 nan 8.210 nan 0.000 0.414 286 D N 0.959 121.355 120.400 -0.007 0.000 2.097 286 D HA -0.119 4.521 4.640 0.000 0.000 0.195 286 D C 1.878 178.165 176.300 -0.021 0.000 0.989 286 D CA 1.236 55.220 54.000 -0.027 0.000 0.827 286 D CB -0.268 40.499 40.800 -0.056 0.000 0.966 286 D HN 0.283 nan 8.370 nan 0.000 0.456 287 L N 0.146 121.355 121.223 -0.023 0.000 2.713 287 L HA 0.193 4.533 4.340 0.000 0.000 0.245 287 L C 0.755 177.616 176.870 -0.016 0.000 1.169 287 L CA -0.005 54.821 54.840 -0.022 0.000 0.962 287 L CB -0.921 41.102 42.059 -0.060 0.000 1.161 287 L HN 0.059 nan 8.230 nan 0.000 0.427 288 G N 0.119 108.925 108.800 0.010 0.000 2.473 288 G HA2 -0.278 3.682 3.960 0.000 0.000 0.289 288 G HA3 -0.278 3.682 3.960 0.000 0.000 0.289 288 G C -0.878 174.067 174.900 0.076 0.000 1.084 288 G CA -0.285 44.824 45.100 0.016 0.000 1.215 288 G HN 0.461 nan 8.290 nan 0.000 0.527 289 W N 2.487 123.728 121.300 -0.099 0.000 2.702 289 W HA 0.709 5.369 4.660 0.000 0.000 0.331 289 W C -0.233 176.241 176.519 -0.075 0.000 1.049 289 W CA -1.759 55.529 57.345 -0.095 0.000 1.230 289 W CB 1.226 30.622 29.460 -0.107 0.000 1.408 289 W HN 0.045 nan 8.180 nan 0.000 0.492 290 K N 7.122 127.028 120.400 -0.823 0.000 2.262 290 K HA 0.187 4.507 4.320 0.000 0.000 0.288 290 K C -2.317 173.515 176.600 -1.280 0.000 1.090 290 K CA -1.584 54.235 56.287 -0.779 0.000 0.918 290 K CB 0.479 32.679 32.500 -0.501 0.000 1.139 290 K HN 0.273 nan 8.250 nan 0.000 0.462 291 P HA 0.185 nan 4.420 nan 0.000 0.276 291 P C -0.056 176.760 177.300 -0.808 0.000 1.264 291 P CA -0.174 62.299 63.100 -1.046 0.000 0.769 291 P CB 0.647 31.812 31.700 -0.892 0.000 0.840 292 R N 2.149 122.330 120.500 -0.533 0.000 2.319 292 R HA 0.044 4.385 4.340 0.000 0.000 0.204 292 R C -0.058 176.165 176.300 -0.129 0.000 0.954 292 R CA -0.246 55.717 56.100 -0.229 0.000 1.066 292 R CB -0.683 29.566 30.300 -0.086 0.000 0.991 292 R HN 0.467 nan 8.270 nan 0.000 0.486 293 Y N -0.227 119.823 120.300 -0.415 0.000 2.984 293 Y HA -0.290 4.260 4.550 0.000 0.000 0.193 293 Y C 0.748 176.578 175.900 -0.117 0.000 1.413 293 Y CA 0.640 58.395 58.100 -0.575 0.000 0.832 293 Y CB -1.529 36.638 38.460 -0.488 0.000 1.314 293 Y HN 0.253 nan 8.280 nan 0.000 0.386 294 G N 0.154 109.097 108.800 0.239 0.000 2.733 294 G HA2 0.592 4.552 3.960 0.000 0.000 0.288 294 G HA3 0.592 4.552 3.960 0.000 0.000 0.288 294 G C 0.230 175.217 174.900 0.145 0.000 1.373 294 G CA -1.121 44.080 45.100 0.168 0.000 0.895 294 G HN 0.242 nan 8.290 nan 0.000 0.479 295 R N -1.244 119.209 120.500 -0.077 0.000 2.153 295 R HA 0.106 4.446 4.340 0.000 0.000 0.218 295 R C -0.125 175.827 176.300 -0.581 0.000 1.072 295 R CA 1.004 56.886 56.100 -0.362 0.000 0.990 295 R CB -0.028 29.887 30.300 -0.641 0.000 0.889 295 R HN 0.321 nan 8.270 nan 0.000 0.452 296 F N 0.763 120.668 119.950 -0.075 0.000 2.593 296 F HA 0.255 4.782 4.527 0.000 0.000 0.336 296 F C -0.916 174.790 175.800 -0.156 0.000 1.491 296 F CA -1.471 56.221 58.000 -0.514 0.000 1.114 296 F CB 0.606 39.132 39.000 -0.789 0.000 1.468 296 F HN -0.294 nan 8.300 nan 0.000 0.579 297 D N 1.674 122.229 120.400 0.259 0.000 2.347 297 D HA 0.205 4.846 4.640 0.000 0.000 0.235 297 D C 0.276 176.836 176.300 0.433 0.000 1.149 297 D CA -0.005 54.211 54.000 0.361 0.000 0.850 297 D CB 2.338 43.397 40.800 0.432 0.000 1.061 297 D HN -0.038 nan 8.370 nan 0.000 0.487 298 V N 3.575 123.726 119.914 0.394 0.000 2.557 298 V HA -0.082 4.038 4.120 0.000 0.000 0.301 298 V C 1.063 177.242 176.094 0.142 0.000 1.026 298 V CA 0.069 62.511 62.300 0.237 0.000 1.137 298 V CB 0.106 32.016 31.823 0.145 0.000 0.917 298 V HN 0.355 nan 8.190 nan 0.000 0.484 299 L N 8.285 129.489 121.223 -0.032 0.000 2.436 299 L HA 0.346 4.686 4.340 0.000 0.000 0.265 299 L C -1.743 174.988 176.870 -0.233 0.000 1.168 299 L CA -1.417 53.278 54.840 -0.242 0.000 0.815 299 L CB 0.953 42.915 42.059 -0.161 0.000 1.109 299 L HN 0.492 nan 8.230 nan 0.000 0.462 300 P HA 0.146 nan 4.420 nan 0.000 0.278 300 P C -0.869 176.367 177.300 -0.105 0.000 1.238 300 P CA -0.459 62.473 63.100 -0.281 0.000 0.794 300 P CB 0.961 32.311 31.700 -0.583 0.000 0.955 301 L N 2.517 123.756 121.223 0.026 0.000 2.410 301 L HA 0.157 4.498 4.340 0.000 0.000 0.273 301 L C 0.325 177.257 176.870 0.104 0.000 1.152 301 L CA -0.343 54.559 54.840 0.104 0.000 0.855 301 L CB 0.657 42.824 42.059 0.180 0.000 1.129 301 L HN 0.148 nan 8.230 nan 0.000 0.463 302 V N 6.089 126.080 119.914 0.128 0.000 2.304 302 V HA 0.336 4.456 4.120 0.000 0.000 0.278 302 V C 0.090 176.176 176.094 -0.013 0.000 1.018 302 V CA -0.364 61.948 62.300 0.020 0.000 0.814 302 V CB 1.165 33.019 31.823 0.052 0.000 1.021 302 V HN 0.483 nan 8.190 nan 0.000 0.440 303 L N 4.471 125.687 121.223 -0.011 0.000 2.317 303 L HA 0.665 5.006 4.340 0.000 0.000 0.281 303 L C -0.113 176.647 176.870 -0.184 0.000 1.024 303 L CA -0.450 54.363 54.840 -0.045 0.000 0.810 303 L CB 1.624 43.695 42.059 0.020 0.000 1.240 303 L HN 0.598 nan 8.230 nan 0.000 0.427 304 Q N 2.730 122.421 119.800 -0.181 0.000 2.341 304 Q HA 0.716 5.056 4.340 0.000 0.000 0.268 304 Q C -1.465 174.427 176.000 -0.180 0.000 1.013 304 Q CA -0.573 55.102 55.803 -0.213 0.000 0.798 304 Q CB 2.083 30.739 28.738 -0.137 0.000 1.253 304 Q HN 0.808 nan 8.270 nan 0.000 0.457 305 A N 3.489 126.156 122.820 -0.257 0.000 2.340 305 A HA 0.402 4.722 4.320 0.000 0.000 0.331 305 A C -0.222 176.889 177.584 -0.788 0.000 1.140 305 A CA -0.258 51.456 52.037 -0.539 0.000 0.801 305 A CB 1.009 19.900 19.000 -0.183 0.000 1.234 305 A HN 1.036 nan 8.150 nan 0.000 0.469 306 D N 0.640 120.044 120.400 -1.661 0.000 2.745 306 D HA -0.095 4.545 4.640 0.000 0.000 0.225 306 D C 1.334 177.426 176.300 -0.346 0.000 1.212 306 D CA 2.604 56.080 54.000 -0.873 0.000 0.632 306 D CB -1.009 39.520 40.800 -0.451 0.000 0.994 306 D HN 1.926 nan 8.370 nan 0.000 0.407 307 G N -0.712 107.944 108.800 -0.239 0.000 2.228 307 G HA2 -0.419 3.541 3.960 0.000 0.000 0.270 307 G HA3 -0.419 3.541 3.960 0.000 0.000 0.270 307 G C 0.681 175.587 174.900 0.011 0.000 0.976 307 G CA 0.858 45.954 45.100 -0.008 0.000 0.636 307 G HN 0.590 nan 8.290 nan 0.000 0.542 308 Q N 0.556 120.305 119.800 -0.085 0.000 2.837 308 Q HA 0.204 4.544 4.340 0.000 0.000 0.187 308 Q C 0.122 176.101 176.000 -0.035 0.000 1.175 308 Q CA 0.239 56.004 55.803 -0.064 0.000 1.271 308 Q CB 0.181 28.855 28.738 -0.107 0.000 1.349 308 Q HN 0.493 nan 8.270 nan 0.000 0.694 309 D N 1.530 121.876 120.400 -0.090 0.000 2.294 309 D HA 0.278 4.919 4.640 0.000 0.000 0.250 309 D C -2.110 173.978 176.300 -0.353 0.000 1.058 309 D CA -1.263 52.621 54.000 -0.194 0.000 0.950 309 D CB 0.878 41.596 40.800 -0.137 0.000 1.158 309 D HN 0.223 nan 8.370 nan 0.000 0.453 310 P HA 0.150 nan 4.420 nan 0.000 0.276 310 P C -0.789 176.241 177.300 -0.450 0.000 1.243 310 P CA -0.003 62.643 63.100 -0.756 0.000 0.768 310 P CB 1.092 31.877 31.700 -1.526 0.000 0.856 311 E N 1.432 121.451 120.200 -0.301 0.000 2.195 311 E HA 0.378 4.728 4.350 0.000 0.000 0.271 311 E C -0.540 175.837 176.600 -0.372 0.000 0.923 311 E CA -1.175 55.039 56.400 -0.309 0.000 0.790 311 E CB 1.993 31.548 29.700 -0.241 0.000 1.155 311 E HN 0.198 nan 8.360 nan 0.000 0.402 312 V N 3.524 123.119 119.914 -0.531 0.000 2.509 312 V HA 0.380 4.500 4.120 0.000 0.000 0.284 312 V C -0.668 174.968 176.094 -0.763 0.000 1.047 312 V CA -0.318 61.721 62.300 -0.436 0.000 0.952 312 V CB 0.198 31.858 31.823 -0.271 0.000 0.988 312 V HN 0.513 nan 8.190 nan 0.000 0.469 313 F N 1.623 121.379 119.950 -0.323 0.000 2.585 313 F HA 0.421 4.948 4.527 0.000 0.000 0.319 313 F C 0.320 175.931 175.800 -0.315 0.000 1.165 313 F CA -0.680 56.985 58.000 -0.557 0.000 0.949 313 F CB 1.516 39.736 39.000 -1.300 0.000 1.218 313 F HN 0.428 nan 8.300 nan 0.000 0.453 314 E N 3.688 123.887 120.200 -0.002 0.000 2.338 314 E HA 0.307 4.657 4.350 0.000 0.000 0.272 314 E C -0.343 176.399 176.600 0.237 0.000 1.029 314 E CA -0.376 56.111 56.400 0.146 0.000 0.872 314 E CB 1.406 31.230 29.700 0.206 0.000 1.015 314 E HN 0.481 nan 8.360 nan 0.000 0.417 315 I N 5.225 125.939 120.570 0.240 0.000 2.505 315 I HA 0.048 4.219 4.170 0.000 0.000 0.287 315 I C -2.002 174.241 176.117 0.211 0.000 1.104 315 I CA -1.886 59.576 61.300 0.269 0.000 1.387 315 I CB 0.089 38.180 38.000 0.151 0.000 1.404 315 I HN 0.185 nan 8.210 nan 0.000 0.528 316 P HA -0.011 nan 4.420 nan 0.000 0.250 316 P C -1.919 175.441 177.300 0.100 0.000 1.161 316 P CA -0.649 62.538 63.100 0.146 0.000 0.863 316 P CB -0.006 31.756 31.700 0.103 0.000 0.827 317 P HA -0.258 nan 4.420 nan 0.000 0.219 317 P C 0.882 178.220 177.300 0.063 0.000 1.153 317 P CA 1.482 64.633 63.100 0.085 0.000 0.865 317 P CB -0.065 31.686 31.700 0.085 0.000 0.788 318 D N -1.441 118.990 120.400 0.053 0.000 2.310 318 D HA -0.065 4.575 4.640 0.000 0.000 0.212 318 D C 1.765 178.084 176.300 0.031 0.000 0.965 318 D CA 0.851 54.874 54.000 0.037 0.000 0.879 318 D CB -0.127 40.691 40.800 0.029 0.000 0.921 318 D HN 0.291 nan 8.370 nan 0.000 0.510 319 L N 0.217 121.460 121.223 0.034 0.000 2.354 319 L HA 0.039 4.379 4.340 0.000 0.000 0.212 319 L C 0.706 177.597 176.870 0.035 0.000 1.091 319 L CA 0.188 55.044 54.840 0.027 0.000 0.828 319 L CB 0.431 42.499 42.059 0.015 0.000 0.973 319 L HN -0.225 nan 8.230 nan 0.000 0.461 320 V N 2.587 122.526 119.914 0.041 0.000 2.338 320 V HA 0.082 4.202 4.120 0.000 0.000 0.255 320 V C 0.066 176.193 176.094 0.054 0.000 1.082 320 V CA -0.368 61.957 62.300 0.042 0.000 0.951 320 V CB 0.743 32.590 31.823 0.039 0.000 1.102 320 V HN 0.063 nan 8.190 nan 0.000 0.489 321 L N 5.827 127.085 121.223 0.058 0.000 2.319 321 L HA 0.458 4.798 4.340 0.000 0.000 0.280 321 L C 0.140 177.039 176.870 0.048 0.000 1.099 321 L CA 0.634 55.500 54.840 0.043 0.000 0.828 321 L CB 0.577 42.656 42.059 0.034 0.000 1.150 321 L HN 0.647 nan 8.230 nan 0.000 0.442 322 E N 3.228 123.436 120.200 0.013 0.000 2.244 322 E HA 0.593 4.943 4.350 0.000 0.000 0.266 322 E C -1.397 175.136 176.600 -0.113 0.000 0.914 322 E CA -1.008 55.387 56.400 -0.008 0.000 0.794 322 E CB 2.455 32.174 29.700 0.033 0.000 1.210 322 E HN 0.401 nan 8.360 nan 0.000 0.414 323 V N 1.913 121.714 119.914 -0.187 0.000 2.448 323 V HA 0.246 4.366 4.120 0.000 0.000 0.295 323 V C -0.276 175.746 176.094 -0.121 0.000 1.025 323 V CA -0.662 61.463 62.300 -0.291 0.000 0.859 323 V CB 1.840 33.201 31.823 -0.769 0.000 0.988 323 V HN 0.700 nan 8.190 nan 0.000 0.431 324 T N 6.784 121.291 114.554 -0.078 0.000 2.780 324 T HA 0.346 4.696 4.350 0.000 0.000 0.294 324 T C 0.239 174.971 174.700 0.054 0.000 0.949 324 T CA -0.462 61.634 62.100 -0.006 0.000 1.074 324 T CB 0.444 69.313 68.868 0.002 0.000 0.910 324 T HN 0.341 nan 8.240 nan 0.000 0.501 325 M N 3.682 123.364 119.600 0.137 0.000 2.238 325 M HA 0.261 4.741 4.480 0.000 0.000 0.350 325 M C 0.425 176.916 176.300 0.318 0.000 1.321 325 M CA 0.061 55.522 55.300 0.268 0.000 1.097 325 M CB -0.400 32.432 32.600 0.386 0.000 1.713 325 M HN 0.679 nan 8.290 nan 0.000 0.455 326 E N 2.430 122.813 120.200 0.305 0.000 2.343 326 E HA 0.127 4.477 4.350 0.000 0.000 0.288 326 E C -1.541 175.160 176.600 0.168 0.000 0.907 326 E CA -0.467 56.103 56.400 0.284 0.000 0.792 326 E CB 1.228 31.021 29.700 0.154 0.000 1.275 326 E HN 0.698 nan 8.360 nan 0.000 0.402 327 H N 5.829 124.854 119.070 -0.075 0.000 2.582 327 H HA 0.209 4.765 4.556 0.000 0.000 0.345 327 H C -1.731 173.440 175.328 -0.261 0.000 1.104 327 H CA -1.606 54.217 56.048 -0.374 0.000 1.390 327 H CB 1.775 31.135 29.762 -0.669 0.000 1.461 327 H HN 0.427 nan 8.280 nan 0.000 0.551 328 P HA -0.031 nan 4.420 nan 0.000 0.242 328 P C 0.416 177.621 177.300 -0.159 0.000 1.197 328 P CA 0.755 63.553 63.100 -0.502 0.000 0.765 328 P CB 0.744 31.806 31.700 -1.064 0.000 0.936 329 K N -1.302 119.122 120.400 0.040 0.000 2.485 329 K HA 0.143 4.463 4.320 0.000 0.000 0.200 329 K C 0.748 177.326 176.600 -0.037 0.000 1.352 329 K CA 0.288 56.532 56.287 -0.071 0.000 0.953 329 K CB 0.020 32.408 32.500 -0.187 0.000 1.387 329 K HN 0.261 nan 8.250 nan 0.000 0.512 330 Y N 3.014 123.078 120.300 -0.393 0.000 2.600 330 Y HA 0.129 4.679 4.550 0.000 0.000 0.351 330 Y C 1.123 176.733 175.900 -0.483 0.000 1.042 330 Y CA -0.480 57.195 58.100 -0.708 0.000 1.333 330 Y CB 0.409 37.963 38.460 -1.511 0.000 1.172 330 Y HN 0.055 nan 8.280 nan 0.000 0.517 331 E N 3.521 123.688 120.200 -0.054 0.000 2.338 331 E HA -0.175 4.175 4.350 0.000 0.000 0.197 331 E C 1.314 177.977 176.600 0.106 0.000 1.007 331 E CA 0.763 57.192 56.400 0.048 0.000 0.849 331 E CB 0.008 29.766 29.700 0.097 0.000 0.774 331 E HN 0.843 nan 8.360 nan 0.000 0.506 332 W N -0.525 120.871 121.300 0.160 0.000 3.047 332 W HA 0.052 4.712 4.660 0.000 0.000 0.250 332 W C 1.143 177.740 176.519 0.130 0.000 1.314 332 W CA -0.364 57.041 57.345 0.100 0.000 1.540 332 W CB -0.668 28.808 29.460 0.027 0.000 1.127 332 W HN -0.065 nan 8.180 nan 0.000 0.679 333 F N 3.625 123.459 119.950 -0.193 0.000 2.113 333 F HA -0.251 4.276 4.527 0.000 0.000 0.297 333 F C 2.897 178.740 175.800 0.072 0.000 1.103 333 F CA 2.781 60.721 58.000 -0.100 0.000 1.248 333 F CB -0.365 38.520 39.000 -0.193 0.000 0.999 333 F HN -0.154 nan 8.300 nan 0.000 0.475 334 Q N 0.205 120.117 119.800 0.186 0.000 2.181 334 Q HA -0.254 4.086 4.340 0.000 0.000 0.205 334 Q C 1.675 177.719 176.000 0.074 0.000 0.980 334 Q CA 1.822 57.701 55.803 0.127 0.000 0.862 334 Q CB -1.199 27.616 28.738 0.128 0.000 0.905 334 Q HN 0.544 nan 8.270 nan 0.000 0.429 335 E N 0.743 121.003 120.200 0.101 0.000 2.401 335 E HA -0.055 4.295 4.350 0.000 0.000 0.199 335 E C 1.911 178.537 176.600 0.042 0.000 1.023 335 E CA 0.330 56.784 56.400 0.090 0.000 0.859 335 E CB -0.106 29.677 29.700 0.138 0.000 0.780 335 E HN 0.366 nan 8.360 nan 0.000 0.523 336 L N -0.531 120.677 121.223 -0.025 0.000 2.313 336 L HA 0.022 4.362 4.340 0.000 0.000 0.214 336 L C 1.375 178.228 176.870 -0.029 0.000 1.119 336 L CA 0.461 55.248 54.840 -0.087 0.000 0.809 336 L CB -0.201 41.674 42.059 -0.307 0.000 0.933 336 L HN 0.256 nan 8.230 nan 0.000 0.449 337 G N 1.129 109.937 108.800 0.013 0.000 2.273 337 G HA2 -0.275 3.685 3.960 0.000 0.000 0.280 337 G HA3 -0.275 3.685 3.960 0.000 0.000 0.280 337 G C -0.010 175.015 174.900 0.208 0.000 1.047 337 G CA 0.007 45.165 45.100 0.097 0.000 0.869 337 G HN 0.224 nan 8.290 nan 0.000 0.502 338 L N -0.746 120.546 121.223 0.114 0.000 2.375 338 L HA 0.852 5.193 4.340 0.000 0.000 0.268 338 L C 0.651 177.548 176.870 0.044 0.000 1.058 338 L CA -0.497 54.440 54.840 0.161 0.000 0.803 338 L CB 1.717 43.691 42.059 -0.140 0.000 1.212 338 L HN 0.567 nan 8.230 nan 0.000 0.451 339 K N 0.247 120.542 120.400 -0.175 0.000 2.685 339 K HA 0.412 4.732 4.320 0.000 0.000 0.290 339 K C -2.161 174.391 176.600 -0.080 0.000 1.018 339 K CA -1.077 55.108 56.287 -0.170 0.000 0.860 339 K CB 1.662 33.985 32.500 -0.296 0.000 1.498 339 K HN 0.564 nan 8.250 nan 0.000 0.390 340 W N 2.056 123.274 121.300 -0.136 0.000 3.137 340 W HA 0.354 5.014 4.660 0.000 0.000 0.324 340 W C -1.206 175.308 176.519 -0.008 0.000 1.253 340 W CA -0.804 56.505 57.345 -0.061 0.000 1.183 340 W CB 1.644 30.943 29.460 -0.269 0.000 1.424 340 W HN 0.690 nan 8.180 nan 0.000 0.566 341 Y N 0.893 121.049 120.300 -0.239 0.000 2.397 341 Y HA 0.497 5.048 4.550 0.000 0.000 0.335 341 Y C 0.719 176.797 175.900 0.297 0.000 1.213 341 Y CA -0.036 58.028 58.100 -0.061 0.000 1.391 341 Y CB 0.180 38.491 38.460 -0.248 0.000 1.293 341 Y HN 0.339 nan 8.280 nan 0.000 0.557 342 A N 2.642 125.694 122.820 0.387 0.000 2.251 342 A HA 0.227 4.547 4.320 0.000 0.000 0.209 342 A C 0.058 177.978 177.584 0.561 0.000 1.187 342 A CA -0.006 52.334 52.037 0.505 0.000 0.823 342 A CB -0.302 18.837 19.000 0.232 0.000 0.846 342 A HN 0.636 nan 8.150 nan 0.000 0.486 343 L N 1.720 123.259 121.223 0.526 0.000 2.324 343 L HA 0.428 4.768 4.340 0.000 0.000 0.274 343 L C -2.653 174.386 176.870 0.282 0.000 1.012 343 L CA -2.139 52.905 54.840 0.339 0.000 0.859 343 L CB 1.853 44.042 42.059 0.218 0.000 1.224 343 L HN -0.078 nan 8.230 nan 0.000 0.429 344 P HA 0.332 nan 4.420 nan 0.000 0.283 344 P C -1.257 175.967 177.300 -0.126 0.000 1.412 344 P CA -0.231 62.694 63.100 -0.291 0.000 0.912 344 P CB 1.200 32.313 31.700 -0.978 0.000 1.132 345 A N 4.582 127.361 122.820 -0.068 0.000 2.410 345 A HA 0.411 4.731 4.320 0.000 0.000 0.289 345 A C -0.192 177.248 177.584 -0.240 0.000 1.200 345 A CA -0.679 51.275 52.037 -0.139 0.000 0.751 345 A CB 0.929 19.848 19.000 -0.135 0.000 1.161 345 A HN 0.286 nan 8.150 nan 0.000 0.459 346 V N 2.099 121.783 119.914 -0.383 0.000 2.572 346 V HA 0.320 4.440 4.120 0.000 0.000 0.291 346 V C 1.268 176.981 176.094 -0.635 0.000 1.039 346 V CA 1.175 63.167 62.300 -0.514 0.000 1.055 346 V CB 1.110 32.544 31.823 -0.649 0.000 0.969 346 V HN 1.088 nan 8.190 nan 0.000 0.482 347 A N 4.130 126.726 122.820 -0.374 0.000 2.287 347 A HA 0.156 4.476 4.320 0.000 0.000 0.214 347 A C 1.224 178.711 177.584 -0.162 0.000 1.228 347 A CA 0.316 52.191 52.037 -0.270 0.000 0.939 347 A CB -0.004 18.896 19.000 -0.167 0.000 0.992 347 A HN 0.834 nan 8.150 nan 0.000 0.502 348 N N -0.396 118.224 118.700 -0.134 0.000 2.321 348 N HA 0.275 5.016 4.740 0.000 0.000 0.242 348 N C -0.235 175.276 175.510 0.002 0.000 1.141 348 N CA -0.069 52.957 53.050 -0.040 0.000 0.864 348 N CB -0.258 38.214 38.487 -0.026 0.000 1.100 348 N HN 0.347 nan 8.380 nan 0.000 0.510 349 M N 0.497 120.075 119.600 -0.037 0.000 2.478 349 M HA 0.361 4.841 4.480 0.000 0.000 0.327 349 M C -0.474 175.926 176.300 0.167 0.000 1.187 349 M CA -0.973 54.369 55.300 0.069 0.000 1.022 349 M CB 2.449 35.078 32.600 0.047 0.000 1.629 349 M HN 0.108 nan 8.290 nan 0.000 0.461 350 L N 3.032 124.394 121.223 0.231 0.000 2.325 350 L HA 0.539 4.879 4.340 0.000 0.000 0.279 350 L C -1.326 175.753 176.870 0.349 0.000 1.054 350 L CA -0.917 54.086 54.840 0.271 0.000 0.804 350 L CB 1.084 43.275 42.059 0.220 0.000 1.200 350 L HN 0.606 nan 8.230 nan 0.000 0.436 351 L N 5.116 126.548 121.223 0.349 0.000 2.265 351 L HA 0.453 4.793 4.340 0.000 0.000 0.289 351 L C -0.478 176.556 176.870 0.274 0.000 1.033 351 L CA 0.190 55.186 54.840 0.260 0.000 0.814 351 L CB 1.095 43.291 42.059 0.227 0.000 1.203 351 L HN 0.640 nan 8.230 nan 0.000 0.423 352 E N 4.784 125.103 120.200 0.198 0.000 2.166 352 E HA 0.523 4.873 4.350 0.000 0.000 0.275 352 E C -1.880 174.752 176.600 0.054 0.000 0.941 352 E CA -0.429 56.071 56.400 0.167 0.000 0.784 352 E CB 1.968 31.829 29.700 0.270 0.000 1.115 352 E HN 0.513 nan 8.360 nan 0.000 0.399 353 V N 3.270 123.178 119.914 -0.010 0.000 2.697 353 V HA 0.460 4.580 4.120 0.000 0.000 0.300 353 V C 0.337 176.309 176.094 -0.204 0.000 1.115 353 V CA 0.467 62.647 62.300 -0.199 0.000 0.912 353 V CB 1.253 32.877 31.823 -0.333 0.000 1.024 353 V HN 0.885 nan 8.190 nan 0.000 0.431 354 G N 4.377 113.098 108.800 -0.132 0.000 2.361 354 G HA2 0.051 4.011 3.960 0.000 0.000 0.294 354 G HA3 0.051 4.011 3.960 0.000 0.000 0.294 354 G C 1.627 176.682 174.900 0.258 0.000 1.004 354 G CA 1.550 46.756 45.100 0.178 0.000 0.870 354 G HN 2.730 nan 8.290 nan 0.000 0.510 355 G N -2.041 106.837 108.800 0.131 0.000 2.268 355 G HA2 -0.235 3.725 3.960 0.000 0.000 0.240 355 G HA3 -0.235 3.725 3.960 0.000 0.000 0.240 355 G C 0.546 175.495 174.900 0.081 0.000 1.010 355 G CA 0.412 45.624 45.100 0.187 0.000 0.618 355 G HN 1.243 nan 8.290 nan 0.000 0.516 356 L N 0.827 122.047 121.223 -0.005 0.000 2.418 356 L HA 0.628 4.968 4.340 0.000 0.000 0.265 356 L C 0.344 177.078 176.870 -0.227 0.000 1.143 356 L CA -0.320 54.405 54.840 -0.191 0.000 0.809 356 L CB 0.916 42.752 42.059 -0.370 0.000 1.124 356 L HN 0.215 nan 8.230 nan 0.000 0.456 357 E N 1.962 121.952 120.200 -0.351 0.000 2.224 357 E HA 0.387 4.737 4.350 0.000 0.000 0.265 357 E C -1.576 174.803 176.600 -0.368 0.000 0.878 357 E CA -0.403 55.863 56.400 -0.223 0.000 0.759 357 E CB 1.851 31.493 29.700 -0.097 0.000 1.164 357 E HN 0.259 nan 8.360 nan 0.000 0.414 358 F N 3.316 123.296 119.950 0.050 0.000 2.311 358 F HA 0.303 4.830 4.527 0.000 0.000 0.371 358 F C -1.789 174.085 175.800 0.124 0.000 1.083 358 F CA -2.185 55.864 58.000 0.082 0.000 1.113 358 F CB 1.337 40.374 39.000 0.061 0.000 1.349 358 F HN 0.362 nan 8.300 nan 0.000 0.470 359 P HA -0.069 nan 4.420 nan 0.000 0.225 359 P C -0.138 177.303 177.300 0.234 0.000 1.148 359 P CA 0.756 63.979 63.100 0.206 0.000 0.779 359 P CB 0.440 32.240 31.700 0.168 0.000 0.780 360 A N -0.052 122.954 122.820 0.311 0.000 2.332 360 A HA 0.591 4.911 4.320 0.000 0.000 0.300 360 A C -0.398 177.415 177.584 0.382 0.000 1.153 360 A CA -0.452 51.783 52.037 0.330 0.000 0.764 360 A CB 0.506 19.712 19.000 0.344 0.000 1.174 360 A HN 0.263 nan 8.150 nan 0.000 0.467 361 C N 1.019 120.469 119.300 0.251 0.000 2.993 361 C HA 0.441 4.901 4.460 0.000 0.000 0.298 361 C C -3.085 171.918 174.990 0.022 0.000 0.906 361 C CA -1.313 57.794 59.018 0.148 0.000 1.090 361 C CB -0.328 27.514 27.740 0.170 0.000 1.656 361 C HN 0.597 nan 8.230 nan 0.000 0.648 362 P HA 0.443 nan 4.420 nan 0.000 0.271 362 P C -0.585 176.593 177.300 -0.204 0.000 1.216 362 P CA 0.792 63.723 63.100 -0.282 0.000 0.776 362 P CB 0.723 32.282 31.700 -0.235 0.000 0.881 363 F N 0.203 120.039 119.950 -0.190 0.000 2.650 363 F HA 0.717 5.244 4.527 0.000 0.000 0.320 363 F C -0.729 174.950 175.800 -0.202 0.000 1.091 363 F CA -1.290 56.606 58.000 -0.173 0.000 0.962 363 F CB 1.492 40.266 39.000 -0.377 0.000 1.363 363 F HN 0.410 nan 8.300 nan 0.000 0.482 364 N N -0.499 118.298 118.700 0.162 0.000 2.823 364 N HA 0.703 5.443 4.740 0.000 0.000 0.251 364 N C -1.362 174.049 175.510 -0.164 0.000 1.392 364 N CA -0.337 52.724 53.050 0.018 0.000 0.864 364 N CB 1.774 40.321 38.487 0.099 0.000 1.481 364 N HN 1.166 nan 8.380 nan 0.000 0.508 365 G N -1.019 107.649 108.800 -0.219 0.000 2.976 365 G HA2 0.649 4.609 3.960 0.000 0.000 0.276 365 G HA3 0.649 4.609 3.960 0.000 0.000 0.276 365 G C -1.879 172.940 174.900 -0.135 0.000 1.207 365 G CA -0.795 44.088 45.100 -0.361 0.000 0.803 365 G HN 0.677 nan 8.290 nan 0.000 0.572 366 W N -1.224 120.055 121.300 -0.034 0.000 2.578 366 W HA 0.809 5.470 4.660 0.000 0.000 0.353 366 W C -1.060 175.429 176.519 -0.050 0.000 1.088 366 W CA -2.078 55.263 57.345 -0.005 0.000 1.235 366 W CB 0.316 29.809 29.460 0.054 0.000 1.362 366 W HN 0.420 nan 8.180 nan 0.000 0.592 367 Y N 2.303 122.752 120.300 0.249 0.000 2.457 367 Y HA 0.124 4.674 4.550 0.000 0.000 0.341 367 Y C 0.785 176.700 175.900 0.025 0.000 1.240 367 Y CA -0.146 57.972 58.100 0.031 0.000 1.437 367 Y CB 0.815 39.177 38.460 -0.163 0.000 1.328 367 Y HN 0.400 nan 8.280 nan 0.000 0.588 368 M N 3.164 122.869 119.600 0.174 0.000 2.072 368 M HA 0.293 4.773 4.480 0.000 0.000 0.331 368 M C 1.141 177.408 176.300 -0.055 0.000 1.004 368 M CA -0.156 55.187 55.300 0.072 0.000 0.952 368 M CB 0.946 33.576 32.600 0.050 0.000 1.511 368 M HN 0.908 nan 8.290 nan 0.000 0.422 369 G N 2.351 111.078 108.800 -0.121 0.000 2.869 369 G HA2 -0.446 3.514 3.960 0.000 0.000 0.236 369 G HA3 -0.446 3.514 3.960 0.000 0.000 0.236 369 G C 1.121 175.851 174.900 -0.283 0.000 1.134 369 G CA 2.373 47.340 45.100 -0.222 0.000 0.748 369 G HN 0.866 nan 8.290 nan 0.000 0.644 370 T N -1.540 112.845 114.554 -0.283 0.000 2.897 370 T HA -0.013 4.337 4.350 0.000 0.000 0.271 370 T C 1.943 176.452 174.700 -0.318 0.000 1.084 370 T CA 1.769 63.658 62.100 -0.351 0.000 1.123 370 T CB -0.143 68.446 68.868 -0.466 0.000 0.865 370 T HN 0.363 nan 8.240 nan 0.000 0.496 371 E N 1.126 121.162 120.200 -0.273 0.000 2.058 371 E HA -0.047 4.303 4.350 0.000 0.000 0.194 371 E C 2.145 178.446 176.600 -0.499 0.000 0.997 371 E CA 1.308 57.555 56.400 -0.254 0.000 0.801 371 E CB -0.247 29.442 29.700 -0.018 0.000 0.746 371 E HN 0.635 nan 8.360 nan 0.000 0.450 372 I N -0.049 120.070 120.570 -0.752 0.000 2.296 372 I HA -0.073 4.097 4.170 0.000 0.000 0.242 372 I C 2.564 178.091 176.117 -0.983 0.000 1.087 372 I CA 1.016 61.557 61.300 -1.266 0.000 1.393 372 I CB -0.551 36.606 38.000 -1.406 0.000 1.093 372 I HN 0.074 nan 8.210 nan 0.000 0.421 373 G N 0.521 109.004 108.800 -0.529 0.000 2.442 373 G HA2 -0.148 3.812 3.960 0.000 0.000 0.219 373 G HA3 -0.148 3.812 3.960 0.000 0.000 0.219 373 G C 1.570 176.407 174.900 -0.106 0.000 1.141 373 G CA 1.314 46.306 45.100 -0.180 0.000 0.763 373 G HN 0.259 nan 8.290 nan 0.000 0.554 374 V N -0.141 119.649 119.914 -0.208 0.000 2.627 374 V HA 0.115 4.235 4.120 0.000 0.000 0.239 374 V C 2.740 178.756 176.094 -0.131 0.000 1.077 374 V CA 0.741 62.953 62.300 -0.146 0.000 1.103 374 V CB -0.226 31.479 31.823 -0.197 0.000 0.802 374 V HN 0.085 nan 8.190 nan 0.000 0.482 375 R N 0.900 121.281 120.500 -0.198 0.000 2.051 375 R HA -0.032 4.308 4.340 0.000 0.000 0.225 375 R C 2.000 178.223 176.300 -0.128 0.000 1.155 375 R CA 1.582 57.589 56.100 -0.155 0.000 0.945 375 R CB -1.161 29.034 30.300 -0.174 0.000 0.840 375 R HN 0.463 nan 8.270 nan 0.000 0.432 376 D N 0.452 120.666 120.400 -0.311 0.000 2.104 376 D HA -0.144 4.496 4.640 0.000 0.000 0.194 376 D C 1.907 178.174 176.300 -0.055 0.000 0.994 376 D CA 1.216 55.001 54.000 -0.360 0.000 0.830 376 D CB -0.227 39.823 40.800 -1.249 0.000 0.959 376 D HN 0.098 nan 8.370 nan 0.000 0.452 377 F N 0.220 120.068 119.950 -0.169 0.000 2.270 377 F HA 0.028 4.555 4.527 0.000 0.000 0.295 377 F C 2.428 178.283 175.800 0.092 0.000 1.087 377 F CA -0.156 57.845 58.000 0.003 0.000 1.365 377 F CB -0.657 38.322 39.000 -0.034 0.000 1.056 377 F HN 0.038 nan 8.300 nan 0.000 0.506 378 C N -1.163 118.268 119.300 0.218 0.000 2.865 378 C HA 0.163 4.623 4.460 0.000 0.000 0.280 378 C C 0.398 175.450 174.990 0.104 0.000 1.255 378 C CA -0.648 58.461 59.018 0.151 0.000 1.705 378 C CB -0.672 27.127 27.740 0.098 0.000 2.080 378 C HN 0.102 nan 8.230 nan 0.000 0.591 379 D N 1.964 122.415 120.400 0.084 0.000 2.488 379 D HA 0.049 4.689 4.640 0.000 0.000 0.238 379 D C 1.499 177.852 176.300 0.088 0.000 1.138 379 D CA 0.546 54.583 54.000 0.061 0.000 0.873 379 D CB 0.838 41.669 40.800 0.050 0.000 1.183 379 D HN 0.412 nan 8.370 nan 0.000 0.458 380 T N -0.265 114.328 114.554 0.066 0.000 2.803 380 T HA -0.258 4.092 4.350 0.000 0.000 0.269 380 T C 1.433 176.176 174.700 0.071 0.000 1.052 380 T CA 1.005 63.148 62.100 0.071 0.000 1.136 380 T CB -0.101 68.800 68.868 0.056 0.000 0.864 380 T HN 0.554 nan 8.240 nan 0.000 0.467 381 Q N 0.571 120.410 119.800 0.065 0.000 2.451 381 Q HA 0.085 4.425 4.340 0.000 0.000 0.206 381 Q C 1.175 177.221 176.000 0.078 0.000 0.947 381 Q CA 0.182 56.023 55.803 0.063 0.000 0.937 381 Q CB 0.138 28.909 28.738 0.055 0.000 1.025 381 Q HN 0.382 nan 8.270 nan 0.000 0.511 382 R N -0.151 120.418 120.500 0.114 0.000 2.647 382 R HA 0.217 4.557 4.340 0.000 0.000 0.124 382 R C 1.515 177.909 176.300 0.155 0.000 1.294 382 R CA -0.366 55.836 56.100 0.171 0.000 1.060 382 R CB -1.133 29.329 30.300 0.270 0.000 1.282 382 R HN 0.079 nan 8.270 nan 0.000 0.430 383 Y N 1.701 122.151 120.300 0.250 0.000 2.571 383 Y HA -0.066 4.484 4.550 0.000 0.000 0.294 383 Y C 0.617 176.629 175.900 0.187 0.000 1.141 383 Y CA 0.568 58.828 58.100 0.267 0.000 1.308 383 Y CB -0.441 38.284 38.460 0.442 0.000 1.002 383 Y HN 0.427 nan 8.280 nan 0.000 0.551 384 N N 1.242 120.112 118.700 0.283 0.000 2.691 384 N HA -0.236 4.504 4.740 0.000 0.000 0.277 384 N C 0.360 175.984 175.510 0.189 0.000 1.029 384 N CA 0.887 54.055 53.050 0.198 0.000 0.798 384 N CB -1.144 37.425 38.487 0.136 0.000 0.922 384 N HN 0.693 nan 8.380 nan 0.000 0.562 385 I N -2.579 118.115 120.570 0.206 0.000 3.956 385 I HA 0.117 4.287 4.170 0.000 0.000 0.333 385 I C 1.597 177.818 176.117 0.173 0.000 1.302 385 I CA -0.454 60.937 61.300 0.152 0.000 1.122 385 I CB -0.024 38.023 38.000 0.078 0.000 1.013 385 I HN 0.145 nan 8.210 nan 0.000 0.405 386 L N 2.099 123.445 121.223 0.204 0.000 2.013 386 L HA -0.230 4.110 4.340 0.000 0.000 0.212 386 L C 2.583 179.679 176.870 0.376 0.000 1.073 386 L CA 2.499 57.495 54.840 0.260 0.000 0.753 386 L CB -0.632 41.543 42.059 0.193 0.000 0.890 386 L HN 0.561 nan 8.230 nan 0.000 0.432 387 E N -1.001 119.400 120.200 0.334 0.000 2.072 387 E HA -0.253 4.097 4.350 0.000 0.000 0.191 387 E C 1.893 178.532 176.600 0.065 0.000 0.985 387 E CA 1.227 57.770 56.400 0.238 0.000 0.801 387 E CB -0.033 29.760 29.700 0.154 0.000 0.750 387 E HN 0.496 nan 8.360 nan 0.000 0.452 388 E N 0.151 120.393 120.200 0.071 0.000 2.118 388 E HA -0.157 4.193 4.350 0.000 0.000 0.195 388 E C 2.062 178.667 176.600 0.009 0.000 0.992 388 E CA 1.331 57.737 56.400 0.009 0.000 0.804 388 E CB -0.150 29.561 29.700 0.019 0.000 0.741 388 E HN 0.184 nan 8.360 nan 0.000 0.458 389 V N -0.008 119.983 119.914 0.129 0.000 2.488 389 V HA -0.074 4.046 4.120 0.000 0.000 0.246 389 V C 2.175 178.389 176.094 0.199 0.000 1.046 389 V CA 1.770 64.219 62.300 0.248 0.000 1.053 389 V CB -0.856 31.205 31.823 0.397 0.000 0.679 389 V HN 0.400 nan 8.190 nan 0.000 0.458 390 G N -0.525 108.392 108.800 0.195 0.000 2.403 390 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 390 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 390 G C 1.729 176.547 174.900 -0.137 0.000 1.154 390 G CA 0.572 45.754 45.100 0.136 0.000 0.784 390 G HN 0.354 nan 8.290 nan 0.000 0.538 391 R N 0.932 121.302 120.500 -0.215 0.000 2.083 391 R HA -0.081 4.259 4.340 0.000 0.000 0.237 391 R C 2.236 178.357 176.300 -0.298 0.000 1.137 391 R CA 1.497 57.436 56.100 -0.268 0.000 0.951 391 R CB -0.171 29.994 30.300 -0.223 0.000 0.851 391 R HN 0.443 nan 8.270 nan 0.000 0.434 392 R N -0.266 119.996 120.500 -0.398 0.000 2.752 392 R HA 0.111 4.451 4.340 0.000 0.000 0.279 392 R C 1.055 176.837 176.300 -0.864 0.000 1.212 392 R CA 0.245 55.943 56.100 -0.669 0.000 1.169 392 R CB 0.090 29.875 30.300 -0.858 0.000 1.286 392 R HN 0.208 nan 8.270 nan 0.000 0.564 393 M N -0.402 118.951 119.600 -0.411 0.000 2.306 393 M HA 0.253 4.733 4.480 0.000 0.000 0.292 393 M C 0.625 176.838 176.300 -0.146 0.000 1.018 393 M CA 0.769 55.951 55.300 -0.196 0.000 1.007 393 M CB 1.070 33.717 32.600 0.078 0.000 1.510 393 M HN 0.575 nan 8.290 nan 0.000 0.537 394 G N 1.277 109.967 108.800 -0.184 0.000 2.199 394 G HA2 -0.233 3.727 3.960 0.000 0.000 0.254 394 G HA3 -0.233 3.727 3.960 0.000 0.000 0.254 394 G C 0.074 174.918 174.900 -0.094 0.000 0.982 394 G CA 0.132 45.156 45.100 -0.127 0.000 0.632 394 G HN 0.414 nan 8.290 nan 0.000 0.529 395 L N 1.147 122.316 121.223 -0.091 0.000 2.473 395 L HA 0.383 4.723 4.340 0.000 0.000 0.268 395 L C 1.088 177.812 176.870 -0.243 0.000 1.215 395 L CA -0.028 54.760 54.840 -0.087 0.000 0.823 395 L CB 0.345 42.418 42.059 0.023 0.000 1.099 395 L HN 0.463 nan 8.230 nan 0.000 0.483 396 E N -0.404 119.618 120.200 -0.297 0.000 1.924 396 E HA 0.066 4.416 4.350 0.000 0.000 0.261 396 E C 0.553 176.527 176.600 -1.043 0.000 1.088 396 E CA -0.180 55.821 56.400 -0.665 0.000 0.909 396 E CB 0.183 29.565 29.700 -0.530 0.000 1.112 396 E HN 0.699 nan 8.360 nan 0.000 0.425 397 T N -0.263 113.601 114.554 -1.149 0.000 3.227 397 T HA -0.118 4.232 4.350 0.000 0.000 0.257 397 T C 0.908 175.160 174.700 -0.747 0.000 1.162 397 T CA 0.973 62.081 62.100 -1.653 0.000 1.051 397 T CB -0.585 67.396 68.868 -1.478 0.000 0.953 397 T HN 0.663 nan 8.240 nan 0.000 0.535 398 H N 0.085 118.989 119.070 -0.277 0.000 2.582 398 H HA 0.280 4.836 4.556 0.000 0.000 0.269 398 H C 0.649 176.002 175.328 0.041 0.000 0.962 398 H CA 0.480 56.481 56.048 -0.080 0.000 1.230 398 H CB -0.329 29.385 29.762 -0.080 0.000 1.445 398 H HN 0.440 nan 8.280 nan 0.000 0.528 399 T N -0.873 113.680 114.554 -0.001 0.000 2.833 399 T HA 0.262 4.612 4.350 0.000 0.000 0.297 399 T C 0.722 175.563 174.700 0.234 0.000 1.015 399 T CA -0.831 61.355 62.100 0.143 0.000 0.963 399 T CB 1.572 70.525 68.868 0.141 0.000 0.955 399 T HN 0.014 nan 8.240 nan 0.000 0.449 400 L N 3.154 124.511 121.223 0.225 0.000 2.042 400 L HA 0.034 4.374 4.340 0.000 0.000 0.210 400 L C 2.747 179.670 176.870 0.089 0.000 1.076 400 L CA 2.273 57.212 54.840 0.165 0.000 0.749 400 L CB -1.222 40.891 42.059 0.090 0.000 0.893 400 L HN 0.923 nan 8.230 nan 0.000 0.432 401 A N -1.319 121.551 122.820 0.083 0.000 2.131 401 A HA -0.211 4.109 4.320 0.000 0.000 0.220 401 A C 2.385 180.008 177.584 0.065 0.000 1.158 401 A CA 1.629 53.700 52.037 0.056 0.000 0.665 401 A CB -0.861 18.172 19.000 0.054 0.000 0.795 401 A HN 0.622 nan 8.150 nan 0.000 0.460 402 S N -0.669 115.099 115.700 0.114 0.000 2.515 402 S HA 0.088 4.558 4.470 0.000 0.000 0.231 402 S C 0.917 175.581 174.600 0.108 0.000 0.987 402 S CA 0.705 58.978 58.200 0.122 0.000 0.936 402 S CB -0.731 62.563 63.200 0.157 0.000 0.766 402 S HN 0.900 nan 8.310 nan 0.000 0.528 403 L N 0.139 121.388 121.223 0.043 0.000 4.040 403 L HA -0.182 4.158 4.340 0.000 0.000 0.410 403 L C 1.665 178.521 176.870 -0.023 0.000 1.187 403 L CA 0.846 55.661 54.840 -0.042 0.000 0.956 403 L CB -2.720 39.334 42.059 -0.009 0.000 2.022 403 L HN 0.762 nan 8.230 nan 0.000 0.897 404 W N 0.454 121.749 121.300 -0.009 0.000 2.363 404 W HA -0.150 4.510 4.660 0.000 0.000 0.296 404 W C 1.722 178.253 176.519 0.021 0.000 1.212 404 W CA 1.345 58.688 57.345 -0.003 0.000 1.260 404 W CB -0.721 28.714 29.460 -0.040 0.000 1.131 404 W HN 0.260 nan 8.180 nan 0.000 0.530 405 K N 1.088 120.953 120.400 -0.892 0.000 2.057 405 K HA -0.173 4.147 4.320 0.000 0.000 0.207 405 K C 1.488 177.934 176.600 -0.257 0.000 1.049 405 K CA 2.366 58.182 56.287 -0.785 0.000 0.931 405 K CB -0.416 31.510 32.500 -0.955 0.000 0.714 405 K HN 0.068 nan 8.250 nan 0.000 0.440 406 D N 0.191 120.475 120.400 -0.193 0.000 2.144 406 D HA -0.114 4.526 4.640 0.000 0.000 0.199 406 D C 1.967 178.270 176.300 0.006 0.000 0.984 406 D CA 0.958 54.912 54.000 -0.077 0.000 0.834 406 D CB 0.054 40.818 40.800 -0.060 0.000 0.955 406 D HN 0.086 nan 8.370 nan 0.000 0.465 407 R N 0.488 121.021 120.500 0.054 0.000 2.075 407 R HA 0.047 4.387 4.340 0.000 0.000 0.232 407 R C 2.234 178.635 176.300 0.168 0.000 1.126 407 R CA 1.081 57.253 56.100 0.120 0.000 0.963 407 R CB -0.429 29.967 30.300 0.160 0.000 0.858 407 R HN 0.189 nan 8.270 nan 0.000 0.435 408 A N 0.889 123.832 122.820 0.205 0.000 1.835 408 A HA -0.147 4.173 4.320 0.000 0.000 0.215 408 A C 2.286 179.993 177.584 0.206 0.000 1.199 408 A CA 1.641 53.838 52.037 0.267 0.000 0.615 408 A CB -1.092 18.112 19.000 0.340 0.000 0.838 408 A HN 0.176 nan 8.150 nan 0.000 0.444 409 V N 0.208 120.196 119.914 0.123 0.000 2.370 409 V HA -0.270 3.850 4.120 0.000 0.000 0.252 409 V C 2.523 178.657 176.094 0.068 0.000 1.068 409 V CA 3.133 65.483 62.300 0.082 0.000 1.061 409 V CB -0.984 30.843 31.823 0.008 0.000 0.656 409 V HN 0.690 nan 8.190 nan 0.000 0.455 410 T N -0.524 114.071 114.554 0.068 0.000 2.737 410 T HA -0.165 4.185 4.350 0.000 0.000 0.265 410 T C 1.792 176.527 174.700 0.059 0.000 1.038 410 T CA 1.617 63.752 62.100 0.058 0.000 1.144 410 T CB -0.287 68.620 68.868 0.065 0.000 0.866 410 T HN 0.467 nan 8.240 nan 0.000 0.434 411 E N 0.783 121.051 120.200 0.114 0.000 2.153 411 E HA -0.003 4.347 4.350 0.000 0.000 0.194 411 E C 2.002 178.630 176.600 0.046 0.000 0.988 411 E CA 0.644 57.123 56.400 0.131 0.000 0.811 411 E CB -0.446 29.413 29.700 0.264 0.000 0.746 411 E HN 0.523 nan 8.360 nan 0.000 0.466 412 I N 0.227 120.868 120.570 0.119 0.000 2.202 412 I HA -0.288 3.882 4.170 0.000 0.000 0.242 412 I C 1.850 177.984 176.117 0.028 0.000 1.091 412 I CA 1.171 62.552 61.300 0.135 0.000 1.368 412 I CB -0.326 37.839 38.000 0.276 0.000 1.058 412 I HN 0.134 nan 8.210 nan 0.000 0.410 413 N N 0.214 118.918 118.700 0.006 0.000 2.104 413 N HA -0.174 4.566 4.740 0.000 0.000 0.190 413 N C 1.837 177.298 175.510 -0.082 0.000 1.024 413 N CA 1.391 54.413 53.050 -0.047 0.000 0.853 413 N CB -0.078 38.378 38.487 -0.051 0.000 1.008 413 N HN 0.061 nan 8.380 nan 0.000 0.424 414 V N 1.119 120.960 119.914 -0.123 0.000 2.332 414 V HA -0.268 3.852 4.120 0.000 0.000 0.248 414 V C 2.308 178.217 176.094 -0.309 0.000 1.055 414 V CA 1.972 64.141 62.300 -0.218 0.000 1.038 414 V CB -1.009 30.632 31.823 -0.303 0.000 0.651 414 V HN 0.386 nan 8.190 nan 0.000 0.450 415 A N -0.178 122.382 122.820 -0.434 0.000 1.883 415 A HA -0.181 4.139 4.320 0.000 0.000 0.217 415 A C 2.415 179.940 177.584 -0.100 0.000 1.186 415 A CA 2.275 54.038 52.037 -0.456 0.000 0.624 415 A CB -0.782 17.681 19.000 -0.896 0.000 0.822 415 A HN 0.331 nan 8.150 nan 0.000 0.444 416 V N 0.172 120.079 119.914 -0.013 0.000 2.255 416 V HA -0.286 3.834 4.120 0.000 0.000 0.247 416 V C 2.599 178.734 176.094 0.069 0.000 1.051 416 V CA 2.098 64.450 62.300 0.085 0.000 1.018 416 V CB -0.852 30.954 31.823 -0.030 0.000 0.641 416 V HN 0.581 nan 8.190 nan 0.000 0.445 417 L N -0.615 120.593 121.223 -0.024 0.000 2.042 417 L HA -0.254 4.086 4.340 0.000 0.000 0.210 417 L C 2.595 179.498 176.870 0.055 0.000 1.076 417 L CA 2.196 57.029 54.840 -0.013 0.000 0.749 417 L CB -0.908 41.135 42.059 -0.027 0.000 0.893 417 L HN 0.537 nan 8.230 nan 0.000 0.432 418 H N -0.213 118.810 119.070 -0.079 0.000 2.270 418 H HA -0.152 4.404 4.556 0.000 0.000 0.299 418 H C 2.382 177.700 175.328 -0.017 0.000 1.077 418 H CA 1.778 57.772 56.048 -0.091 0.000 1.294 418 H CB 0.327 29.964 29.762 -0.208 0.000 1.371 418 H HN 0.239 nan 8.280 nan 0.000 0.491 419 S N 0.391 116.000 115.700 -0.153 0.000 2.365 419 S HA -0.170 4.300 4.470 0.000 0.000 0.225 419 S C 1.967 176.524 174.600 -0.072 0.000 1.039 419 S CA 1.589 59.698 58.200 -0.152 0.000 1.033 419 S CB -0.568 62.646 63.200 0.023 0.000 0.887 419 S HN 0.310 nan 8.310 nan 0.000 0.447 420 F N 1.800 121.685 119.950 -0.109 0.000 2.186 420 F HA -0.077 4.450 4.527 0.000 0.000 0.299 420 F C 2.670 178.416 175.800 -0.090 0.000 1.090 420 F CA 1.066 59.022 58.000 -0.074 0.000 1.307 420 F CB -0.524 38.449 39.000 -0.046 0.000 1.019 420 F HN 0.218 nan 8.300 nan 0.000 0.489 421 Q N -0.263 119.585 119.800 0.081 0.000 2.167 421 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 421 Q C 2.199 178.165 176.000 -0.057 0.000 0.970 421 Q CA 1.353 57.160 55.803 0.006 0.000 0.855 421 Q CB -0.156 28.586 28.738 0.006 0.000 0.911 421 Q HN 0.371 nan 8.270 nan 0.000 0.438 422 K N 0.960 121.274 120.400 -0.143 0.000 2.007 422 K HA -0.123 4.197 4.320 0.000 0.000 0.206 422 K C 1.474 178.005 176.600 -0.116 0.000 1.047 422 K CA 1.078 57.267 56.287 -0.164 0.000 0.937 422 K CB 0.181 32.496 32.500 -0.309 0.000 0.718 422 K HN 0.142 nan 8.250 nan 0.000 0.438 423 Q N 0.926 120.647 119.800 -0.131 0.000 2.387 423 Q HA 0.038 4.379 4.340 0.000 0.000 0.211 423 Q C -0.544 175.401 176.000 -0.092 0.000 0.952 423 Q CA -0.054 55.679 55.803 -0.117 0.000 0.957 423 Q CB 0.042 28.685 28.738 -0.158 0.000 1.002 423 Q HN 0.305 nan 8.270 nan 0.000 0.502 424 N N -0.204 118.456 118.700 -0.066 0.000 2.735 424 N HA -0.149 4.591 4.740 0.000 0.000 0.248 424 N C -1.162 174.330 175.510 -0.029 0.000 1.083 424 N CA 0.610 53.634 53.050 -0.044 0.000 0.703 424 N CB -1.296 37.165 38.487 -0.044 0.000 1.005 424 N HN 0.059 nan 8.380 nan 0.000 0.550 425 V N 0.743 120.653 119.914 -0.006 0.000 2.472 425 V HA 0.274 4.394 4.120 0.000 0.000 0.290 425 V C 1.010 177.212 176.094 0.179 0.000 1.037 425 V CA -0.584 61.755 62.300 0.065 0.000 0.908 425 V CB 1.998 33.808 31.823 -0.022 0.000 0.985 425 V HN 0.116 nan 8.190 nan 0.000 0.454 426 T N 5.996 120.616 114.554 0.112 0.000 2.940 426 T HA 0.503 4.853 4.350 0.000 0.000 0.309 426 T C -0.242 174.508 174.700 0.084 0.000 1.056 426 T CA 0.656 62.742 62.100 -0.023 0.000 1.137 426 T CB 0.200 68.936 68.868 -0.219 0.000 0.976 426 T HN 0.591 nan 8.240 nan 0.000 0.547 427 I N 2.080 122.604 120.570 -0.077 0.000 2.793 427 I HA 0.466 4.636 4.170 0.000 0.000 0.295 427 I C -1.814 174.258 176.117 -0.075 0.000 1.610 427 I CA -0.878 60.378 61.300 -0.074 0.000 0.986 427 I CB 1.878 39.709 38.000 -0.282 0.000 1.402 427 I HN 0.651 nan 8.210 nan 0.000 0.500 428 M N 6.566 126.180 119.600 0.024 0.000 2.327 428 M HA 0.375 4.855 4.480 0.000 0.000 0.298 428 M C -1.330 175.007 176.300 0.063 0.000 1.065 428 M CA -0.631 54.706 55.300 0.061 0.000 0.916 428 M CB 1.568 34.278 32.600 0.184 0.000 1.630 428 M HN 0.607 nan 8.290 nan 0.000 0.442 429 D N 3.673 124.110 120.400 0.061 0.000 2.361 429 D HA -0.040 4.600 4.640 0.000 0.000 0.239 429 D C 0.683 177.063 176.300 0.134 0.000 1.200 429 D CA -0.002 54.068 54.000 0.116 0.000 0.915 429 D CB 0.499 41.369 40.800 0.116 0.000 1.170 429 D HN 0.845 nan 8.370 nan 0.000 0.444 430 H N 0.363 119.386 119.070 -0.078 0.000 2.423 430 H HA -0.146 4.410 4.556 0.000 0.000 0.297 430 H C 1.514 176.759 175.328 -0.139 0.000 1.075 430 H CA 1.319 57.282 56.048 -0.142 0.000 1.342 430 H CB -0.862 28.755 29.762 -0.242 0.000 1.395 430 H HN 0.531 nan 8.280 nan 0.000 0.530 431 H N 1.019 119.870 119.070 -0.366 0.000 2.270 431 H HA -0.069 4.487 4.556 0.000 0.000 0.299 431 H C 2.076 177.363 175.328 -0.068 0.000 1.077 431 H CA 2.125 58.029 56.048 -0.238 0.000 1.294 431 H CB -0.498 29.101 29.762 -0.271 0.000 1.371 431 H HN 0.379 nan 8.280 nan 0.000 0.491 432 T N 1.285 115.896 114.554 0.094 0.000 2.737 432 T HA -0.169 4.181 4.350 0.000 0.000 0.269 432 T C 2.271 177.031 174.700 0.101 0.000 1.040 432 T CA 1.341 63.491 62.100 0.083 0.000 1.142 432 T CB -0.459 68.451 68.868 0.069 0.000 0.861 432 T HN 0.466 nan 8.240 nan 0.000 0.456 433 A N 1.102 123.984 122.820 0.103 0.000 1.898 433 A HA -0.069 4.251 4.320 0.000 0.000 0.216 433 A C 2.625 180.294 177.584 0.142 0.000 1.181 433 A CA 1.861 53.977 52.037 0.131 0.000 0.620 433 A CB -0.759 18.310 19.000 0.116 0.000 0.819 433 A HN 0.446 nan 8.150 nan 0.000 0.442 434 S N -0.126 115.636 115.700 0.104 0.000 2.345 434 S HA -0.152 4.319 4.470 0.000 0.000 0.220 434 S C 1.785 176.491 174.600 0.176 0.000 1.031 434 S CA 1.410 59.688 58.200 0.130 0.000 0.996 434 S CB -0.386 62.858 63.200 0.073 0.000 0.882 434 S HN 0.695 nan 8.310 nan 0.000 0.445 435 E N 0.851 121.131 120.200 0.133 0.000 2.267 435 E HA -0.123 4.227 4.350 0.000 0.000 0.197 435 E C 2.090 178.763 176.600 0.122 0.000 0.998 435 E CA 0.940 57.411 56.400 0.118 0.000 0.830 435 E CB -0.159 29.593 29.700 0.087 0.000 0.751 435 E HN 0.371 nan 8.360 nan 0.000 0.491 436 S N 0.168 115.954 115.700 0.143 0.000 2.362 436 S HA -0.113 4.357 4.470 0.000 0.000 0.221 436 S C 1.674 176.373 174.600 0.164 0.000 1.032 436 S CA 0.451 58.736 58.200 0.142 0.000 0.973 436 S CB -0.218 63.075 63.200 0.155 0.000 0.849 436 S HN 0.325 nan 8.310 nan 0.000 0.465 437 F N 2.194 122.198 119.950 0.089 0.000 2.134 437 F HA -0.069 4.458 4.527 0.000 0.000 0.299 437 F C 2.130 178.020 175.800 0.150 0.000 1.097 437 F CA 1.591 59.658 58.000 0.111 0.000 1.264 437 F CB -0.311 38.735 39.000 0.077 0.000 1.001 437 F HN 0.183 nan 8.300 nan 0.000 0.479 438 M N 0.304 120.001 119.600 0.161 0.000 2.080 438 M HA -0.225 4.255 4.480 0.000 0.000 0.260 438 M C 2.238 178.520 176.300 -0.030 0.000 1.068 438 M CA 1.753 57.097 55.300 0.073 0.000 1.109 438 M CB -1.331 31.349 32.600 0.133 0.000 1.342 438 M HN 0.100 nan 8.290 nan 0.000 0.405 439 K N -0.356 120.049 120.400 0.008 0.000 2.057 439 K HA -0.210 4.110 4.320 0.000 0.000 0.207 439 K C 1.978 178.556 176.600 -0.036 0.000 1.049 439 K CA 1.912 58.199 56.287 0.000 0.000 0.931 439 K CB -0.644 31.876 32.500 0.034 0.000 0.714 439 K HN 0.454 nan 8.250 nan 0.000 0.440 440 H N -0.344 118.625 119.070 -0.169 0.000 2.321 440 H HA -0.046 4.510 4.556 0.000 0.000 0.300 440 H C 2.043 177.200 175.328 -0.285 0.000 1.087 440 H CA 2.458 58.374 56.048 -0.220 0.000 1.319 440 H CB -0.187 29.397 29.762 -0.296 0.000 1.379 440 H HN 0.242 nan 8.280 nan 0.000 0.501 441 M N 0.086 119.365 119.600 -0.534 0.000 2.108 441 M HA -0.259 4.221 4.480 0.000 0.000 0.261 441 M C 2.155 178.374 176.300 -0.136 0.000 1.066 441 M CA 2.115 57.164 55.300 -0.418 0.000 1.107 441 M CB -0.053 32.374 32.600 -0.289 0.000 1.356 441 M HN 0.490 nan 8.290 nan 0.000 0.406 442 Q N -0.196 119.539 119.800 -0.107 0.000 2.170 442 Q HA -0.159 4.181 4.340 0.000 0.000 0.203 442 Q C 1.593 177.565 176.000 -0.047 0.000 0.976 442 Q CA 1.411 57.192 55.803 -0.037 0.000 0.858 442 Q CB -0.184 28.528 28.738 -0.044 0.000 0.907 442 Q HN 0.571 nan 8.270 nan 0.000 0.433 443 N N 0.324 118.947 118.700 -0.128 0.000 2.216 443 N HA -0.123 4.617 4.740 0.000 0.000 0.183 443 N C 1.498 176.906 175.510 -0.169 0.000 1.017 443 N CA 0.890 53.868 53.050 -0.119 0.000 0.861 443 N CB -0.019 38.403 38.487 -0.108 0.000 0.986 443 N HN 0.224 nan 8.380 nan 0.000 0.428 444 E N 0.155 120.164 120.200 -0.318 0.000 2.072 444 E HA -0.100 4.250 4.350 0.000 0.000 0.191 444 E C 1.634 178.078 176.600 -0.261 0.000 0.985 444 E CA 0.743 56.924 56.400 -0.365 0.000 0.801 444 E CB -0.372 28.996 29.700 -0.553 0.000 0.750 444 E HN 0.490 nan 8.360 nan 0.000 0.452 445 Y N 0.786 120.998 120.300 -0.146 0.000 2.421 445 Y HA -0.064 4.486 4.550 0.000 0.000 0.292 445 Y C 2.459 178.331 175.900 -0.047 0.000 1.136 445 Y CA 0.937 58.996 58.100 -0.068 0.000 1.255 445 Y CB 0.101 38.526 38.460 -0.058 0.000 0.991 445 Y HN -0.036 nan 8.280 nan 0.000 0.552 446 R N -0.957 119.570 120.500 0.045 0.000 2.066 446 R HA 0.019 4.359 4.340 0.000 0.000 0.224 446 R C 2.466 178.762 176.300 -0.006 0.000 1.122 446 R CA 0.966 57.080 56.100 0.024 0.000 0.974 446 R CB -0.423 29.882 30.300 0.009 0.000 0.871 446 R HN 0.238 nan 8.270 nan 0.000 0.435 447 A N 0.818 123.613 122.820 -0.041 0.000 1.854 447 A HA -0.051 4.269 4.320 0.000 0.000 0.214 447 A C 1.987 179.537 177.584 -0.057 0.000 1.192 447 A CA 1.028 53.040 52.037 -0.043 0.000 0.611 447 A CB -0.133 18.838 19.000 -0.048 0.000 0.832 447 A HN 0.113 nan 8.150 nan 0.000 0.442 448 R N -1.841 118.593 120.500 -0.110 0.000 2.308 448 R HA 0.207 4.547 4.340 0.000 0.000 0.202 448 R C 0.788 177.021 176.300 -0.112 0.000 0.898 448 R CA 0.585 56.617 56.100 -0.113 0.000 1.046 448 R CB 0.300 30.501 30.300 -0.165 0.000 1.026 448 R HN 0.709 nan 8.270 nan 0.000 0.512 449 G N 0.813 109.538 108.800 -0.125 0.000 2.272 449 G HA2 -0.191 3.769 3.960 0.000 0.000 0.280 449 G HA3 -0.191 3.769 3.960 0.000 0.000 0.280 449 G C 0.047 174.788 174.900 -0.265 0.000 1.067 449 G CA 0.232 45.285 45.100 -0.078 0.000 0.902 449 G HN 0.669 nan 8.290 nan 0.000 0.500 450 G N -2.409 105.936 108.800 -0.759 0.000 2.368 450 G HA2 0.542 4.502 3.960 0.000 0.000 0.303 450 G HA3 0.542 4.502 3.960 0.000 0.000 0.303 450 G C -0.802 173.657 174.900 -0.736 0.000 1.590 450 G CA 0.240 44.769 45.100 -0.952 0.000 0.938 450 G HN 1.855 nan 8.290 nan 0.000 0.675 451 C N 3.250 122.260 119.300 -0.483 0.000 2.789 451 C HA 0.687 5.147 4.460 0.000 0.000 0.367 451 C C -2.435 172.497 174.990 -0.096 0.000 1.062 451 C CA -1.379 57.520 59.018 -0.199 0.000 1.297 451 C CB 1.195 28.863 27.740 -0.119 0.000 1.794 451 C HN 0.679 nan 8.230 nan 0.000 0.474 452 P HA 0.336 nan 4.420 nan 0.000 0.265 452 P C -0.584 176.610 177.300 -0.177 0.000 1.222 452 P CA 0.722 63.439 63.100 -0.639 0.000 0.767 452 P CB 0.827 32.101 31.700 -0.711 0.000 0.801 453 A N 3.050 125.825 122.820 -0.076 0.000 2.398 453 A HA 0.414 4.734 4.320 0.000 0.000 0.301 453 A C -0.846 176.772 177.584 0.056 0.000 1.041 453 A CA -0.558 51.513 52.037 0.057 0.000 0.711 453 A CB 1.261 20.394 19.000 0.222 0.000 1.240 453 A HN 0.421 nan 8.150 nan 0.000 0.420 454 D N 2.208 122.631 120.400 0.039 0.000 2.485 454 D HA 0.127 4.767 4.640 0.000 0.000 0.221 454 D C 0.898 177.311 176.300 0.188 0.000 1.112 454 D CA -0.606 53.457 54.000 0.105 0.000 0.911 454 D CB 0.091 40.910 40.800 0.032 0.000 1.019 454 D HN 0.588 nan 8.370 nan 0.000 0.516 455 W N 4.322 125.637 121.300 0.026 0.000 2.277 455 W HA -0.314 4.346 4.660 0.000 0.000 0.327 455 W C 1.720 178.266 176.519 0.045 0.000 1.284 455 W CA 1.673 59.023 57.345 0.008 0.000 1.277 455 W CB -0.207 29.241 29.460 -0.020 0.000 1.141 455 W HN 0.470 nan 8.180 nan 0.000 0.482 456 I N -1.130 119.734 120.570 0.489 0.000 2.399 456 I HA -0.322 3.848 4.170 0.000 0.000 0.254 456 I C 1.740 177.956 176.117 0.166 0.000 1.146 456 I CA 1.554 63.076 61.300 0.371 0.000 1.412 456 I CB -0.670 37.578 38.000 0.413 0.000 1.076 456 I HN 0.146 nan 8.210 nan 0.000 0.432 457 W N -0.078 121.186 121.300 -0.059 0.000 2.762 457 W HA 0.168 4.828 4.660 0.000 0.000 0.265 457 W C 2.148 178.544 176.519 -0.204 0.000 1.263 457 W CA 0.116 57.400 57.345 -0.102 0.000 1.411 457 W CB -0.306 29.120 29.460 -0.057 0.000 1.065 457 W HN -0.069 nan 8.180 nan 0.000 0.609 458 L N 0.004 121.169 121.223 -0.098 0.000 2.395 458 L HA 0.028 4.369 4.340 0.000 0.000 0.218 458 L C 0.402 177.051 176.870 -0.368 0.000 1.130 458 L CA 0.360 55.020 54.840 -0.301 0.000 0.826 458 L CB -0.724 41.053 42.059 -0.470 0.000 0.941 458 L HN -0.381 nan 8.230 nan 0.000 0.451 459 V N 1.330 120.958 119.914 -0.477 0.000 2.385 459 V HA 0.209 4.329 4.120 0.000 0.000 0.269 459 V C -1.868 174.044 176.094 -0.302 0.000 1.043 459 V CA -1.531 60.481 62.300 -0.480 0.000 0.906 459 V CB 0.720 32.038 31.823 -0.842 0.000 0.995 459 V HN 0.023 nan 8.190 nan 0.000 0.467 460 P HA 0.041 nan 4.420 nan 0.000 0.267 460 P C -1.818 175.366 177.300 -0.193 0.000 1.195 460 P CA -0.756 62.237 63.100 -0.178 0.000 0.773 460 P CB 0.097 31.747 31.700 -0.082 0.000 0.837 461 P HA -0.037 nan 4.420 nan 0.000 0.242 461 P C -0.199 177.001 177.300 -0.167 0.000 1.197 461 P CA 0.866 63.850 63.100 -0.192 0.000 0.765 461 P CB 0.099 31.673 31.700 -0.209 0.000 0.936 462 V N -6.569 113.239 119.914 -0.178 0.000 3.147 462 V HA 0.525 4.645 4.120 0.000 0.000 0.306 462 V C 0.303 176.361 176.094 -0.060 0.000 1.209 462 V CA -1.024 61.199 62.300 -0.128 0.000 1.023 462 V CB 1.302 33.032 31.823 -0.156 0.000 1.059 462 V HN -0.137 nan 8.190 nan 0.000 0.435 463 S N 1.023 116.707 115.700 -0.027 0.000 3.581 463 S HA -0.197 4.273 4.470 0.000 0.000 0.354 463 S C 1.575 176.128 174.600 -0.078 0.000 1.059 463 S CA 1.202 59.399 58.200 -0.005 0.000 1.060 463 S CB -1.552 61.715 63.200 0.112 0.000 0.908 463 S HN 2.059 nan 8.310 nan 0.000 0.475 464 G N 2.587 111.301 108.800 -0.143 0.000 2.721 464 G HA2 -0.350 3.610 3.960 0.000 0.000 0.218 464 G HA3 -0.350 3.610 3.960 0.000 0.000 0.218 464 G C 1.493 176.141 174.900 -0.419 0.000 1.265 464 G CA 1.683 46.654 45.100 -0.215 0.000 0.796 464 G HN 1.343 nan 8.290 nan 0.000 0.620 465 S N 0.233 115.384 115.700 -0.916 0.000 2.547 465 S HA 0.035 4.505 4.470 0.000 0.000 0.235 465 S C 2.050 176.571 174.600 -0.131 0.000 0.980 465 S CA 0.863 58.434 58.200 -1.048 0.000 0.941 465 S CB -0.126 62.401 63.200 -1.120 0.000 0.763 465 S HN 0.240 nan 8.310 nan 0.000 0.532 466 I N 2.749 123.273 120.570 -0.076 0.000 3.059 466 I HA 0.037 4.207 4.170 0.000 0.000 0.270 466 I C 1.359 177.560 176.117 0.139 0.000 1.238 466 I CA 0.622 61.964 61.300 0.070 0.000 1.478 466 I CB -2.014 36.044 38.000 0.097 0.000 1.097 466 I HN 0.484 nan 8.210 nan 0.000 0.455 467 T N -0.593 114.020 114.554 0.099 0.000 2.909 467 T HA 0.294 4.644 4.350 0.000 0.000 0.286 467 T C -1.284 173.568 174.700 0.253 0.000 1.002 467 T CA -1.675 60.502 62.100 0.128 0.000 1.074 467 T CB 2.118 71.000 68.868 0.022 0.000 0.984 467 T HN -0.065 nan 8.240 nan 0.000 0.495 468 P HA -0.121 nan 4.420 nan 0.000 0.217 468 P C 1.903 179.401 177.300 0.330 0.000 1.150 468 P CA 1.348 64.630 63.100 0.303 0.000 0.832 468 P CB -0.363 31.456 31.700 0.198 0.000 0.787 469 V N -3.127 116.922 119.914 0.226 0.000 2.568 469 V HA -0.231 3.889 4.120 0.000 0.000 0.253 469 V C 2.378 178.563 176.094 0.151 0.000 1.072 469 V CA 1.511 63.913 62.300 0.170 0.000 1.084 469 V CB -2.307 29.532 31.823 0.025 0.000 0.676 469 V HN -0.101 nan 8.190 nan 0.000 0.469 470 F N 1.802 121.737 119.950 -0.025 0.000 2.161 470 F HA -0.174 4.353 4.527 0.000 0.000 0.300 470 F C 2.457 178.381 175.800 0.208 0.000 1.089 470 F CA 2.330 60.316 58.000 -0.023 0.000 1.282 470 F CB -0.312 38.565 39.000 -0.206 0.000 1.010 470 F HN 0.293 nan 8.300 nan 0.000 0.485 471 H N -0.937 118.422 119.070 0.482 0.000 2.539 471 H HA 0.076 4.632 4.556 0.000 0.000 0.267 471 H C 0.372 175.909 175.328 0.347 0.000 0.982 471 H CA 0.292 56.574 56.048 0.390 0.000 1.146 471 H CB -0.183 29.814 29.762 0.393 0.000 1.382 471 H HN 0.278 nan 8.280 nan 0.000 0.577 472 Q N 1.920 121.957 119.800 0.395 0.000 2.278 472 Q HA 0.138 4.478 4.340 0.000 0.000 0.257 472 Q C -0.564 175.613 176.000 0.296 0.000 0.928 472 Q CA -0.362 55.622 55.803 0.301 0.000 0.932 472 Q CB 0.824 29.718 28.738 0.260 0.000 1.221 472 Q HN 0.215 nan 8.270 nan 0.000 0.434 473 E N 3.537 123.862 120.200 0.208 0.000 2.373 473 E HA 0.249 4.599 4.350 0.000 0.000 0.267 473 E C -0.595 176.097 176.600 0.154 0.000 1.032 473 E CA 0.270 56.759 56.400 0.147 0.000 0.889 473 E CB 0.801 30.573 29.700 0.120 0.000 0.984 473 E HN 0.600 nan 8.360 nan 0.000 0.425 474 M N 2.301 122.000 119.600 0.165 0.000 2.550 474 M HA 0.347 4.827 4.480 0.000 0.000 0.292 474 M C -1.442 174.958 176.300 0.167 0.000 1.221 474 M CA -1.060 54.362 55.300 0.205 0.000 0.873 474 M CB 1.626 34.390 32.600 0.274 0.000 1.727 474 M HN 0.167 nan 8.290 nan 0.000 0.459 475 L N 2.498 123.845 121.223 0.206 0.000 2.319 475 L HA 0.442 4.782 4.340 0.000 0.000 0.281 475 L C -0.581 176.379 176.870 0.150 0.000 1.005 475 L CA -0.261 54.717 54.840 0.230 0.000 0.828 475 L CB 1.148 43.425 42.059 0.363 0.000 1.227 475 L HN 0.570 nan 8.230 nan 0.000 0.415 476 N N 3.913 122.684 118.700 0.118 0.000 2.609 476 N HA 0.367 5.107 4.740 0.000 0.000 0.234 476 N C -1.404 174.143 175.510 0.062 0.000 1.001 476 N CA -0.275 52.774 53.050 -0.002 0.000 0.926 476 N CB 0.200 38.712 38.487 0.041 0.000 1.130 476 N HN 0.368 nan 8.380 nan 0.000 0.510 477 Y N 0.121 120.443 120.300 0.037 0.000 2.570 477 Y HA 0.704 5.254 4.550 0.000 0.000 0.345 477 Y C -0.575 175.292 175.900 -0.054 0.000 1.014 477 Y CA -1.511 56.588 58.100 -0.002 0.000 1.063 477 Y CB 0.699 39.172 38.460 0.021 0.000 1.272 477 Y HN -0.065 nan 8.280 nan 0.000 0.477 478 V N 4.372 124.281 119.914 -0.008 0.000 2.364 478 V HA 0.296 4.416 4.120 0.000 0.000 0.272 478 V C 0.252 176.207 176.094 -0.232 0.000 1.036 478 V CA -0.421 61.658 62.300 -0.368 0.000 0.880 478 V CB 0.347 31.775 31.823 -0.658 0.000 0.991 478 V HN 0.757 nan 8.190 nan 0.000 0.460 479 L N 2.988 124.106 121.223 -0.176 0.000 2.902 479 L HA 0.737 5.077 4.340 0.000 0.000 0.229 479 L C 0.327 177.166 176.870 -0.052 0.000 1.324 479 L CA -0.467 54.362 54.840 -0.019 0.000 1.230 479 L CB 1.313 43.425 42.059 0.088 0.000 2.134 479 L HN 0.620 nan 8.230 nan 0.000 0.567 480 S N -1.116 114.608 115.700 0.041 0.000 2.543 480 S HA 0.484 4.954 4.470 0.000 0.000 0.273 480 S C -2.709 171.948 174.600 0.095 0.000 1.152 480 S CA -0.905 57.331 58.200 0.060 0.000 0.910 480 S CB 1.888 65.104 63.200 0.027 0.000 1.105 480 S HN 0.131 nan 8.310 nan 0.000 0.465 481 P HA 0.467 nan 4.420 nan 0.000 0.271 481 P C -1.274 176.023 177.300 -0.005 0.000 1.244 481 P CA -0.098 62.989 63.100 -0.022 0.000 0.793 481 P CB 0.264 31.885 31.700 -0.132 0.000 0.984 482 F N -0.121 119.647 119.950 -0.303 0.000 2.654 482 F HA 0.424 4.951 4.527 0.000 0.000 0.308 482 F C -1.584 173.912 175.800 -0.506 0.000 1.108 482 F CA -0.768 56.965 58.000 -0.446 0.000 0.957 482 F CB 1.177 39.886 39.000 -0.484 0.000 1.309 482 F HN 0.153 nan 8.300 nan 0.000 0.446 483 Y N 4.323 124.130 120.300 -0.822 0.000 2.434 483 Y HA 0.417 4.967 4.550 0.000 0.000 0.341 483 Y C -0.889 174.654 175.900 -0.594 0.000 0.965 483 Y CA -0.687 57.119 58.100 -0.490 0.000 1.205 483 Y CB 0.116 38.314 38.460 -0.437 0.000 1.121 483 Y HN 0.360 nan 8.280 nan 0.000 0.507 484 Y N 1.088 121.411 120.300 0.039 0.000 2.432 484 Y HA 0.386 4.936 4.550 0.000 0.000 0.322 484 Y C -0.165 175.716 175.900 -0.032 0.000 1.246 484 Y CA -1.029 57.099 58.100 0.047 0.000 1.268 484 Y CB 0.788 39.351 38.460 0.170 0.000 1.276 484 Y HN 0.397 nan 8.280 nan 0.000 0.499 485 Y N 0.409 120.869 120.300 0.267 0.000 2.334 485 Y HA 0.359 4.909 4.550 0.000 0.000 0.325 485 Y C 0.143 176.107 175.900 0.107 0.000 1.308 485 Y CA -0.774 57.403 58.100 0.129 0.000 1.389 485 Y CB 0.625 39.133 38.460 0.080 0.000 1.328 485 Y HN 0.437 nan 8.280 nan 0.000 0.532 486 Q N 0.231 120.161 119.800 0.217 0.000 2.587 486 Q HA 0.478 4.818 4.340 0.000 0.000 0.293 486 Q C -1.384 174.601 176.000 -0.025 0.000 1.083 486 Q CA -1.214 54.633 55.803 0.074 0.000 0.792 486 Q CB 2.469 31.226 28.738 0.032 0.000 1.484 486 Q HN 0.344 nan 8.270 nan 0.000 0.446 487 I N 1.574 122.089 120.570 -0.092 0.000 2.474 487 I HA 0.086 4.256 4.170 0.000 0.000 0.287 487 I C 0.257 176.172 176.117 -0.338 0.000 1.048 487 I CA 0.024 61.216 61.300 -0.179 0.000 1.383 487 I CB 0.739 38.647 38.000 -0.154 0.000 1.412 487 I HN 0.622 nan 8.210 nan 0.000 0.531 488 E N 8.320 128.214 120.200 -0.510 0.000 2.614 488 E HA -0.048 4.302 4.350 0.000 0.000 0.245 488 E C -1.243 174.721 176.600 -1.060 0.000 1.039 488 E CA -0.882 54.920 56.400 -0.997 0.000 0.948 488 E CB 0.396 29.239 29.700 -1.429 0.000 0.937 488 E HN 0.389 nan 8.360 nan 0.000 0.498 489 P HA -0.234 nan 4.420 nan 0.000 0.217 489 P C 0.994 177.847 177.300 -0.744 0.000 1.158 489 P CA 1.697 64.297 63.100 -0.833 0.000 0.887 489 P CB -0.250 30.741 31.700 -1.181 0.000 0.792 490 W N 0.922 121.724 121.300 -0.831 0.000 2.480 490 W HA 0.016 4.676 4.660 0.000 0.000 0.257 490 W C 1.735 178.297 176.519 0.073 0.000 1.235 490 W CA 0.634 57.821 57.345 -0.263 0.000 1.218 490 W CB -1.402 28.032 29.460 -0.044 0.000 1.131 490 W HN -0.038 nan 8.180 nan 0.000 0.606 491 K N 0.323 120.563 120.400 -0.266 0.000 2.128 491 K HA 0.025 4.345 4.320 0.000 0.000 0.202 491 K C 0.767 177.373 176.600 0.010 0.000 1.050 491 K CA 1.472 57.704 56.287 -0.093 0.000 0.966 491 K CB -0.223 32.138 32.500 -0.233 0.000 0.759 491 K HN 0.129 nan 8.250 nan 0.000 0.454 492 T N -0.688 113.844 114.554 -0.038 0.000 3.331 492 T HA 0.255 4.605 4.350 0.000 0.000 0.381 492 T C -1.130 173.638 174.700 0.113 0.000 1.656 492 T CA -0.785 61.333 62.100 0.030 0.000 1.453 492 T CB 0.148 69.000 68.868 -0.027 0.000 1.066 492 T HN 0.093 nan 8.240 nan 0.000 0.655 493 H N 2.772 121.897 119.070 0.092 0.000 2.934 493 H HA 0.450 5.006 4.556 0.000 0.000 0.340 493 H C 0.184 175.596 175.328 0.140 0.000 1.008 493 H CA -1.333 54.758 56.048 0.070 0.000 1.317 493 H CB 1.098 30.876 29.762 0.027 0.000 1.670 493 H HN 0.639 nan 8.280 nan 0.000 0.516 494 I N 1.627 121.951 120.570 -0.410 0.000 2.532 494 I HA 0.132 4.302 4.170 0.000 0.000 0.302 494 I C -0.548 175.374 176.117 -0.325 0.000 1.176 494 I CA -0.400 60.750 61.300 -0.249 0.000 1.975 494 I CB -0.691 37.197 38.000 -0.185 0.000 1.536 494 I HN 0.379 nan 8.210 nan 0.000 0.919 495 W N 4.196 125.388 121.300 -0.181 0.000 2.613 495 W HA 0.231 4.891 4.660 0.000 0.000 0.342 495 W C 1.278 177.787 176.519 -0.016 0.000 1.416 495 W CA 0.894 58.237 57.345 -0.004 0.000 1.335 495 W CB -0.091 29.447 29.460 0.130 0.000 1.396 495 W HN 0.696 nan 8.180 nan 0.000 0.572 496 Q N 2.756 122.650 119.800 0.157 0.000 2.870 496 Q HA 0.244 4.584 4.340 0.000 0.000 0.193 496 Q C 0.952 177.039 176.000 0.145 0.000 1.148 496 Q CA 0.524 56.392 55.803 0.107 0.000 1.212 496 Q CB -0.829 27.941 28.738 0.054 0.000 1.290 496 Q HN 0.783 nan 8.270 nan 0.000 0.686 497 N N 0.000 118.754 118.700 0.090 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.095 53.050 0.076 0.000 0.885 497 N CB 0.000 38.515 38.487 0.047 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667