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 3lo7_1_A DATA FIRST_RESID 45 DATA SEQUENCE LDEYSRQRGQ ITAGGQLLAY SVATDGRFRF LRVYPNPEVY APVTGFYSLR DATA SEQUENCE YSSTALERAE DPILNGSDRR LXXXXXXXXX XXXXXRGGNV DTTINPRIQQ DATA SEQUENCE AGWDAMQQGc YGPcKGAVVA LEPSTGKILA LVSSPSYDPN LLASHNPEVQ DATA SEQUENCE AQAWQRLGDN PASPLTNRAI SETYPPGSTF KVITTAAALA AGATETEQLT DATA SEQUENCE AAPTIPXXXX XXXLENYXXX PcGDEPTVSL REAFVKScNT AFVQLGIRTG DATA SEQUENCE ADALRSMARA FGLDSPPRPT PLQVAESTVG PIPDSAALGM TSIGQKDVAL DATA SEQUENCE TPLANAEIAA TIANGGITMR PYLVGSLKGP DLANISTTVG YQQRRAVSPQ DATA SEQUENCE VAAKLTELMV GAEKVAQQKG AIPGVQIASK TGTAEHGTDP RHTPPHAWYI DATA SEQUENCE AFAPAQAPKV AVAVLVENGA DRLSATGGAL AAPIGRAVIE AALQ 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 45 L HA 0.000 nan 4.340 nan 0.000 0.249 45 L C 0.000 176.996 176.870 0.210 0.000 1.165 45 L CA 0.000 54.947 54.840 0.177 0.000 0.813 45 L CB 0.000 42.044 42.059 -0.024 0.000 0.961 46 D N 0.573 121.086 120.400 0.189 0.000 2.103 46 D HA -0.151 4.494 4.640 0.008 0.000 0.199 46 D C 1.871 178.286 176.300 0.192 0.000 0.978 46 D CA 1.800 55.892 54.000 0.153 0.000 0.829 46 D CB 0.288 41.149 40.800 0.103 0.000 0.981 46 D HN 0.594 nan 8.370 nan 0.000 0.464 47 E N -0.981 119.353 120.200 0.223 0.000 2.130 47 E HA -0.257 4.098 4.350 0.008 0.000 0.196 47 E C 1.378 178.077 176.600 0.165 0.000 0.998 47 E CA 1.067 57.570 56.400 0.172 0.000 0.806 47 E CB -0.688 29.121 29.700 0.181 0.000 0.738 47 E HN 0.447 nan 8.360 nan 0.000 0.459 48 Y N 1.382 121.853 120.300 0.284 0.000 2.490 48 Y HA 0.084 4.638 4.550 0.005 0.000 0.281 48 Y C 2.095 178.269 175.900 0.457 0.000 1.174 48 Y CA 0.682 59.013 58.100 0.385 0.000 1.295 48 Y CB 0.476 39.210 38.460 0.456 0.000 1.062 48 Y HN 0.197 nan 8.280 nan 0.000 0.522 49 S N -1.107 114.853 115.700 0.433 0.000 2.535 49 S HA 0.218 4.693 4.470 0.008 0.000 0.214 49 S C 0.654 175.507 174.600 0.421 0.000 0.980 49 S CA -0.383 58.059 58.200 0.403 0.000 0.907 49 S CB 0.186 63.520 63.200 0.223 0.000 0.790 49 S HN 0.156 nan 8.310 nan 0.000 0.510 50 R N 1.349 121.964 120.500 0.191 0.000 2.604 50 R HA 0.358 4.704 4.340 0.008 0.000 0.287 50 R C -0.563 175.337 176.300 -0.667 0.000 0.970 50 R CA -0.497 55.545 56.100 -0.096 0.000 0.946 50 R CB 1.098 31.347 30.300 -0.086 0.000 1.127 50 R HN 0.318 nan 8.270 nan 0.000 0.473 51 Q N 3.532 122.729 119.800 -1.005 0.000 2.348 51 Q HA 0.036 4.381 4.340 0.008 0.000 0.251 51 Q C -0.311 175.325 176.000 -0.607 0.000 1.113 51 Q CA -0.069 54.924 55.803 -1.350 0.000 0.902 51 Q CB 0.513 28.707 28.738 -0.906 0.000 1.333 51 Q HN 0.325 nan 8.270 nan 0.000 0.457 52 R N 2.567 122.754 120.500 -0.522 0.000 2.638 52 R HA 0.041 4.386 4.340 0.008 0.000 0.268 52 R C 0.214 176.355 176.300 -0.265 0.000 1.006 52 R CA 0.573 56.456 56.100 -0.360 0.000 1.088 52 R CB 0.353 30.407 30.300 -0.411 0.000 0.950 52 R HN 0.765 nan 8.270 nan 0.000 0.419 53 G N 2.300 110.975 108.800 -0.209 0.000 2.611 53 G HA2 0.072 4.037 3.960 0.008 0.000 0.273 53 G HA3 0.072 4.037 3.960 0.008 0.000 0.273 53 G C -0.796 174.038 174.900 -0.111 0.000 1.305 53 G CA -0.521 44.495 45.100 -0.140 0.000 1.010 53 G HN 0.657 nan 8.290 nan 0.000 0.509 54 Q N -1.229 118.529 119.800 -0.070 0.000 2.214 54 Q HA 0.531 4.876 4.340 0.008 0.000 0.251 54 Q C -0.627 175.346 176.000 -0.045 0.000 0.936 54 Q CA -0.359 55.420 55.803 -0.040 0.000 0.894 54 Q CB 2.384 31.107 28.738 -0.025 0.000 1.252 54 Q HN 0.372 nan 8.270 nan 0.000 0.448 55 I N 1.554 122.103 120.570 -0.034 0.000 2.378 55 I HA 0.343 4.518 4.170 0.008 0.000 0.291 55 I C -0.027 176.065 176.117 -0.041 0.000 0.992 55 I CA -0.450 60.834 61.300 -0.027 0.000 1.154 55 I CB 1.716 39.713 38.000 -0.004 0.000 1.315 55 I HN 0.685 nan 8.210 nan 0.000 0.448 56 T N 2.553 117.080 114.554 -0.045 0.000 2.916 56 T HA 0.906 5.261 4.350 0.008 0.000 0.292 56 T C -0.792 173.870 174.700 -0.063 0.000 1.064 56 T CA -0.941 61.119 62.100 -0.067 0.000 1.011 56 T CB 2.290 71.125 68.868 -0.055 0.000 1.152 56 T HN 0.706 nan 8.240 nan 0.000 0.510 57 A N 0.058 122.828 122.820 -0.083 0.000 2.442 57 A HA 0.766 5.091 4.320 0.008 0.000 0.284 57 A C 0.763 178.327 177.584 -0.034 0.000 1.058 57 A CA -0.193 51.817 52.037 -0.045 0.000 0.738 57 A CB 0.406 19.385 19.000 -0.035 0.000 1.242 57 A HN 2.436 nan 8.150 nan 0.000 0.421 58 G N 1.178 109.972 108.800 -0.011 0.000 2.305 58 G HA2 0.156 4.121 3.960 0.008 0.000 0.287 58 G HA3 0.156 4.121 3.960 0.008 0.000 0.287 58 G C 1.700 176.590 174.900 -0.017 0.000 1.036 58 G CA 1.462 46.559 45.100 -0.004 0.000 0.887 58 G HN 2.896 nan 8.290 nan 0.000 0.505 59 G N -2.035 106.748 108.800 -0.028 0.000 2.184 59 G HA2 -0.283 3.682 3.960 0.008 0.000 0.264 59 G HA3 -0.283 3.682 3.960 0.008 0.000 0.264 59 G C 0.334 175.201 174.900 -0.054 0.000 0.975 59 G CA 1.204 46.282 45.100 -0.037 0.000 0.642 59 G HN 1.115 nan 8.290 nan 0.000 0.536 60 Q N -0.474 119.287 119.800 -0.066 0.000 2.222 60 Q HA 0.673 5.018 4.340 0.008 0.000 0.252 60 Q C 0.407 176.334 176.000 -0.122 0.000 0.926 60 Q CA -0.726 55.022 55.803 -0.092 0.000 0.899 60 Q CB 1.437 30.119 28.738 -0.094 0.000 1.250 60 Q HN 0.359 nan 8.270 nan 0.000 0.441 61 L N 3.216 124.367 121.223 -0.121 0.000 2.305 61 L HA 0.161 4.506 4.340 0.008 0.000 0.281 61 L C 0.799 177.599 176.870 -0.116 0.000 1.085 61 L CA -0.058 54.726 54.840 -0.094 0.000 0.813 61 L CB 0.483 42.488 42.059 -0.090 0.000 1.157 61 L HN 0.619 nan 8.230 nan 0.000 0.436 62 L N 2.819 123.966 121.223 -0.127 0.000 2.425 62 L HA 0.405 4.750 4.340 0.008 0.000 0.215 62 L C 0.636 177.501 176.870 -0.009 0.000 1.065 62 L CA 0.228 54.964 54.840 -0.174 0.000 0.842 62 L CB 0.229 42.156 42.059 -0.220 0.000 1.033 62 L HN 0.716 nan 8.230 nan 0.000 0.474 63 A N -0.186 122.628 122.820 -0.010 0.000 2.540 63 A HA 0.623 4.948 4.320 0.008 0.000 0.297 63 A C -1.686 175.878 177.584 -0.033 0.000 1.056 63 A CA -0.382 51.562 52.037 -0.155 0.000 0.700 63 A CB 1.113 20.006 19.000 -0.177 0.000 1.280 63 A HN 0.204 nan 8.150 nan 0.000 0.398 64 Y N -1.048 119.105 120.300 -0.245 0.000 2.655 64 Y HA 0.871 5.426 4.550 0.008 0.000 0.336 64 Y C -0.375 175.445 175.900 -0.133 0.000 1.154 64 Y CA -1.267 56.737 58.100 -0.160 0.000 1.055 64 Y CB 0.920 39.317 38.460 -0.105 0.000 1.295 64 Y HN 0.486 nan 8.280 nan 0.000 0.465 65 S N 0.804 116.525 115.700 0.034 0.000 2.503 65 S HA 0.767 5.242 4.470 0.008 0.000 0.301 65 S C -1.281 173.499 174.600 0.301 0.000 1.087 65 S CA -0.719 57.525 58.200 0.073 0.000 1.042 65 S CB 1.715 64.945 63.200 0.050 0.000 1.043 65 S HN 0.555 nan 8.310 nan 0.000 0.489 66 V N 2.352 122.444 119.914 0.297 0.000 2.555 66 V HA 0.671 4.796 4.120 0.008 0.000 0.302 66 V C 0.205 176.409 176.094 0.183 0.000 1.038 66 V CA -0.999 61.469 62.300 0.280 0.000 0.887 66 V CB 1.628 33.542 31.823 0.151 0.000 0.991 66 V HN 1.004 nan 8.190 nan 0.000 0.434 67 A N 3.615 126.442 122.820 0.012 0.000 2.451 67 A HA 0.621 4.946 4.320 0.008 0.000 0.266 67 A C 0.542 177.982 177.584 -0.240 0.000 1.119 67 A CA 0.425 52.168 52.037 -0.490 0.000 0.786 67 A CB -0.004 18.779 19.000 -0.361 0.000 1.061 67 A HN 1.072 nan 8.150 nan 0.000 0.503 68 T N -1.049 113.353 114.554 -0.253 0.000 2.773 68 T HA 0.516 4.871 4.350 0.008 0.000 0.278 68 T C 0.220 174.863 174.700 -0.095 0.000 1.011 68 T CA 0.065 62.096 62.100 -0.115 0.000 1.014 68 T CB 1.381 70.207 68.868 -0.070 0.000 1.293 68 T HN 0.516 nan 8.240 nan 0.000 0.554 69 D N -0.465 119.908 120.400 -0.046 0.000 2.328 69 D HA 0.175 4.820 4.640 0.008 0.000 0.226 69 D C 1.072 177.372 176.300 0.000 0.000 1.066 69 D CA -0.300 53.682 54.000 -0.029 0.000 0.861 69 D CB -0.858 39.930 40.800 -0.020 0.000 0.912 69 D HN 0.793 nan 8.370 nan 0.000 0.521 70 G N 0.811 109.636 108.800 0.042 0.000 2.491 70 G HA2 0.024 3.989 3.960 0.008 0.000 0.242 70 G HA3 0.024 3.989 3.960 0.008 0.000 0.242 70 G C 0.854 175.792 174.900 0.064 0.000 1.266 70 G CA -0.502 44.674 45.100 0.126 0.000 0.844 70 G HN 0.126 nan 8.290 nan 0.000 0.571 71 R N 1.062 121.563 120.500 0.001 0.000 2.133 71 R HA -0.163 4.182 4.340 0.008 0.000 0.245 71 R C 0.330 176.451 176.300 -0.299 0.000 1.137 71 R CA 1.199 57.181 56.100 -0.196 0.000 0.947 71 R CB -0.316 29.794 30.300 -0.316 0.000 0.865 71 R HN 0.440 nan 8.270 nan 0.000 0.437 72 F N 0.731 120.658 119.950 -0.037 0.000 2.421 72 F HA 0.246 4.776 4.527 0.004 0.000 0.358 72 F C 1.439 177.359 175.800 0.199 0.000 1.115 72 F CA -0.375 57.616 58.000 -0.015 0.000 1.160 72 F CB 1.019 39.719 39.000 -0.500 0.000 1.123 72 F HN -0.068 nan 8.300 nan 0.000 0.508 73 R N 1.936 122.631 120.500 0.325 0.000 2.092 73 R HA -0.029 4.316 4.340 0.008 0.000 0.231 73 R C -0.179 176.104 176.300 -0.029 0.000 1.119 73 R CA 1.010 57.148 56.100 0.063 0.000 0.970 73 R CB 0.013 30.257 30.300 -0.094 0.000 0.864 73 R HN 0.359 nan 8.270 nan 0.000 0.440 74 F N 0.691 120.883 119.950 0.402 0.000 2.411 74 F HA 0.252 4.783 4.527 0.007 0.000 0.352 74 F C -0.131 175.911 175.800 0.404 0.000 1.123 74 F CA -1.093 57.092 58.000 0.309 0.000 1.044 74 F CB 1.287 40.411 39.000 0.207 0.000 1.135 74 F HN -0.129 nan 8.300 nan 0.000 0.461 75 L N 4.713 126.108 121.223 0.288 0.000 2.275 75 L HA 0.521 4.866 4.340 0.008 0.000 0.288 75 L C -0.122 176.810 176.870 0.105 0.000 1.046 75 L CA -0.578 54.316 54.840 0.090 0.000 0.805 75 L CB 0.749 42.711 42.059 -0.161 0.000 1.193 75 L HN 0.473 nan 8.230 nan 0.000 0.426 76 R N 3.252 123.848 120.500 0.160 0.000 2.347 76 R HA 0.557 4.902 4.340 0.008 0.000 0.304 76 R C -1.394 174.741 176.300 -0.275 0.000 1.072 76 R CA -0.050 56.021 56.100 -0.048 0.000 0.980 76 R CB 0.513 30.905 30.300 0.153 0.000 0.986 76 R HN 0.530 nan 8.270 nan 0.000 0.448 77 V N 6.010 125.541 119.914 -0.638 0.000 2.604 77 V HA 0.387 4.512 4.120 0.008 0.000 0.305 77 V C -1.125 174.479 176.094 -0.816 0.000 1.043 77 V CA -0.731 61.175 62.300 -0.658 0.000 0.888 77 V CB 1.687 32.999 31.823 -0.851 0.000 0.995 77 V HN 0.653 nan 8.190 nan 0.000 0.429 78 Y N 5.333 125.544 120.300 -0.148 0.000 2.447 78 Y HA 0.398 4.953 4.550 0.007 0.000 0.325 78 Y C -1.740 174.143 175.900 -0.027 0.000 0.976 78 Y CA -2.113 55.949 58.100 -0.064 0.000 1.280 78 Y CB 1.764 40.205 38.460 -0.032 0.000 1.104 78 Y HN 0.483 nan 8.280 nan 0.000 0.486 79 P HA -0.066 nan 4.420 nan 0.000 0.225 79 P C 0.204 177.559 177.300 0.091 0.000 1.156 79 P CA 1.057 64.226 63.100 0.115 0.000 0.787 79 P CB 0.630 32.427 31.700 0.162 0.000 0.802 80 N N -0.323 118.439 118.700 0.104 0.000 2.791 80 N HA 0.154 4.899 4.740 0.008 0.000 0.265 80 N C -1.959 173.598 175.510 0.078 0.000 1.580 80 N CA -2.055 51.063 53.050 0.113 0.000 0.809 80 N CB 0.810 39.433 38.487 0.227 0.000 1.178 80 N HN -0.090 nan 8.380 nan 0.000 0.499 81 P HA -0.056 nan 4.420 nan 0.000 0.215 81 P C 0.798 177.923 177.300 -0.291 0.000 1.157 81 P CA 1.171 64.219 63.100 -0.087 0.000 0.859 81 P CB 0.749 32.408 31.700 -0.068 0.000 0.786 82 E N -0.184 119.784 120.200 -0.387 0.000 2.106 82 E HA -0.071 4.284 4.350 0.008 0.000 0.192 82 E C 2.154 178.180 176.600 -0.956 0.000 0.984 82 E CA 0.829 56.868 56.400 -0.602 0.000 0.806 82 E CB -0.537 28.872 29.700 -0.484 0.000 0.750 82 E HN 0.001 nan 8.360 nan 0.000 0.458 83 V N 0.444 119.715 119.914 -1.072 0.000 2.332 83 V HA -0.258 3.867 4.120 0.008 0.000 0.248 83 V C 1.467 177.070 176.094 -0.818 0.000 1.055 83 V CA 1.792 63.387 62.300 -1.175 0.000 1.038 83 V CB -0.496 30.757 31.823 -0.950 0.000 0.651 83 V HN 0.304 nan 8.190 nan 0.000 0.450 84 Y N -0.879 119.229 120.300 -0.319 0.000 2.467 84 Y HA 0.522 5.077 4.550 0.008 0.000 0.250 84 Y C 2.092 177.894 175.900 -0.163 0.000 1.155 84 Y CA 0.226 58.225 58.100 -0.168 0.000 1.249 84 Y CB -0.365 38.047 38.460 -0.080 0.000 1.146 84 Y HN 0.111 nan 8.280 nan 0.000 0.524 85 A N 1.288 123.992 122.820 -0.194 0.000 1.917 85 A HA -0.183 4.142 4.320 0.008 0.000 0.219 85 A C -0.297 177.265 177.584 -0.037 0.000 1.182 85 A CA 1.765 53.647 52.037 -0.259 0.000 0.633 85 A CB -1.581 17.000 19.000 -0.697 0.000 0.819 85 A HN 0.261 nan 8.150 nan 0.000 0.448 86 P HA -0.055 nan 4.420 nan 0.000 0.222 86 P C 1.369 178.708 177.300 0.065 0.000 1.147 86 P CA 1.035 64.171 63.100 0.061 0.000 0.790 86 P CB 0.053 31.781 31.700 0.048 0.000 0.780 87 V N -0.682 119.275 119.914 0.072 0.000 2.436 87 V HA -0.125 4.001 4.120 0.008 0.000 0.240 87 V C 2.583 178.734 176.094 0.095 0.000 1.040 87 V CA 2.329 64.686 62.300 0.095 0.000 1.052 87 V CB -1.711 30.199 31.823 0.145 0.000 0.707 87 V HN 0.219 nan 8.190 nan 0.000 0.469 88 T N -1.799 112.823 114.554 0.113 0.000 2.812 88 T HA 0.240 4.595 4.350 0.008 0.000 0.264 88 T C 1.379 176.145 174.700 0.111 0.000 1.042 88 T CA 1.171 63.354 62.100 0.140 0.000 1.140 88 T CB -0.373 68.641 68.868 0.243 0.000 0.870 88 T HN 1.138 nan 8.240 nan 0.000 0.445 89 G N 1.960 110.805 108.800 0.075 0.000 2.601 89 G HA2 -0.001 3.964 3.960 0.008 0.000 0.252 89 G HA3 -0.001 3.964 3.960 0.008 0.000 0.252 89 G C -0.368 174.592 174.900 0.100 0.000 1.294 89 G CA -0.118 45.030 45.100 0.081 0.000 0.912 89 G HN 1.266 nan 8.290 nan 0.000 0.574 90 F N -2.237 117.806 119.950 0.155 0.000 2.598 90 F HA 0.828 5.360 4.527 0.008 0.000 0.327 90 F C -0.605 175.389 175.800 0.324 0.000 1.057 90 F CA -2.085 56.005 58.000 0.150 0.000 0.957 90 F CB 1.771 40.866 39.000 0.159 0.000 1.278 90 F HN 0.823 nan 8.300 nan 0.000 0.484 91 Y N 1.461 122.073 120.300 0.521 0.000 2.327 91 Y HA 0.596 5.149 4.550 0.005 0.000 0.325 91 Y C -1.103 175.074 175.900 0.461 0.000 0.999 91 Y CA -0.872 57.451 58.100 0.372 0.000 1.195 91 Y CB 1.311 39.923 38.460 0.254 0.000 1.132 91 Y HN 0.916 nan 8.280 nan 0.000 0.455 92 S N 6.138 121.909 115.700 0.117 0.000 2.521 92 S HA 0.427 4.902 4.470 0.008 0.000 0.295 92 S C 0.611 175.115 174.600 -0.159 0.000 1.098 92 S CA -0.695 57.557 58.200 0.086 0.000 0.999 92 S CB 1.003 64.343 63.200 0.233 0.000 1.034 92 S HN 0.923 nan 8.310 nan 0.000 0.483 93 L N 3.593 124.666 121.223 -0.250 0.000 1.971 93 L HA -0.107 4.238 4.340 0.008 0.000 0.215 93 L C 2.849 179.488 176.870 -0.385 0.000 1.072 93 L CA 1.635 56.197 54.840 -0.463 0.000 0.758 93 L CB -0.282 41.341 42.059 -0.728 0.000 0.889 93 L HN 0.725 nan 8.230 nan 0.000 0.433 94 R N -1.315 118.941 120.500 -0.407 0.000 2.100 94 R HA -0.099 4.246 4.340 0.008 0.000 0.220 94 R C 1.380 177.231 176.300 -0.749 0.000 1.091 94 R CA 1.068 56.790 56.100 -0.631 0.000 0.986 94 R CB 0.128 29.905 30.300 -0.872 0.000 0.888 94 R HN 0.345 nan 8.270 nan 0.000 0.444 95 Y N -0.361 119.774 120.300 -0.275 0.000 2.584 95 Y HA 0.239 4.795 4.550 0.010 0.000 0.254 95 Y C 0.836 176.724 175.900 -0.020 0.000 1.177 95 Y CA 0.195 58.109 58.100 -0.311 0.000 1.216 95 Y CB 0.671 38.722 38.460 -0.680 0.000 1.172 95 Y HN 0.068 nan 8.280 nan 0.000 0.529 96 S N 0.494 116.227 115.700 0.055 0.000 3.790 96 S HA -0.238 4.237 4.470 0.008 0.000 0.628 96 S C 0.157 174.832 174.600 0.125 0.000 2.348 96 S CA 0.945 59.176 58.200 0.052 0.000 3.927 96 S CB -1.394 61.824 63.200 0.029 0.000 0.236 96 S HN 0.733 nan 8.310 nan 0.000 0.953 97 S N 0.133 115.834 115.700 0.001 0.000 2.627 97 S HA 0.858 5.333 4.470 0.008 0.000 0.283 97 S C -0.500 173.881 174.600 -0.366 0.000 1.127 97 S CA 0.447 58.552 58.200 -0.158 0.000 0.863 97 S CB 1.915 65.183 63.200 0.114 0.000 1.121 97 S HN 1.870 nan 8.310 nan 0.000 0.479 98 T N -2.235 112.027 114.554 -0.487 0.000 2.804 98 T HA 0.873 5.229 4.350 0.008 0.000 0.290 98 T C 0.793 175.411 174.700 -0.136 0.000 1.099 98 T CA -0.157 61.750 62.100 -0.323 0.000 1.011 98 T CB 0.590 69.195 68.868 -0.438 0.000 1.291 98 T HN 2.347 nan 8.240 nan 0.000 0.523 99 A N 0.568 123.354 122.820 -0.056 0.000 5.476 99 A HA -0.207 4.118 4.320 0.008 0.000 0.327 99 A C 1.620 179.209 177.584 0.010 0.000 1.778 99 A CA 1.642 53.680 52.037 0.002 0.000 0.721 99 A CB -1.962 17.058 19.000 0.033 0.000 1.388 99 A HN 1.169 nan 8.150 nan 0.000 0.397 100 L N -0.101 121.140 121.223 0.030 0.000 2.217 100 L HA -0.109 4.236 4.340 0.008 0.000 0.211 100 L C 2.566 179.446 176.870 0.017 0.000 1.107 100 L CA 1.477 56.334 54.840 0.029 0.000 0.783 100 L CB -0.560 41.523 42.059 0.040 0.000 0.919 100 L HN 0.688 nan 8.230 nan 0.000 0.442 101 E N 0.055 120.274 120.200 0.031 0.000 2.110 101 E HA -0.246 4.109 4.350 0.008 0.000 0.193 101 E C 2.142 178.750 176.600 0.012 0.000 0.988 101 E CA 1.063 57.478 56.400 0.025 0.000 0.804 101 E CB -0.018 29.753 29.700 0.118 0.000 0.745 101 E HN 0.448 nan 8.360 nan 0.000 0.458 102 R N 0.314 120.817 120.500 0.005 0.000 2.066 102 R HA 0.050 4.395 4.340 0.008 0.000 0.224 102 R C 2.295 178.597 176.300 0.004 0.000 1.122 102 R CA 1.014 57.118 56.100 0.006 0.000 0.974 102 R CB -0.112 30.177 30.300 -0.018 0.000 0.871 102 R HN 0.087 nan 8.270 nan 0.000 0.435 103 A N 0.878 123.700 122.820 0.003 0.000 1.933 103 A HA -0.099 4.226 4.320 0.008 0.000 0.218 103 A C 1.287 178.872 177.584 0.002 0.000 1.175 103 A CA 1.335 53.377 52.037 0.008 0.000 0.628 103 A CB -0.081 18.928 19.000 0.016 0.000 0.814 103 A HN 0.312 nan 8.150 nan 0.000 0.444 104 E N -0.373 119.823 120.200 -0.007 0.000 2.499 104 E HA 0.055 4.410 4.350 0.008 0.000 0.199 104 E C 0.412 176.987 176.600 -0.042 0.000 1.016 104 E CA 0.079 56.468 56.400 -0.019 0.000 0.933 104 E CB 0.011 29.699 29.700 -0.019 0.000 1.050 104 E HN 0.576 nan 8.360 nan 0.000 0.462 105 D N 1.600 121.978 120.400 -0.037 0.000 2.133 105 D HA -0.160 4.485 4.640 0.008 0.000 0.192 105 D C -0.900 175.364 176.300 -0.060 0.000 1.001 105 D CA 1.555 55.522 54.000 -0.055 0.000 0.844 105 D CB -0.423 40.371 40.800 -0.010 0.000 0.944 105 D HN 0.137 nan 8.370 nan 0.000 0.447 106 P HA -0.114 nan 4.420 nan 0.000 0.215 106 P C 1.583 178.853 177.300 -0.049 0.000 1.153 106 P CA 0.845 63.924 63.100 -0.035 0.000 0.853 106 P CB 0.026 31.714 31.700 -0.020 0.000 0.788 107 I N -1.136 119.405 120.570 -0.049 0.000 2.142 107 I HA -0.189 3.986 4.170 0.008 0.000 0.240 107 I C 2.382 178.450 176.117 -0.080 0.000 1.078 107 I CA 1.625 62.892 61.300 -0.054 0.000 1.343 107 I CB -1.461 36.514 38.000 -0.041 0.000 1.046 107 I HN -0.046 nan 8.210 nan 0.000 0.405 108 L N 1.302 122.463 121.223 -0.103 0.000 2.083 108 L HA -0.223 4.122 4.340 0.008 0.000 0.209 108 L C 2.005 178.763 176.870 -0.187 0.000 1.083 108 L CA 1.673 56.422 54.840 -0.152 0.000 0.752 108 L CB -0.782 41.163 42.059 -0.190 0.000 0.899 108 L HN 0.437 nan 8.230 nan 0.000 0.433 109 N N -0.083 118.516 118.700 -0.167 0.000 2.412 109 N HA 0.014 4.759 4.740 0.008 0.000 0.184 109 N C 1.291 176.735 175.510 -0.110 0.000 1.101 109 N CA 0.882 53.837 53.050 -0.159 0.000 0.881 109 N CB 0.349 38.758 38.487 -0.129 0.000 0.969 109 N HN 0.245 nan 8.380 nan 0.000 0.459 110 G N -0.705 108.040 108.800 -0.092 0.000 2.176 110 G HA2 -0.334 3.631 3.960 0.008 0.000 0.253 110 G HA3 -0.334 3.631 3.960 0.008 0.000 0.253 110 G C 0.959 175.831 174.900 -0.046 0.000 0.979 110 G CA 0.698 45.756 45.100 -0.070 0.000 0.641 110 G HN 0.771 nan 8.290 nan 0.000 0.530 111 S N -0.354 115.322 115.700 -0.041 0.000 2.501 111 S HA 0.180 4.655 4.470 0.008 0.000 0.220 111 S C 0.701 175.289 174.600 -0.020 0.000 0.997 111 S CA 0.791 58.976 58.200 -0.025 0.000 0.919 111 S CB 0.229 63.419 63.200 -0.017 0.000 0.778 111 S HN 0.533 nan 8.310 nan 0.000 0.523 112 D N 1.752 122.137 120.400 -0.025 0.000 2.533 112 D HA 0.001 4.646 4.640 0.008 0.000 0.236 112 D C 1.017 177.307 176.300 -0.017 0.000 1.137 112 D CA 0.191 54.179 54.000 -0.020 0.000 0.867 112 D CB 0.561 41.347 40.800 -0.023 0.000 1.170 112 D HN 0.265 nan 8.370 nan 0.000 0.474 113 R N 2.826 123.319 120.500 -0.012 0.000 2.127 113 R HA -0.146 4.199 4.340 0.008 0.000 0.238 113 R C 2.163 178.456 176.300 -0.012 0.000 1.134 113 R CA 1.121 57.215 56.100 -0.010 0.000 0.975 113 R CB 0.081 30.376 30.300 -0.008 0.000 0.865 113 R HN 0.477 nan 8.270 nan 0.000 0.447 114 R N 0.215 120.708 120.500 -0.013 0.000 2.193 114 R HA -0.055 4.290 4.340 0.008 0.000 0.229 114 R C 0.742 177.033 176.300 -0.015 0.000 1.110 114 R CA 0.606 56.698 56.100 -0.013 0.000 0.988 114 R CB -0.246 30.046 30.300 -0.013 0.000 0.871 114 R HN 0.115 nan 8.270 nan 0.000 0.458 131 G N 0.654 109.365 108.800 -0.149 0.000 2.651 131 G HA2 0.456 4.421 3.960 0.008 0.000 0.260 131 G HA3 0.456 4.421 3.960 0.008 0.000 0.260 131 G C 0.299 175.138 174.900 -0.101 0.000 1.216 131 G CA 0.055 45.078 45.100 -0.128 0.000 0.913 131 G HN 0.551 nan 8.290 nan 0.000 0.535 132 G N -0.714 108.035 108.800 -0.085 0.000 2.616 132 G HA2 0.426 4.391 3.960 0.008 0.000 0.268 132 G HA3 0.426 4.391 3.960 0.008 0.000 0.268 132 G C -0.325 174.533 174.900 -0.070 0.000 1.213 132 G CA -0.581 44.479 45.100 -0.067 0.000 0.926 132 G HN 0.541 nan 8.290 nan 0.000 0.523 133 N N -1.625 117.043 118.700 -0.053 0.000 2.384 133 N HA 0.538 5.283 4.740 0.008 0.000 0.301 133 N C -0.882 174.607 175.510 -0.035 0.000 1.133 133 N CA -0.502 52.519 53.050 -0.048 0.000 0.853 133 N CB 2.205 40.666 38.487 -0.043 0.000 1.241 133 N HN 0.162 nan 8.380 nan 0.000 0.502 134 V N 1.053 120.949 119.914 -0.031 0.000 2.350 134 V HA 0.205 4.330 4.120 0.008 0.000 0.285 134 V C -0.637 175.452 176.094 -0.008 0.000 1.014 134 V CA -0.763 61.528 62.300 -0.015 0.000 0.831 134 V CB 1.252 33.067 31.823 -0.013 0.000 1.000 134 V HN 0.563 nan 8.190 nan 0.000 0.433 135 D N 3.798 124.199 120.400 0.002 0.000 2.359 135 D HA 0.437 5.082 4.640 0.008 0.000 0.230 135 D C 0.600 176.915 176.300 0.025 0.000 1.118 135 D CA 0.006 54.010 54.000 0.006 0.000 0.844 135 D CB 1.295 42.099 40.800 0.007 0.000 1.059 135 D HN 0.699 nan 8.370 nan 0.000 0.493 136 T N -0.183 114.382 114.554 0.019 0.000 2.816 136 T HA 0.239 4.594 4.350 0.008 0.000 0.282 136 T C 1.432 176.145 174.700 0.022 0.000 0.993 136 T CA -0.194 61.924 62.100 0.029 0.000 0.994 136 T CB 1.165 70.052 68.868 0.031 0.000 1.025 136 T HN 0.358 nan 8.240 nan 0.000 0.529 137 T N -1.303 113.250 114.554 -0.001 0.000 3.129 137 T HA 0.223 4.578 4.350 0.008 0.000 0.251 137 T C 0.904 175.588 174.700 -0.026 0.000 1.117 137 T CA -0.453 61.620 62.100 -0.047 0.000 1.034 137 T CB -0.329 68.423 68.868 -0.192 0.000 0.968 137 T HN 0.528 nan 8.240 nan 0.000 0.526 138 I N 3.749 124.328 120.570 0.015 0.000 2.668 138 I HA 0.120 4.295 4.170 0.008 0.000 0.285 138 I C 0.462 176.617 176.117 0.062 0.000 1.168 138 I CA -0.230 61.104 61.300 0.056 0.000 1.424 138 I CB -0.296 37.785 38.000 0.134 0.000 1.377 138 I HN 0.264 nan 8.210 nan 0.000 0.560 139 N N 9.753 128.488 118.700 0.057 0.000 2.420 139 N HA 0.198 4.943 4.740 0.008 0.000 0.249 139 N C -1.868 173.701 175.510 0.099 0.000 1.033 139 N CA -1.995 51.091 53.050 0.059 0.000 0.944 139 N CB 1.578 40.088 38.487 0.039 0.000 1.113 139 N HN 0.208 nan 8.380 nan 0.000 0.502 140 P HA -0.096 nan 4.420 nan 0.000 0.216 140 P C 1.016 178.400 177.300 0.139 0.000 1.150 140 P CA 1.301 64.522 63.100 0.203 0.000 0.843 140 P CB 0.348 32.140 31.700 0.153 0.000 0.787 141 R N -0.976 119.577 120.500 0.088 0.000 2.115 141 R HA -0.027 4.318 4.340 0.008 0.000 0.230 141 R C 2.230 178.563 176.300 0.055 0.000 1.111 141 R CA 1.043 57.182 56.100 0.066 0.000 0.976 141 R CB -0.626 29.703 30.300 0.049 0.000 0.870 141 R HN 0.272 nan 8.270 nan 0.000 0.445 142 I N -0.172 120.430 120.570 0.053 0.000 2.277 142 I HA -0.209 3.966 4.170 0.008 0.000 0.243 142 I C 2.519 178.656 176.117 0.034 0.000 1.094 142 I CA 0.858 62.182 61.300 0.041 0.000 1.393 142 I CB -0.233 37.789 38.000 0.038 0.000 1.078 142 I HN 0.082 nan 8.210 nan 0.000 0.417 143 Q N 1.255 121.072 119.800 0.028 0.000 2.061 143 Q HA -0.303 4.042 4.340 0.008 0.000 0.204 143 Q C 2.142 178.120 176.000 -0.035 0.000 0.984 143 Q CA 2.039 57.820 55.803 -0.036 0.000 0.846 143 Q CB -0.201 28.476 28.738 -0.102 0.000 0.902 143 Q HN 0.350 nan 8.270 nan 0.000 0.421 144 Q N -0.534 119.266 119.800 0.001 0.000 2.084 144 Q HA -0.057 4.289 4.340 0.008 0.000 0.202 144 Q C 1.868 177.926 176.000 0.097 0.000 0.978 144 Q CA 1.979 57.815 55.803 0.056 0.000 0.844 144 Q CB -0.626 28.159 28.738 0.078 0.000 0.898 144 Q HN 0.477 nan 8.270 nan 0.000 0.426 145 A N -0.283 122.572 122.820 0.058 0.000 1.933 145 A HA -0.043 4.282 4.320 0.008 0.000 0.218 145 A C 2.262 179.859 177.584 0.021 0.000 1.175 145 A CA 1.586 53.644 52.037 0.035 0.000 0.628 145 A CB -1.360 17.654 19.000 0.023 0.000 0.814 145 A HN 0.553 nan 8.150 nan 0.000 0.444 146 G N -1.210 107.611 108.800 0.034 0.000 2.433 146 G HA2 -0.293 3.672 3.960 0.008 0.000 0.216 146 G HA3 -0.293 3.672 3.960 0.008 0.000 0.216 146 G C 1.533 176.449 174.900 0.026 0.000 1.186 146 G CA 0.942 46.054 45.100 0.021 0.000 0.779 146 G HN 0.680 nan 8.290 nan 0.000 0.543 147 W N 1.739 122.978 121.300 -0.101 0.000 2.333 147 W HA -0.132 4.533 4.660 0.009 0.000 0.316 147 W C 1.812 178.282 176.519 -0.083 0.000 1.215 147 W CA 1.809 59.090 57.345 -0.106 0.000 1.278 147 W CB -0.245 29.131 29.460 -0.140 0.000 1.154 147 W HN 0.218 nan 8.180 nan 0.000 0.486 148 D N 0.597 120.963 120.400 -0.057 0.000 2.104 148 D HA -0.174 4.471 4.640 0.008 0.000 0.194 148 D C 2.335 178.503 176.300 -0.221 0.000 0.994 148 D CA 2.262 56.178 54.000 -0.141 0.000 0.830 148 D CB -0.937 39.862 40.800 -0.001 0.000 0.959 148 D HN 0.195 nan 8.370 nan 0.000 0.452 149 A N 0.664 123.386 122.820 -0.164 0.000 1.933 149 A HA -0.134 4.191 4.320 0.008 0.000 0.218 149 A C 2.141 179.582 177.584 -0.238 0.000 1.175 149 A CA 1.173 53.107 52.037 -0.172 0.000 0.628 149 A CB -0.356 18.568 19.000 -0.127 0.000 0.814 149 A HN 0.104 nan 8.150 nan 0.000 0.444 150 M N -0.643 118.780 119.600 -0.296 0.000 2.394 150 M HA -0.062 4.423 4.480 0.008 0.000 0.264 150 M C 1.724 177.759 176.300 -0.441 0.000 1.073 150 M CA 0.988 56.078 55.300 -0.349 0.000 1.111 150 M CB -0.844 31.548 32.600 -0.346 0.000 1.401 150 M HN 0.383 nan 8.290 nan 0.000 0.448 151 Q N -0.161 119.308 119.800 -0.552 0.000 2.331 151 Q HA -0.023 4.322 4.340 0.008 0.000 0.203 151 Q C 1.426 177.257 176.000 -0.283 0.000 0.944 151 Q CA 0.998 56.509 55.803 -0.487 0.000 0.892 151 Q CB -0.029 28.355 28.738 -0.590 0.000 0.983 151 Q HN 0.585 nan 8.270 nan 0.000 0.482 152 Q N -1.334 118.317 119.800 -0.247 0.000 2.316 152 Q HA 0.192 4.537 4.340 0.008 0.000 0.235 152 Q C 1.644 177.520 176.000 -0.207 0.000 0.863 152 Q CA 0.534 56.229 55.803 -0.180 0.000 0.939 152 Q CB 0.590 29.243 28.738 -0.142 0.000 1.108 152 Q HN 0.369 nan 8.270 nan 0.000 0.522 153 G N -0.763 107.890 108.800 -0.245 0.000 2.650 153 G HA2 -0.096 3.869 3.960 0.008 0.000 0.214 153 G HA3 -0.096 3.869 3.960 0.008 0.000 0.214 153 G C 0.579 175.251 174.900 -0.381 0.000 1.136 153 G CA 0.323 45.251 45.100 -0.286 0.000 0.789 153 G HN 0.322 nan 8.290 nan 0.000 0.536 154 c N 0.662 119.061 118.600 -0.334 0.000 2.513 154 c HA 0.416 4.991 4.570 0.008 0.000 0.281 154 c C -0.096 173.872 174.090 -0.203 0.000 1.501 154 c CA -1.289 54.840 56.329 -0.333 0.000 1.749 154 c CB -2.187 40.225 42.510 -0.162 0.000 2.955 154 c HN 0.569 nan 8.230 nan 0.000 0.532 155 Y N -0.078 120.179 120.300 -0.072 0.000 3.305 155 Y HA -0.166 4.389 4.550 0.008 0.000 0.212 155 Y C 1.088 176.951 175.900 -0.063 0.000 1.248 155 Y CA 1.193 59.258 58.100 -0.060 0.000 1.359 155 Y CB -1.827 36.605 38.460 -0.047 0.000 1.407 155 Y HN 0.837 nan 8.280 nan 0.000 0.572 156 G N -2.704 106.085 108.800 -0.017 0.000 2.331 156 G HA2 0.201 4.166 3.960 0.008 0.000 0.402 156 G HA3 0.201 4.166 3.960 0.008 0.000 0.402 156 G C -3.207 171.627 174.900 -0.109 0.000 1.275 156 G CA -1.005 44.069 45.100 -0.044 0.000 1.003 156 G HN -0.024 nan 8.290 nan 0.000 0.500 157 P HA 0.430 nan 4.420 nan 0.000 0.268 157 P C 0.046 177.252 177.300 -0.157 0.000 1.204 157 P CA -0.166 62.829 63.100 -0.174 0.000 0.768 157 P CB 0.637 32.251 31.700 -0.144 0.000 0.842 158 c N 3.645 122.122 118.600 -0.206 0.000 2.365 158 c HA 0.481 5.056 4.570 0.008 0.000 0.349 158 c C 0.637 174.626 174.090 -0.168 0.000 1.191 158 c CA -0.256 55.965 56.329 -0.181 0.000 2.114 158 c CB 0.464 42.845 42.510 -0.214 0.000 2.367 158 c HN 0.525 nan 8.230 nan 0.000 0.530 159 K N 1.064 121.380 120.400 -0.141 0.000 2.159 159 K HA 0.679 5.004 4.320 0.008 0.000 0.266 159 K C 0.274 176.758 176.600 -0.194 0.000 0.975 159 K CA 0.418 56.629 56.287 -0.126 0.000 0.865 159 K CB 0.850 33.300 32.500 -0.084 0.000 1.087 159 K HN 1.085 nan 8.250 nan 0.000 0.446 160 G N 1.441 110.128 108.800 -0.189 0.000 2.291 160 G HA2 0.375 4.340 3.960 0.008 0.000 0.249 160 G HA3 0.375 4.340 3.960 0.008 0.000 0.249 160 G C -1.735 173.043 174.900 -0.203 0.000 1.340 160 G CA -0.374 44.545 45.100 -0.301 0.000 1.017 160 G HN 0.877 nan 8.290 nan 0.000 0.470 161 A N -1.573 121.101 122.820 -0.244 0.000 2.572 161 A HA 0.888 5.213 4.320 0.008 0.000 0.295 161 A C -1.219 176.311 177.584 -0.091 0.000 1.072 161 A CA -0.232 51.734 52.037 -0.117 0.000 0.691 161 A CB 2.005 20.969 19.000 -0.061 0.000 1.291 161 A HN 1.838 nan 8.150 nan 0.000 0.404 162 V N 1.015 120.916 119.914 -0.022 0.000 2.588 162 V HA 0.621 4.746 4.120 0.008 0.000 0.304 162 V C -0.698 175.419 176.094 0.038 0.000 1.042 162 V CA -0.539 61.766 62.300 0.008 0.000 0.877 162 V CB 1.643 33.469 31.823 0.005 0.000 0.996 162 V HN 0.746 nan 8.190 nan 0.000 0.425 163 V N 3.204 123.153 119.914 0.059 0.000 2.540 163 V HA 0.879 5.004 4.120 0.008 0.000 0.302 163 V C 0.087 176.217 176.094 0.060 0.000 1.035 163 V CA -0.543 61.793 62.300 0.060 0.000 0.873 163 V CB 1.853 33.721 31.823 0.075 0.000 0.992 163 V HN 1.020 nan 8.190 nan 0.000 0.428 164 A N 5.893 128.738 122.820 0.042 0.000 2.330 164 A HA 0.941 5.266 4.320 0.008 0.000 0.313 164 A C -1.042 176.551 177.584 0.016 0.000 1.124 164 A CA -0.474 51.586 52.037 0.039 0.000 0.774 164 A CB 0.958 19.981 19.000 0.037 0.000 1.198 164 A HN 0.782 nan 8.150 nan 0.000 0.465 165 L N 1.043 122.276 121.223 0.017 0.000 2.341 165 L HA 0.531 4.876 4.340 0.008 0.000 0.267 165 L C 0.165 177.028 176.870 -0.012 0.000 1.009 165 L CA -0.624 54.209 54.840 -0.013 0.000 0.819 165 L CB 2.248 44.302 42.059 -0.008 0.000 1.323 165 L HN 0.846 nan 8.230 nan 0.000 0.425 166 E N 2.713 122.890 120.200 -0.039 0.000 2.044 166 E HA 0.206 4.561 4.350 0.008 0.000 0.282 166 E C -1.907 174.678 176.600 -0.025 0.000 1.031 166 E CA -1.748 54.637 56.400 -0.025 0.000 0.824 166 E CB 1.358 31.037 29.700 -0.035 0.000 1.076 166 E HN 0.289 nan 8.360 nan 0.000 0.395 167 P HA -0.189 nan 4.420 nan 0.000 0.218 167 P C 1.153 178.431 177.300 -0.037 0.000 1.148 167 P CA 1.179 64.251 63.100 -0.047 0.000 0.822 167 P CB 0.228 31.874 31.700 -0.090 0.000 0.784 168 S N -1.975 113.713 115.700 -0.020 0.000 2.461 168 S HA -0.063 4.412 4.470 0.008 0.000 0.228 168 S C 1.715 176.326 174.600 0.017 0.000 1.005 168 S CA 1.570 59.766 58.200 -0.007 0.000 0.942 168 S CB -1.525 61.675 63.200 -0.000 0.000 0.776 168 S HN 0.281 nan 8.310 nan 0.000 0.514 169 T N -4.020 110.552 114.554 0.031 0.000 2.987 169 T HA 0.546 4.901 4.350 0.008 0.000 0.248 169 T C 1.685 176.466 174.700 0.136 0.000 0.997 169 T CA 0.728 62.883 62.100 0.092 0.000 1.013 169 T CB -0.092 68.845 68.868 0.114 0.000 1.077 169 T HN 1.178 nan 8.240 nan 0.000 0.483 170 G N 1.992 110.811 108.800 0.033 0.000 2.176 170 G HA2 -0.240 3.725 3.960 0.008 0.000 0.253 170 G HA3 -0.240 3.725 3.960 0.008 0.000 0.253 170 G C -0.011 174.752 174.900 -0.228 0.000 0.979 170 G CA 0.029 45.126 45.100 -0.004 0.000 0.641 170 G HN 0.683 nan 8.290 nan 0.000 0.530 171 K N 0.178 120.340 120.400 -0.397 0.000 2.489 171 K HA 0.288 4.613 4.320 0.008 0.000 0.278 171 K C 0.588 176.977 176.600 -0.350 0.000 1.000 171 K CA 0.146 56.025 56.287 -0.680 0.000 1.012 171 K CB 0.669 32.933 32.500 -0.394 0.000 0.903 171 K HN 0.315 nan 8.250 nan 0.000 0.485 172 I N 5.240 125.611 120.570 -0.331 0.000 2.308 172 I HA -0.038 4.137 4.170 0.008 0.000 0.293 172 I C 1.140 177.200 176.117 -0.094 0.000 1.078 172 I CA -0.013 61.199 61.300 -0.147 0.000 1.292 172 I CB 0.455 38.398 38.000 -0.096 0.000 1.423 172 I HN 0.533 nan 8.210 nan 0.000 0.493 173 L N 6.278 127.468 121.223 -0.054 0.000 2.307 173 L HA 0.306 4.651 4.340 0.008 0.000 0.211 173 L C 0.893 177.769 176.870 0.011 0.000 1.099 173 L CA 0.289 55.117 54.840 -0.021 0.000 0.816 173 L CB -0.109 41.945 42.059 -0.009 0.000 0.952 173 L HN 0.684 nan 8.230 nan 0.000 0.455 174 A N 0.114 122.941 122.820 0.012 0.000 2.547 174 A HA 0.660 4.985 4.320 0.008 0.000 0.297 174 A C -1.692 175.904 177.584 0.020 0.000 1.056 174 A CA -0.301 51.748 52.037 0.020 0.000 0.688 174 A CB 1.709 20.722 19.000 0.021 0.000 1.282 174 A HN -0.034 nan 8.150 nan 0.000 0.400 175 L N 2.782 124.016 121.223 0.018 0.000 2.492 175 L HA 0.574 4.919 4.340 0.008 0.000 0.258 175 L C -1.453 175.430 176.870 0.022 0.000 1.028 175 L CA -0.112 54.745 54.840 0.028 0.000 0.900 175 L CB 1.513 43.593 42.059 0.035 0.000 1.191 175 L HN 0.492 nan 8.230 nan 0.000 0.459 176 V N 2.318 122.254 119.914 0.037 0.000 2.459 176 V HA 0.706 4.831 4.120 0.008 0.000 0.295 176 V C 0.003 176.148 176.094 0.085 0.000 1.029 176 V CA -0.404 61.938 62.300 0.070 0.000 0.874 176 V CB 1.853 33.733 31.823 0.096 0.000 0.985 176 V HN 0.673 nan 8.190 nan 0.000 0.438 177 S N 2.829 118.607 115.700 0.130 0.000 2.521 177 S HA 0.750 5.225 4.470 0.008 0.000 0.295 177 S C -0.809 173.915 174.600 0.205 0.000 1.098 177 S CA -0.385 57.887 58.200 0.121 0.000 0.999 177 S CB 1.720 64.986 63.200 0.110 0.000 1.034 177 S HN 0.835 nan 8.310 nan 0.000 0.483 178 S N 4.203 119.967 115.700 0.107 0.000 2.547 178 S HA 0.737 5.212 4.470 0.008 0.000 0.281 178 S C -2.925 171.689 174.600 0.024 0.000 1.118 178 S CA -1.470 56.782 58.200 0.085 0.000 0.947 178 S CB 1.577 64.708 63.200 -0.115 0.000 1.053 178 S HN 0.568 nan 8.310 nan 0.000 0.482 179 P HA 0.318 nan 4.420 nan 0.000 0.274 179 P C -0.383 177.054 177.300 0.228 0.000 1.256 179 P CA -0.286 62.891 63.100 0.128 0.000 0.795 179 P CB 1.158 32.908 31.700 0.084 0.000 1.038 180 S N -0.256 115.642 115.700 0.330 0.000 2.786 180 S HA 0.793 5.268 4.470 0.008 0.000 0.302 180 S C -1.260 173.486 174.600 0.243 0.000 1.080 180 S CA -0.540 57.810 58.200 0.250 0.000 0.925 180 S CB 0.333 63.572 63.200 0.065 0.000 1.325 180 S HN 0.566 nan 8.310 nan 0.000 0.576 181 Y N -0.436 119.863 120.300 -0.002 0.000 2.670 181 Y HA 0.667 5.222 4.550 0.008 0.000 0.334 181 Y C -1.513 174.354 175.900 -0.055 0.000 1.185 181 Y CA -1.181 56.908 58.100 -0.020 0.000 1.053 181 Y CB 0.704 39.148 38.460 -0.027 0.000 1.298 181 Y HN 0.465 nan 8.280 nan 0.000 0.459 182 D N 2.390 122.749 120.400 -0.068 0.000 2.412 182 D HA 0.400 5.045 4.640 0.008 0.000 0.224 182 D C -2.123 174.118 176.300 -0.099 0.000 1.093 182 D CA -2.772 51.141 54.000 -0.144 0.000 0.850 182 D CB 1.667 42.454 40.800 -0.021 0.000 1.046 182 D HN 0.344 nan 8.370 nan 0.000 0.507 183 P HA -0.054 nan 4.420 nan 0.000 0.225 183 P C 0.976 178.231 177.300 -0.075 0.000 1.148 183 P CA 0.494 63.441 63.100 -0.256 0.000 0.779 183 P CB 0.287 31.418 31.700 -0.948 0.000 0.780 184 N N -0.438 118.294 118.700 0.054 0.000 2.272 184 N HA -0.105 4.640 4.740 0.008 0.000 0.185 184 N C 1.648 177.230 175.510 0.120 0.000 1.014 184 N CA 0.972 54.139 53.050 0.195 0.000 0.870 184 N CB -0.522 38.056 38.487 0.151 0.000 0.975 184 N HN 0.264 nan 8.380 nan 0.000 0.433 185 L N 0.641 121.909 121.223 0.075 0.000 2.046 185 L HA -0.110 4.235 4.340 0.008 0.000 0.208 185 L C 2.102 178.998 176.870 0.044 0.000 1.077 185 L CA 0.963 55.837 54.840 0.055 0.000 0.747 185 L CB -0.301 41.785 42.059 0.045 0.000 0.896 185 L HN 0.094 nan 8.230 nan 0.000 0.432 186 L N -0.903 120.327 121.223 0.012 0.000 2.418 186 L HA 0.006 4.352 4.340 0.008 0.000 0.218 186 L C 2.404 179.331 176.870 0.095 0.000 1.125 186 L CA 0.466 55.279 54.840 -0.045 0.000 0.835 186 L CB -0.495 41.327 42.059 -0.395 0.000 0.953 186 L HN 0.153 nan 8.230 nan 0.000 0.454 187 A N -0.857 122.082 122.820 0.197 0.000 2.238 187 A HA 0.031 4.356 4.320 0.008 0.000 0.208 187 A C 1.338 179.062 177.584 0.232 0.000 1.177 187 A CA 0.084 52.296 52.037 0.292 0.000 0.804 187 A CB -0.192 19.070 19.000 0.438 0.000 0.823 187 A HN 0.262 nan 8.150 nan 0.000 0.482 188 S N -0.638 115.152 115.700 0.150 0.000 2.560 188 S HA 0.043 4.518 4.470 0.008 0.000 0.284 188 S C 0.757 175.474 174.600 0.194 0.000 1.327 188 S CA -0.061 58.209 58.200 0.117 0.000 1.055 188 S CB -0.019 63.225 63.200 0.074 0.000 0.868 188 S HN 0.613 nan 8.310 nan 0.000 0.506 189 H N 2.110 121.167 119.070 -0.022 0.000 2.539 189 H HA 0.139 4.701 4.556 0.010 0.000 0.269 189 H C 0.427 175.728 175.328 -0.044 0.000 0.980 189 H CA -0.273 55.733 56.048 -0.069 0.000 1.152 189 H CB 0.231 29.986 29.762 -0.011 0.000 1.407 189 H HN 0.466 nan 8.280 nan 0.000 0.564 190 N N 2.391 121.147 118.700 0.094 0.000 2.430 190 N HA -0.008 4.737 4.740 0.008 0.000 0.265 190 N C -1.706 173.814 175.510 0.017 0.000 1.100 190 N CA -1.783 51.296 53.050 0.048 0.000 0.961 190 N CB 1.515 40.029 38.487 0.045 0.000 1.075 190 N HN 0.082 nan 8.380 nan 0.000 0.478 191 P HA -0.183 nan 4.420 nan 0.000 0.215 191 P C 0.909 178.215 177.300 0.009 0.000 1.157 191 P CA 1.348 64.430 63.100 -0.030 0.000 0.868 191 P CB 0.430 32.107 31.700 -0.038 0.000 0.788 192 E N -0.143 120.069 120.200 0.020 0.000 2.106 192 E HA -0.106 4.249 4.350 0.008 0.000 0.192 192 E C 1.946 178.574 176.600 0.047 0.000 0.984 192 E CA 0.826 57.247 56.400 0.035 0.000 0.806 192 E CB -0.490 29.226 29.700 0.027 0.000 0.750 192 E HN -0.101 nan 8.360 nan 0.000 0.458 193 V N 1.024 120.964 119.914 0.043 0.000 2.407 193 V HA -0.269 3.856 4.120 0.008 0.000 0.248 193 V C 2.348 178.477 176.094 0.058 0.000 1.055 193 V CA 2.050 64.377 62.300 0.045 0.000 1.049 193 V CB -0.517 31.331 31.823 0.042 0.000 0.662 193 V HN 0.351 nan 8.190 nan 0.000 0.455 194 Q N -0.322 119.522 119.800 0.074 0.000 2.020 194 Q HA -0.172 4.173 4.340 0.008 0.000 0.202 194 Q C 2.462 178.577 176.000 0.191 0.000 0.982 194 Q CA 1.853 57.728 55.803 0.121 0.000 0.838 194 Q CB -0.406 28.416 28.738 0.139 0.000 0.899 194 Q HN 0.668 nan 8.270 nan 0.000 0.423 195 A N 0.881 123.825 122.820 0.206 0.000 1.877 195 A HA -0.259 4.066 4.320 0.008 0.000 0.216 195 A C 1.979 179.660 177.584 0.162 0.000 1.186 195 A CA 1.561 53.744 52.037 0.243 0.000 0.620 195 A CB -0.589 18.512 19.000 0.167 0.000 0.822 195 A HN 0.338 nan 8.150 nan 0.000 0.443 196 Q N -0.816 119.042 119.800 0.096 0.000 2.096 196 Q HA -0.148 4.197 4.340 0.008 0.000 0.204 196 Q C 2.397 178.415 176.000 0.030 0.000 0.982 196 Q CA 1.535 57.371 55.803 0.055 0.000 0.850 196 Q CB -0.362 28.399 28.738 0.038 0.000 0.901 196 Q HN 0.705 nan 8.270 nan 0.000 0.422 197 A N 0.437 123.277 122.820 0.032 0.000 1.898 197 A HA -0.194 4.131 4.320 0.008 0.000 0.216 197 A C 1.747 179.298 177.584 -0.056 0.000 1.181 197 A CA 0.908 52.940 52.037 -0.008 0.000 0.620 197 A CB -1.129 17.870 19.000 -0.001 0.000 0.819 197 A HN 0.706 nan 8.150 nan 0.000 0.442 198 W N 0.781 121.901 121.300 -0.299 0.000 2.335 198 W HA -0.220 4.447 4.660 0.012 0.000 0.311 198 W C 2.309 178.667 176.519 -0.269 0.000 1.213 198 W CA 2.212 59.284 57.345 -0.455 0.000 1.274 198 W CB -0.151 28.821 29.460 -0.814 0.000 1.148 198 W HN 0.546 nan 8.180 nan 0.000 0.498 199 Q N 1.109 120.862 119.800 -0.079 0.000 2.020 199 Q HA -0.225 4.120 4.340 0.008 0.000 0.202 199 Q C 2.247 178.145 176.000 -0.170 0.000 0.982 199 Q CA 1.776 57.509 55.803 -0.117 0.000 0.838 199 Q CB -0.584 28.154 28.738 0.001 0.000 0.899 199 Q HN 0.355 nan 8.270 nan 0.000 0.423 200 R N -0.100 120.326 120.500 -0.123 0.000 2.073 200 R HA -0.071 4.274 4.340 0.008 0.000 0.234 200 R C 2.680 178.883 176.300 -0.163 0.000 1.134 200 R CA 1.442 57.476 56.100 -0.110 0.000 0.952 200 R CB -0.380 29.882 30.300 -0.062 0.000 0.850 200 R HN 0.279 nan 8.270 nan 0.000 0.433 201 L N -0.464 120.619 121.223 -0.233 0.000 2.017 201 L HA -0.122 4.223 4.340 0.008 0.000 0.208 201 L C 2.622 179.276 176.870 -0.360 0.000 1.073 201 L CA 1.561 56.224 54.840 -0.295 0.000 0.745 201 L CB -0.908 40.915 42.059 -0.394 0.000 0.894 201 L HN 0.377 nan 8.230 nan 0.000 0.432 202 G N -0.596 107.899 108.800 -0.510 0.000 2.432 202 G HA2 -0.232 3.733 3.960 0.008 0.000 0.219 202 G HA3 -0.232 3.733 3.960 0.008 0.000 0.219 202 G C 1.055 175.798 174.900 -0.263 0.000 1.135 202 G CA 0.882 45.702 45.100 -0.466 0.000 0.767 202 G HN 0.326 nan 8.290 nan 0.000 0.550 203 D N -0.053 120.224 120.400 -0.205 0.000 2.348 203 D HA -0.001 4.644 4.640 0.008 0.000 0.211 203 D C 0.768 177.008 176.300 -0.099 0.000 0.998 203 D CA -0.053 53.871 54.000 -0.126 0.000 0.873 203 D CB -0.050 40.693 40.800 -0.095 0.000 0.925 203 D HN 0.145 nan 8.370 nan 0.000 0.524 204 N N 1.646 120.279 118.700 -0.112 0.000 2.420 204 N HA 0.029 4.774 4.740 0.008 0.000 0.262 204 N C -1.821 173.650 175.510 -0.066 0.000 1.144 204 N CA -1.404 51.600 53.050 -0.077 0.000 0.952 204 N CB 1.695 40.138 38.487 -0.073 0.000 1.081 204 N HN -0.167 nan 8.380 nan 0.000 0.480 205 P HA -0.026 nan 4.420 nan 0.000 0.222 205 P C 0.509 177.797 177.300 -0.020 0.000 1.147 205 P CA 0.808 63.890 63.100 -0.030 0.000 0.790 205 P CB 0.208 31.898 31.700 -0.017 0.000 0.780 206 A N -0.935 121.874 122.820 -0.018 0.000 2.206 206 A HA 0.105 4.430 4.320 0.008 0.000 0.211 206 A C 1.019 178.596 177.584 -0.011 0.000 1.158 206 A CA 0.706 52.739 52.037 -0.008 0.000 0.761 206 A CB -1.085 17.913 19.000 -0.002 0.000 0.801 206 A HN 0.116 nan 8.150 nan 0.000 0.473 207 S N -0.431 115.248 115.700 -0.036 0.000 3.572 207 S HA -0.097 4.378 4.470 0.008 0.000 0.394 207 S C -0.800 173.781 174.600 -0.032 0.000 0.923 207 S CA 0.507 58.674 58.200 -0.055 0.000 1.291 207 S CB -0.569 62.604 63.200 -0.045 0.000 0.914 207 S HN 0.553 nan 8.310 nan 0.000 0.545 208 P HA -0.070 nan 4.420 nan 0.000 0.222 208 P C 1.469 178.800 177.300 0.053 0.000 1.147 208 P CA 0.771 63.901 63.100 0.050 0.000 0.790 208 P CB -0.011 31.733 31.700 0.073 0.000 0.780 209 L N -0.867 120.287 121.223 -0.116 0.000 2.376 209 L HA -0.002 4.343 4.340 0.008 0.000 0.219 209 L C 0.874 177.732 176.870 -0.020 0.000 1.133 209 L CA 0.687 55.409 54.840 -0.196 0.000 0.816 209 L CB -1.196 40.670 42.059 -0.320 0.000 0.933 209 L HN -0.087 nan 8.230 nan 0.000 0.449 210 T N 0.957 115.514 114.554 0.004 0.000 2.834 210 T HA 0.009 4.364 4.350 0.008 0.000 0.298 210 T C 0.441 175.187 174.700 0.076 0.000 0.966 210 T CA -0.248 61.871 62.100 0.031 0.000 1.141 210 T CB 0.388 69.265 68.868 0.015 0.000 0.905 210 T HN 0.037 nan 8.240 nan 0.000 0.535 211 N N 2.752 121.500 118.700 0.079 0.000 2.482 211 N HA 0.087 4.832 4.740 0.008 0.000 0.242 211 N C 1.113 176.671 175.510 0.081 0.000 1.100 211 N CA -0.297 52.806 53.050 0.089 0.000 0.946 211 N CB 0.342 38.879 38.487 0.083 0.000 1.227 211 N HN 0.466 nan 8.380 nan 0.000 0.508 212 R N 2.093 122.648 120.500 0.091 0.000 2.189 212 R HA -0.015 4.330 4.340 0.008 0.000 0.223 212 R C 1.682 178.069 176.300 0.145 0.000 1.092 212 R CA 1.142 57.317 56.100 0.126 0.000 0.989 212 R CB 0.061 30.435 30.300 0.123 0.000 0.876 212 R HN 0.531 nan 8.270 nan 0.000 0.457 213 A N 1.386 124.266 122.820 0.101 0.000 1.930 213 A HA -0.109 4.216 4.320 0.008 0.000 0.217 213 A C 2.003 179.655 177.584 0.113 0.000 1.175 213 A CA 1.419 53.516 52.037 0.101 0.000 0.627 213 A CB -0.233 18.812 19.000 0.075 0.000 0.815 213 A HN 0.462 nan 8.150 nan 0.000 0.443 214 I N -6.188 114.437 120.570 0.093 0.000 4.592 214 I HA 0.269 4.444 4.170 0.008 0.000 0.329 214 I C 1.225 177.377 176.117 0.059 0.000 1.309 214 I CA 0.704 62.050 61.300 0.078 0.000 1.243 214 I CB 0.753 38.792 38.000 0.064 0.000 1.241 214 I HN -0.037 nan 8.210 nan 0.000 0.434 215 S N 0.080 115.809 115.700 0.049 0.000 2.512 215 S HA 0.230 4.705 4.470 0.008 0.000 0.216 215 S C 0.415 175.004 174.600 -0.019 0.000 1.006 215 S CA -0.124 58.088 58.200 0.021 0.000 0.915 215 S CB 0.322 63.536 63.200 0.023 0.000 0.824 215 S HN 0.500 nan 8.310 nan 0.000 0.497 216 E N 2.098 122.277 120.200 -0.035 0.000 2.222 216 E HA 0.431 4.786 4.350 0.008 0.000 0.267 216 E C -0.673 175.765 176.600 -0.270 0.000 0.884 216 E CA -0.493 55.790 56.400 -0.195 0.000 0.764 216 E CB 1.314 30.865 29.700 -0.249 0.000 1.169 216 E HN 0.215 nan 8.360 nan 0.000 0.413 217 T N 0.566 114.899 114.554 -0.369 0.000 2.925 217 T HA 0.585 4.940 4.350 0.008 0.000 0.285 217 T C -0.876 173.542 174.700 -0.470 0.000 1.021 217 T CA -0.523 61.434 62.100 -0.238 0.000 1.042 217 T CB 0.662 69.485 68.868 -0.074 0.000 1.037 217 T HN 0.351 nan 8.240 nan 0.000 0.481 218 Y N -0.015 120.373 120.300 0.146 0.000 2.534 218 Y HA 0.513 5.068 4.550 0.008 0.000 0.345 218 Y C -2.690 173.367 175.900 0.263 0.000 1.031 218 Y CA -2.867 55.347 58.100 0.191 0.000 1.022 218 Y CB 1.873 40.425 38.460 0.154 0.000 1.292 218 Y HN 0.488 nan 8.280 nan 0.000 0.459 219 P HA 0.004 nan 4.420 nan 0.000 0.264 219 P C -2.023 175.499 177.300 0.369 0.000 1.193 219 P CA -0.910 62.350 63.100 0.266 0.000 0.763 219 P CB 0.556 32.402 31.700 0.243 0.000 0.810 220 P HA -0.068 nan 4.420 nan 0.000 0.231 220 P C 0.975 178.125 177.300 -0.250 0.000 1.168 220 P CA 1.067 63.955 63.100 -0.352 0.000 0.779 220 P CB -0.089 31.403 31.700 -0.347 0.000 0.844 221 G N 1.224 110.010 108.800 -0.024 0.000 2.652 221 G HA2 -0.397 3.568 3.960 0.008 0.000 0.318 221 G HA3 -0.397 3.568 3.960 0.008 0.000 0.318 221 G C 1.327 176.190 174.900 -0.062 0.000 1.295 221 G CA 1.244 46.349 45.100 0.009 0.000 0.999 221 G HN 0.245 nan 8.290 nan 0.000 0.548 222 S N 0.317 115.968 115.700 -0.082 0.000 2.392 222 S HA -0.229 4.246 4.470 0.008 0.000 0.232 222 S C 2.620 177.063 174.600 -0.262 0.000 1.041 222 S CA 3.367 61.461 58.200 -0.176 0.000 1.026 222 S CB -1.037 62.055 63.200 -0.181 0.000 0.845 222 S HN 1.803 nan 8.310 nan 0.000 0.465 223 T N -0.546 113.847 114.554 -0.268 0.000 2.897 223 T HA -0.069 4.286 4.350 0.008 0.000 0.271 223 T C 1.378 175.910 174.700 -0.282 0.000 1.084 223 T CA 0.827 62.733 62.100 -0.324 0.000 1.123 223 T CB -0.639 67.963 68.868 -0.443 0.000 0.865 223 T HN 0.312 nan 8.240 nan 0.000 0.496 224 F N 2.118 121.853 119.950 -0.359 0.000 2.407 224 F HA 0.253 4.785 4.527 0.008 0.000 0.299 224 F C 2.114 177.755 175.800 -0.264 0.000 1.097 224 F CA 0.300 58.125 58.000 -0.291 0.000 1.422 224 F CB -0.241 38.627 39.000 -0.220 0.000 1.067 224 F HN 0.081 nan 8.300 nan 0.000 0.539 225 K N -0.438 119.778 120.400 -0.306 0.000 2.286 225 K HA -0.175 4.150 4.320 0.008 0.000 0.203 225 K C 1.975 178.410 176.600 -0.275 0.000 1.045 225 K CA 1.276 57.273 56.287 -0.484 0.000 0.935 225 K CB -0.409 31.475 32.500 -1.027 0.000 0.737 225 K HN 0.188 nan 8.250 nan 0.000 0.460 226 V N 1.529 121.293 119.914 -0.249 0.000 2.343 226 V HA -0.266 3.859 4.120 0.008 0.000 0.247 226 V C 2.113 178.007 176.094 -0.334 0.000 1.051 226 V CA 1.482 63.696 62.300 -0.144 0.000 1.036 226 V CB -0.367 31.340 31.823 -0.193 0.000 0.654 226 V HN 0.270 nan 8.190 nan 0.000 0.451 227 I N 0.149 120.333 120.570 -0.642 0.000 2.252 227 I HA -0.167 4.008 4.170 0.008 0.000 0.245 227 I C 2.563 178.459 176.117 -0.368 0.000 1.102 227 I CA 1.792 62.671 61.300 -0.703 0.000 1.385 227 I CB -1.941 35.299 38.000 -1.267 0.000 1.064 227 I HN 0.321 nan 8.210 nan 0.000 0.414 228 T N 0.794 115.163 114.554 -0.308 0.000 2.720 228 T HA -0.166 4.189 4.350 0.008 0.000 0.268 228 T C 1.921 176.671 174.700 0.083 0.000 1.037 228 T CA 2.166 64.256 62.100 -0.017 0.000 1.144 228 T CB -0.442 68.505 68.868 0.131 0.000 0.864 228 T HN 0.356 nan 8.240 nan 0.000 0.444 229 T N 1.960 116.582 114.554 0.113 0.000 2.737 229 T HA 0.025 4.380 4.350 0.008 0.000 0.265 229 T C 2.460 177.192 174.700 0.054 0.000 1.038 229 T CA 1.095 63.289 62.100 0.156 0.000 1.144 229 T CB -0.653 68.333 68.868 0.197 0.000 0.866 229 T HN 0.432 nan 8.240 nan 0.000 0.434 230 A N 1.803 124.631 122.820 0.014 0.000 1.892 230 A HA -0.017 4.308 4.320 0.008 0.000 0.218 230 A C 2.674 180.294 177.584 0.060 0.000 1.188 230 A CA 2.226 54.294 52.037 0.053 0.000 0.631 230 A CB -1.325 17.754 19.000 0.132 0.000 0.822 230 A HN 0.526 nan 8.150 nan 0.000 0.447 231 A N -0.336 122.512 122.820 0.047 0.000 1.883 231 A HA 0.080 4.406 4.320 0.008 0.000 0.217 231 A C 2.557 180.168 177.584 0.046 0.000 1.186 231 A CA 2.595 54.663 52.037 0.050 0.000 0.624 231 A CB -1.158 17.869 19.000 0.046 0.000 0.822 231 A HN 1.189 nan 8.150 nan 0.000 0.444 232 A N -0.421 122.429 122.820 0.050 0.000 1.877 232 A HA -0.015 4.310 4.320 0.008 0.000 0.216 232 A C 2.189 179.789 177.584 0.027 0.000 1.186 232 A CA 1.496 53.557 52.037 0.041 0.000 0.620 232 A CB -0.650 18.379 19.000 0.049 0.000 0.822 232 A HN 0.476 nan 8.150 nan 0.000 0.443 233 L N -0.692 120.546 121.223 0.025 0.000 2.046 233 L HA -0.202 4.143 4.340 0.008 0.000 0.208 233 L C 3.058 179.936 176.870 0.012 0.000 1.077 233 L CA 1.072 55.919 54.840 0.012 0.000 0.747 233 L CB -0.564 41.496 42.059 0.003 0.000 0.896 233 L HN 0.434 nan 8.230 nan 0.000 0.432 234 A N 0.022 122.854 122.820 0.021 0.000 1.972 234 A HA -0.071 4.254 4.320 0.008 0.000 0.219 234 A C 2.184 179.776 177.584 0.014 0.000 1.169 234 A CA 1.565 53.612 52.037 0.017 0.000 0.635 234 A CB -0.527 18.488 19.000 0.025 0.000 0.810 234 A HN 0.386 nan 8.150 nan 0.000 0.446 235 A N -1.684 121.146 122.820 0.017 0.000 2.370 235 A HA 0.452 4.777 4.320 0.008 0.000 0.238 235 A C 1.557 179.147 177.584 0.010 0.000 1.289 235 A CA 0.956 53.002 52.037 0.015 0.000 0.885 235 A CB -1.100 17.912 19.000 0.020 0.000 0.961 235 A HN 1.836 nan 8.150 nan 0.000 0.499 236 G N -1.752 107.052 108.800 0.007 0.000 2.157 236 G HA2 0.067 4.032 3.960 0.008 0.000 0.248 236 G HA3 0.067 4.032 3.960 0.008 0.000 0.248 236 G C 0.519 175.419 174.900 0.000 0.000 0.979 236 G CA 0.198 45.300 45.100 0.002 0.000 0.650 236 G HN 1.659 nan 8.290 nan 0.000 0.529 237 A N 0.420 123.241 122.820 0.002 0.000 2.483 237 A HA 0.642 4.967 4.320 0.008 0.000 0.238 237 A C 1.012 178.591 177.584 -0.007 0.000 1.070 237 A CA 1.436 53.471 52.037 -0.003 0.000 0.770 237 A CB 0.197 19.197 19.000 -0.001 0.000 1.008 237 A HN 1.861 nan 8.150 nan 0.000 0.497 238 T N -0.725 113.822 114.554 -0.012 0.000 2.952 238 T HA 0.475 4.830 4.350 0.008 0.000 0.286 238 T C 0.430 175.120 174.700 -0.018 0.000 1.024 238 T CA -0.440 61.652 62.100 -0.013 0.000 1.029 238 T CB 1.334 70.195 68.868 -0.012 0.000 1.094 238 T HN 0.623 nan 8.240 nan 0.000 0.515 239 E N 0.031 120.220 120.200 -0.018 0.000 2.482 239 E HA -0.013 4.342 4.350 0.008 0.000 0.196 239 E C 1.602 178.193 176.600 -0.015 0.000 1.047 239 E CA 0.863 57.251 56.400 -0.019 0.000 0.869 239 E CB 0.084 29.771 29.700 -0.023 0.000 0.836 239 E HN 0.873 nan 8.360 nan 0.000 0.520 240 T N -1.969 112.576 114.554 -0.014 0.000 3.069 240 T HA 0.019 4.374 4.350 0.008 0.000 0.252 240 T C 0.585 175.275 174.700 -0.017 0.000 1.053 240 T CA -0.409 61.684 62.100 -0.012 0.000 0.964 240 T CB 0.107 68.970 68.868 -0.008 0.000 1.005 240 T HN 0.022 nan 8.240 nan 0.000 0.532 241 E N 2.125 122.312 120.200 -0.022 0.000 2.465 241 E HA -0.010 4.345 4.350 0.008 0.000 0.260 241 E C -0.427 176.151 176.600 -0.036 0.000 0.980 241 E CA -0.188 56.196 56.400 -0.027 0.000 0.927 241 E CB 0.428 30.110 29.700 -0.030 0.000 0.934 241 E HN 0.314 nan 8.360 nan 0.000 0.459 242 Q N 3.726 123.507 119.800 -0.032 0.000 2.286 242 Q HA 0.338 4.683 4.340 0.008 0.000 0.257 242 Q C -0.422 175.549 176.000 -0.049 0.000 0.941 242 Q CA -0.065 55.717 55.803 -0.035 0.000 0.912 242 Q CB 1.105 29.830 28.738 -0.023 0.000 1.192 242 Q HN 0.503 nan 8.270 nan 0.000 0.410 243 L N 0.455 121.640 121.223 -0.063 0.000 2.341 243 L HA 0.453 4.798 4.340 0.008 0.000 0.267 243 L C 0.567 177.404 176.870 -0.054 0.000 1.009 243 L CA -0.989 53.804 54.840 -0.079 0.000 0.819 243 L CB 1.909 43.877 42.059 -0.152 0.000 1.323 243 L HN 0.455 nan 8.230 nan 0.000 0.425 244 T N 0.459 114.988 114.554 -0.042 0.000 2.940 244 T HA 0.273 4.628 4.350 0.008 0.000 0.309 244 T C 0.669 175.361 174.700 -0.014 0.000 1.056 244 T CA 0.379 62.466 62.100 -0.021 0.000 1.137 244 T CB 0.879 69.741 68.868 -0.010 0.000 0.976 244 T HN 0.741 nan 8.240 nan 0.000 0.547 245 A N 3.736 126.555 122.820 -0.002 0.000 2.470 245 A HA 0.681 5.006 4.320 0.008 0.000 0.251 245 A C 1.093 178.686 177.584 0.015 0.000 1.245 245 A CA 0.200 52.242 52.037 0.009 0.000 0.932 245 A CB -0.225 18.780 19.000 0.010 0.000 1.037 245 A HN 1.139 nan 8.150 nan 0.000 0.522 246 A N 1.402 124.229 122.820 0.012 0.000 2.498 246 A HA 0.461 4.786 4.320 0.008 0.000 0.239 246 A C -0.709 176.887 177.584 0.020 0.000 1.068 246 A CA -0.640 51.406 52.037 0.014 0.000 0.766 246 A CB 0.117 19.123 19.000 0.010 0.000 1.003 246 A HN 0.233 nan 8.150 nan 0.000 0.497 247 P HA -0.052 nan 4.420 nan 0.000 0.219 247 P C 0.397 177.710 177.300 0.022 0.000 1.146 247 P CA 1.461 64.573 63.100 0.020 0.000 0.808 247 P CB -0.127 31.579 31.700 0.012 0.000 0.779 248 T N -0.300 114.265 114.554 0.018 0.000 2.907 248 T HA 0.662 5.017 4.350 0.008 0.000 0.292 248 T C -0.447 174.264 174.700 0.019 0.000 1.043 248 T CA -0.625 61.486 62.100 0.018 0.000 1.003 248 T CB 2.294 71.169 68.868 0.011 0.000 1.084 248 T HN -0.117 nan 8.240 nan 0.000 0.483 249 I N 2.552 123.134 120.570 0.022 0.000 2.582 249 I HA 0.517 4.692 4.170 0.008 0.000 0.292 249 I C -2.178 173.950 176.117 0.017 0.000 1.066 249 I CA -2.517 58.795 61.300 0.020 0.000 1.053 249 I CB 2.359 40.374 38.000 0.026 0.000 1.241 249 I HN 0.529 nan 8.210 nan 0.000 0.421 259 E N 0.999 121.223 120.200 0.039 0.000 2.277 259 E HA 0.495 4.850 4.350 0.008 0.000 0.266 259 E C -0.692 175.945 176.600 0.063 0.000 0.901 259 E CA -0.765 55.657 56.400 0.037 0.000 0.782 259 E CB 1.788 31.498 29.700 0.015 0.000 1.228 259 E HN 0.581 nan 8.360 nan 0.000 0.424 260 N N 1.553 120.291 118.700 0.063 0.000 2.479 260 N HA 0.027 4.772 4.740 0.008 0.000 0.257 260 N C -0.517 175.055 175.510 0.103 0.000 1.232 260 N CA 0.097 53.203 53.050 0.094 0.000 0.920 260 N CB 0.222 38.758 38.487 0.081 0.000 1.105 260 N HN 0.422 nan 8.380 nan 0.000 0.444 266 c N 0.713 119.335 118.600 0.037 0.000 2.413 266 c HA 0.349 4.924 4.570 0.008 0.000 0.277 266 c C 1.170 175.283 174.090 0.038 0.000 1.265 266 c CA 2.025 58.381 56.329 0.045 0.000 1.752 266 c CB -0.964 41.573 42.510 0.046 0.000 1.998 266 c HN 0.860 nan 8.230 nan 0.000 0.489 267 G N -1.497 107.320 108.800 0.028 0.000 2.663 267 G HA2 0.375 4.341 3.960 0.008 0.000 0.299 267 G HA3 0.375 4.341 3.960 0.008 0.000 0.299 267 G C -0.910 174.001 174.900 0.018 0.000 1.372 267 G CA 0.066 45.180 45.100 0.024 0.000 0.781 267 G HN 0.033 nan 8.290 nan 0.000 0.491 268 D N -0.158 120.251 120.400 0.016 0.000 2.363 268 D HA 0.209 4.854 4.640 0.008 0.000 0.226 268 D C 0.433 176.739 176.300 0.010 0.000 1.020 268 D CA 0.688 54.695 54.000 0.012 0.000 0.892 268 D CB 0.422 41.229 40.800 0.011 0.000 0.900 268 D HN 0.316 nan 8.370 nan 0.000 0.531 269 E N -0.693 119.512 120.200 0.010 0.000 2.232 269 E HA 0.255 4.610 4.350 0.008 0.000 0.264 269 E C -1.454 175.149 176.600 0.005 0.000 0.973 269 E CA -1.617 54.787 56.400 0.007 0.000 0.849 269 E CB 1.106 30.810 29.700 0.006 0.000 1.198 269 E HN -0.147 nan 8.360 nan 0.000 0.407 270 P HA -0.087 nan 4.420 nan 0.000 0.220 270 P C -0.104 177.196 177.300 -0.001 0.000 1.148 270 P CA 1.101 64.202 63.100 0.001 0.000 0.803 270 P CB 0.185 31.885 31.700 0.000 0.000 0.782 271 T N -2.706 111.846 114.554 -0.003 0.000 2.900 271 T HA 0.581 4.936 4.350 0.008 0.000 0.303 271 T C -0.505 174.191 174.700 -0.007 0.000 1.142 271 T CA -0.834 61.261 62.100 -0.009 0.000 1.007 271 T CB 2.316 71.176 68.868 -0.013 0.000 1.156 271 T HN -0.033 nan 8.240 nan 0.000 0.490 272 V N -0.588 119.317 119.914 -0.014 0.000 3.074 272 V HA 0.929 5.054 4.120 0.008 0.000 0.314 272 V C 0.373 176.455 176.094 -0.021 0.000 1.117 272 V CA -0.728 61.567 62.300 -0.008 0.000 1.014 272 V CB 1.381 33.207 31.823 0.005 0.000 1.057 272 V HN 1.395 nan 8.190 nan 0.000 0.438 273 S N 1.624 117.318 115.700 -0.010 0.000 2.589 273 S HA 0.237 4.713 4.470 0.008 0.000 0.265 273 S C 1.041 175.629 174.600 -0.021 0.000 1.342 273 S CA 0.294 58.486 58.200 -0.015 0.000 1.005 273 S CB 0.747 63.946 63.200 -0.001 0.000 0.909 273 S HN 1.245 nan 8.310 nan 0.000 0.555 274 L N 0.981 122.182 121.223 -0.035 0.000 2.043 274 L HA -0.146 4.199 4.340 0.008 0.000 0.212 274 L C 3.025 179.934 176.870 0.066 0.000 1.075 274 L CA 1.659 56.476 54.840 -0.039 0.000 0.752 274 L CB -0.333 41.702 42.059 -0.040 0.000 0.891 274 L HN 0.882 nan 8.230 nan 0.000 0.432 275 R N -0.212 120.321 120.500 0.056 0.000 2.080 275 R HA -0.262 4.083 4.340 0.008 0.000 0.236 275 R C 2.299 178.690 176.300 0.150 0.000 1.137 275 R CA 2.277 58.431 56.100 0.089 0.000 0.943 275 R CB -0.392 29.931 30.300 0.039 0.000 0.846 275 R HN 0.511 nan 8.270 nan 0.000 0.431 276 E N -0.435 119.823 120.200 0.097 0.000 2.110 276 E HA -0.182 4.173 4.350 0.008 0.000 0.193 276 E C 1.795 178.474 176.600 0.133 0.000 0.988 276 E CA 1.098 57.557 56.400 0.099 0.000 0.804 276 E CB -0.081 29.654 29.700 0.057 0.000 0.745 276 E HN 0.472 nan 8.360 nan 0.000 0.458 277 A N 0.548 123.442 122.820 0.122 0.000 1.908 277 A HA -0.214 4.111 4.320 0.008 0.000 0.218 277 A C 1.986 179.809 177.584 0.399 0.000 1.181 277 A CA 1.411 53.544 52.037 0.160 0.000 0.627 277 A CB -0.890 18.073 19.000 -0.062 0.000 0.818 277 A HN 0.506 nan 8.150 nan 0.000 0.445 278 F N 0.785 120.920 119.950 0.309 0.000 2.186 278 F HA -0.136 4.396 4.527 0.008 0.000 0.299 278 F C 2.240 178.117 175.800 0.128 0.000 1.090 278 F CA 1.913 60.105 58.000 0.319 0.000 1.307 278 F CB 0.023 39.170 39.000 0.244 0.000 1.019 278 F HN 0.127 nan 8.300 nan 0.000 0.489 279 V N -2.070 118.009 119.914 0.275 0.000 3.041 279 V HA 0.028 4.153 4.120 0.008 0.000 0.260 279 V C 0.819 176.943 176.094 0.050 0.000 1.105 279 V CA 0.716 63.106 62.300 0.149 0.000 1.125 279 V CB -0.802 31.118 31.823 0.162 0.000 0.730 279 V HN 0.115 nan 8.190 nan 0.000 0.479 280 K N 0.504 120.941 120.400 0.062 0.000 2.380 280 K HA 0.518 4.843 4.320 0.008 0.000 0.243 280 K C -0.220 176.401 176.600 0.035 0.000 1.071 280 K CA -0.050 56.266 56.287 0.049 0.000 0.942 280 K CB 1.526 34.068 32.500 0.071 0.000 1.324 280 K HN 0.147 nan 8.250 nan 0.000 0.517 281 S N 1.098 116.831 115.700 0.055 0.000 3.158 281 S HA 0.190 4.665 4.470 0.008 0.000 0.215 281 S C -0.766 173.898 174.600 0.107 0.000 1.359 281 S CA -0.726 57.513 58.200 0.066 0.000 0.974 281 S CB -0.928 62.330 63.200 0.097 0.000 1.336 281 S HN 0.487 nan 8.310 nan 0.000 0.488 282 c N 4.822 123.508 118.600 0.142 0.000 2.787 282 c HA 0.436 5.011 4.570 0.008 0.000 0.265 282 c C 1.536 175.773 174.090 0.245 0.000 1.190 282 c CA -1.202 55.227 56.329 0.167 0.000 1.616 282 c CB -1.072 41.525 42.510 0.145 0.000 1.732 282 c HN 0.729 nan 8.230 nan 0.000 0.433 283 N N 2.123 120.932 118.700 0.182 0.000 2.094 283 N HA -0.163 4.582 4.740 0.008 0.000 0.191 283 N C 2.136 177.750 175.510 0.173 0.000 1.023 283 N CA 2.345 55.505 53.050 0.182 0.000 0.857 283 N CB -0.371 38.192 38.487 0.126 0.000 1.013 283 N HN 0.803 nan 8.380 nan 0.000 0.426 284 T N -1.224 113.399 114.554 0.114 0.000 2.720 284 T HA -0.045 4.310 4.350 0.008 0.000 0.268 284 T C 2.022 176.749 174.700 0.044 0.000 1.037 284 T CA 1.594 63.737 62.100 0.072 0.000 1.144 284 T CB -0.595 68.300 68.868 0.046 0.000 0.864 284 T HN 0.207 nan 8.240 nan 0.000 0.444 285 A N 1.089 123.920 122.820 0.017 0.000 1.892 285 A HA 0.043 4.368 4.320 0.008 0.000 0.218 285 A C 2.070 179.528 177.584 -0.210 0.000 1.188 285 A CA 1.673 53.636 52.037 -0.123 0.000 0.631 285 A CB -1.193 17.683 19.000 -0.208 0.000 0.822 285 A HN 0.551 nan 8.150 nan 0.000 0.447 286 F N -0.633 119.340 119.950 0.039 0.000 2.367 286 F HA -0.046 4.486 4.527 0.009 0.000 0.298 286 F C 2.356 178.183 175.800 0.045 0.000 1.094 286 F CA 0.974 59.001 58.000 0.044 0.000 1.409 286 F CB -0.385 38.640 39.000 0.042 0.000 1.064 286 F HN 0.010 nan 8.300 nan 0.000 0.528 287 V N -0.039 119.980 119.914 0.175 0.000 2.255 287 V HA -0.366 3.759 4.120 0.008 0.000 0.247 287 V C 2.435 178.570 176.094 0.069 0.000 1.051 287 V CA 2.324 64.691 62.300 0.111 0.000 1.018 287 V CB -0.745 31.128 31.823 0.083 0.000 0.641 287 V HN 0.362 nan 8.190 nan 0.000 0.445 288 Q N -0.789 119.030 119.800 0.032 0.000 2.084 288 Q HA -0.241 4.105 4.340 0.008 0.000 0.202 288 Q C 2.233 178.233 176.000 -0.001 0.000 0.978 288 Q CA 2.012 57.817 55.803 0.005 0.000 0.844 288 Q CB -0.190 28.535 28.738 -0.021 0.000 0.898 288 Q HN 0.547 nan 8.270 nan 0.000 0.426 289 L N 0.120 121.328 121.223 -0.025 0.000 2.046 289 L HA -0.023 4.322 4.340 0.008 0.000 0.208 289 L C 2.111 179.009 176.870 0.048 0.000 1.077 289 L CA 2.346 57.175 54.840 -0.020 0.000 0.747 289 L CB -0.991 41.013 42.059 -0.091 0.000 0.896 289 L HN 0.293 nan 8.230 nan 0.000 0.432 290 G N -0.304 108.554 108.800 0.096 0.000 2.421 290 G HA2 -0.264 3.701 3.960 0.008 0.000 0.216 290 G HA3 -0.264 3.701 3.960 0.008 0.000 0.216 290 G C 1.638 176.582 174.900 0.074 0.000 1.171 290 G CA 1.232 46.397 45.100 0.108 0.000 0.775 290 G HN 0.466 nan 8.290 nan 0.000 0.543 291 I N -0.112 120.494 120.570 0.059 0.000 2.286 291 I HA -0.102 4.073 4.170 0.008 0.000 0.248 291 I C 2.850 178.986 176.117 0.033 0.000 1.115 291 I CA 0.889 62.215 61.300 0.043 0.000 1.392 291 I CB -0.178 37.843 38.000 0.035 0.000 1.065 291 I HN 0.084 nan 8.210 nan 0.000 0.418 292 R N 0.269 120.785 120.500 0.026 0.000 2.096 292 R HA -0.148 4.197 4.340 0.008 0.000 0.235 292 R C 2.192 178.505 176.300 0.022 0.000 1.127 292 R CA 1.961 58.072 56.100 0.017 0.000 0.968 292 R CB -0.159 30.144 30.300 0.005 0.000 0.861 292 R HN 0.309 nan 8.270 nan 0.000 0.440 293 T N -0.730 113.844 114.554 0.032 0.000 2.851 293 T HA 0.156 4.511 4.350 0.008 0.000 0.262 293 T C 0.778 175.501 174.700 0.038 0.000 1.043 293 T CA 0.921 63.043 62.100 0.036 0.000 1.140 293 T CB -0.018 68.878 68.868 0.047 0.000 0.872 293 T HN 0.611 nan 8.240 nan 0.000 0.446 294 G N 0.053 108.879 108.800 0.044 0.000 2.663 294 G HA2 0.180 4.145 3.960 0.008 0.000 0.686 294 G HA3 0.180 4.145 3.960 0.008 0.000 0.686 294 G C 0.609 175.539 174.900 0.051 0.000 1.288 294 G CA -0.311 44.814 45.100 0.042 0.000 0.836 294 G HN 0.405 nan 8.290 nan 0.000 0.584 295 A N -0.491 122.358 122.820 0.047 0.000 1.929 295 A HA 0.147 4.472 4.320 0.008 0.000 0.216 295 A C 2.021 179.636 177.584 0.052 0.000 1.176 295 A CA 2.385 54.454 52.037 0.053 0.000 0.628 295 A CB -0.424 18.602 19.000 0.044 0.000 0.816 295 A HN 0.749 nan 8.150 nan 0.000 0.444 296 D N 0.538 120.963 120.400 0.042 0.000 2.106 296 D HA -0.146 4.499 4.640 0.008 0.000 0.191 296 D C 2.206 178.534 176.300 0.046 0.000 0.997 296 D CA 1.939 55.963 54.000 0.039 0.000 0.834 296 D CB -0.477 40.342 40.800 0.031 0.000 0.956 296 D HN 0.415 nan 8.370 nan 0.000 0.448 297 A N 0.146 122.994 122.820 0.046 0.000 1.930 297 A HA -0.083 4.242 4.320 0.008 0.000 0.217 297 A C 2.148 179.771 177.584 0.064 0.000 1.175 297 A CA 0.821 52.888 52.037 0.049 0.000 0.627 297 A CB -0.623 18.403 19.000 0.043 0.000 0.815 297 A HN 0.221 nan 8.150 nan 0.000 0.443 298 L N -0.126 121.142 121.223 0.075 0.000 2.027 298 L HA -0.099 4.246 4.340 0.008 0.000 0.206 298 L C 2.485 179.425 176.870 0.117 0.000 1.074 298 L CA 1.821 56.721 54.840 0.100 0.000 0.745 298 L CB -0.520 41.614 42.059 0.124 0.000 0.898 298 L HN 0.327 nan 8.230 nan 0.000 0.433 299 R N -1.188 119.372 120.500 0.100 0.000 2.083 299 R HA -0.167 4.178 4.340 0.008 0.000 0.237 299 R C 2.527 178.883 176.300 0.093 0.000 1.137 299 R CA 1.575 57.734 56.100 0.098 0.000 0.951 299 R CB -0.736 29.607 30.300 0.071 0.000 0.851 299 R HN 0.494 nan 8.270 nan 0.000 0.434 300 S N 0.516 116.261 115.700 0.074 0.000 2.368 300 S HA -0.183 4.292 4.470 0.008 0.000 0.225 300 S C 1.937 176.584 174.600 0.078 0.000 1.030 300 S CA 1.292 59.529 58.200 0.063 0.000 0.999 300 S CB -0.043 63.184 63.200 0.045 0.000 0.844 300 S HN 0.154 nan 8.310 nan 0.000 0.459 301 M N 1.983 121.641 119.600 0.095 0.000 2.117 301 M HA 0.180 4.665 4.480 0.008 0.000 0.262 301 M C 2.077 178.505 176.300 0.214 0.000 1.065 301 M CA 1.606 56.991 55.300 0.141 0.000 1.114 301 M CB -1.160 31.515 32.600 0.126 0.000 1.361 301 M HN 0.379 nan 8.290 nan 0.000 0.408 302 A N -0.251 122.674 122.820 0.174 0.000 1.908 302 A HA -0.224 4.101 4.320 0.008 0.000 0.218 302 A C 2.308 180.011 177.584 0.198 0.000 1.181 302 A CA 2.141 54.305 52.037 0.211 0.000 0.627 302 A CB -0.683 18.470 19.000 0.256 0.000 0.818 302 A HN 0.546 nan 8.150 nan 0.000 0.445 303 R N -0.695 119.889 120.500 0.140 0.000 2.081 303 R HA -0.062 4.283 4.340 0.008 0.000 0.235 303 R C 2.442 178.789 176.300 0.079 0.000 1.131 303 R CA 1.292 57.452 56.100 0.099 0.000 0.960 303 R CB -0.472 29.869 30.300 0.069 0.000 0.856 303 R HN 0.518 nan 8.270 nan 0.000 0.436 304 A N -0.228 122.630 122.820 0.062 0.000 1.978 304 A HA -0.162 4.164 4.320 0.008 0.000 0.220 304 A C 1.531 179.047 177.584 -0.114 0.000 1.170 304 A CA 1.270 53.281 52.037 -0.043 0.000 0.636 304 A CB -0.468 18.478 19.000 -0.092 0.000 0.810 304 A HN 0.311 nan 8.150 nan 0.000 0.448 305 F N -0.987 118.963 119.950 -0.000 0.000 2.692 305 F HA 0.366 4.898 4.527 0.008 0.000 0.303 305 F C 1.774 177.582 175.800 0.014 0.000 1.114 305 F CA 0.742 58.738 58.000 -0.006 0.000 1.361 305 F CB 0.384 39.368 39.000 -0.028 0.000 1.063 305 F HN 0.381 nan 8.300 nan 0.000 0.550 306 G N -0.082 108.806 108.800 0.148 0.000 2.194 306 G HA2 -0.255 3.710 3.960 0.008 0.000 0.236 306 G HA3 -0.255 3.710 3.960 0.008 0.000 0.236 306 G C 0.121 175.086 174.900 0.109 0.000 0.987 306 G CA -0.480 44.684 45.100 0.107 0.000 0.635 306 G HN 0.090 nan 8.290 nan 0.000 0.520 307 L N 1.582 122.886 121.223 0.136 0.000 2.461 307 L HA 0.393 4.738 4.340 0.008 0.000 0.272 307 L C 1.261 178.185 176.870 0.090 0.000 1.197 307 L CA 1.196 56.107 54.840 0.118 0.000 0.836 307 L CB 0.411 42.562 42.059 0.154 0.000 1.105 307 L HN 0.320 nan 8.230 nan 0.000 0.477 308 D N 0.077 120.518 120.400 0.069 0.000 3.059 308 D HA -0.197 4.448 4.640 0.008 0.000 0.220 308 D C 0.022 176.351 176.300 0.048 0.000 1.169 308 D CA 1.147 55.178 54.000 0.053 0.000 0.902 308 D CB -0.622 40.210 40.800 0.052 0.000 1.116 308 D HN 0.479 nan 8.370 nan 0.000 0.417 309 S N 0.140 115.872 115.700 0.052 0.000 2.502 309 S HA 0.519 4.994 4.470 0.008 0.000 0.304 309 S C -2.624 172.003 174.600 0.046 0.000 1.097 309 S CA -1.370 56.858 58.200 0.046 0.000 1.045 309 S CB 1.957 65.185 63.200 0.048 0.000 1.019 309 S HN -0.254 nan 8.310 nan 0.000 0.481 310 P HA 0.217 nan 4.420 nan 0.000 0.266 310 P C -2.362 174.964 177.300 0.044 0.000 1.215 310 P CA -0.786 62.337 63.100 0.039 0.000 0.763 310 P CB -0.205 31.516 31.700 0.034 0.000 0.806 311 P HA 0.146 nan 4.420 nan 0.000 0.272 311 P C -0.073 177.256 177.300 0.048 0.000 1.230 311 P CA -0.156 62.974 63.100 0.049 0.000 0.788 311 P CB 0.776 32.506 31.700 0.049 0.000 0.949 312 R N 1.810 122.342 120.500 0.052 0.000 2.582 312 R HA 0.340 4.685 4.340 0.008 0.000 0.271 312 R C -1.839 174.490 176.300 0.049 0.000 1.078 312 R CA -1.677 54.456 56.100 0.056 0.000 1.127 312 R CB -0.766 29.576 30.300 0.069 0.000 1.038 312 R HN 0.469 nan 8.270 nan 0.000 0.500 313 P HA 0.031 nan 4.420 nan 0.000 0.269 313 P C 0.409 177.740 177.300 0.052 0.000 1.215 313 P CA 0.081 63.209 63.100 0.046 0.000 0.780 313 P CB 0.487 32.213 31.700 0.043 0.000 0.898 314 T N -3.596 110.991 114.554 0.054 0.000 3.023 314 T HA 0.195 4.550 4.350 0.008 0.000 0.253 314 T C -1.238 173.510 174.700 0.081 0.000 1.038 314 T CA -0.170 61.971 62.100 0.068 0.000 0.962 314 T CB -0.926 67.976 68.868 0.056 0.000 1.018 314 T HN 0.273 nan 8.240 nan 0.000 0.521 315 P HA 0.279 nan 4.420 nan 0.000 0.255 315 P C 0.379 177.704 177.300 0.041 0.000 1.248 315 P CA -0.153 62.977 63.100 0.049 0.000 0.807 315 P CB -0.033 31.692 31.700 0.042 0.000 1.150 316 L N 0.510 121.759 121.223 0.043 0.000 2.456 316 L HA 0.104 4.449 4.340 0.008 0.000 0.272 316 L C 1.020 177.913 176.870 0.039 0.000 1.189 316 L CA -0.112 54.751 54.840 0.039 0.000 0.846 316 L CB -0.144 41.940 42.059 0.041 0.000 1.111 316 L HN -0.012 nan 8.230 nan 0.000 0.475 317 Q N 1.851 121.672 119.800 0.035 0.000 2.332 317 Q HA 0.276 4.621 4.340 0.008 0.000 0.263 317 Q C -0.803 175.220 176.000 0.038 0.000 0.979 317 Q CA -0.272 55.552 55.803 0.035 0.000 0.885 317 Q CB 1.636 30.392 28.738 0.031 0.000 1.218 317 Q HN 0.379 nan 8.270 nan 0.000 0.405 318 V N 1.744 121.682 119.914 0.040 0.000 2.459 318 V HA 0.440 4.565 4.120 0.008 0.000 0.295 318 V C 0.069 176.187 176.094 0.039 0.000 1.029 318 V CA -0.925 61.401 62.300 0.044 0.000 0.874 318 V CB 1.426 33.279 31.823 0.050 0.000 0.985 318 V HN 0.903 nan 8.190 nan 0.000 0.438 319 A N 3.283 126.125 122.820 0.036 0.000 2.483 319 A HA 0.239 4.564 4.320 0.008 0.000 0.238 319 A C 0.401 178.005 177.584 0.033 0.000 1.070 319 A CA 0.006 52.059 52.037 0.026 0.000 0.770 319 A CB 0.044 19.051 19.000 0.011 0.000 1.008 319 A HN 0.927 nan 8.150 nan 0.000 0.497 320 E N 1.749 121.966 120.200 0.028 0.000 2.344 320 E HA 0.254 4.609 4.350 0.008 0.000 0.270 320 E C -0.423 176.197 176.600 0.034 0.000 1.021 320 E CA -0.134 56.286 56.400 0.034 0.000 0.887 320 E CB 0.427 30.145 29.700 0.029 0.000 0.997 320 E HN 0.602 nan 8.360 nan 0.000 0.429 321 S N 2.658 118.386 115.700 0.047 0.000 2.586 321 S HA 0.335 4.810 4.470 0.008 0.000 0.274 321 S C -0.154 174.472 174.600 0.043 0.000 1.281 321 S CA -0.509 57.720 58.200 0.049 0.000 1.035 321 S CB 1.735 64.977 63.200 0.070 0.000 0.962 321 S HN 0.589 nan 8.310 nan 0.000 0.512 322 T N 0.240 114.808 114.554 0.024 0.000 2.900 322 T HA 0.408 4.763 4.350 0.008 0.000 0.303 322 T C 0.218 174.906 174.700 -0.019 0.000 1.142 322 T CA -0.522 61.587 62.100 0.015 0.000 1.007 322 T CB 1.557 70.428 68.868 0.006 0.000 1.156 322 T HN 0.279 nan 8.240 nan 0.000 0.490 323 V N 2.424 122.335 119.914 -0.004 0.000 3.471 323 V HA 0.529 4.654 4.120 0.008 0.000 0.258 323 V C 1.136 177.197 176.094 -0.056 0.000 1.192 323 V CA 1.482 63.755 62.300 -0.046 0.000 1.116 323 V CB -0.763 31.096 31.823 0.061 0.000 0.792 323 V HN 1.520 nan 8.190 nan 0.000 0.459 324 G N 0.701 109.487 108.800 -0.025 0.000 2.781 324 G HA2 -0.148 3.817 3.960 0.008 0.000 0.683 324 G HA3 -0.148 3.817 3.960 0.008 0.000 0.683 324 G C -1.306 173.593 174.900 -0.001 0.000 1.390 324 G CA -0.144 44.945 45.100 -0.018 0.000 0.850 324 G HN 0.230 nan 8.290 nan 0.000 0.557 325 P HA -0.015 nan 4.420 nan 0.000 0.217 325 P C 1.251 178.559 177.300 0.014 0.000 1.150 325 P CA 1.535 64.640 63.100 0.010 0.000 0.832 325 P CB -0.098 31.606 31.700 0.008 0.000 0.787 326 I N -0.613 119.963 120.570 0.010 0.000 7.356 326 I HA -0.162 4.013 4.170 0.008 0.000 0.126 326 I C -1.133 174.994 176.117 0.017 0.000 1.829 326 I CA -0.396 60.913 61.300 0.016 0.000 2.068 326 I CB -1.546 36.470 38.000 0.028 0.000 3.620 326 I HN 0.131 nan 8.210 nan 0.000 0.179 327 P HA -0.082 nan 4.420 nan 0.000 0.218 327 P C 0.158 177.466 177.300 0.014 0.000 1.149 327 P CA 1.691 64.798 63.100 0.012 0.000 0.817 327 P CB 0.074 31.779 31.700 0.009 0.000 0.785 328 D N -2.905 117.504 120.400 0.015 0.000 2.643 328 D HA 0.109 4.755 4.640 0.008 0.000 0.283 328 D C 0.825 177.136 176.300 0.019 0.000 1.242 328 D CA -0.357 53.652 54.000 0.016 0.000 0.863 328 D CB -0.036 40.771 40.800 0.012 0.000 1.382 328 D HN -0.216 nan 8.370 nan 0.000 0.444 329 S N -0.579 115.132 115.700 0.020 0.000 2.400 329 S HA -0.172 4.303 4.470 0.008 0.000 0.232 329 S C 2.047 176.661 174.600 0.024 0.000 1.025 329 S CA 1.181 59.395 58.200 0.023 0.000 0.993 329 S CB -0.947 62.266 63.200 0.021 0.000 0.808 329 S HN 0.723 nan 8.310 nan 0.000 0.478 330 A N 2.281 125.113 122.820 0.019 0.000 1.877 330 A HA 0.238 4.563 4.320 0.008 0.000 0.216 330 A C 2.564 180.160 177.584 0.020 0.000 1.186 330 A CA 1.893 53.941 52.037 0.019 0.000 0.620 330 A CB -1.499 17.509 19.000 0.013 0.000 0.822 330 A HN 0.891 nan 8.150 nan 0.000 0.443 331 A N -0.781 122.050 122.820 0.017 0.000 1.930 331 A HA 0.038 4.363 4.320 0.008 0.000 0.217 331 A C 2.106 179.703 177.584 0.023 0.000 1.175 331 A CA 1.619 53.664 52.037 0.014 0.000 0.627 331 A CB -0.539 18.467 19.000 0.010 0.000 0.815 331 A HN 0.651 nan 8.150 nan 0.000 0.443 332 L N 0.244 121.486 121.223 0.032 0.000 2.017 332 L HA -0.016 4.329 4.340 0.008 0.000 0.208 332 L C 2.404 179.310 176.870 0.060 0.000 1.073 332 L CA 2.376 57.245 54.840 0.048 0.000 0.745 332 L CB -1.211 40.877 42.059 0.048 0.000 0.894 332 L HN 0.296 nan 8.230 nan 0.000 0.432 333 G N -0.527 108.304 108.800 0.052 0.000 2.476 333 G HA2 -0.336 3.629 3.960 0.008 0.000 0.218 333 G HA3 -0.336 3.629 3.960 0.008 0.000 0.218 333 G C 1.543 176.481 174.900 0.064 0.000 1.164 333 G CA 1.360 46.497 45.100 0.061 0.000 0.768 333 G HN 0.451 nan 8.290 nan 0.000 0.560 334 M N 0.137 119.763 119.600 0.043 0.000 2.156 334 M HA -0.031 4.454 4.480 0.008 0.000 0.264 334 M C 2.804 179.114 176.300 0.017 0.000 1.067 334 M CA 1.593 56.910 55.300 0.029 0.000 1.131 334 M CB -0.495 32.113 32.600 0.012 0.000 1.368 334 M HN 0.130 nan 8.290 nan 0.000 0.416 335 T N 0.274 114.835 114.554 0.011 0.000 2.746 335 T HA -0.097 4.258 4.350 0.008 0.000 0.267 335 T C 1.910 176.657 174.700 0.078 0.000 1.039 335 T CA 1.707 63.792 62.100 -0.025 0.000 1.142 335 T CB -0.248 68.620 68.868 0.000 0.000 0.866 335 T HN 0.341 nan 8.240 nan 0.000 0.444 336 S N 1.550 117.342 115.700 0.154 0.000 2.440 336 S HA -0.025 4.450 4.470 0.008 0.000 0.238 336 S C 1.686 176.424 174.600 0.230 0.000 1.010 336 S CA 0.861 59.203 58.200 0.236 0.000 0.972 336 S CB -0.488 62.828 63.200 0.192 0.000 0.774 336 S HN 0.771 nan 8.310 nan 0.000 0.501 337 I N -2.430 118.227 120.570 0.145 0.000 3.877 337 I HA 0.553 4.728 4.170 0.008 0.000 0.332 337 I C 0.897 177.040 176.117 0.043 0.000 1.525 337 I CA -0.112 61.239 61.300 0.085 0.000 1.146 337 I CB -0.301 37.747 38.000 0.080 0.000 1.137 337 I HN 0.163 nan 8.210 nan 0.000 0.424 338 G N 0.967 109.776 108.800 0.015 0.000 2.198 338 G HA2 -0.223 3.742 3.960 0.008 0.000 0.260 338 G HA3 -0.223 3.742 3.960 0.008 0.000 0.260 338 G C 0.201 175.016 174.900 -0.143 0.000 1.025 338 G CA 0.525 45.512 45.100 -0.188 0.000 0.769 338 G HN 0.540 nan 8.290 nan 0.000 0.507 339 Q N -1.300 118.447 119.800 -0.088 0.000 3.083 339 Q HA 0.691 5.036 4.340 0.008 0.000 0.197 339 Q C 1.114 177.076 176.000 -0.062 0.000 1.107 339 Q CA 0.071 55.850 55.803 -0.039 0.000 0.675 339 Q CB 0.098 28.840 28.738 0.006 0.000 3.807 339 Q HN 0.278 nan 8.270 nan 0.000 0.357 340 K N 0.183 120.567 120.400 -0.027 0.000 1.699 340 K HA -0.223 4.102 4.320 0.008 0.000 0.127 340 K C 0.156 176.734 176.600 -0.036 0.000 1.157 340 K CA 2.309 58.579 56.287 -0.028 0.000 0.341 340 K CB -1.583 30.899 32.500 -0.030 0.000 0.645 340 K HN 0.710 nan 8.250 nan 0.000 0.848 341 D N 0.289 120.657 120.400 -0.054 0.000 2.363 341 D HA 0.139 4.784 4.640 0.008 0.000 0.214 341 D C -0.337 175.911 176.300 -0.086 0.000 1.093 341 D CA 0.307 54.278 54.000 -0.050 0.000 0.837 341 D CB 0.142 40.922 40.800 -0.033 0.000 0.948 341 D HN 0.187 nan 8.370 nan 0.000 0.507 342 V N 1.511 121.328 119.914 -0.162 0.000 2.529 342 V HA 0.384 4.509 4.120 0.008 0.000 0.292 342 V C 0.509 176.516 176.094 -0.145 0.000 1.028 342 V CA -0.276 61.865 62.300 -0.264 0.000 1.074 342 V CB 0.712 32.166 31.823 -0.615 0.000 0.958 342 V HN 0.171 nan 8.190 nan 0.000 0.481 343 A N 6.238 129.004 122.820 -0.089 0.000 2.402 343 A HA 0.832 5.157 4.320 0.008 0.000 0.291 343 A C -1.306 176.295 177.584 0.028 0.000 1.051 343 A CA -0.427 51.609 52.037 -0.001 0.000 0.716 343 A CB 1.091 20.091 19.000 -0.001 0.000 1.223 343 A HN 0.609 nan 8.150 nan 0.000 0.425 344 L N 1.597 122.880 121.223 0.100 0.000 2.370 344 L HA 0.682 5.027 4.340 0.008 0.000 0.266 344 L C 0.941 177.956 176.870 0.241 0.000 1.002 344 L CA -0.091 54.822 54.840 0.123 0.000 0.818 344 L CB 2.276 44.367 42.059 0.055 0.000 1.325 344 L HN 0.844 nan 8.230 nan 0.000 0.418 345 T N -0.884 113.787 114.554 0.194 0.000 2.898 345 T HA 0.262 4.617 4.350 0.008 0.000 0.301 345 T C -1.999 172.915 174.700 0.357 0.000 1.049 345 T CA -1.330 60.922 62.100 0.254 0.000 1.095 345 T CB 0.806 69.766 68.868 0.154 0.000 0.976 345 T HN 0.421 nan 8.240 nan 0.000 0.539 346 P HA -0.102 nan 4.420 nan 0.000 0.216 346 P C 1.677 179.123 177.300 0.243 0.000 1.150 346 P CA 0.374 63.712 63.100 0.397 0.000 0.843 346 P CB -0.065 31.762 31.700 0.211 0.000 0.787 347 L N -0.162 121.163 121.223 0.169 0.000 2.042 347 L HA -0.140 4.205 4.340 0.008 0.000 0.210 347 L C 2.220 179.151 176.870 0.103 0.000 1.076 347 L CA 2.213 57.122 54.840 0.115 0.000 0.749 347 L CB -1.567 40.545 42.059 0.089 0.000 0.893 347 L HN -0.102 nan 8.230 nan 0.000 0.432 348 A N -0.717 122.169 122.820 0.109 0.000 1.933 348 A HA -0.230 4.095 4.320 0.008 0.000 0.218 348 A C 2.186 179.803 177.584 0.056 0.000 1.175 348 A CA 1.810 53.900 52.037 0.087 0.000 0.628 348 A CB -0.819 18.235 19.000 0.090 0.000 0.814 348 A HN 0.594 nan 8.150 nan 0.000 0.444 349 N N 0.120 118.846 118.700 0.043 0.000 2.216 349 N HA -0.014 4.731 4.740 0.008 0.000 0.183 349 N C 1.789 177.303 175.510 0.007 0.000 1.017 349 N CA 1.380 54.397 53.050 -0.055 0.000 0.861 349 N CB -0.369 37.981 38.487 -0.228 0.000 0.986 349 N HN 0.381 nan 8.380 nan 0.000 0.428 350 A N 0.822 123.685 122.820 0.072 0.000 1.930 350 A HA -0.096 4.229 4.320 0.008 0.000 0.217 350 A C 2.025 179.642 177.584 0.055 0.000 1.175 350 A CA 1.246 53.326 52.037 0.071 0.000 0.627 350 A CB -0.464 18.586 19.000 0.083 0.000 0.815 350 A HN 0.382 nan 8.150 nan 0.000 0.443 351 E N -0.349 119.886 120.200 0.058 0.000 2.110 351 E HA -0.156 4.199 4.350 0.008 0.000 0.193 351 E C 1.821 178.480 176.600 0.098 0.000 0.988 351 E CA 1.109 57.547 56.400 0.064 0.000 0.804 351 E CB -0.275 29.469 29.700 0.073 0.000 0.745 351 E HN 0.715 nan 8.360 nan 0.000 0.458 352 I N 1.014 121.638 120.570 0.091 0.000 2.179 352 I HA -0.275 3.900 4.170 0.008 0.000 0.242 352 I C 2.566 178.733 176.117 0.082 0.000 1.088 352 I CA 0.969 62.328 61.300 0.100 0.000 1.357 352 I CB -0.306 37.600 38.000 -0.157 0.000 1.051 352 I HN 0.081 nan 8.210 nan 0.000 0.409 353 A N 0.698 123.546 122.820 0.046 0.000 1.908 353 A HA -0.191 4.135 4.320 0.008 0.000 0.218 353 A C 2.512 180.085 177.584 -0.018 0.000 1.181 353 A CA 1.985 54.085 52.037 0.105 0.000 0.627 353 A CB -0.845 18.246 19.000 0.152 0.000 0.818 353 A HN 0.447 nan 8.150 nan 0.000 0.445 354 A N -1.226 121.583 122.820 -0.019 0.000 1.930 354 A HA -0.027 4.298 4.320 0.008 0.000 0.217 354 A C 2.282 179.790 177.584 -0.126 0.000 1.175 354 A CA 2.143 54.128 52.037 -0.086 0.000 0.627 354 A CB -1.147 17.838 19.000 -0.025 0.000 0.815 354 A HN 0.429 nan 8.150 nan 0.000 0.443 355 T N 0.480 115.013 114.554 -0.034 0.000 2.708 355 T HA -0.114 4.242 4.350 0.008 0.000 0.266 355 T C 1.800 176.452 174.700 -0.080 0.000 1.037 355 T CA 1.613 63.695 62.100 -0.030 0.000 1.146 355 T CB -0.410 68.502 68.868 0.072 0.000 0.865 355 T HN 0.427 nan 8.240 nan 0.000 0.435 356 I N 1.347 121.886 120.570 -0.052 0.000 2.179 356 I HA -0.184 3.991 4.170 0.008 0.000 0.242 356 I C 2.943 178.792 176.117 -0.446 0.000 1.088 356 I CA 1.098 62.323 61.300 -0.124 0.000 1.357 356 I CB -0.526 37.484 38.000 0.018 0.000 1.051 356 I HN 0.189 nan 8.210 nan 0.000 0.409 357 A N 0.578 122.843 122.820 -0.924 0.000 1.917 357 A HA -0.268 4.057 4.320 0.008 0.000 0.219 357 A C 1.821 179.136 177.584 -0.449 0.000 1.182 357 A CA 2.232 53.573 52.037 -1.161 0.000 0.633 357 A CB -0.758 17.602 19.000 -1.068 0.000 0.819 357 A HN 0.461 nan 8.150 nan 0.000 0.448 358 N N -0.497 118.031 118.700 -0.286 0.000 2.410 358 N HA 0.280 5.025 4.740 0.008 0.000 0.231 358 N C 0.789 176.227 175.510 -0.119 0.000 1.172 358 N CA 0.870 53.827 53.050 -0.155 0.000 0.849 358 N CB -0.498 37.921 38.487 -0.113 0.000 1.116 358 N HN 0.578 nan 8.380 nan 0.000 0.485 359 G N -0.652 108.072 108.800 -0.127 0.000 2.203 359 G HA2 -0.233 3.732 3.960 0.008 0.000 0.263 359 G HA3 -0.233 3.732 3.960 0.008 0.000 0.263 359 G C 0.910 175.763 174.900 -0.078 0.000 1.012 359 G CA 0.331 45.382 45.100 -0.082 0.000 0.749 359 G HN 1.069 nan 8.290 nan 0.000 0.512 360 G N -1.632 107.109 108.800 -0.097 0.000 2.176 360 G HA2 -0.208 3.758 3.960 0.008 0.000 0.232 360 G HA3 -0.208 3.758 3.960 0.008 0.000 0.232 360 G C 0.317 175.127 174.900 -0.150 0.000 0.986 360 G CA 0.202 45.230 45.100 -0.120 0.000 0.643 360 G HN 1.277 nan 8.290 nan 0.000 0.522 361 I N 2.540 123.043 120.570 -0.112 0.000 2.315 361 I HA 0.323 4.498 4.170 0.008 0.000 0.291 361 I C 0.316 176.380 176.117 -0.088 0.000 1.006 361 I CA -0.433 60.810 61.300 -0.095 0.000 1.265 361 I CB 1.504 39.469 38.000 -0.059 0.000 1.387 361 I HN -0.015 nan 8.210 nan 0.000 0.475 362 T N 7.370 121.871 114.554 -0.089 0.000 2.749 362 T HA 0.347 4.702 4.350 0.008 0.000 0.295 362 T C 0.206 174.884 174.700 -0.036 0.000 0.936 362 T CA -0.513 61.552 62.100 -0.058 0.000 1.060 362 T CB 0.390 69.223 68.868 -0.058 0.000 0.904 362 T HN 0.277 nan 8.240 nan 0.000 0.500 363 M N 2.679 122.258 119.600 -0.034 0.000 2.277 363 M HA 0.343 4.828 4.480 0.008 0.000 0.350 363 M C 0.518 176.776 176.300 -0.071 0.000 1.180 363 M CA -0.801 54.473 55.300 -0.043 0.000 1.103 363 M CB 0.805 33.397 32.600 -0.014 0.000 1.577 363 M HN 0.546 nan 8.290 nan 0.000 0.459 364 R N 3.571 123.962 120.500 -0.183 0.000 2.458 364 R HA 0.182 4.527 4.340 0.008 0.000 0.303 364 R C -2.358 173.917 176.300 -0.043 0.000 1.013 364 R CA -0.960 55.015 56.100 -0.208 0.000 1.026 364 R CB 0.057 30.010 30.300 -0.578 0.000 0.948 364 R HN 0.274 nan 8.270 nan 0.000 0.417 365 P HA 0.042 nan 4.420 nan 0.000 0.271 365 P C -1.627 175.735 177.300 0.104 0.000 1.220 365 P CA 0.230 63.344 63.100 0.022 0.000 0.768 365 P CB 0.271 31.975 31.700 0.007 0.000 0.848 366 Y N 1.145 121.418 120.300 -0.046 0.000 2.534 366 Y HA 0.614 5.169 4.550 0.008 0.000 0.345 366 Y C -0.235 175.661 175.900 -0.007 0.000 1.031 366 Y CA -1.172 56.910 58.100 -0.031 0.000 1.022 366 Y CB 0.904 39.336 38.460 -0.046 0.000 1.292 366 Y HN 0.119 nan 8.280 nan 0.000 0.459 367 L N 2.063 123.334 121.223 0.080 0.000 2.575 367 L HA 0.461 4.806 4.340 0.008 0.000 0.228 367 L C -0.657 176.255 176.870 0.070 0.000 1.075 367 L CA 0.320 55.168 54.840 0.014 0.000 0.867 367 L CB 0.781 42.860 42.059 0.033 0.000 1.097 367 L HN 0.566 nan 8.230 nan 0.000 0.485 368 V N 0.969 120.983 119.914 0.167 0.000 2.333 368 V HA 0.455 4.580 4.120 0.008 0.000 0.274 368 V C 1.380 177.614 176.094 0.234 0.000 1.028 368 V CA 0.194 62.581 62.300 0.145 0.000 0.851 368 V CB 0.637 32.516 31.823 0.093 0.000 1.000 368 V HN 0.308 nan 8.190 nan 0.000 0.456 369 G N 3.875 112.784 108.800 0.182 0.000 2.396 369 G HA2 0.111 4.076 3.960 0.008 0.000 0.214 369 G HA3 0.111 4.076 3.960 0.008 0.000 0.214 369 G C 0.538 175.505 174.900 0.112 0.000 1.166 369 G CA 0.932 46.160 45.100 0.213 0.000 0.793 369 G HN 0.847 nan 8.290 nan 0.000 0.533 370 S N -1.526 114.214 115.700 0.067 0.000 2.565 370 S HA 0.682 5.157 4.470 0.008 0.000 0.269 370 S C -1.344 173.267 174.600 0.018 0.000 1.153 370 S CA -0.954 57.265 58.200 0.032 0.000 0.835 370 S CB 1.590 64.804 63.200 0.023 0.000 1.122 370 S HN 0.102 nan 8.310 nan 0.000 0.462 371 L N 1.194 122.421 121.223 0.006 0.000 2.334 371 L HA 0.687 5.032 4.340 0.008 0.000 0.276 371 L C -0.334 176.530 176.870 -0.010 0.000 1.014 371 L CA -0.686 54.152 54.840 -0.004 0.000 0.815 371 L CB 1.945 44.000 42.059 -0.007 0.000 1.268 371 L HN 0.713 nan 8.230 nan 0.000 0.428 372 K N 0.566 120.956 120.400 -0.017 0.000 2.385 372 K HA 0.621 4.946 4.320 0.008 0.000 0.248 372 K C -0.063 176.521 176.600 -0.027 0.000 0.955 372 K CA -0.721 55.554 56.287 -0.020 0.000 0.816 372 K CB 2.192 34.680 32.500 -0.020 0.000 1.250 372 K HN 0.671 nan 8.250 nan 0.000 0.434 373 G N 0.991 109.776 108.800 -0.025 0.000 2.621 373 G HA2 0.128 4.093 3.960 0.008 0.000 0.271 373 G HA3 0.128 4.093 3.960 0.008 0.000 0.271 373 G C -1.547 173.333 174.900 -0.034 0.000 1.236 373 G CA -1.099 43.983 45.100 -0.029 0.000 0.958 373 G HN 0.348 nan 8.290 nan 0.000 0.512 374 P HA -0.111 nan 4.420 nan 0.000 0.216 374 P C 0.941 178.221 177.300 -0.032 0.000 1.150 374 P CA 1.545 64.621 63.100 -0.041 0.000 0.837 374 P CB 0.038 31.713 31.700 -0.042 0.000 0.786 375 D N -0.040 120.345 120.400 -0.026 0.000 2.363 375 D HA -0.077 4.568 4.640 0.008 0.000 0.226 375 D C 1.018 177.306 176.300 -0.021 0.000 1.020 375 D CA -0.139 53.848 54.000 -0.021 0.000 0.892 375 D CB -1.083 39.707 40.800 -0.017 0.000 0.900 375 D HN 0.167 nan 8.370 nan 0.000 0.531 376 L N -1.893 119.316 121.223 -0.024 0.000 4.179 376 L HA -0.235 4.110 4.340 0.008 0.000 0.418 376 L C 0.570 177.430 176.870 -0.017 0.000 1.168 376 L CA 0.168 54.995 54.840 -0.022 0.000 0.972 376 L CB -2.309 39.737 42.059 -0.023 0.000 2.005 376 L HN 0.233 nan 8.230 nan 0.000 0.935 377 A N 0.042 122.852 122.820 -0.016 0.000 2.462 377 A HA 0.420 4.745 4.320 0.008 0.000 0.243 377 A C 0.562 178.138 177.584 -0.013 0.000 1.076 377 A CA 0.115 52.144 52.037 -0.014 0.000 0.773 377 A CB 0.103 19.095 19.000 -0.013 0.000 1.010 377 A HN 0.380 nan 8.150 nan 0.000 0.493 378 N N 1.190 119.884 118.700 -0.011 0.000 2.470 378 N HA 0.317 5.062 4.740 0.008 0.000 0.268 378 N C 0.734 176.238 175.510 -0.010 0.000 1.136 378 N CA -0.004 53.040 53.050 -0.009 0.000 0.961 378 N CB 0.713 39.197 38.487 -0.006 0.000 1.067 378 N HN 0.638 nan 8.380 nan 0.000 0.468 379 I N -0.151 120.412 120.570 -0.011 0.000 2.731 379 I HA 0.079 4.254 4.170 0.008 0.000 0.260 379 I C 0.364 176.475 176.117 -0.011 0.000 1.138 379 I CA 0.611 61.904 61.300 -0.012 0.000 1.461 379 I CB 0.316 38.307 38.000 -0.015 0.000 1.128 379 I HN 0.345 nan 8.210 nan 0.000 0.438 380 S N -0.975 114.720 115.700 -0.009 0.000 2.542 380 S HA 0.431 4.906 4.470 0.008 0.000 0.276 380 S C -0.869 173.726 174.600 -0.008 0.000 1.148 380 S CA -0.469 57.725 58.200 -0.011 0.000 0.886 380 S CB 1.747 64.941 63.200 -0.011 0.000 1.109 380 S HN 0.003 nan 8.310 nan 0.000 0.458 381 T N 2.999 117.545 114.554 -0.014 0.000 2.812 381 T HA 0.426 4.781 4.350 0.008 0.000 0.282 381 T C -0.467 174.205 174.700 -0.047 0.000 0.990 381 T CA -0.497 61.594 62.100 -0.015 0.000 0.960 381 T CB 1.417 70.280 68.868 -0.009 0.000 0.948 381 T HN 0.557 nan 8.240 nan 0.000 0.438 382 T N 2.740 117.248 114.554 -0.076 0.000 2.853 382 T HA 0.208 4.564 4.350 0.008 0.000 0.298 382 T C 0.463 175.004 174.700 -0.265 0.000 0.978 382 T CA -0.279 61.698 62.100 -0.205 0.000 1.152 382 T CB 0.655 69.314 68.868 -0.349 0.000 0.914 382 T HN 0.489 nan 8.240 nan 0.000 0.539 383 V N 4.055 123.843 119.914 -0.209 0.000 2.461 383 V HA 0.639 4.764 4.120 0.008 0.000 0.275 383 V C 0.683 176.648 176.094 -0.215 0.000 1.047 383 V CA -0.421 61.792 62.300 -0.145 0.000 0.955 383 V CB 0.587 32.387 31.823 -0.038 0.000 0.988 383 V HN 0.970 nan 8.190 nan 0.000 0.471 384 G N 6.632 115.330 108.800 -0.170 0.000 2.370 384 G HA2 0.487 4.452 3.960 0.008 0.000 0.272 384 G HA3 0.487 4.452 3.960 0.008 0.000 0.272 384 G C -0.971 173.946 174.900 0.028 0.000 1.208 384 G CA -0.150 44.876 45.100 -0.122 0.000 0.856 384 G HN 1.284 nan 8.290 nan 0.000 0.500 385 Y N -0.536 119.743 120.300 -0.036 0.000 2.553 385 Y HA 0.571 5.125 4.550 0.008 0.000 0.347 385 Y C -0.105 175.792 175.900 -0.005 0.000 1.019 385 Y CA -1.471 56.615 58.100 -0.023 0.000 1.032 385 Y CB 1.428 39.866 38.460 -0.036 0.000 1.284 385 Y HN 0.411 nan 8.280 nan 0.000 0.466 386 Q N 3.816 123.782 119.800 0.277 0.000 2.348 386 Q HA 0.078 4.423 4.340 0.008 0.000 0.251 386 Q C 0.476 176.626 176.000 0.250 0.000 1.113 386 Q CA -0.074 55.826 55.803 0.162 0.000 0.902 386 Q CB 1.422 30.211 28.738 0.084 0.000 1.333 386 Q HN 0.906 nan 8.270 nan 0.000 0.457 387 Q N 2.187 122.090 119.800 0.172 0.000 1.993 387 Q HA -0.142 4.203 4.340 0.008 0.000 0.202 387 Q C 0.340 176.401 176.000 0.100 0.000 0.984 387 Q CA 1.480 57.398 55.803 0.193 0.000 0.837 387 Q CB 0.323 29.108 28.738 0.078 0.000 0.902 387 Q HN 0.550 nan 8.270 nan 0.000 0.423 388 R N -0.893 119.623 120.500 0.027 0.000 2.687 388 R HA 0.372 4.717 4.340 0.008 0.000 0.265 388 R C -1.543 174.716 176.300 -0.069 0.000 1.048 388 R CA -0.805 55.284 56.100 -0.019 0.000 0.884 388 R CB 0.965 31.248 30.300 -0.028 0.000 1.258 388 R HN -0.056 nan 8.270 nan 0.000 0.469 389 R N 1.225 121.675 120.500 -0.082 0.000 2.234 389 R HA 0.413 4.758 4.340 0.008 0.000 0.324 389 R C 0.384 176.569 176.300 -0.192 0.000 1.054 389 R CA 0.619 56.645 56.100 -0.123 0.000 0.912 389 R CB 1.288 31.534 30.300 -0.089 0.000 1.030 389 R HN 0.803 nan 8.270 nan 0.000 0.455 390 A N 4.713 127.337 122.820 -0.326 0.000 1.911 390 A HA 0.107 4.432 4.320 0.008 0.000 0.212 390 A C 0.447 177.795 177.584 -0.394 0.000 1.189 390 A CA 1.066 52.781 52.037 -0.537 0.000 0.639 390 A CB 0.168 18.417 19.000 -1.252 0.000 0.839 390 A HN 0.558 nan 8.150 nan 0.000 0.449 391 V N -2.595 117.147 119.914 -0.286 0.000 3.114 391 V HA 0.665 4.790 4.120 0.008 0.000 0.308 391 V C -0.035 176.005 176.094 -0.089 0.000 1.168 391 V CA -0.544 61.675 62.300 -0.134 0.000 1.015 391 V CB 1.172 32.966 31.823 -0.048 0.000 1.050 391 V HN 0.624 nan 8.190 nan 0.000 0.433 392 S N 1.445 117.114 115.700 -0.052 0.000 2.569 392 S HA 0.283 4.758 4.470 0.008 0.000 0.274 392 S C -1.614 172.964 174.600 -0.036 0.000 1.353 392 S CA 0.142 58.318 58.200 -0.039 0.000 1.023 392 S CB 0.433 63.618 63.200 -0.025 0.000 0.876 392 S HN 0.759 nan 8.310 nan 0.000 0.540 393 P HA -0.110 nan 4.420 nan 0.000 0.216 393 P C 1.317 178.607 177.300 -0.017 0.000 1.150 393 P CA 1.272 64.356 63.100 -0.027 0.000 0.837 393 P CB -0.043 31.642 31.700 -0.024 0.000 0.786 394 Q N -0.872 118.919 119.800 -0.015 0.000 2.084 394 Q HA -0.102 4.243 4.340 0.008 0.000 0.202 394 Q C 2.118 178.112 176.000 -0.009 0.000 0.978 394 Q CA 1.319 57.116 55.803 -0.011 0.000 0.844 394 Q CB -1.334 27.398 28.738 -0.010 0.000 0.898 394 Q HN 0.110 nan 8.270 nan 0.000 0.426 395 V N 0.567 120.477 119.914 -0.007 0.000 2.453 395 V HA -0.197 3.928 4.120 0.008 0.000 0.247 395 V C 2.142 178.240 176.094 0.007 0.000 1.048 395 V CA 1.535 63.835 62.300 -0.000 0.000 1.049 395 V CB -0.979 30.849 31.823 0.010 0.000 0.672 395 V HN 0.435 nan 8.190 nan 0.000 0.457 396 A N 0.157 122.981 122.820 0.007 0.000 1.908 396 A HA -0.151 4.174 4.320 0.008 0.000 0.218 396 A C 2.421 180.017 177.584 0.020 0.000 1.181 396 A CA 2.142 54.187 52.037 0.014 0.000 0.627 396 A CB -0.741 18.249 19.000 -0.017 0.000 0.818 396 A HN 0.559 nan 8.150 nan 0.000 0.445 397 A N -0.224 122.602 122.820 0.009 0.000 1.902 397 A HA -0.160 4.165 4.320 0.008 0.000 0.217 397 A C 2.117 179.704 177.584 0.005 0.000 1.181 397 A CA 1.844 53.890 52.037 0.016 0.000 0.623 397 A CB -0.427 18.576 19.000 0.006 0.000 0.818 397 A HN 0.550 nan 8.150 nan 0.000 0.443 398 K N -0.361 120.029 120.400 -0.016 0.000 2.026 398 K HA -0.044 4.281 4.320 0.008 0.000 0.208 398 K C 1.853 178.398 176.600 -0.091 0.000 1.048 398 K CA 1.440 57.699 56.287 -0.047 0.000 0.929 398 K CB -0.427 32.044 32.500 -0.049 0.000 0.713 398 K HN 0.454 nan 8.250 nan 0.000 0.439 399 L N 0.709 121.888 121.223 -0.074 0.000 2.042 399 L HA -0.217 4.128 4.340 0.008 0.000 0.210 399 L C 2.429 179.268 176.870 -0.052 0.000 1.076 399 L CA 1.335 56.105 54.840 -0.116 0.000 0.749 399 L CB -0.855 41.191 42.059 -0.023 0.000 0.893 399 L HN 0.243 nan 8.230 nan 0.000 0.432 400 T N -0.667 113.928 114.554 0.069 0.000 2.684 400 T HA -0.207 4.148 4.350 0.008 0.000 0.267 400 T C 1.714 176.423 174.700 0.016 0.000 1.036 400 T CA 1.578 63.773 62.100 0.159 0.000 1.148 400 T CB -0.241 68.777 68.868 0.249 0.000 0.863 400 T HN 0.424 nan 8.240 nan 0.000 0.436 401 E N 0.906 121.096 120.200 -0.017 0.000 2.070 401 E HA -0.134 4.221 4.350 0.008 0.000 0.197 401 E C 2.292 178.847 176.600 -0.075 0.000 1.004 401 E CA 1.104 57.480 56.400 -0.040 0.000 0.805 401 E CB -0.443 29.232 29.700 -0.043 0.000 0.744 401 E HN 0.423 nan 8.360 nan 0.000 0.451 402 L N 0.154 121.273 121.223 -0.173 0.000 2.046 402 L HA -0.209 4.136 4.340 0.008 0.000 0.208 402 L C 2.655 179.472 176.870 -0.088 0.000 1.077 402 L CA 1.168 55.831 54.840 -0.296 0.000 0.747 402 L CB -0.333 41.204 42.059 -0.870 0.000 0.896 402 L HN 0.203 nan 8.230 nan 0.000 0.432 403 M N -1.186 118.378 119.600 -0.061 0.000 2.175 403 M HA -0.159 4.326 4.480 0.008 0.000 0.264 403 M C 2.283 178.566 176.300 -0.028 0.000 1.063 403 M CA 1.147 56.492 55.300 0.075 0.000 1.119 403 M CB -0.289 32.301 32.600 -0.016 0.000 1.377 403 M HN 0.059 nan 8.290 nan 0.000 0.415 404 V N 0.347 120.219 119.914 -0.071 0.000 2.332 404 V HA -0.218 3.907 4.120 0.008 0.000 0.248 404 V C 2.548 178.640 176.094 -0.003 0.000 1.055 404 V CA 2.221 64.485 62.300 -0.060 0.000 1.038 404 V CB -1.601 30.192 31.823 -0.050 0.000 0.651 404 V HN 0.632 nan 8.190 nan 0.000 0.450 405 G N -0.493 108.323 108.800 0.027 0.000 2.421 405 G HA2 -0.195 3.770 3.960 0.008 0.000 0.216 405 G HA3 -0.195 3.770 3.960 0.008 0.000 0.216 405 G C 1.777 176.729 174.900 0.088 0.000 1.171 405 G CA 0.999 46.134 45.100 0.059 0.000 0.775 405 G HN 0.610 nan 8.290 nan 0.000 0.543 406 A N 0.820 123.724 122.820 0.141 0.000 1.933 406 A HA -0.029 4.296 4.320 0.008 0.000 0.218 406 A C 2.164 179.782 177.584 0.057 0.000 1.175 406 A CA 2.232 54.337 52.037 0.113 0.000 0.628 406 A CB -0.409 18.675 19.000 0.141 0.000 0.814 406 A HN 0.438 nan 8.150 nan 0.000 0.444 407 E N 0.271 120.494 120.200 0.039 0.000 2.077 407 E HA -0.163 4.192 4.350 0.008 0.000 0.193 407 E C 1.941 178.564 176.600 0.038 0.000 0.989 407 E CA 1.771 58.196 56.400 0.041 0.000 0.800 407 E CB -0.212 29.493 29.700 0.007 0.000 0.746 407 E HN 0.582 nan 8.360 nan 0.000 0.452 408 K N -0.354 120.063 120.400 0.029 0.000 2.097 408 K HA -0.079 4.246 4.320 0.008 0.000 0.206 408 K C 2.044 178.661 176.600 0.029 0.000 1.049 408 K CA 1.304 57.606 56.287 0.025 0.000 0.933 408 K CB -0.033 32.480 32.500 0.021 0.000 0.717 408 K HN 0.068 nan 8.250 nan 0.000 0.442 409 V N 1.653 121.589 119.914 0.036 0.000 2.515 409 V HA -0.125 4.000 4.120 0.008 0.000 0.250 409 V C 1.173 177.285 176.094 0.030 0.000 1.058 409 V CA 0.981 63.302 62.300 0.035 0.000 1.064 409 V CB -0.670 31.179 31.823 0.043 0.000 0.675 409 V HN 0.271 nan 8.190 nan 0.000 0.461 410 A N 0.545 123.385 122.820 0.033 0.000 2.483 410 A HA 0.136 4.462 4.320 0.008 0.000 0.238 410 A C 0.553 178.147 177.584 0.017 0.000 1.070 410 A CA 0.056 52.111 52.037 0.029 0.000 0.770 410 A CB 0.079 19.106 19.000 0.046 0.000 1.008 410 A HN 0.385 nan 8.150 nan 0.000 0.497 411 Q N 0.633 120.438 119.800 0.008 0.000 2.330 411 Q HA 0.004 4.349 4.340 0.008 0.000 0.279 411 Q C -0.295 175.698 176.000 -0.011 0.000 1.024 411 Q CA 0.180 55.983 55.803 0.000 0.000 0.900 411 Q CB 0.548 29.285 28.738 -0.001 0.000 1.221 411 Q HN 0.709 nan 8.270 nan 0.000 0.396 412 Q N 3.005 122.798 119.800 -0.011 0.000 2.244 412 Q HA 0.062 4.407 4.340 0.008 0.000 0.239 412 Q C -0.307 175.675 176.000 -0.030 0.000 0.890 412 Q CA 0.024 55.817 55.803 -0.016 0.000 0.964 412 Q CB -0.125 28.609 28.738 -0.006 0.000 1.076 412 Q HN 0.395 nan 8.270 nan 0.000 0.447 413 K N 0.154 120.528 120.400 -0.043 0.000 2.419 413 K HA 0.131 4.456 4.320 0.008 0.000 0.282 413 K C 0.684 177.240 176.600 -0.074 0.000 1.056 413 K CA 0.960 57.214 56.287 -0.055 0.000 1.035 413 K CB -0.021 32.440 32.500 -0.064 0.000 0.921 413 K HN 0.443 nan 8.250 nan 0.000 0.472 414 G N 2.225 110.990 108.800 -0.058 0.000 2.132 414 G HA2 -0.278 3.687 3.960 0.008 0.000 0.234 414 G HA3 -0.278 3.687 3.960 0.008 0.000 0.234 414 G C 0.120 174.995 174.900 -0.042 0.000 0.989 414 G CA -0.004 45.060 45.100 -0.059 0.000 0.676 414 G HN 0.922 nan 8.290 nan 0.000 0.522 415 A N -0.276 122.527 122.820 -0.029 0.000 2.498 415 A HA 0.611 4.936 4.320 0.008 0.000 0.239 415 A C 0.529 178.108 177.584 -0.008 0.000 1.068 415 A CA 0.401 52.430 52.037 -0.014 0.000 0.766 415 A CB 0.219 19.213 19.000 -0.009 0.000 1.003 415 A HN 0.892 nan 8.150 nan 0.000 0.497 416 I N 3.518 124.088 120.570 -0.000 0.000 2.321 416 I HA 0.272 4.447 4.170 0.008 0.000 0.291 416 I C -2.132 173.988 176.117 0.005 0.000 0.998 416 I CA -1.982 59.319 61.300 0.003 0.000 1.227 416 I CB 1.560 39.565 38.000 0.009 0.000 1.368 416 I HN 0.408 nan 8.210 nan 0.000 0.466 417 P HA 0.081 nan 4.420 nan 0.000 0.263 417 P C 0.888 178.192 177.300 0.007 0.000 1.195 417 P CA 0.490 63.592 63.100 0.005 0.000 0.762 417 P CB 0.578 32.281 31.700 0.004 0.000 0.799 418 G N 1.708 110.512 108.800 0.007 0.000 2.168 418 G HA2 -0.215 3.750 3.960 0.008 0.000 0.263 418 G HA3 -0.215 3.750 3.960 0.008 0.000 0.263 418 G C 0.005 174.912 174.900 0.011 0.000 0.977 418 G CA -0.029 45.077 45.100 0.009 0.000 0.659 418 G HN 0.537 nan 8.290 nan 0.000 0.533 419 V N 1.091 121.012 119.914 0.011 0.000 2.378 419 V HA 0.461 4.586 4.120 0.008 0.000 0.288 419 V C 0.433 176.532 176.094 0.008 0.000 1.016 419 V CA -0.554 61.754 62.300 0.013 0.000 0.840 419 V CB 1.733 33.566 31.823 0.018 0.000 0.994 419 V HN 0.447 nan 8.190 nan 0.000 0.431 420 Q N 4.694 124.497 119.800 0.005 0.000 2.294 420 Q HA 0.541 4.886 4.340 0.008 0.000 0.257 420 Q C -1.048 174.933 176.000 -0.032 0.000 0.955 420 Q CA -0.250 55.548 55.803 -0.009 0.000 0.936 420 Q CB 0.970 29.704 28.738 -0.006 0.000 1.188 420 Q HN 0.703 nan 8.270 nan 0.000 0.420 421 I N 2.851 123.391 120.570 -0.049 0.000 2.412 421 I HA 0.473 4.649 4.170 0.008 0.000 0.296 421 I C -0.388 175.610 176.117 -0.198 0.000 0.987 421 I CA -0.799 60.442 61.300 -0.097 0.000 1.180 421 I CB 1.887 39.879 38.000 -0.013 0.000 1.340 421 I HN 0.648 nan 8.210 nan 0.000 0.455 422 A N 4.958 127.512 122.820 -0.444 0.000 2.276 422 A HA 0.791 5.116 4.320 0.008 0.000 0.316 422 A C -0.188 177.067 177.584 -0.549 0.000 1.229 422 A CA -0.271 51.411 52.037 -0.591 0.000 0.851 422 A CB 0.771 19.087 19.000 -1.139 0.000 1.165 422 A HN 0.756 nan 8.150 nan 0.000 0.513 423 S N 1.399 116.912 115.700 -0.312 0.000 2.671 423 S HA 0.846 5.321 4.470 0.008 0.000 0.277 423 S C -1.076 173.412 174.600 -0.188 0.000 1.165 423 S CA -0.854 57.141 58.200 -0.341 0.000 0.822 423 S CB 1.787 64.732 63.200 -0.425 0.000 1.150 423 S HN 0.779 nan 8.310 nan 0.000 0.479 424 K N 0.733 120.969 120.400 -0.275 0.000 2.565 424 K HA 0.624 4.949 4.320 0.008 0.000 0.249 424 K C -1.517 174.966 176.600 -0.195 0.000 0.958 424 K CA -0.028 56.127 56.287 -0.220 0.000 0.806 424 K CB 1.805 34.169 32.500 -0.226 0.000 1.194 424 K HN 0.821 nan 8.250 nan 0.000 0.434 425 T N 1.771 116.269 114.554 -0.094 0.000 2.855 425 T HA 0.884 5.239 4.350 0.008 0.000 0.281 425 T C -0.265 174.408 174.700 -0.045 0.000 1.007 425 T CA -0.300 61.826 62.100 0.043 0.000 1.009 425 T CB 1.646 70.601 68.868 0.146 0.000 0.983 425 T HN 0.730 nan 8.240 nan 0.000 0.455 426 G N 1.243 110.044 108.800 0.002 0.000 2.435 426 G HA2 0.637 4.602 3.960 0.008 0.000 0.296 426 G HA3 0.637 4.602 3.960 0.008 0.000 0.296 426 G C -0.919 173.970 174.900 -0.018 0.000 1.240 426 G CA -0.288 44.769 45.100 -0.073 0.000 0.872 426 G HN 0.910 nan 8.290 nan 0.000 0.480 427 T N -2.600 111.903 114.554 -0.085 0.000 2.916 427 T HA 0.847 5.202 4.350 0.008 0.000 0.292 427 T C -0.524 174.243 174.700 0.112 0.000 1.064 427 T CA -0.065 62.014 62.100 -0.036 0.000 1.011 427 T CB 2.016 70.698 68.868 -0.309 0.000 1.152 427 T HN 2.091 nan 8.240 nan 0.000 0.510 428 A N 1.455 124.395 122.820 0.200 0.000 2.446 428 A HA 0.604 4.929 4.320 0.008 0.000 0.282 428 A C -0.236 177.459 177.584 0.185 0.000 1.102 428 A CA -0.839 51.340 52.037 0.237 0.000 0.737 428 A CB 0.614 19.878 19.000 0.440 0.000 1.212 428 A HN 0.864 nan 8.150 nan 0.000 0.434 429 E N 1.327 121.614 120.200 0.145 0.000 2.418 429 E HA 0.397 4.752 4.350 0.008 0.000 0.261 429 E C -0.120 176.566 176.600 0.143 0.000 1.070 429 E CA 0.621 57.082 56.400 0.102 0.000 0.931 429 E CB 0.433 30.165 29.700 0.053 0.000 0.954 429 E HN 0.910 nan 8.360 nan 0.000 0.439 430 H N -1.308 117.721 119.070 -0.069 0.000 2.932 430 H HA 0.611 5.172 4.556 0.008 0.000 0.307 430 H C -0.004 175.309 175.328 -0.025 0.000 1.391 430 H CA -0.662 55.367 56.048 -0.032 0.000 1.130 430 H CB 0.796 30.527 29.762 -0.051 0.000 1.836 430 H HN 0.754 nan 8.280 nan 0.000 0.522 431 G N -0.643 108.165 108.800 0.014 0.000 2.796 431 G HA2 -0.174 3.791 3.960 0.008 0.000 0.571 431 G HA3 -0.174 3.791 3.960 0.008 0.000 0.571 431 G C 0.892 175.762 174.900 -0.051 0.000 1.370 431 G CA 0.542 45.621 45.100 -0.035 0.000 0.856 431 G HN 1.593 nan 8.290 nan 0.000 0.538 432 T N -3.214 111.318 114.554 -0.036 0.000 3.035 432 T HA 0.158 4.513 4.350 0.008 0.000 0.268 432 T C 0.828 175.494 174.700 -0.057 0.000 1.109 432 T CA 2.037 64.117 62.100 -0.033 0.000 1.119 432 T CB 0.159 69.016 68.868 -0.017 0.000 0.900 432 T HN 0.779 nan 8.240 nan 0.000 0.503 433 D N 1.826 122.176 120.400 -0.083 0.000 2.443 433 D HA 0.324 4.969 4.640 0.008 0.000 0.281 433 D C -1.852 174.358 176.300 -0.150 0.000 1.210 433 D CA -2.464 51.469 54.000 -0.111 0.000 0.875 433 D CB 1.611 42.364 40.800 -0.080 0.000 1.125 433 D HN 0.031 nan 8.370 nan 0.000 0.503 434 P HA -0.091 nan 4.420 nan 0.000 0.223 434 P C 1.170 178.393 177.300 -0.129 0.000 1.151 434 P CA 0.380 63.386 63.100 -0.158 0.000 0.787 434 P CB 0.489 32.133 31.700 -0.094 0.000 0.788 435 R N -0.933 119.465 120.500 -0.170 0.000 2.235 435 R HA -0.034 4.311 4.340 0.008 0.000 0.213 435 R C 1.635 177.880 176.300 -0.091 0.000 1.059 435 R CA 0.999 56.991 56.100 -0.179 0.000 0.997 435 R CB -0.904 29.226 30.300 -0.284 0.000 0.884 435 R HN 0.449 nan 8.270 nan 0.000 0.462 436 H N -0.977 118.056 119.070 -0.062 0.000 2.695 436 H HA 0.217 4.778 4.556 0.008 0.000 0.267 436 H C 0.164 175.452 175.328 -0.067 0.000 0.973 436 H CA -0.036 55.978 56.048 -0.056 0.000 1.223 436 H CB 0.136 29.870 29.762 -0.046 0.000 1.442 436 H HN -0.105 nan 8.280 nan 0.000 0.478 437 T N 4.854 119.405 114.554 -0.004 0.000 2.916 437 T HA 0.146 4.501 4.350 0.008 0.000 0.303 437 T C -2.378 172.284 174.700 -0.063 0.000 1.025 437 T CA -1.010 61.038 62.100 -0.087 0.000 1.142 437 T CB 1.047 69.745 68.868 -0.283 0.000 0.947 437 T HN 0.041 nan 8.240 nan 0.000 0.544 438 P HA 0.175 nan 4.420 nan 0.000 0.262 438 P C -2.379 174.989 177.300 0.113 0.000 1.199 438 P CA -1.092 62.051 63.100 0.073 0.000 0.763 438 P CB -0.346 31.406 31.700 0.087 0.000 0.790 439 P HA 0.019 nan 4.420 nan 0.000 0.271 439 P C -0.069 177.252 177.300 0.036 0.000 1.233 439 P CA 0.281 63.445 63.100 0.107 0.000 0.789 439 P CB 0.310 32.096 31.700 0.143 0.000 0.951 440 H N -0.460 118.650 119.070 0.066 0.000 2.690 440 H HA 0.408 4.970 4.556 0.009 0.000 0.365 440 H C 0.217 175.463 175.328 -0.137 0.000 1.142 440 H CA -0.147 55.803 56.048 -0.164 0.000 1.417 440 H CB 0.190 29.732 29.762 -0.367 0.000 1.446 440 H HN 0.396 nan 8.280 nan 0.000 0.599 441 A N 2.439 125.205 122.820 -0.091 0.000 2.304 441 A HA 0.468 4.793 4.320 0.008 0.000 0.323 441 A C -1.137 176.361 177.584 -0.144 0.000 1.195 441 A CA -0.585 51.406 52.037 -0.076 0.000 0.826 441 A CB 0.536 19.490 19.000 -0.077 0.000 1.184 441 A HN 0.669 nan 8.150 nan 0.000 0.496 442 W N 0.377 121.650 121.300 -0.045 0.000 2.736 442 W HA 0.584 5.249 4.660 0.008 0.000 0.335 442 W C -1.012 175.535 176.519 0.047 0.000 1.059 442 W CA -0.242 57.086 57.345 -0.029 0.000 1.226 442 W CB 1.897 31.331 29.460 -0.044 0.000 1.416 442 W HN 0.670 nan 8.180 nan 0.000 0.505 443 Y N 5.365 125.795 120.300 0.217 0.000 2.354 443 Y HA 0.561 5.116 4.550 0.008 0.000 0.330 443 Y C -0.655 175.320 175.900 0.125 0.000 1.011 443 Y CA -1.578 56.584 58.100 0.103 0.000 1.099 443 Y CB 0.905 39.383 38.460 0.029 0.000 1.179 443 Y HN 0.344 nan 8.280 nan 0.000 0.442 444 I N 3.045 123.462 120.570 -0.255 0.000 2.569 444 I HA 1.072 5.247 4.170 0.008 0.000 0.296 444 I C -1.081 174.771 176.117 -0.441 0.000 1.028 444 I CA -0.736 60.433 61.300 -0.218 0.000 1.082 444 I CB 1.977 39.911 38.000 -0.110 0.000 1.264 444 I HN 0.719 nan 8.210 nan 0.000 0.429 445 A N 4.698 127.368 122.820 -0.249 0.000 2.601 445 A HA 0.877 5.202 4.320 0.008 0.000 0.291 445 A C -1.463 176.152 177.584 0.051 0.000 1.075 445 A CA -0.600 51.282 52.037 -0.259 0.000 0.671 445 A CB 1.491 20.233 19.000 -0.429 0.000 1.277 445 A HN 1.060 nan 8.150 nan 0.000 0.417 446 F N -1.971 117.949 119.950 -0.050 0.000 2.645 446 F HA 0.975 5.507 4.527 0.008 0.000 0.310 446 F C -0.328 175.478 175.800 0.010 0.000 1.102 446 F CA -0.637 57.358 58.000 -0.008 0.000 0.952 446 F CB 1.516 40.512 39.000 -0.007 0.000 1.326 446 F HN 1.552 nan 8.300 nan 0.000 0.456 447 A N 1.285 124.243 122.820 0.231 0.000 2.605 447 A HA 0.824 5.149 4.320 0.008 0.000 0.294 447 A C -3.359 174.308 177.584 0.138 0.000 1.062 447 A CA -1.793 50.318 52.037 0.124 0.000 0.682 447 A CB 1.352 20.385 19.000 0.055 0.000 1.278 447 A HN 0.487 nan 8.150 nan 0.000 0.410 448 P HA 0.328 nan 4.420 nan 0.000 0.268 448 P C 0.964 178.341 177.300 0.128 0.000 1.205 448 P CA 0.621 63.770 63.100 0.081 0.000 0.771 448 P CB 1.013 32.750 31.700 0.061 0.000 0.858 449 A N 3.337 126.201 122.820 0.073 0.000 1.940 449 A HA -0.222 4.103 4.320 0.008 0.000 0.219 449 A C 1.673 179.387 177.584 0.215 0.000 1.176 449 A CA 1.610 53.714 52.037 0.110 0.000 0.631 449 A CB -0.815 18.159 19.000 -0.044 0.000 0.814 449 A HN 0.509 nan 8.150 nan 0.000 0.446 450 Q N -1.475 118.397 119.800 0.120 0.000 2.356 450 Q HA 0.395 4.740 4.340 0.008 0.000 0.205 450 Q C 0.183 176.230 176.000 0.078 0.000 0.901 450 Q CA 0.883 56.743 55.803 0.094 0.000 0.938 450 Q CB 0.294 29.066 28.738 0.057 0.000 1.081 450 Q HN 0.616 nan 8.270 nan 0.000 0.517 451 A N 1.742 124.614 122.820 0.087 0.000 3.158 451 A HA 0.469 4.794 4.320 0.008 0.000 0.302 451 A C -2.728 174.900 177.584 0.073 0.000 1.162 451 A CA -1.087 50.987 52.037 0.062 0.000 0.824 451 A CB 0.584 19.610 19.000 0.042 0.000 1.322 451 A HN -0.116 nan 8.150 nan 0.000 0.510 452 P HA 0.271 nan 4.420 nan 0.000 0.276 452 P C 0.280 177.617 177.300 0.062 0.000 1.235 452 P CA 0.022 63.192 63.100 0.117 0.000 0.772 452 P CB 1.095 32.860 31.700 0.108 0.000 0.871 453 K N 1.249 121.695 120.400 0.076 0.000 2.380 453 K HA 0.281 4.607 4.320 0.008 0.000 0.198 453 K C 0.051 176.681 176.600 0.050 0.000 1.070 453 K CA 0.070 56.387 56.287 0.050 0.000 1.040 453 K CB 0.871 33.398 32.500 0.045 0.000 0.903 453 K HN 0.285 nan 8.250 nan 0.000 0.549 454 V N 0.249 120.211 119.914 0.079 0.000 2.969 454 V HA 0.699 4.824 4.120 0.008 0.000 0.304 454 V C -1.927 174.243 176.094 0.127 0.000 1.192 454 V CA -0.876 61.471 62.300 0.079 0.000 0.962 454 V CB 2.060 33.925 31.823 0.071 0.000 1.045 454 V HN 0.137 nan 8.190 nan 0.000 0.428 455 A N 5.196 128.077 122.820 0.103 0.000 2.355 455 A HA 0.958 5.283 4.320 0.008 0.000 0.317 455 A C -0.809 176.837 177.584 0.103 0.000 1.094 455 A CA -0.156 51.962 52.037 0.135 0.000 0.764 455 A CB 1.869 20.923 19.000 0.090 0.000 1.230 455 A HN 1.946 nan 8.150 nan 0.000 0.448 456 V N -1.257 118.723 119.914 0.111 0.000 2.914 456 V HA 0.991 5.116 4.120 0.008 0.000 0.314 456 V C -0.150 176.009 176.094 0.109 0.000 1.084 456 V CA -0.439 61.925 62.300 0.108 0.000 0.963 456 V CB 1.360 33.264 31.823 0.134 0.000 1.025 456 V HN 1.921 nan 8.190 nan 0.000 0.432 457 A N 2.876 125.776 122.820 0.133 0.000 2.393 457 A HA 0.898 5.223 4.320 0.008 0.000 0.306 457 A C -0.977 176.717 177.584 0.184 0.000 1.050 457 A CA -0.678 51.475 52.037 0.193 0.000 0.724 457 A CB 1.964 21.108 19.000 0.241 0.000 1.248 457 A HN 1.419 nan 8.150 nan 0.000 0.424 458 V N 2.813 122.854 119.914 0.211 0.000 2.487 458 V HA 0.521 4.646 4.120 0.008 0.000 0.298 458 V C -0.761 175.278 176.094 -0.092 0.000 1.028 458 V CA -0.425 61.912 62.300 0.061 0.000 0.860 458 V CB 1.341 33.209 31.823 0.076 0.000 0.991 458 V HN 0.832 nan 8.190 nan 0.000 0.427 459 L N 6.482 127.467 121.223 -0.396 0.000 2.305 459 L HA 0.726 5.071 4.340 0.008 0.000 0.284 459 L C -0.694 175.798 176.870 -0.630 0.000 1.013 459 L CA -0.031 54.282 54.840 -0.879 0.000 0.819 459 L CB 1.752 42.910 42.059 -1.501 0.000 1.227 459 L HN 0.443 nan 8.230 nan 0.000 0.417 460 V N 4.962 124.551 119.914 -0.543 0.000 2.334 460 V HA 0.339 4.465 4.120 0.008 0.000 0.281 460 V C 0.102 175.966 176.094 -0.384 0.000 1.016 460 V CA -0.702 61.369 62.300 -0.382 0.000 0.832 460 V CB 1.090 32.766 31.823 -0.245 0.000 0.999 460 V HN 0.744 nan 8.190 nan 0.000 0.439 461 E N 3.767 123.728 120.200 -0.398 0.000 2.415 461 E HA 0.064 4.419 4.350 0.008 0.000 0.263 461 E C 0.466 177.076 176.600 0.016 0.000 0.995 461 E CA 0.217 56.465 56.400 -0.253 0.000 0.915 461 E CB 0.047 29.590 29.700 -0.261 0.000 0.951 461 E HN 0.819 nan 8.360 nan 0.000 0.449 462 N N 1.472 120.310 118.700 0.230 0.000 2.693 462 N HA -0.231 4.514 4.740 0.008 0.000 0.249 462 N C 0.702 176.250 175.510 0.063 0.000 1.119 462 N CA 0.487 53.619 53.050 0.137 0.000 0.717 462 N CB -0.863 37.702 38.487 0.130 0.000 1.071 462 N HN 0.665 nan 8.380 nan 0.000 0.555 463 G N -1.019 107.791 108.800 0.017 0.000 3.042 463 G HA2 0.391 4.356 3.960 0.008 0.000 0.212 463 G HA3 0.391 4.356 3.960 0.008 0.000 0.212 463 G C 0.602 175.506 174.900 0.006 0.000 1.166 463 G CA 0.316 45.405 45.100 -0.018 0.000 0.767 463 G HN 0.626 nan 8.290 nan 0.000 0.546 464 A N 1.542 124.382 122.820 0.033 0.000 2.511 464 A HA 0.437 4.762 4.320 0.008 0.000 0.242 464 A C 0.384 178.031 177.584 0.105 0.000 1.069 464 A CA -0.008 52.058 52.037 0.047 0.000 0.763 464 A CB 0.205 19.247 19.000 0.071 0.000 1.001 464 A HN 0.462 nan 8.150 nan 0.000 0.498 465 D N 1.294 121.763 120.400 0.116 0.000 2.326 465 D HA 0.370 5.015 4.640 0.008 0.000 0.248 465 D C -0.046 176.391 176.300 0.228 0.000 1.001 465 D CA -0.799 53.287 54.000 0.143 0.000 0.961 465 D CB 1.220 42.084 40.800 0.107 0.000 1.183 465 D HN 0.518 nan 8.370 nan 0.000 0.502 466 R N 0.131 120.723 120.500 0.154 0.000 2.427 466 R HA 0.278 4.623 4.340 0.008 0.000 0.262 466 R C 1.013 177.367 176.300 0.090 0.000 0.943 466 R CA -0.009 56.160 56.100 0.116 0.000 1.081 466 R CB 0.309 30.628 30.300 0.031 0.000 1.166 466 R HN 0.358 nan 8.270 nan 0.000 0.534 467 L N -0.730 120.557 121.223 0.107 0.000 2.653 467 L HA 0.171 4.516 4.340 0.008 0.000 0.230 467 L C 0.985 177.905 176.870 0.083 0.000 1.055 467 L CA -0.053 54.832 54.840 0.074 0.000 0.880 467 L CB 0.325 42.416 42.059 0.053 0.000 1.195 467 L HN 0.047 nan 8.230 nan 0.000 0.492 468 S N 0.219 115.977 115.700 0.098 0.000 2.608 468 S HA 0.332 4.807 4.470 0.008 0.000 0.261 468 S C 1.329 175.985 174.600 0.095 0.000 1.314 468 S CA 0.040 58.285 58.200 0.075 0.000 0.992 468 S CB 1.593 64.823 63.200 0.050 0.000 0.935 468 S HN 0.163 nan 8.310 nan 0.000 0.564 469 A N 0.926 123.784 122.820 0.064 0.000 1.933 469 A HA 0.013 4.338 4.320 0.008 0.000 0.218 469 A C 2.299 179.927 177.584 0.073 0.000 1.175 469 A CA 1.919 53.997 52.037 0.068 0.000 0.628 469 A CB -1.535 17.491 19.000 0.044 0.000 0.814 469 A HN 1.201 nan 8.150 nan 0.000 0.444 470 T N -5.815 108.753 114.554 0.022 0.000 3.001 470 T HA 0.423 4.778 4.350 0.008 0.000 0.251 470 T C 1.518 176.082 174.700 -0.226 0.000 1.040 470 T CA 1.064 63.127 62.100 -0.062 0.000 0.985 470 T CB 0.364 69.191 68.868 -0.069 0.000 1.011 470 T HN 1.669 nan 8.240 nan 0.000 0.509 471 G N 0.800 109.533 108.800 -0.112 0.000 2.212 471 G HA2 -0.205 3.760 3.960 0.008 0.000 0.266 471 G HA3 -0.205 3.760 3.960 0.008 0.000 0.266 471 G C 0.956 175.762 174.900 -0.156 0.000 0.978 471 G CA 0.087 45.081 45.100 -0.177 0.000 0.632 471 G HN 1.117 nan 8.290 nan 0.000 0.537 472 G N -0.146 108.578 108.800 -0.126 0.000 3.233 472 G HA2 0.556 4.521 3.960 0.008 0.000 0.234 472 G HA3 0.556 4.521 3.960 0.008 0.000 0.234 472 G C 1.525 176.405 174.900 -0.034 0.000 1.137 472 G CA 1.609 46.672 45.100 -0.062 0.000 0.763 472 G HN 1.358 nan 8.290 nan 0.000 0.549 473 A N 0.636 123.435 122.820 -0.035 0.000 2.024 473 A HA -0.030 4.295 4.320 0.008 0.000 0.220 473 A C 2.186 179.713 177.584 -0.094 0.000 1.164 473 A CA 1.094 53.103 52.037 -0.047 0.000 0.643 473 A CB -0.217 18.769 19.000 -0.024 0.000 0.806 473 A HN 0.363 nan 8.150 nan 0.000 0.451 474 L N -0.581 120.586 121.223 -0.093 0.000 2.131 474 L HA -0.087 4.258 4.340 0.008 0.000 0.210 474 L C 2.771 179.532 176.870 -0.182 0.000 1.092 474 L CA 1.809 56.560 54.840 -0.148 0.000 0.759 474 L CB -0.803 41.172 42.059 -0.140 0.000 0.903 474 L HN 0.386 nan 8.230 nan 0.000 0.435 475 A N -1.223 121.509 122.820 -0.147 0.000 2.015 475 A HA -0.033 4.292 4.320 0.008 0.000 0.219 475 A C 2.437 179.844 177.584 -0.294 0.000 1.163 475 A CA 1.381 53.329 52.037 -0.148 0.000 0.646 475 A CB -0.731 18.250 19.000 -0.032 0.000 0.806 475 A HN 0.448 nan 8.150 nan 0.000 0.448 476 A N 0.608 123.175 122.820 -0.422 0.000 1.858 476 A HA -0.005 4.320 4.320 0.008 0.000 0.216 476 A C 0.190 177.340 177.584 -0.723 0.000 1.190 476 A CA 1.709 53.168 52.037 -0.963 0.000 0.617 476 A CB -1.596 17.053 19.000 -0.584 0.000 0.827 476 A HN 0.442 nan 8.150 nan 0.000 0.443 477 P HA -0.101 nan 4.420 nan 0.000 0.220 477 P C 1.274 178.434 177.300 -0.233 0.000 1.148 477 P CA 0.828 63.767 63.100 -0.269 0.000 0.803 477 P CB -0.143 31.439 31.700 -0.198 0.000 0.782 478 I N -0.685 119.740 120.570 -0.242 0.000 2.179 478 I HA -0.176 3.999 4.170 0.008 0.000 0.242 478 I C 2.564 178.603 176.117 -0.131 0.000 1.088 478 I CA 1.867 63.062 61.300 -0.175 0.000 1.357 478 I CB -1.358 36.542 38.000 -0.166 0.000 1.051 478 I HN 0.005 nan 8.210 nan 0.000 0.409 479 G N 0.752 109.446 108.800 -0.176 0.000 2.440 479 G HA2 -0.229 3.736 3.960 0.008 0.000 0.218 479 G HA3 -0.229 3.736 3.960 0.008 0.000 0.218 479 G C 1.810 176.731 174.900 0.036 0.000 1.154 479 G CA 0.508 45.626 45.100 0.030 0.000 0.767 479 G HN 0.297 nan 8.290 nan 0.000 0.552 480 R N 0.475 120.914 120.500 -0.102 0.000 2.096 480 R HA 0.043 4.388 4.340 0.008 0.000 0.235 480 R C 2.986 179.271 176.300 -0.025 0.000 1.127 480 R CA 1.061 57.138 56.100 -0.038 0.000 0.968 480 R CB -0.330 29.915 30.300 -0.091 0.000 0.861 480 R HN 0.361 nan 8.270 nan 0.000 0.440 481 A N 0.721 123.511 122.820 -0.051 0.000 1.930 481 A HA -0.087 4.238 4.320 0.008 0.000 0.217 481 A C 2.341 179.921 177.584 -0.007 0.000 1.175 481 A CA 1.170 53.187 52.037 -0.033 0.000 0.627 481 A CB -0.390 18.578 19.000 -0.053 0.000 0.815 481 A HN 0.098 nan 8.150 nan 0.000 0.443 482 V N 0.332 120.248 119.914 0.003 0.000 2.295 482 V HA -0.284 3.841 4.120 0.008 0.000 0.246 482 V C 2.419 178.537 176.094 0.040 0.000 1.049 482 V CA 2.091 64.407 62.300 0.026 0.000 1.024 482 V CB -0.757 31.089 31.823 0.038 0.000 0.648 482 V HN 0.576 nan 8.190 nan 0.000 0.447 483 I N 0.059 120.661 120.570 0.054 0.000 2.163 483 I HA -0.294 3.881 4.170 0.008 0.000 0.243 483 I C 2.627 178.769 176.117 0.041 0.000 1.085 483 I CA 2.103 63.438 61.300 0.059 0.000 1.347 483 I CB -0.440 37.606 38.000 0.078 0.000 1.044 483 I HN 0.433 nan 8.210 nan 0.000 0.408 484 E N 1.378 121.594 120.200 0.028 0.000 2.049 484 E HA -0.306 4.049 4.350 0.008 0.000 0.198 484 E C 2.239 178.852 176.600 0.021 0.000 1.007 484 E CA 1.738 58.150 56.400 0.019 0.000 0.809 484 E CB -0.104 29.600 29.700 0.007 0.000 0.749 484 E HN 0.499 nan 8.360 nan 0.000 0.450 485 A N 0.840 123.673 122.820 0.022 0.000 1.972 485 A HA -0.057 4.268 4.320 0.008 0.000 0.219 485 A C 2.342 179.943 177.584 0.029 0.000 1.169 485 A CA 1.724 53.776 52.037 0.025 0.000 0.635 485 A CB -0.643 18.373 19.000 0.026 0.000 0.810 485 A HN 0.441 nan 8.150 nan 0.000 0.446 486 A N -0.448 122.392 122.820 0.033 0.000 1.930 486 A HA 0.089 4.414 4.320 0.008 0.000 0.217 486 A C 1.985 179.588 177.584 0.032 0.000 1.175 486 A CA 1.304 53.362 52.037 0.034 0.000 0.627 486 A CB -0.394 18.630 19.000 0.041 0.000 0.815 486 A HN 0.460 nan 8.150 nan 0.000 0.443 487 L N -0.675 120.568 121.223 0.032 0.000 2.529 487 L HA 0.035 4.380 4.340 0.008 0.000 0.223 487 L C 1.221 178.106 176.870 0.025 0.000 1.113 487 L CA -0.119 54.739 54.840 0.030 0.000 0.861 487 L CB -0.384 41.695 42.059 0.033 0.000 1.012 487 L HN 0.469 nan 8.230 nan 0.000 0.461 488 Q N 0.000 119.814 119.800 0.023 0.000 2.315 488 Q HA 0.000 4.345 4.340 0.008 0.000 0.214 488 Q CA 0.000 55.815 55.803 0.020 0.000 1.022 488 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 488 Q HN 0.000 nan 8.270 nan 0.000 0.481