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 3ebd_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.218 176.000 0.363 0.000 1.003 77 Q CA 0.000 55.889 55.803 0.144 0.000 1.022 77 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 78 Y N -2.483 117.911 120.300 0.156 0.000 2.583 78 Y HA 0.681 5.231 4.550 0.000 0.000 0.330 78 Y C -1.040 174.842 175.900 -0.031 0.000 1.185 78 Y CA -1.673 56.483 58.100 0.093 0.000 1.107 78 Y CB 0.825 39.297 38.460 0.021 0.000 1.344 78 Y HN 0.302 nan 8.280 nan 0.000 0.463 79 V N 3.884 123.849 119.914 0.086 0.000 2.465 79 V HA 0.473 4.593 4.120 0.000 0.000 0.279 79 V C 0.285 176.464 176.094 0.141 0.000 1.045 79 V CA -0.653 61.622 62.300 -0.043 0.000 0.938 79 V CB 1.187 32.853 31.823 -0.262 0.000 0.986 79 V HN 0.822 nan 8.190 nan 0.000 0.467 80 R N 4.548 125.110 120.500 0.103 0.000 2.340 80 R HA 0.449 4.789 4.340 0.000 0.000 0.300 80 R C -1.032 175.317 176.300 0.082 0.000 1.069 80 R CA -0.325 55.867 56.100 0.154 0.000 0.984 80 R CB 0.463 30.828 30.300 0.109 0.000 1.003 80 R HN 0.534 nan 8.270 nan 0.000 0.459 81 I N 4.106 124.713 120.570 0.061 0.000 2.498 81 I HA 0.323 4.493 4.170 0.000 0.000 0.290 81 I C -0.424 175.650 176.117 -0.070 0.000 1.032 81 I CA -0.596 60.703 61.300 -0.002 0.000 1.073 81 I CB 1.742 39.720 38.000 -0.037 0.000 1.251 81 I HN 0.654 nan 8.210 nan 0.000 0.426 82 K N 4.435 124.784 120.400 -0.084 0.000 2.318 82 K HA 0.419 4.739 4.320 0.000 0.000 0.249 82 K C -0.742 175.742 176.600 -0.193 0.000 0.942 82 K CA -0.615 55.528 56.287 -0.239 0.000 0.808 82 K CB 1.978 34.177 32.500 -0.501 0.000 1.189 82 K HN 0.606 nan 8.250 nan 0.000 0.428 83 N N 3.367 121.947 118.700 -0.201 0.000 2.609 83 N HA 0.172 4.912 4.740 0.000 0.000 0.234 83 N C -0.266 175.217 175.510 -0.044 0.000 1.001 83 N CA -0.664 52.379 53.050 -0.011 0.000 0.926 83 N CB 0.449 38.942 38.487 0.011 0.000 1.130 83 N HN 0.581 nan 8.380 nan 0.000 0.510 84 W N 2.189 123.577 121.300 0.146 0.000 2.538 84 W HA 0.093 4.753 4.660 0.000 0.000 0.254 84 W C 2.050 178.631 176.519 0.103 0.000 1.249 84 W CA 0.424 57.852 57.345 0.138 0.000 1.253 84 W CB 0.041 29.613 29.460 0.188 0.000 1.130 84 W HN 0.633 nan 8.180 nan 0.000 0.618 85 G N -1.374 107.576 108.800 0.251 0.000 2.411 85 G HA2 -0.174 3.786 3.960 0.000 0.000 0.213 85 G HA3 -0.174 3.786 3.960 0.000 0.000 0.213 85 G C 1.539 176.446 174.900 0.012 0.000 1.166 85 G CA 1.168 46.282 45.100 0.024 0.000 0.802 85 G HN 0.258 nan 8.290 nan 0.000 0.533 86 S N -1.194 114.516 115.700 0.017 0.000 2.497 86 S HA 0.360 4.830 4.470 0.000 0.000 0.218 86 S C 1.915 176.485 174.600 -0.049 0.000 1.023 86 S CA 1.116 59.305 58.200 -0.018 0.000 0.913 86 S CB -0.066 63.122 63.200 -0.020 0.000 0.800 86 S HN 1.365 nan 8.310 nan 0.000 0.505 87 G N 1.080 109.829 108.800 -0.086 0.000 2.253 87 G HA2 -0.201 3.759 3.960 0.000 0.000 0.251 87 G HA3 -0.201 3.759 3.960 0.000 0.000 0.251 87 G C -0.145 174.651 174.900 -0.173 0.000 0.998 87 G CA 0.251 45.259 45.100 -0.153 0.000 0.621 87 G HN 0.536 nan 8.290 nan 0.000 0.524 88 E N 0.694 120.814 120.200 -0.133 0.000 2.467 88 E HA 0.235 4.585 4.350 0.000 0.000 0.264 88 E C 0.565 177.060 176.600 -0.175 0.000 1.020 88 E CA 0.436 56.753 56.400 -0.138 0.000 0.945 88 E CB 0.758 30.388 29.700 -0.118 0.000 0.942 88 E HN 0.363 nan 8.360 nan 0.000 0.449 89 I N 3.044 123.511 120.570 -0.172 0.000 2.569 89 I HA 0.399 4.569 4.170 0.000 0.000 0.296 89 I C 0.161 176.151 176.117 -0.212 0.000 1.028 89 I CA -0.661 60.541 61.300 -0.164 0.000 1.082 89 I CB 1.169 39.106 38.000 -0.105 0.000 1.264 89 I HN 0.287 nan 8.210 nan 0.000 0.429 90 L N 4.740 125.845 121.223 -0.197 0.000 2.388 90 L HA 0.480 4.821 4.340 0.000 0.000 0.264 90 L C -0.662 176.201 176.870 -0.011 0.000 0.998 90 L CA -0.689 53.974 54.840 -0.294 0.000 0.817 90 L CB 2.572 44.214 42.059 -0.695 0.000 1.338 90 L HN 0.539 nan 8.230 nan 0.000 0.414 91 H N 1.210 120.195 119.070 -0.142 0.000 2.551 91 H HA 0.186 4.742 4.556 0.000 0.000 0.321 91 H C -1.146 174.266 175.328 0.140 0.000 1.028 91 H CA -0.755 55.215 56.048 -0.130 0.000 1.215 91 H CB 2.145 31.516 29.762 -0.651 0.000 1.414 91 H HN 0.429 nan 8.280 nan 0.000 0.480 92 D N 2.768 123.383 120.400 0.358 0.000 2.274 92 D HA 0.034 4.674 4.640 0.000 0.000 0.239 92 D C 0.761 177.193 176.300 0.219 0.000 1.104 92 D CA -0.118 54.083 54.000 0.336 0.000 0.840 92 D CB 1.443 42.417 40.800 0.290 0.000 1.100 92 D HN 0.715 nan 8.370 nan 0.000 0.477 93 T N 0.943 115.556 114.554 0.099 0.000 2.955 93 T HA -0.042 4.308 4.350 0.000 0.000 0.251 93 T C 1.831 176.345 174.700 -0.310 0.000 1.002 93 T CA -0.258 61.777 62.100 -0.109 0.000 0.970 93 T CB 0.051 68.919 68.868 -0.001 0.000 1.091 93 T HN 0.244 nan 8.240 nan 0.000 0.495 94 L N 3.367 124.496 121.223 -0.156 0.000 2.187 94 L HA -0.103 4.237 4.340 0.000 0.000 0.213 94 L C 2.514 179.156 176.870 -0.380 0.000 1.100 94 L CA 1.954 56.688 54.840 -0.177 0.000 0.765 94 L CB -1.009 41.011 42.059 -0.064 0.000 0.904 94 L HN 0.592 nan 8.230 nan 0.000 0.437 95 H N -2.203 116.397 119.070 -0.785 0.000 2.518 95 H HA -0.195 4.361 4.556 0.000 0.000 0.292 95 H C 1.722 176.725 175.328 -0.541 0.000 1.068 95 H CA 1.925 57.227 56.048 -1.244 0.000 1.275 95 H CB -1.154 27.938 29.762 -1.117 0.000 1.375 95 H HN 0.623 nan 8.280 nan 0.000 0.563 96 H N 1.174 119.721 119.070 -0.871 0.000 2.423 96 H HA 0.028 4.584 4.556 0.000 0.000 0.297 96 H C 1.647 176.797 175.328 -0.297 0.000 1.075 96 H CA 0.756 56.462 56.048 -0.571 0.000 1.342 96 H CB 0.307 29.799 29.762 -0.451 0.000 1.395 96 H HN 0.335 nan 8.280 nan 0.000 0.530 97 K N 1.081 121.406 120.400 -0.125 0.000 2.525 97 K HA 0.132 4.452 4.320 0.000 0.000 0.192 97 K C 0.593 177.165 176.600 -0.046 0.000 1.029 97 K CA -0.109 56.145 56.287 -0.055 0.000 1.029 97 K CB 0.373 32.856 32.500 -0.029 0.000 0.814 97 K HN 0.167 nan 8.250 nan 0.000 0.503 98 A N 1.983 124.743 122.820 -0.100 0.000 2.531 98 A HA 0.020 4.340 4.320 0.000 0.000 0.236 98 A C 1.192 178.762 177.584 -0.022 0.000 1.062 98 A CA 0.129 52.134 52.037 -0.054 0.000 0.760 98 A CB 0.066 19.006 19.000 -0.101 0.000 0.995 98 A HN 0.409 nan 8.150 nan 0.000 0.501 99 T N 0.852 115.397 114.554 -0.015 0.000 5.430 99 T HA 0.284 4.634 4.350 0.000 0.000 0.400 99 T C 1.260 175.973 174.700 0.021 0.000 0.998 99 T CA 0.557 62.660 62.100 0.005 0.000 0.892 99 T CB -0.865 67.996 68.868 -0.012 0.000 1.448 99 T HN 1.485 nan 8.240 nan 0.000 0.414 100 S N 0.628 116.349 115.700 0.036 0.000 2.484 100 S HA 0.231 4.702 4.470 0.000 0.000 0.256 100 S C -0.138 174.505 174.600 0.071 0.000 1.223 100 S CA -0.595 57.634 58.200 0.048 0.000 1.002 100 S CB -0.771 62.457 63.200 0.048 0.000 1.043 100 S HN 0.708 nan 8.310 nan 0.000 0.517 101 D N 0.200 120.649 120.400 0.080 0.000 2.419 101 D HA 0.384 5.024 4.640 0.000 0.000 0.236 101 D C -0.326 176.093 176.300 0.197 0.000 1.165 101 D CA 0.177 54.247 54.000 0.116 0.000 0.882 101 D CB 0.079 40.927 40.800 0.081 0.000 1.201 101 D HN 0.358 nan 8.370 nan 0.000 0.443 102 F N -0.216 119.746 119.950 0.019 0.000 2.690 102 F HA 0.267 4.794 4.527 0.000 0.000 0.332 102 F C 1.945 177.761 175.800 0.026 0.000 1.215 102 F CA -0.179 57.832 58.000 0.019 0.000 1.086 102 F CB -0.177 38.844 39.000 0.035 0.000 1.828 102 F HN 0.405 nan 8.300 nan 0.000 0.519 103 T N -0.750 113.397 114.554 -0.678 0.000 2.739 103 T HA 0.020 4.370 4.350 0.000 0.000 0.249 103 T C 1.103 175.708 174.700 -0.158 0.000 1.050 103 T CA 0.633 62.456 62.100 -0.463 0.000 1.165 103 T CB -1.280 67.194 68.868 -0.657 0.000 0.872 103 T HN 0.476 nan 8.240 nan 0.000 0.411 104 C N 3.388 122.638 119.300 -0.082 0.000 2.494 104 C HA 0.166 4.626 4.460 0.000 0.000 0.399 104 C C 1.501 176.512 174.990 0.035 0.000 1.388 104 C CA -0.536 58.492 59.018 0.016 0.000 1.657 104 C CB -0.724 27.067 27.740 0.086 0.000 2.585 104 C HN 0.613 nan 8.230 nan 0.000 0.601 105 K N 1.537 121.951 120.400 0.024 0.000 3.018 105 K HA 0.111 4.431 4.320 0.000 0.000 0.341 105 K C 1.466 178.088 176.600 0.036 0.000 1.018 105 K CA 0.631 56.934 56.287 0.026 0.000 1.146 105 K CB 0.018 32.528 32.500 0.016 0.000 1.160 105 K HN 0.820 nan 8.250 nan 0.000 0.471 106 S N -0.540 115.177 115.700 0.028 0.000 2.514 106 S HA 0.112 4.582 4.470 0.000 0.000 0.223 106 S C 0.781 175.394 174.600 0.022 0.000 1.046 106 S CA -0.072 58.144 58.200 0.028 0.000 0.914 106 S CB 0.238 63.451 63.200 0.023 0.000 0.807 106 S HN 0.363 nan 8.310 nan 0.000 0.497 107 K N 1.095 121.505 120.400 0.018 0.000 2.676 107 K HA 0.453 4.773 4.320 0.000 0.000 0.205 107 K C -0.600 176.008 176.600 0.012 0.000 1.084 107 K CA -0.091 56.204 56.287 0.013 0.000 1.057 107 K CB 1.079 33.585 32.500 0.010 0.000 0.791 107 K HN 0.216 nan 8.250 nan 0.000 0.484 108 S N 0.323 116.032 115.700 0.016 0.000 2.556 108 S HA 0.295 4.765 4.470 0.000 0.000 0.280 108 S C -1.840 172.771 174.600 0.018 0.000 1.141 108 S CA -0.697 57.511 58.200 0.013 0.000 0.883 108 S CB 1.404 64.610 63.200 0.010 0.000 1.103 108 S HN 0.320 nan 8.310 nan 0.000 0.453 109 C N 5.647 124.957 119.300 0.017 0.000 2.417 109 C HA 0.802 5.262 4.460 0.000 0.000 0.324 109 C C 0.713 175.713 174.990 0.016 0.000 1.240 109 C CA -0.534 58.498 59.018 0.023 0.000 1.632 109 C CB -0.055 27.701 27.740 0.026 0.000 2.241 109 C HN 0.927 nan 8.230 nan 0.000 0.499 110 L N 4.263 125.492 121.223 0.011 0.000 2.416 110 L HA 0.417 4.757 4.340 0.000 0.000 0.188 110 L C 2.581 179.470 176.870 0.031 0.000 1.145 110 L CA 2.123 56.967 54.840 0.006 0.000 0.826 110 L CB -1.529 40.512 42.059 -0.030 0.000 1.064 110 L HN 1.064 nan 8.230 nan 0.000 0.490 111 G N -0.151 108.671 108.800 0.036 0.000 3.403 111 G HA2 -0.457 3.504 3.960 0.000 0.000 0.226 111 G HA3 -0.457 3.504 3.960 0.000 0.000 0.226 111 G C 1.364 176.341 174.900 0.128 0.000 1.312 111 G CA 1.431 46.588 45.100 0.096 0.000 1.060 111 G HN 0.533 nan 8.290 nan 0.000 0.574 112 S N 0.534 116.299 115.700 0.110 0.000 2.593 112 S HA 0.476 4.946 4.470 0.000 0.000 0.217 112 S C 0.900 175.578 174.600 0.130 0.000 0.966 112 S CA -0.000 58.281 58.200 0.136 0.000 0.914 112 S CB 0.204 63.465 63.200 0.102 0.000 0.776 112 S HN 0.434 nan 8.310 nan 0.000 0.523 113 I N 2.737 123.365 120.570 0.097 0.000 2.416 113 I HA 0.187 4.357 4.170 0.000 0.000 0.288 113 I C 1.584 177.779 176.117 0.131 0.000 1.051 113 I CA -0.075 61.276 61.300 0.085 0.000 1.375 113 I CB 0.415 38.437 38.000 0.036 0.000 1.407 113 I HN 0.305 nan 8.210 nan 0.000 0.516 114 M N 4.894 124.587 119.600 0.156 0.000 2.077 114 M HA -0.121 4.359 4.480 0.000 0.000 0.261 114 M C 0.311 176.705 176.300 0.157 0.000 1.070 114 M CA 1.626 57.055 55.300 0.216 0.000 1.125 114 M CB -0.242 32.474 32.600 0.192 0.000 1.339 114 M HN 0.505 nan 8.290 nan 0.000 0.409 115 N N 1.396 120.146 118.700 0.085 0.000 3.112 115 N HA 0.320 5.060 4.740 0.000 0.000 0.270 115 N C -2.452 173.112 175.510 0.089 0.000 1.385 115 N CA -0.771 52.327 53.050 0.081 0.000 0.986 115 N CB 0.247 38.715 38.487 -0.031 0.000 1.261 115 N HN 0.269 nan 8.380 nan 0.000 0.495 116 P HA 0.239 nan 4.420 nan 0.000 0.276 116 P C 0.498 177.825 177.300 0.045 0.000 1.252 116 P CA -0.393 62.716 63.100 0.016 0.000 0.802 116 P CB 2.008 33.662 31.700 -0.077 0.000 1.035 117 K N 0.141 120.551 120.400 0.015 0.000 2.362 117 K HA -0.028 4.292 4.320 0.000 0.000 0.200 117 K C 1.892 178.523 176.600 0.051 0.000 1.046 117 K CA 1.123 57.432 56.287 0.036 0.000 0.952 117 K CB -0.238 32.269 32.500 0.012 0.000 0.753 117 K HN 0.380 nan 8.250 nan 0.000 0.466 118 S N 1.128 116.828 115.700 0.000 0.000 2.447 118 S HA -0.025 4.445 4.470 0.000 0.000 0.233 118 S C 1.492 176.175 174.600 0.139 0.000 1.006 118 S CA 0.786 59.001 58.200 0.025 0.000 0.957 118 S CB 0.007 63.101 63.200 -0.177 0.000 0.773 118 S HN 0.246 nan 8.310 nan 0.000 0.507 119 L N 1.034 122.341 121.223 0.141 0.000 2.728 119 L HA 0.235 4.575 4.340 0.000 0.000 0.238 119 L C -0.167 176.905 176.870 0.337 0.000 1.143 119 L CA 0.089 55.036 54.840 0.179 0.000 0.937 119 L CB 0.313 42.369 42.059 -0.006 0.000 1.225 119 L HN 0.091 nan 8.230 nan 0.000 0.507 120 T N 0.025 114.783 114.554 0.339 0.000 2.823 120 T HA 0.471 4.821 4.350 0.000 0.000 0.279 120 T C -0.500 174.270 174.700 0.116 0.000 0.998 120 T CA -0.468 61.799 62.100 0.277 0.000 0.994 120 T CB 2.271 71.245 68.868 0.176 0.000 0.960 120 T HN -0.083 nan 8.240 nan 0.000 0.448 121 R N 1.783 122.299 120.500 0.026 0.000 2.388 121 R HA 0.622 4.962 4.340 0.000 0.000 0.314 121 R C 0.374 176.627 176.300 -0.079 0.000 0.959 121 R CA -0.428 55.557 56.100 -0.192 0.000 0.851 121 R CB 0.410 30.458 30.300 -0.420 0.000 1.168 121 R HN 0.819 nan 8.270 nan 0.000 0.472 122 G N 3.589 112.341 108.800 -0.080 0.000 2.553 122 G HA2 0.396 4.356 3.960 0.000 0.000 0.278 122 G HA3 0.396 4.356 3.960 0.000 0.000 0.278 122 G C -2.088 172.774 174.900 -0.064 0.000 1.349 122 G CA -0.938 44.124 45.100 -0.063 0.000 1.037 122 G HN 0.609 nan 8.290 nan 0.000 0.508 123 P HA 0.425 nan 4.420 nan 0.000 0.278 123 P C -0.668 176.602 177.300 -0.049 0.000 1.258 123 P CA -0.421 62.646 63.100 -0.054 0.000 0.811 123 P CB 1.837 33.501 31.700 -0.059 0.000 1.063 124 R N 0.070 120.543 120.500 -0.045 0.000 3.018 124 R HA 0.452 4.792 4.340 0.000 0.000 0.243 124 R C -0.330 175.943 176.300 -0.046 0.000 1.315 124 R CA -0.487 55.588 56.100 -0.041 0.000 1.039 124 R CB 0.797 31.076 30.300 -0.036 0.000 1.315 124 R HN 0.451 nan 8.270 nan 0.000 0.492 125 D N -1.045 119.331 120.400 -0.041 0.000 2.583 125 D HA 0.170 4.810 4.640 0.000 0.000 0.282 125 D C -0.760 175.519 176.300 -0.035 0.000 1.485 125 D CA -0.340 53.631 54.000 -0.049 0.000 0.834 125 D CB 0.397 41.170 40.800 -0.045 0.000 1.258 125 D HN 0.205 nan 8.370 nan 0.000 0.470 126 K N 0.243 120.629 120.400 -0.023 0.000 2.546 126 K HA 0.478 4.798 4.320 0.000 0.000 0.264 126 K C -2.969 173.630 176.600 -0.002 0.000 0.937 126 K CA -1.783 54.499 56.287 -0.009 0.000 0.833 126 K CB 2.472 34.968 32.500 -0.005 0.000 1.378 126 K HN -0.222 nan 8.250 nan 0.000 0.432 127 P HA -0.052 nan 4.420 nan 0.000 0.271 127 P C -0.639 176.668 177.300 0.013 0.000 1.233 127 P CA -0.011 63.098 63.100 0.015 0.000 0.795 127 P CB 0.340 32.055 31.700 0.025 0.000 0.936 128 T N 2.813 117.378 114.554 0.018 0.000 2.814 128 T HA 0.216 4.566 4.350 0.000 0.000 0.297 128 T C -2.122 172.596 174.700 0.030 0.000 0.956 128 T CA -0.825 61.291 62.100 0.025 0.000 1.123 128 T CB -0.344 68.548 68.868 0.040 0.000 0.902 128 T HN 0.277 nan 8.240 nan 0.000 0.528 129 P HA 0.022 nan 4.420 nan 0.000 0.263 129 P C 0.578 177.888 177.300 0.017 0.000 1.175 129 P CA -0.206 62.903 63.100 0.016 0.000 0.761 129 P CB 0.421 32.127 31.700 0.010 0.000 0.794 130 L N 3.330 124.560 121.223 0.011 0.000 2.131 130 L HA -0.189 4.151 4.340 0.000 0.000 0.210 130 L C 2.297 179.158 176.870 -0.015 0.000 1.092 130 L CA 1.675 56.518 54.840 0.006 0.000 0.759 130 L CB -1.246 40.816 42.059 0.004 0.000 0.903 130 L HN 0.502 nan 8.230 nan 0.000 0.435 131 E N 0.220 120.408 120.200 -0.021 0.000 2.153 131 E HA -0.235 4.115 4.350 0.000 0.000 0.194 131 E C 1.479 178.034 176.600 -0.075 0.000 0.988 131 E CA 1.495 57.871 56.400 -0.040 0.000 0.811 131 E CB -0.318 29.364 29.700 -0.031 0.000 0.746 131 E HN 0.662 nan 8.360 nan 0.000 0.466 132 E N 0.567 120.730 120.200 -0.061 0.000 2.102 132 E HA -0.035 4.315 4.350 0.000 0.000 0.190 132 E C 2.239 178.758 176.600 -0.136 0.000 0.971 132 E CA 0.275 56.606 56.400 -0.116 0.000 0.821 132 E CB -0.180 29.526 29.700 0.011 0.000 0.777 132 E HN 0.097 nan 8.360 nan 0.000 0.460 133 L N 1.834 123.062 121.223 0.008 0.000 1.961 133 L HA -0.157 4.183 4.340 0.000 0.000 0.210 133 L C 2.323 179.207 176.870 0.022 0.000 1.072 133 L CA 1.453 56.343 54.840 0.083 0.000 0.749 133 L CB -0.868 41.249 42.059 0.096 0.000 0.889 133 L HN 0.136 nan 8.230 nan 0.000 0.432 134 L N 0.305 121.509 121.223 -0.033 0.000 2.034 134 L HA -0.178 4.162 4.340 0.000 0.000 0.217 134 L C -0.539 176.297 176.870 -0.057 0.000 1.077 134 L CA 2.404 57.207 54.840 -0.063 0.000 0.769 134 L CB -1.950 40.074 42.059 -0.060 0.000 0.890 134 L HN 0.235 nan 8.230 nan 0.000 0.435 135 P HA -0.132 nan 4.420 nan 0.000 0.215 135 P C 1.298 178.587 177.300 -0.017 0.000 1.157 135 P CA 1.616 64.649 63.100 -0.111 0.000 0.863 135 P CB -0.222 31.339 31.700 -0.232 0.000 0.787 136 H N -0.554 118.558 119.070 0.069 0.000 2.357 136 H HA 0.036 4.592 4.556 0.000 0.000 0.301 136 H C 1.981 177.412 175.328 0.172 0.000 1.082 136 H CA 1.497 57.614 56.048 0.115 0.000 1.342 136 H CB -1.110 28.716 29.762 0.107 0.000 1.389 136 H HN 0.043 nan 8.280 nan 0.000 0.511 137 A N 1.726 124.688 122.820 0.237 0.000 1.865 137 A HA -0.137 4.183 4.320 0.000 0.000 0.217 137 A C 2.483 180.163 177.584 0.160 0.000 1.191 137 A CA 1.474 53.602 52.037 0.152 0.000 0.623 137 A CB -0.578 18.256 19.000 -0.276 0.000 0.826 137 A HN 0.199 nan 8.150 nan 0.000 0.444 138 I N -0.050 120.569 120.570 0.081 0.000 2.163 138 I HA -0.219 3.951 4.170 0.000 0.000 0.243 138 I C 2.475 178.686 176.117 0.156 0.000 1.085 138 I CA 2.045 63.401 61.300 0.093 0.000 1.347 138 I CB -1.449 36.580 38.000 0.048 0.000 1.044 138 I HN 0.442 nan 8.210 nan 0.000 0.408 139 E N 1.419 121.726 120.200 0.179 0.000 2.038 139 E HA -0.288 4.062 4.350 0.000 0.000 0.195 139 E C 2.186 178.929 176.600 0.239 0.000 1.000 139 E CA 1.613 58.131 56.400 0.197 0.000 0.803 139 E CB -0.684 29.150 29.700 0.223 0.000 0.750 139 E HN 0.366 nan 8.360 nan 0.000 0.448 140 F N 0.714 120.774 119.950 0.183 0.000 2.102 140 F HA -0.141 4.386 4.527 0.000 0.000 0.298 140 F C 1.922 177.851 175.800 0.216 0.000 1.105 140 F CA 1.284 59.410 58.000 0.210 0.000 1.239 140 F CB -0.302 38.841 39.000 0.237 0.000 0.991 140 F HN 0.058 nan 8.300 nan 0.000 0.474 141 I N 0.940 121.516 120.570 0.010 0.000 2.264 141 I HA -0.310 3.860 4.170 0.000 0.000 0.248 141 I C 2.015 178.135 176.117 0.005 0.000 1.111 141 I CA 1.239 62.526 61.300 -0.022 0.000 1.382 141 I CB -1.600 36.520 38.000 0.199 0.000 1.060 141 I HN 0.280 nan 8.210 nan 0.000 0.418 142 N N 0.714 119.463 118.700 0.081 0.000 2.188 142 N HA -0.215 4.525 4.740 0.000 0.000 0.184 142 N C 1.866 177.345 175.510 -0.052 0.000 1.018 142 N CA 0.990 54.095 53.050 0.092 0.000 0.858 142 N CB -0.237 38.358 38.487 0.179 0.000 0.989 142 N HN 0.557 nan 8.380 nan 0.000 0.426 143 Q N 0.026 119.790 119.800 -0.060 0.000 2.079 143 Q HA -0.179 4.161 4.340 0.000 0.000 0.200 143 Q C 2.087 177.909 176.000 -0.297 0.000 0.974 143 Q CA 1.074 56.840 55.803 -0.062 0.000 0.840 143 Q CB -0.245 28.555 28.738 0.104 0.000 0.898 143 Q HN 0.434 nan 8.270 nan 0.000 0.430 144 Y N -0.091 119.783 120.300 -0.710 0.000 2.070 144 Y HA -0.314 4.236 4.550 0.000 0.000 0.280 144 Y C 1.658 176.872 175.900 -1.143 0.000 1.148 144 Y CA 2.110 59.431 58.100 -1.298 0.000 1.125 144 Y CB -0.494 37.204 38.460 -1.270 0.000 0.975 144 Y HN 0.182 nan 8.280 nan 0.000 0.492 145 Y N 0.282 120.205 120.300 -0.628 0.000 2.333 145 Y HA -0.071 4.479 4.550 0.000 0.000 0.290 145 Y C 2.587 178.278 175.900 -0.349 0.000 1.144 145 Y CA 1.296 59.136 58.100 -0.433 0.000 1.228 145 Y CB -0.868 37.217 38.460 -0.626 0.000 0.985 145 Y HN 0.290 nan 8.280 nan 0.000 0.542 146 G N -1.235 107.400 108.800 -0.275 0.000 2.448 146 G HA2 -0.228 3.732 3.960 0.000 0.000 0.218 146 G HA3 -0.228 3.732 3.960 0.000 0.000 0.218 146 G C 1.823 176.585 174.900 -0.229 0.000 1.135 146 G CA 0.986 45.999 45.100 -0.146 0.000 0.784 146 G HN 0.467 nan 8.290 nan 0.000 0.543 147 S N 0.137 115.531 115.700 -0.510 0.000 2.447 147 S HA 0.118 4.588 4.470 0.000 0.000 0.233 147 S C 0.778 175.106 174.600 -0.453 0.000 1.006 147 S CA -0.192 57.717 58.200 -0.485 0.000 0.957 147 S CB -0.429 62.367 63.200 -0.672 0.000 0.773 147 S HN 0.048 nan 8.310 nan 0.000 0.507 148 F N 2.541 122.308 119.950 -0.306 0.000 2.553 148 F HA 0.347 4.874 4.527 0.000 0.000 0.356 148 F C 1.639 177.372 175.800 -0.112 0.000 1.142 148 F CA -0.552 57.319 58.000 -0.215 0.000 1.322 148 F CB 0.540 39.409 39.000 -0.218 0.000 1.126 148 F HN 0.022 nan 8.300 nan 0.000 0.599 149 K N 0.700 121.171 120.400 0.119 0.000 2.103 149 K HA -0.038 4.282 4.320 0.000 0.000 0.204 149 K C -0.213 176.421 176.600 0.056 0.000 1.052 149 K CA 1.158 57.480 56.287 0.059 0.000 0.945 149 K CB 0.132 32.656 32.500 0.041 0.000 0.722 149 K HN 0.649 nan 8.250 nan 0.000 0.443 150 E N 0.750 120.989 120.200 0.065 0.000 2.145 150 E HA 0.279 4.629 4.350 0.000 0.000 0.262 150 E C -1.274 175.344 176.600 0.030 0.000 0.883 150 E CA -0.668 55.749 56.400 0.029 0.000 0.748 150 E CB 1.766 31.466 29.700 -0.001 0.000 1.140 150 E HN 0.275 nan 8.360 nan 0.000 0.417 151 A N 3.690 126.538 122.820 0.046 0.000 2.520 151 A HA 0.044 4.364 4.320 0.000 0.000 0.235 151 A C 0.033 177.621 177.584 0.006 0.000 1.065 151 A CA 0.306 52.380 52.037 0.063 0.000 0.764 151 A CB 0.193 19.235 19.000 0.070 0.000 1.002 151 A HN 0.605 nan 8.150 nan 0.000 0.502 152 K N 2.871 123.280 120.400 0.016 0.000 2.842 152 K HA 0.310 4.630 4.320 0.000 0.000 0.176 152 K C 0.327 176.912 176.600 -0.025 0.000 1.080 152 K CA -0.176 56.087 56.287 -0.040 0.000 0.954 152 K CB 0.628 33.060 32.500 -0.113 0.000 1.203 152 K HN 0.675 nan 8.250 nan 0.000 0.611 153 I N 0.500 121.064 120.570 -0.010 0.000 2.151 153 I HA -0.368 3.803 4.170 0.000 0.000 0.243 153 I C 2.471 178.530 176.117 -0.096 0.000 1.080 153 I CA 1.627 62.908 61.300 -0.032 0.000 1.339 153 I CB -0.134 37.842 38.000 -0.040 0.000 1.039 153 I HN 0.619 nan 8.210 nan 0.000 0.409 154 E N 1.398 121.548 120.200 -0.084 0.000 2.038 154 E HA -0.263 4.087 4.350 0.000 0.000 0.195 154 E C 2.103 178.632 176.600 -0.118 0.000 1.000 154 E CA 1.590 57.936 56.400 -0.090 0.000 0.803 154 E CB -0.022 29.641 29.700 -0.062 0.000 0.750 154 E HN 0.469 nan 8.360 nan 0.000 0.448 155 E N -0.548 119.579 120.200 -0.122 0.000 2.097 155 E HA -0.275 4.075 4.350 0.000 0.000 0.196 155 E C 2.086 178.437 176.600 -0.415 0.000 1.000 155 E CA 1.487 57.801 56.400 -0.143 0.000 0.804 155 E CB -0.329 29.352 29.700 -0.032 0.000 0.740 155 E HN 0.502 nan 8.360 nan 0.000 0.454 156 H N 0.300 118.874 119.070 -0.828 0.000 2.293 156 H HA -0.128 4.428 4.556 0.000 0.000 0.300 156 H C 2.279 177.315 175.328 -0.487 0.000 1.082 156 H CA 0.862 56.216 56.048 -1.157 0.000 1.308 156 H CB 0.154 29.520 29.762 -0.659 0.000 1.375 156 H HN 0.057 nan 8.280 nan 0.000 0.495 157 L N 0.790 121.862 121.223 -0.252 0.000 2.012 157 L HA -0.193 4.147 4.340 0.000 0.000 0.210 157 L C 2.947 179.746 176.870 -0.117 0.000 1.073 157 L CA 1.649 56.362 54.840 -0.211 0.000 0.748 157 L CB -1.638 40.318 42.059 -0.173 0.000 0.891 157 L HN 0.479 nan 8.230 nan 0.000 0.431 158 A N -0.215 122.545 122.820 -0.099 0.000 1.865 158 A HA -0.277 4.043 4.320 0.000 0.000 0.217 158 A C 2.392 179.973 177.584 -0.006 0.000 1.191 158 A CA 1.963 53.974 52.037 -0.044 0.000 0.623 158 A CB -0.548 18.435 19.000 -0.030 0.000 0.826 158 A HN 0.307 nan 8.150 nan 0.000 0.444 159 R N 0.037 120.540 120.500 0.006 0.000 2.091 159 R HA -0.068 4.272 4.340 0.000 0.000 0.238 159 R C 1.929 178.287 176.300 0.097 0.000 1.136 159 R CA 1.736 57.902 56.100 0.109 0.000 0.959 159 R CB -1.022 29.438 30.300 0.266 0.000 0.856 159 R HN 0.551 nan 8.270 nan 0.000 0.437 160 L N 0.134 121.396 121.223 0.066 0.000 2.012 160 L HA -0.206 4.134 4.340 0.000 0.000 0.210 160 L C 2.617 179.490 176.870 0.006 0.000 1.073 160 L CA 2.154 57.021 54.840 0.045 0.000 0.748 160 L CB -0.572 41.486 42.059 -0.002 0.000 0.891 160 L HN 0.434 nan 8.230 nan 0.000 0.431 161 E N 0.122 120.317 120.200 -0.008 0.000 2.047 161 E HA -0.235 4.115 4.350 0.000 0.000 0.191 161 E C 2.205 178.808 176.600 0.005 0.000 0.987 161 E CA 1.130 57.524 56.400 -0.011 0.000 0.799 161 E CB -0.012 29.678 29.700 -0.017 0.000 0.752 161 E HN 0.443 nan 8.360 nan 0.000 0.449 162 A N 0.762 123.596 122.820 0.024 0.000 1.908 162 A HA -0.160 4.160 4.320 0.000 0.000 0.218 162 A C 2.430 180.043 177.584 0.047 0.000 1.181 162 A CA 1.625 53.687 52.037 0.042 0.000 0.627 162 A CB -0.806 18.232 19.000 0.063 0.000 0.818 162 A HN 0.240 nan 8.150 nan 0.000 0.445 163 V N -0.187 119.752 119.914 0.041 0.000 2.295 163 V HA -0.256 3.864 4.120 0.000 0.000 0.246 163 V C 2.776 178.828 176.094 -0.071 0.000 1.049 163 V CA 2.554 64.848 62.300 -0.010 0.000 1.024 163 V CB -1.368 30.404 31.823 -0.085 0.000 0.648 163 V HN 0.639 nan 8.190 nan 0.000 0.447 164 T N -0.387 114.131 114.554 -0.059 0.000 2.652 164 T HA -0.250 4.100 4.350 0.000 0.000 0.267 164 T C 2.011 176.697 174.700 -0.023 0.000 1.039 164 T CA 1.727 63.795 62.100 -0.054 0.000 1.153 164 T CB -0.311 68.535 68.868 -0.038 0.000 0.863 164 T HN 0.256 nan 8.240 nan 0.000 0.428 165 K N 1.102 121.499 120.400 -0.004 0.000 2.103 165 K HA -0.047 4.273 4.320 0.000 0.000 0.207 165 K C 2.217 178.831 176.600 0.024 0.000 1.048 165 K CA 1.160 57.453 56.287 0.009 0.000 0.930 165 K CB -0.332 32.176 32.500 0.014 0.000 0.716 165 K HN 0.492 nan 8.250 nan 0.000 0.444 166 E N 0.067 120.290 120.200 0.039 0.000 2.106 166 E HA -0.124 4.226 4.350 0.000 0.000 0.192 166 E C 1.785 178.428 176.600 0.071 0.000 0.984 166 E CA 0.979 57.421 56.400 0.070 0.000 0.806 166 E CB -0.001 29.771 29.700 0.120 0.000 0.750 166 E HN 0.246 nan 8.360 nan 0.000 0.458 167 I N 0.964 121.561 120.570 0.045 0.000 2.315 167 I HA -0.235 3.935 4.170 0.000 0.000 0.248 167 I C 2.158 178.293 176.117 0.030 0.000 1.117 167 I CA 1.101 62.426 61.300 0.041 0.000 1.404 167 I CB -0.264 37.726 38.000 -0.016 0.000 1.071 167 I HN 0.128 nan 8.210 nan 0.000 0.419 168 E N 0.534 120.744 120.200 0.016 0.000 2.051 168 E HA -0.213 4.137 4.350 0.000 0.000 0.192 168 E C 2.196 178.809 176.600 0.021 0.000 0.991 168 E CA 2.061 58.469 56.400 0.014 0.000 0.799 168 E CB -0.260 29.444 29.700 0.007 0.000 0.748 168 E HN 0.592 nan 8.360 nan 0.000 0.449 169 T N -1.518 113.052 114.554 0.027 0.000 2.985 169 T HA -0.051 4.299 4.350 0.000 0.000 0.266 169 T C 2.000 176.722 174.700 0.036 0.000 1.076 169 T CA 1.418 63.536 62.100 0.030 0.000 1.135 169 T CB -0.113 68.774 68.868 0.030 0.000 0.890 169 T HN 0.223 nan 8.240 nan 0.000 0.480 170 T N -3.411 111.171 114.554 0.046 0.000 2.975 170 T HA 0.513 4.863 4.350 0.000 0.000 0.261 170 T C 1.756 176.487 174.700 0.053 0.000 0.984 170 T CA 0.529 62.659 62.100 0.050 0.000 0.911 170 T CB 0.007 68.912 68.868 0.061 0.000 1.127 170 T HN 0.921 nan 8.240 nan 0.000 0.514 171 G N 0.375 109.207 108.800 0.055 0.000 2.143 171 G HA2 -0.125 3.835 3.960 0.000 0.000 0.248 171 G HA3 -0.125 3.835 3.960 0.000 0.000 0.248 171 G C 0.139 175.084 174.900 0.076 0.000 0.991 171 G CA 0.570 45.702 45.100 0.054 0.000 0.689 171 G HN 1.059 nan 8.290 nan 0.000 0.522 172 T N -1.793 112.827 114.554 0.111 0.000 2.660 172 T HA 0.617 4.967 4.350 0.000 0.000 0.299 172 T C -1.756 173.113 174.700 0.281 0.000 1.763 172 T CA 0.505 62.710 62.100 0.175 0.000 0.959 172 T CB 0.946 69.868 68.868 0.091 0.000 1.935 172 T HN 1.753 nan 8.240 nan 0.000 0.470 173 Y N -0.336 119.977 120.300 0.022 0.000 2.689 173 Y HA 0.813 5.363 4.550 0.000 0.000 0.333 173 Y C -1.708 174.215 175.900 0.039 0.000 1.208 173 Y CA -1.166 56.957 58.100 0.038 0.000 1.055 173 Y CB 0.837 39.333 38.460 0.059 0.000 1.304 173 Y HN 0.449 nan 8.280 nan 0.000 0.455 174 Q N 2.305 122.089 119.800 -0.026 0.000 2.312 174 Q HA 0.527 4.867 4.340 0.000 0.000 0.263 174 Q C -0.919 175.041 176.000 -0.067 0.000 0.995 174 Q CA -0.790 54.949 55.803 -0.107 0.000 0.853 174 Q CB 2.959 31.697 28.738 0.001 0.000 1.300 174 Q HN 0.847 nan 8.270 nan 0.000 0.448 175 L N 1.520 122.683 121.223 -0.100 0.000 2.418 175 L HA 0.326 4.666 4.340 0.000 0.000 0.265 175 L C 1.041 177.923 176.870 0.020 0.000 1.143 175 L CA -0.502 54.339 54.840 0.003 0.000 0.809 175 L CB 0.726 42.785 42.059 -0.000 0.000 1.124 175 L HN 0.668 nan 8.230 nan 0.000 0.456 176 T N -0.955 113.608 114.554 0.016 0.000 2.868 176 T HA 0.111 4.462 4.350 0.000 0.000 0.292 176 T C 0.972 175.665 174.700 -0.012 0.000 1.028 176 T CA -0.738 61.364 62.100 0.003 0.000 1.059 176 T CB 1.119 69.982 68.868 -0.009 0.000 0.991 176 T HN 0.479 nan 8.240 nan 0.000 0.531 177 L N 0.891 122.113 121.223 -0.002 0.000 2.081 177 L HA -0.059 4.281 4.340 0.000 0.000 0.212 177 L C 2.058 178.935 176.870 0.011 0.000 1.080 177 L CA 2.081 56.915 54.840 -0.010 0.000 0.754 177 L CB -1.184 40.869 42.059 -0.009 0.000 0.893 177 L HN 0.920 nan 8.230 nan 0.000 0.433 178 D N -0.783 119.641 120.400 0.040 0.000 2.144 178 D HA -0.178 4.462 4.640 0.000 0.000 0.200 178 D C 2.043 178.426 176.300 0.139 0.000 0.978 178 D CA 1.279 55.350 54.000 0.118 0.000 0.833 178 D CB 0.073 40.995 40.800 0.202 0.000 0.961 178 D HN 0.548 nan 8.370 nan 0.000 0.470 179 E N -0.489 119.651 120.200 -0.099 0.000 2.106 179 E HA -0.148 4.202 4.350 0.000 0.000 0.192 179 E C 1.976 178.710 176.600 0.223 0.000 0.984 179 E CA 0.381 56.683 56.400 -0.164 0.000 0.806 179 E CB -0.048 29.475 29.700 -0.295 0.000 0.750 179 E HN 0.222 nan 8.360 nan 0.000 0.458 180 L N 1.224 122.490 121.223 0.071 0.000 2.017 180 L HA -0.149 4.191 4.340 0.000 0.000 0.208 180 L C 2.055 178.930 176.870 0.009 0.000 1.073 180 L CA 1.540 56.367 54.840 -0.022 0.000 0.745 180 L CB -0.308 41.682 42.059 -0.116 0.000 0.894 180 L HN 0.104 nan 8.230 nan 0.000 0.432 181 I N -1.205 119.393 120.570 0.046 0.000 2.163 181 I HA -0.347 3.823 4.170 0.000 0.000 0.243 181 I C 2.391 178.591 176.117 0.139 0.000 1.085 181 I CA 1.751 63.081 61.300 0.051 0.000 1.347 181 I CB -0.475 37.558 38.000 0.056 0.000 1.044 181 I HN 0.323 nan 8.210 nan 0.000 0.408 182 F N 1.815 121.833 119.950 0.114 0.000 2.126 182 F HA -0.268 4.259 4.527 0.000 0.000 0.299 182 F C 2.451 178.358 175.800 0.180 0.000 1.096 182 F CA 1.524 59.627 58.000 0.172 0.000 1.255 182 F CB -0.420 38.757 39.000 0.296 0.000 0.997 182 F HN 0.013 nan 8.300 nan 0.000 0.479 183 A N -0.227 122.696 122.820 0.172 0.000 1.902 183 A HA -0.192 4.128 4.320 0.000 0.000 0.217 183 A C 2.266 179.753 177.584 -0.161 0.000 1.181 183 A CA 2.464 54.489 52.037 -0.019 0.000 0.623 183 A CB -1.616 17.333 19.000 -0.085 0.000 0.818 183 A HN 0.547 nan 8.150 nan 0.000 0.443 184 T N -1.773 112.722 114.554 -0.098 0.000 2.777 184 T HA -0.112 4.238 4.350 0.000 0.000 0.266 184 T C 1.814 176.550 174.700 0.060 0.000 1.040 184 T CA 1.535 63.612 62.100 -0.038 0.000 1.141 184 T CB -0.306 68.554 68.868 -0.013 0.000 0.868 184 T HN 0.523 nan 8.240 nan 0.000 0.444 185 K N 0.195 120.635 120.400 0.067 0.000 2.097 185 K HA 0.093 4.413 4.320 0.000 0.000 0.205 185 K C 2.492 179.157 176.600 0.108 0.000 1.050 185 K CA 1.087 57.502 56.287 0.214 0.000 0.938 185 K CB -0.219 32.404 32.500 0.205 0.000 0.718 185 K HN 0.252 nan 8.250 nan 0.000 0.442 186 M N 0.543 120.030 119.600 -0.189 0.000 2.132 186 M HA -0.073 4.407 4.480 0.000 0.000 0.263 186 M C 2.450 178.592 176.300 -0.265 0.000 1.065 186 M CA 1.387 56.481 55.300 -0.343 0.000 1.122 186 M CB -1.063 31.215 32.600 -0.537 0.000 1.365 186 M HN 0.143 nan 8.290 nan 0.000 0.411 187 A N -0.637 122.001 122.820 -0.304 0.000 1.933 187 A HA -0.216 4.104 4.320 0.000 0.000 0.218 187 A C 2.005 179.423 177.584 -0.278 0.000 1.175 187 A CA 1.552 53.278 52.037 -0.518 0.000 0.628 187 A CB -1.153 17.160 19.000 -1.145 0.000 0.814 187 A HN 0.689 nan 8.150 nan 0.000 0.444 188 W N 0.959 122.156 121.300 -0.172 0.000 2.379 188 W HA -0.131 4.529 4.660 0.000 0.000 0.307 188 W C 2.268 178.699 176.519 -0.146 0.000 1.200 188 W CA 1.532 58.850 57.345 -0.046 0.000 1.297 188 W CB -0.786 28.652 29.460 -0.037 0.000 1.140 188 W HN 0.357 nan 8.180 nan 0.000 0.507 189 R N 0.374 120.792 120.500 -0.137 0.000 2.139 189 R HA -0.188 4.152 4.340 0.000 0.000 0.243 189 R C 1.210 177.345 176.300 -0.274 0.000 1.145 189 R CA 1.804 57.648 56.100 -0.427 0.000 0.976 189 R CB -0.521 29.331 30.300 -0.745 0.000 0.866 189 R HN 0.093 nan 8.270 nan 0.000 0.449 190 N N 0.025 118.603 118.700 -0.204 0.000 2.314 190 N HA 0.065 4.805 4.740 0.000 0.000 0.200 190 N C -0.793 174.633 175.510 -0.140 0.000 1.135 190 N CA 0.405 53.368 53.050 -0.145 0.000 0.835 190 N CB 1.066 39.512 38.487 -0.068 0.000 0.989 190 N HN 0.151 nan 8.380 nan 0.000 0.478 191 A N 1.658 124.388 122.820 -0.150 0.000 2.376 191 A HA 0.348 4.668 4.320 0.000 0.000 0.298 191 A C -1.331 176.182 177.584 -0.118 0.000 1.271 191 A CA -1.098 50.809 52.037 -0.216 0.000 0.926 191 A CB 0.555 19.484 19.000 -0.118 0.000 1.141 191 A HN -0.037 nan 8.150 nan 0.000 0.539 192 P HA -0.119 nan 4.420 nan 0.000 0.222 192 P C 0.964 178.222 177.300 -0.071 0.000 1.147 192 P CA 1.134 64.190 63.100 -0.074 0.000 0.790 192 P CB 0.173 31.842 31.700 -0.051 0.000 0.780 193 R N -2.038 118.387 120.500 -0.126 0.000 2.359 193 R HA 0.184 4.524 4.340 0.000 0.000 0.231 193 R C 0.120 176.439 176.300 0.030 0.000 0.913 193 R CA -0.162 55.898 56.100 -0.067 0.000 1.075 193 R CB -0.354 29.702 30.300 -0.407 0.000 1.087 193 R HN 0.181 nan 8.270 nan 0.000 0.515 194 C N 0.775 120.059 119.300 -0.026 0.000 2.273 194 C HA 0.350 4.810 4.460 0.000 0.000 0.328 194 C C 1.652 176.596 174.990 -0.077 0.000 1.275 194 C CA -0.810 58.217 59.018 0.016 0.000 1.704 194 C CB -0.381 27.425 27.740 0.111 0.000 2.326 194 C HN 0.577 nan 8.230 nan 0.000 0.517 195 I N 4.198 124.701 120.570 -0.112 0.000 3.578 195 I HA 0.202 4.372 4.170 0.000 0.000 0.295 195 I C 1.725 177.882 176.117 0.066 0.000 1.280 195 I CA 0.920 62.093 61.300 -0.212 0.000 1.347 195 I CB 0.099 37.989 38.000 -0.184 0.000 1.051 195 I HN 0.920 nan 8.210 nan 0.000 0.460 196 G N 0.099 108.950 108.800 0.084 0.000 3.434 196 G HA2 0.072 4.032 3.960 0.000 0.000 0.258 196 G HA3 0.072 4.032 3.960 0.000 0.000 0.258 196 G C 1.175 176.120 174.900 0.074 0.000 1.128 196 G CA -0.384 44.772 45.100 0.094 0.000 0.792 196 G HN 0.234 nan 8.290 nan 0.000 0.539 197 R N -0.156 120.324 120.500 -0.033 0.000 2.377 197 R HA 0.100 4.440 4.340 0.000 0.000 0.207 197 R C 1.911 177.752 176.300 -0.766 0.000 1.075 197 R CA 0.186 55.989 56.100 -0.495 0.000 1.035 197 R CB -0.140 29.845 30.300 -0.526 0.000 0.857 197 R HN 0.459 nan 8.270 nan 0.000 0.475 198 I N 0.651 120.970 120.570 -0.419 0.000 2.830 198 I HA -0.214 3.956 4.170 0.000 0.000 0.263 198 I C 1.368 177.414 176.117 -0.119 0.000 1.230 198 I CA 1.115 62.329 61.300 -0.144 0.000 1.480 198 I CB 0.188 38.217 38.000 0.048 0.000 1.095 198 I HN 0.178 nan 8.210 nan 0.000 0.455 199 Q N 0.603 120.262 119.800 -0.235 0.000 2.403 199 Q HA -0.104 4.236 4.340 0.000 0.000 0.203 199 Q C 1.652 177.209 176.000 -0.738 0.000 0.932 199 Q CA 0.424 56.072 55.803 -0.257 0.000 0.945 199 Q CB -0.207 28.540 28.738 0.015 0.000 1.045 199 Q HN 0.772 nan 8.270 nan 0.000 0.511 200 W N 1.325 121.800 121.300 -1.376 0.000 2.276 200 W HA -0.279 4.381 4.660 0.000 0.000 0.307 200 W C 1.316 177.442 176.519 -0.656 0.000 1.240 200 W CA 1.708 58.004 57.345 -1.749 0.000 1.249 200 W CB -1.437 27.297 29.460 -1.210 0.000 1.140 200 W HN 0.187 nan 8.180 nan 0.000 0.519 201 S N 0.325 115.175 115.700 -1.416 0.000 2.562 201 S HA -0.043 4.427 4.470 0.000 0.000 0.221 201 S C 0.689 175.030 174.600 -0.432 0.000 0.975 201 S CA 0.484 58.038 58.200 -1.075 0.000 0.918 201 S CB -0.652 61.707 63.200 -1.401 0.000 0.772 201 S HN 0.204 nan 8.310 nan 0.000 0.531 202 N N 1.344 119.883 118.700 -0.268 0.000 3.083 202 N HA 0.461 5.201 4.740 0.000 0.000 0.260 202 N C -1.343 174.254 175.510 0.146 0.000 1.163 202 N CA -0.494 52.532 53.050 -0.039 0.000 1.060 202 N CB 0.249 38.739 38.487 0.005 0.000 1.345 202 N HN 0.407 nan 8.380 nan 0.000 0.515 203 L N 1.706 122.987 121.223 0.096 0.000 2.470 203 L HA 0.484 4.824 4.340 0.000 0.000 0.268 203 L C -0.889 175.945 176.870 -0.060 0.000 0.964 203 L CA -0.710 54.183 54.840 0.088 0.000 0.839 203 L CB 1.920 44.090 42.059 0.184 0.000 1.276 203 L HN 0.289 nan 8.230 nan 0.000 0.403 204 Q N 3.108 122.821 119.800 -0.145 0.000 2.267 204 Q HA 0.624 4.964 4.340 0.000 0.000 0.255 204 Q C -1.717 173.939 176.000 -0.573 0.000 0.923 204 Q CA -0.186 55.376 55.803 -0.402 0.000 0.925 204 Q CB 1.570 29.965 28.738 -0.572 0.000 1.195 204 Q HN 0.524 nan 8.270 nan 0.000 0.417 205 V N 5.759 125.312 119.914 -0.602 0.000 2.378 205 V HA 0.426 4.546 4.120 0.000 0.000 0.288 205 V C -0.998 174.731 176.094 -0.609 0.000 1.016 205 V CA -0.603 61.393 62.300 -0.507 0.000 0.840 205 V CB 0.724 32.387 31.823 -0.267 0.000 0.994 205 V HN 0.676 nan 8.190 nan 0.000 0.431 206 F N 2.678 122.461 119.950 -0.278 0.000 2.391 206 F HA 0.381 4.908 4.527 0.000 0.000 0.359 206 F C 0.526 176.143 175.800 -0.306 0.000 1.122 206 F CA -1.111 56.723 58.000 -0.276 0.000 1.120 206 F CB 0.979 39.810 39.000 -0.282 0.000 1.142 206 F HN 0.433 nan 8.300 nan 0.000 0.483 207 D N 3.291 123.637 120.400 -0.089 0.000 2.374 207 D HA 0.368 5.008 4.640 0.000 0.000 0.240 207 D C 0.209 176.356 176.300 -0.256 0.000 1.229 207 D CA 0.104 54.001 54.000 -0.172 0.000 0.895 207 D CB 0.953 41.689 40.800 -0.107 0.000 1.046 207 D HN 0.597 nan 8.370 nan 0.000 0.498 208 A N 4.492 127.024 122.820 -0.480 0.000 2.630 208 A HA 0.161 4.481 4.320 0.000 0.000 0.290 208 A C 1.608 178.953 177.584 -0.398 0.000 1.267 208 A CA -0.402 51.216 52.037 -0.698 0.000 0.950 208 A CB 0.010 18.101 19.000 -1.515 0.000 1.144 208 A HN 0.530 nan 8.150 nan 0.000 0.527 209 R N 1.034 121.394 120.500 -0.232 0.000 2.357 209 R HA -0.085 4.255 4.340 0.000 0.000 0.202 209 R C 1.157 177.399 176.300 -0.097 0.000 1.047 209 R CA 1.178 57.201 56.100 -0.129 0.000 1.034 209 R CB -0.010 30.268 30.300 -0.035 0.000 0.875 209 R HN 0.763 nan 8.270 nan 0.000 0.473 210 N N -0.409 118.250 118.700 -0.069 0.000 2.299 210 N HA -0.055 4.685 4.740 0.000 0.000 0.187 210 N C 0.588 176.133 175.510 0.059 0.000 1.099 210 N CA -0.141 52.913 53.050 0.006 0.000 0.867 210 N CB -0.214 38.293 38.487 0.033 0.000 0.974 210 N HN 0.001 nan 8.380 nan 0.000 0.477 211 C N 2.070 121.400 119.300 0.049 0.000 2.702 211 C HA 0.207 4.667 4.460 0.000 0.000 0.411 211 C C 1.818 176.971 174.990 0.270 0.000 1.286 211 C CA 0.767 59.909 59.018 0.207 0.000 1.979 211 C CB -0.012 27.921 27.740 0.322 0.000 2.728 211 C HN 0.648 nan 8.230 nan 0.000 0.652 212 S N 0.895 116.817 115.700 0.369 0.000 2.661 212 S HA 0.214 4.684 4.470 0.000 0.000 0.275 212 S C 0.074 174.848 174.600 0.290 0.000 1.075 212 S CA 0.395 58.834 58.200 0.397 0.000 1.251 212 S CB -0.117 63.220 63.200 0.228 0.000 1.167 212 S HN 1.123 nan 8.310 nan 0.000 0.648 213 T N -1.691 113.020 114.554 0.263 0.000 2.901 213 T HA 0.840 5.190 4.350 0.000 0.000 0.293 213 T C 1.205 175.999 174.700 0.157 0.000 1.084 213 T CA -0.157 62.039 62.100 0.159 0.000 1.008 213 T CB 1.393 70.341 68.868 0.133 0.000 1.170 213 T HN 0.274 nan 8.240 nan 0.000 0.509 214 A N 0.707 123.598 122.820 0.118 0.000 1.908 214 A HA -0.114 4.206 4.320 0.000 0.000 0.218 214 A C 2.296 179.912 177.584 0.053 0.000 1.181 214 A CA 2.336 54.448 52.037 0.124 0.000 0.627 214 A CB -1.311 17.860 19.000 0.286 0.000 0.818 214 A HN 0.909 nan 8.150 nan 0.000 0.445 215 Q N 0.173 120.084 119.800 0.185 0.000 2.096 215 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 215 Q C 1.798 177.857 176.000 0.097 0.000 0.982 215 Q CA 2.358 58.257 55.803 0.159 0.000 0.850 215 Q CB -0.394 28.477 28.738 0.222 0.000 0.901 215 Q HN 0.773 nan 8.270 nan 0.000 0.422 216 E N -0.608 119.669 120.200 0.127 0.000 2.106 216 E HA -0.166 4.184 4.350 0.000 0.000 0.192 216 E C 2.067 178.807 176.600 0.234 0.000 0.984 216 E CA 1.246 57.730 56.400 0.141 0.000 0.806 216 E CB -0.167 29.663 29.700 0.216 0.000 0.750 216 E HN 0.452 nan 8.360 nan 0.000 0.458 217 M N 0.086 119.828 119.600 0.237 0.000 2.080 217 M HA -0.173 4.307 4.480 0.000 0.000 0.260 217 M C 2.242 178.619 176.300 0.129 0.000 1.068 217 M CA 1.353 56.798 55.300 0.241 0.000 1.109 217 M CB -0.315 32.233 32.600 -0.087 0.000 1.342 217 M HN 0.117 nan 8.290 nan 0.000 0.405 218 F N 1.329 121.103 119.950 -0.292 0.000 2.126 218 F HA -0.275 4.252 4.527 0.000 0.000 0.299 218 F C 2.266 177.964 175.800 -0.169 0.000 1.096 218 F CA 1.868 59.620 58.000 -0.413 0.000 1.255 218 F CB -0.483 37.966 39.000 -0.918 0.000 0.997 218 F HN 0.173 nan 8.300 nan 0.000 0.479 219 Q N -1.009 118.641 119.800 -0.250 0.000 2.046 219 Q HA -0.213 4.127 4.340 0.000 0.000 0.200 219 Q C 2.295 178.126 176.000 -0.281 0.000 0.975 219 Q CA 1.733 57.337 55.803 -0.331 0.000 0.836 219 Q CB -0.495 28.100 28.738 -0.237 0.000 0.896 219 Q HN 0.487 nan 8.270 nan 0.000 0.428 220 H N 0.354 119.369 119.070 -0.091 0.000 2.319 220 H HA -0.136 4.420 4.556 0.000 0.000 0.299 220 H C 2.179 177.454 175.328 -0.088 0.000 1.092 220 H CA 1.479 57.477 56.048 -0.084 0.000 1.302 220 H CB -0.219 29.573 29.762 0.049 0.000 1.373 220 H HN 0.265 nan 8.280 nan 0.000 0.497 221 I N -0.067 120.572 120.570 0.116 0.000 2.208 221 I HA -0.301 3.869 4.170 0.000 0.000 0.245 221 I C 2.731 178.783 176.117 -0.108 0.000 1.097 221 I CA 0.856 62.173 61.300 0.029 0.000 1.363 221 I CB -0.270 37.738 38.000 0.014 0.000 1.051 221 I HN 0.238 nan 8.210 nan 0.000 0.413 222 C N 0.204 119.334 119.300 -0.284 0.000 2.429 222 C HA -0.138 4.322 4.460 0.000 0.000 0.277 222 C C 2.978 177.866 174.990 -0.170 0.000 1.262 222 C CA 0.623 59.463 59.018 -0.295 0.000 1.733 222 C CB -1.112 26.332 27.740 -0.494 0.000 2.010 222 C HN 0.454 nan 8.230 nan 0.000 0.483 223 R N 0.172 120.552 120.500 -0.200 0.000 2.081 223 R HA -0.172 4.168 4.340 0.000 0.000 0.235 223 R C 2.101 178.288 176.300 -0.188 0.000 1.131 223 R CA 2.038 58.004 56.100 -0.225 0.000 0.960 223 R CB -0.789 29.300 30.300 -0.352 0.000 0.856 223 R HN 0.779 nan 8.270 nan 0.000 0.436 224 H N -0.013 118.886 119.070 -0.285 0.000 2.270 224 H HA -0.087 4.469 4.556 0.000 0.000 0.299 224 H C 2.276 177.648 175.328 0.072 0.000 1.077 224 H CA 2.226 58.213 56.048 -0.102 0.000 1.294 224 H CB -0.119 29.638 29.762 -0.007 0.000 1.371 224 H HN 0.159 nan 8.280 nan 0.000 0.491 225 I N 0.153 120.852 120.570 0.216 0.000 2.194 225 I HA -0.284 3.886 4.170 0.000 0.000 0.246 225 I C 2.486 178.678 176.117 0.125 0.000 1.093 225 I CA 1.023 62.401 61.300 0.130 0.000 1.355 225 I CB -0.215 37.787 38.000 0.003 0.000 1.046 225 I HN 0.346 nan 8.210 nan 0.000 0.413 226 L N 0.125 121.396 121.223 0.079 0.000 2.027 226 L HA -0.258 4.082 4.340 0.000 0.000 0.206 226 L C 2.523 179.450 176.870 0.096 0.000 1.074 226 L CA 1.830 56.705 54.840 0.058 0.000 0.745 226 L CB -0.916 41.154 42.059 0.018 0.000 0.898 226 L HN 0.263 nan 8.230 nan 0.000 0.433 227 Y N 0.192 120.523 120.300 0.052 0.000 2.128 227 Y HA -0.245 4.305 4.550 0.000 0.000 0.284 227 Y C 2.312 178.295 175.900 0.139 0.000 1.154 227 Y CA 2.080 60.247 58.100 0.112 0.000 1.149 227 Y CB -0.576 38.015 38.460 0.219 0.000 0.976 227 Y HN 0.242 nan 8.280 nan 0.000 0.505 228 A N -0.666 122.270 122.820 0.193 0.000 1.898 228 A HA -0.138 4.182 4.320 0.000 0.000 0.216 228 A C 2.214 179.824 177.584 0.043 0.000 1.181 228 A CA 2.099 54.217 52.037 0.134 0.000 0.620 228 A CB -1.305 17.916 19.000 0.367 0.000 0.819 228 A HN 0.517 nan 8.150 nan 0.000 0.442 229 T N 0.005 114.598 114.554 0.065 0.000 2.746 229 T HA -0.131 4.219 4.350 0.000 0.000 0.267 229 T C 1.107 175.806 174.700 -0.000 0.000 1.039 229 T CA 1.310 63.442 62.100 0.055 0.000 1.142 229 T CB -0.453 68.449 68.868 0.056 0.000 0.866 229 T HN 0.632 nan 8.240 nan 0.000 0.444 230 N N 1.597 120.265 118.700 -0.053 0.000 2.707 230 N HA -0.256 4.484 4.740 0.000 0.000 0.253 230 N C -0.044 175.441 175.510 -0.041 0.000 0.998 230 N CA 0.930 53.930 53.050 -0.082 0.000 0.751 230 N CB -1.898 36.495 38.487 -0.157 0.000 0.920 230 N HN 0.446 nan 8.380 nan 0.000 0.539 231 N N -1.188 117.501 118.700 -0.019 0.000 2.721 231 N HA -0.217 4.523 4.740 0.000 0.000 0.249 231 N C 1.031 176.533 175.510 -0.014 0.000 1.072 231 N CA 2.488 55.530 53.050 -0.014 0.000 0.710 231 N CB -1.225 37.251 38.487 -0.019 0.000 0.993 231 N HN 1.228 nan 8.380 nan 0.000 0.547 232 G N -0.980 107.820 108.800 0.000 0.000 2.279 232 G HA2 -0.341 3.619 3.960 0.000 0.000 0.223 232 G HA3 -0.341 3.619 3.960 0.000 0.000 0.223 232 G C 0.092 174.993 174.900 0.001 0.000 1.015 232 G CA 0.205 45.310 45.100 0.009 0.000 0.621 232 G HN 0.727 nan 8.290 nan 0.000 0.506 233 N N 2.208 120.891 118.700 -0.028 0.000 2.968 233 N HA 0.332 5.072 4.740 0.000 0.000 0.271 233 N C 0.897 176.382 175.510 -0.043 0.000 1.174 233 N CA -0.543 52.473 53.050 -0.057 0.000 1.096 233 N CB -0.450 37.997 38.487 -0.066 0.000 1.403 233 N HN 0.360 nan 8.380 nan 0.000 0.522 234 I N 1.556 122.130 120.570 0.007 0.000 2.880 234 I HA -0.077 4.093 4.170 0.000 0.000 0.296 234 I C 0.833 177.048 176.117 0.164 0.000 1.220 234 I CA 0.751 62.117 61.300 0.109 0.000 1.435 234 I CB -0.218 37.936 38.000 0.257 0.000 1.339 234 I HN 0.326 nan 8.210 nan 0.000 0.583 235 R N 3.502 124.091 120.500 0.148 0.000 2.621 235 R HA 0.417 4.757 4.340 0.000 0.000 0.292 235 R C -0.556 175.887 176.300 0.239 0.000 0.969 235 R CA -0.686 55.521 56.100 0.178 0.000 0.887 235 R CB 2.050 32.299 30.300 -0.085 0.000 1.180 235 R HN 0.557 nan 8.270 nan 0.000 0.450 236 S N 1.265 117.102 115.700 0.228 0.000 2.548 236 S HA 0.598 5.068 4.470 0.000 0.000 0.277 236 S C -0.424 174.222 174.600 0.078 0.000 1.315 236 S CA -0.298 57.940 58.200 0.063 0.000 1.050 236 S CB 1.373 64.515 63.200 -0.097 0.000 0.918 236 S HN 0.692 nan 8.310 nan 0.000 0.497 237 A N 2.630 125.467 122.820 0.027 0.000 2.610 237 A HA 0.846 5.166 4.320 0.000 0.000 0.291 237 A C -1.418 176.131 177.584 -0.059 0.000 1.086 237 A CA -0.655 51.316 52.037 -0.111 0.000 0.677 237 A CB 1.137 20.036 19.000 -0.168 0.000 1.278 237 A HN 0.796 nan 8.150 nan 0.000 0.414 238 I N 0.094 120.571 120.570 -0.155 0.000 2.752 238 I HA 0.625 4.795 4.170 0.000 0.000 0.295 238 I C -1.267 174.865 176.117 0.026 0.000 1.219 238 I CA -0.104 61.243 61.300 0.078 0.000 1.030 238 I CB 2.440 40.453 38.000 0.022 0.000 1.259 238 I HN 0.604 nan 8.210 nan 0.000 0.423 239 T N 6.199 120.856 114.554 0.171 0.000 2.786 239 T HA 0.479 4.829 4.350 0.000 0.000 0.283 239 T C -0.804 173.762 174.700 -0.224 0.000 0.992 239 T CA -0.370 61.718 62.100 -0.020 0.000 0.954 239 T CB 1.486 70.387 68.868 0.054 0.000 0.934 239 T HN 0.259 nan 8.240 nan 0.000 0.440 240 V N 5.017 124.712 119.914 -0.364 0.000 2.347 240 V HA 0.517 4.637 4.120 0.000 0.000 0.280 240 V C -0.414 175.409 176.094 -0.451 0.000 1.021 240 V CA -0.797 61.310 62.300 -0.322 0.000 0.847 240 V CB 0.230 31.832 31.823 -0.368 0.000 0.990 240 V HN 0.738 nan 8.190 nan 0.000 0.444 241 F N 4.578 124.478 119.950 -0.084 0.000 2.364 241 F HA 0.522 5.049 4.527 0.000 0.000 0.316 241 F C -1.879 173.806 175.800 -0.190 0.000 1.133 241 F CA -2.536 55.323 58.000 -0.235 0.000 1.051 241 F CB 0.353 39.192 39.000 -0.268 0.000 1.342 241 F HN 0.287 nan 8.300 nan 0.000 0.507 242 P HA -0.045 nan 4.420 nan 0.000 0.261 242 P C -1.138 176.133 177.300 -0.049 0.000 1.173 242 P CA 0.047 63.005 63.100 -0.238 0.000 0.760 242 P CB 0.152 31.545 31.700 -0.511 0.000 0.783 243 Q N 3.360 123.073 119.800 -0.144 0.000 2.421 243 Q HA 0.095 4.435 4.340 0.000 0.000 0.255 243 Q C 0.177 176.062 176.000 -0.191 0.000 1.013 243 Q CA -0.600 54.904 55.803 -0.497 0.000 0.895 243 Q CB 0.733 28.895 28.738 -0.961 0.000 1.271 243 Q HN 0.340 nan 8.270 nan 0.000 0.460 244 R N 1.581 121.981 120.500 -0.166 0.000 2.484 244 R HA -0.024 4.316 4.340 0.000 0.000 0.293 244 R C 0.261 176.536 176.300 -0.042 0.000 1.023 244 R CA 0.762 56.844 56.100 -0.031 0.000 1.037 244 R CB 0.517 30.796 30.300 -0.036 0.000 0.951 244 R HN 0.950 nan 8.270 nan 0.000 0.418 245 S N 2.667 118.391 115.700 0.041 0.000 2.357 245 S HA -0.075 4.395 4.470 0.000 0.000 0.209 245 S C 0.734 175.360 174.600 0.044 0.000 1.023 245 S CA 0.598 58.826 58.200 0.047 0.000 0.933 245 S CB -0.020 63.246 63.200 0.110 0.000 0.897 245 S HN 0.851 nan 8.310 nan 0.000 0.529 246 D N -0.665 119.776 120.400 0.068 0.000 2.469 246 D HA 0.412 5.052 4.640 0.000 0.000 0.215 246 D C 1.216 177.499 176.300 -0.028 0.000 1.154 246 D CA 0.324 54.338 54.000 0.024 0.000 0.832 246 D CB 0.017 40.843 40.800 0.044 0.000 1.008 246 D HN 0.681 nan 8.370 nan 0.000 0.506 247 G N 0.854 109.639 108.800 -0.026 0.000 2.184 247 G HA2 -0.399 3.562 3.960 0.000 0.000 0.264 247 G HA3 -0.399 3.562 3.960 0.000 0.000 0.264 247 G C 1.043 175.880 174.900 -0.107 0.000 0.975 247 G CA 0.592 45.662 45.100 -0.049 0.000 0.642 247 G HN 0.439 nan 8.290 nan 0.000 0.536 248 K N -0.200 120.066 120.400 -0.223 0.000 2.353 248 K HA 0.169 4.489 4.320 0.000 0.000 0.195 248 K C 0.319 176.552 176.600 -0.611 0.000 1.031 248 K CA 0.129 56.166 56.287 -0.416 0.000 1.079 248 K CB 0.301 32.483 32.500 -0.529 0.000 0.857 248 K HN 0.534 nan 8.250 nan 0.000 0.535 249 H N 0.857 119.933 119.070 0.011 0.000 2.624 249 H HA 0.216 4.772 4.556 0.000 0.000 0.233 249 H C -0.938 174.404 175.328 0.024 0.000 1.376 249 H CA -0.656 55.391 56.048 -0.001 0.000 1.137 249 H CB 0.157 29.937 29.762 0.030 0.000 1.867 249 H HN 0.004 nan 8.280 nan 0.000 0.547 250 D N 0.644 121.084 120.400 0.067 0.000 2.345 250 D HA 0.118 4.758 4.640 0.000 0.000 0.247 250 D C 0.127 176.462 176.300 0.059 0.000 1.108 250 D CA 0.085 54.157 54.000 0.119 0.000 0.894 250 D CB 0.954 41.800 40.800 0.077 0.000 1.203 250 D HN 0.056 nan 8.370 nan 0.000 0.430 251 F N 2.198 122.183 119.950 0.058 0.000 2.410 251 F HA 0.380 4.907 4.527 0.000 0.000 0.349 251 F C 0.917 176.727 175.800 0.016 0.000 1.117 251 F CA -0.307 57.701 58.000 0.013 0.000 1.104 251 F CB 0.848 39.849 39.000 0.002 0.000 1.122 251 F HN -0.156 nan 8.300 nan 0.000 0.483 252 R N 3.496 124.077 120.500 0.135 0.000 2.651 252 R HA 0.520 4.860 4.340 0.000 0.000 0.278 252 R C -1.796 174.627 176.300 0.204 0.000 1.010 252 R CA -1.131 55.062 56.100 0.154 0.000 0.896 252 R CB 2.296 32.687 30.300 0.151 0.000 1.211 252 R HN 0.477 nan 8.270 nan 0.000 0.456 253 L N 1.700 123.020 121.223 0.161 0.000 2.272 253 L HA 0.371 4.711 4.340 0.000 0.000 0.289 253 L C 0.595 177.642 176.870 0.295 0.000 1.032 253 L CA -0.125 54.825 54.840 0.185 0.000 0.810 253 L CB 0.886 42.976 42.059 0.051 0.000 1.205 253 L HN 0.585 nan 8.230 nan 0.000 0.422 254 W N 0.678 122.018 121.300 0.065 0.000 2.800 254 W HA 0.054 4.714 4.660 0.000 0.000 0.249 254 W C 0.632 177.162 176.519 0.018 0.000 1.294 254 W CA -0.456 57.006 57.345 0.196 0.000 1.402 254 W CB -0.904 28.814 29.460 0.432 0.000 1.126 254 W HN 0.489 nan 8.180 nan 0.000 0.652 255 N N -0.668 118.042 118.700 0.017 0.000 2.424 255 N HA 0.065 4.805 4.740 0.000 0.000 0.257 255 N C 1.138 176.427 175.510 -0.368 0.000 1.250 255 N CA 0.342 53.096 53.050 -0.493 0.000 0.946 255 N CB 0.618 38.969 38.487 -0.226 0.000 1.175 255 N HN -0.313 nan 8.380 nan 0.000 0.477 256 S N -0.165 115.278 115.700 -0.427 0.000 2.348 256 S HA -0.007 4.463 4.470 0.000 0.000 0.219 256 S C 0.164 174.642 174.600 -0.203 0.000 1.033 256 S CA 0.958 59.013 58.200 -0.242 0.000 0.974 256 S CB -0.040 63.055 63.200 -0.174 0.000 0.868 256 S HN 0.569 nan 8.310 nan 0.000 0.459 257 Q N -0.616 119.059 119.800 -0.208 0.000 2.433 257 Q HA 0.477 4.817 4.340 0.000 0.000 0.279 257 Q C 0.466 176.330 176.000 -0.227 0.000 1.105 257 Q CA -0.488 55.194 55.803 -0.202 0.000 0.815 257 Q CB 1.597 30.261 28.738 -0.125 0.000 1.403 257 Q HN 0.063 nan 8.270 nan 0.000 0.435 258 L N 0.370 121.453 121.223 -0.233 0.000 1.989 258 L HA -0.085 4.255 4.340 0.000 0.000 0.211 258 L C 0.614 177.337 176.870 -0.246 0.000 1.071 258 L CA 1.468 56.182 54.840 -0.211 0.000 0.749 258 L CB -0.119 41.806 42.059 -0.224 0.000 0.890 258 L HN 0.541 nan 8.230 nan 0.000 0.431 259 I N -0.311 120.040 120.570 -0.365 0.000 2.354 259 I HA 0.307 4.477 4.170 0.000 0.000 0.286 259 I C -0.204 175.281 176.117 -1.053 0.000 1.007 259 I CA -0.384 60.545 61.300 -0.618 0.000 1.167 259 I CB 1.538 39.161 38.000 -0.629 0.000 1.320 259 I HN 0.039 nan 8.210 nan 0.000 0.458 260 R N 4.732 124.771 120.500 -0.768 0.000 2.771 260 R HA 0.545 4.886 4.340 0.000 0.000 0.274 260 R C -1.716 174.342 176.300 -0.404 0.000 0.987 260 R CA -0.652 55.097 56.100 -0.585 0.000 0.908 260 R CB 1.386 31.552 30.300 -0.222 0.000 1.213 260 R HN 0.235 nan 8.270 nan 0.000 0.468 261 Y N 0.838 121.106 120.300 -0.053 0.000 2.335 261 Y HA 0.617 5.168 4.550 0.000 0.000 0.323 261 Y C 0.657 176.563 175.900 0.011 0.000 1.224 261 Y CA -0.604 57.520 58.100 0.039 0.000 1.241 261 Y CB 1.547 40.136 38.460 0.215 0.000 1.235 261 Y HN 0.736 nan 8.280 nan 0.000 0.492 262 A N 1.079 123.977 122.820 0.129 0.000 2.351 262 A HA 0.646 4.966 4.320 0.000 0.000 0.257 262 A C 0.373 177.752 177.584 -0.343 0.000 1.087 262 A CA 0.165 52.093 52.037 -0.181 0.000 0.798 262 A CB -0.128 18.700 19.000 -0.287 0.000 1.033 262 A HN 0.906 nan 8.150 nan 0.000 0.488 263 G N 0.299 108.831 108.800 -0.447 0.000 2.644 263 G HA2 0.572 4.532 3.960 0.000 0.000 0.300 263 G HA3 0.572 4.532 3.960 0.000 0.000 0.300 263 G C -1.139 173.544 174.900 -0.362 0.000 1.395 263 G CA -0.258 44.642 45.100 -0.332 0.000 0.964 263 G HN 0.538 nan 8.290 nan 0.000 0.511 264 Y N 0.442 120.771 120.300 0.049 0.000 2.446 264 Y HA 0.513 5.063 4.550 0.000 0.000 0.338 264 Y C 0.394 176.346 175.900 0.086 0.000 1.055 264 Y CA -1.147 57.002 58.100 0.082 0.000 1.101 264 Y CB 2.463 41.010 38.460 0.145 0.000 1.221 264 Y HN 0.449 nan 8.280 nan 0.000 0.460 265 Q N 3.005 122.964 119.800 0.264 0.000 2.406 265 Q HA 0.297 4.637 4.340 0.000 0.000 0.242 265 Q C -0.913 175.182 176.000 0.160 0.000 1.036 265 Q CA -0.381 55.517 55.803 0.158 0.000 0.904 265 Q CB 0.309 29.115 28.738 0.112 0.000 1.244 265 Q HN 0.514 nan 8.270 nan 0.000 0.478 266 M N 4.494 124.166 119.600 0.121 0.000 2.167 266 M HA 0.165 4.645 4.480 0.000 0.000 0.300 266 M C -1.435 174.869 176.300 0.007 0.000 1.171 266 M CA -2.153 53.179 55.300 0.052 0.000 1.171 266 M CB -0.622 31.997 32.600 0.031 0.000 1.396 266 M HN 0.412 nan 8.290 nan 0.000 0.466 267 P HA -0.145 nan 4.420 nan 0.000 0.214 267 P C 0.216 177.502 177.300 -0.023 0.000 1.163 267 P CA 1.295 64.369 63.100 -0.043 0.000 0.883 267 P CB -0.120 31.534 31.700 -0.077 0.000 0.788 268 D N -0.876 119.510 120.400 -0.023 0.000 2.644 268 D HA 0.016 4.656 4.640 0.000 0.000 0.252 268 D C 1.317 177.617 176.300 -0.001 0.000 1.254 268 D CA 0.714 54.706 54.000 -0.013 0.000 0.884 268 D CB -1.225 39.566 40.800 -0.016 0.000 1.034 268 D HN 0.282 nan 8.370 nan 0.000 0.473 269 G N 0.921 109.724 108.800 0.005 0.000 2.343 269 G HA2 -0.390 3.570 3.960 0.000 0.000 0.264 269 G HA3 -0.390 3.570 3.960 0.000 0.000 0.264 269 G C 0.729 175.641 174.900 0.020 0.000 0.989 269 G CA 1.203 46.311 45.100 0.014 0.000 0.627 269 G HN 0.762 nan 8.290 nan 0.000 0.549 270 T N -0.500 114.066 114.554 0.019 0.000 2.766 270 T HA 0.620 4.970 4.350 0.000 0.000 0.295 270 T C 0.373 175.094 174.700 0.036 0.000 1.024 270 T CA -0.309 61.805 62.100 0.022 0.000 1.018 270 T CB 1.647 70.525 68.868 0.017 0.000 1.002 270 T HN 0.392 nan 8.240 nan 0.000 0.532 271 I N 1.184 121.772 120.570 0.030 0.000 2.404 271 I HA 0.478 4.648 4.170 0.000 0.000 0.293 271 I C 0.313 176.445 176.117 0.025 0.000 0.992 271 I CA -0.759 60.562 61.300 0.035 0.000 1.149 271 I CB 1.609 39.612 38.000 0.006 0.000 1.315 271 I HN 0.814 nan 8.210 nan 0.000 0.446 272 R N 3.444 123.989 120.500 0.076 0.000 2.562 272 R HA 0.663 5.003 4.340 0.000 0.000 0.298 272 R C 0.284 176.594 176.300 0.018 0.000 0.961 272 R CA 0.278 56.421 56.100 0.072 0.000 0.881 272 R CB 1.671 32.078 30.300 0.178 0.000 1.159 272 R HN 0.909 nan 8.270 nan 0.000 0.450 273 G N 2.673 111.397 108.800 -0.127 0.000 2.542 273 G HA2 -0.271 3.689 3.960 0.000 0.000 0.235 273 G HA3 -0.271 3.689 3.960 0.000 0.000 0.235 273 G C -1.013 173.555 174.900 -0.554 0.000 1.286 273 G CA 0.017 44.981 45.100 -0.226 0.000 0.904 273 G HN 0.671 nan 8.290 nan 0.000 0.577 274 D N 1.896 122.135 120.400 -0.269 0.000 2.435 274 D HA 0.527 5.167 4.640 0.000 0.000 0.230 274 D C 1.677 177.922 176.300 -0.092 0.000 1.215 274 D CA 0.911 54.805 54.000 -0.176 0.000 0.947 274 D CB 0.448 41.444 40.800 0.326 0.000 1.048 274 D HN 0.941 nan 8.370 nan 0.000 0.512 275 A N 3.585 126.320 122.820 -0.142 0.000 2.093 275 A HA -0.199 4.121 4.320 0.000 0.000 0.222 275 A C 2.063 179.655 177.584 0.014 0.000 1.162 275 A CA 1.861 53.868 52.037 -0.050 0.000 0.655 275 A CB -0.205 18.770 19.000 -0.041 0.000 0.805 275 A HN 0.584 nan 8.150 nan 0.000 0.461 276 A N -0.699 122.154 122.820 0.056 0.000 2.119 276 A HA 0.061 4.381 4.320 0.000 0.000 0.217 276 A C 2.007 179.647 177.584 0.095 0.000 1.153 276 A CA 1.868 53.959 52.037 0.091 0.000 0.692 276 A CB -0.733 18.349 19.000 0.137 0.000 0.799 276 A HN 0.824 nan 8.150 nan 0.000 0.458 277 T N -3.205 111.400 114.554 0.085 0.000 3.134 277 T HA 0.369 4.720 4.350 0.000 0.000 0.260 277 T C 1.408 176.144 174.700 0.059 0.000 1.027 277 T CA -0.016 62.146 62.100 0.103 0.000 0.913 277 T CB -0.335 68.604 68.868 0.119 0.000 1.046 277 T HN 0.217 nan 8.240 nan 0.000 0.553 278 L N 0.963 122.199 121.223 0.023 0.000 1.978 278 L HA -0.195 4.145 4.340 0.000 0.000 0.218 278 L C 2.916 179.783 176.870 -0.006 0.000 1.075 278 L CA 2.417 57.257 54.840 -0.001 0.000 0.767 278 L CB -0.492 41.577 42.059 0.016 0.000 0.890 278 L HN 0.438 nan 8.230 nan 0.000 0.434 279 E N -0.313 119.891 120.200 0.007 0.000 2.031 279 E HA -0.294 4.056 4.350 0.000 0.000 0.193 279 E C 2.156 178.677 176.600 -0.132 0.000 0.994 279 E CA 1.581 57.951 56.400 -0.051 0.000 0.800 279 E CB -0.215 29.472 29.700 -0.023 0.000 0.752 279 E HN 0.360 nan 8.360 nan 0.000 0.447 280 F N 1.310 121.123 119.950 -0.228 0.000 2.216 280 F HA -0.152 4.375 4.527 0.000 0.000 0.300 280 F C 2.189 177.877 175.800 -0.186 0.000 1.085 280 F CA 1.765 59.597 58.000 -0.281 0.000 1.326 280 F CB -0.463 38.449 39.000 -0.147 0.000 1.027 280 F HN -0.004 nan 8.300 nan 0.000 0.497 281 T N -0.258 114.190 114.554 -0.177 0.000 2.701 281 T HA -0.243 4.107 4.350 0.000 0.000 0.263 281 T C 1.759 176.365 174.700 -0.156 0.000 1.040 281 T CA 1.605 63.575 62.100 -0.218 0.000 1.147 281 T CB -0.358 68.427 68.868 -0.139 0.000 0.865 281 T HN 0.224 nan 8.240 nan 0.000 0.426 282 Q N 0.816 120.552 119.800 -0.107 0.000 2.077 282 Q HA -0.104 4.236 4.340 0.000 0.000 0.206 282 Q C 2.121 178.040 176.000 -0.136 0.000 0.989 282 Q CA 1.343 57.106 55.803 -0.068 0.000 0.853 282 Q CB -0.832 27.872 28.738 -0.058 0.000 0.907 282 Q HN 0.421 nan 8.270 nan 0.000 0.418 283 L N -0.423 120.643 121.223 -0.261 0.000 2.079 283 L HA -0.182 4.158 4.340 0.000 0.000 0.210 283 L C 2.108 178.813 176.870 -0.275 0.000 1.081 283 L CA 1.843 56.513 54.840 -0.284 0.000 0.752 283 L CB -0.924 40.886 42.059 -0.415 0.000 0.896 283 L HN 0.404 nan 8.230 nan 0.000 0.433 284 C N -0.640 118.413 119.300 -0.412 0.000 2.435 284 C HA -0.075 4.385 4.460 0.000 0.000 0.279 284 C C 2.689 177.690 174.990 0.018 0.000 1.321 284 C CA 0.702 59.539 59.018 -0.301 0.000 1.752 284 C CB -0.878 26.550 27.740 -0.521 0.000 1.959 284 C HN 0.585 nan 8.230 nan 0.000 0.500 285 I N 0.895 121.505 120.570 0.066 0.000 2.286 285 I HA -0.142 4.028 4.170 0.000 0.000 0.245 285 I C 1.833 177.951 176.117 0.002 0.000 1.104 285 I CA 1.381 62.735 61.300 0.090 0.000 1.397 285 I CB -0.646 37.398 38.000 0.074 0.000 1.072 285 I HN 0.290 nan 8.210 nan 0.000 0.417 286 D N 1.018 121.393 120.400 -0.042 0.000 2.384 286 D HA -0.057 4.583 4.640 0.000 0.000 0.222 286 D C 1.676 177.931 176.300 -0.075 0.000 0.976 286 D CA 1.033 54.992 54.000 -0.068 0.000 0.915 286 D CB 0.130 40.874 40.800 -0.093 0.000 0.896 286 D HN 0.392 nan 8.370 nan 0.000 0.523 287 L N -1.014 120.177 121.223 -0.054 0.000 2.857 287 L HA 0.274 4.614 4.340 0.000 0.000 0.249 287 L C 1.254 178.101 176.870 -0.037 0.000 1.172 287 L CA 0.021 54.829 54.840 -0.052 0.000 0.980 287 L CB 0.582 42.603 42.059 -0.063 0.000 1.299 287 L HN 0.025 nan 8.230 nan 0.000 0.535 288 G N -0.590 108.199 108.800 -0.017 0.000 2.159 288 G HA2 -0.298 3.662 3.960 0.000 0.000 0.227 288 G HA3 -0.298 3.662 3.960 0.000 0.000 0.227 288 G C -0.253 174.662 174.900 0.025 0.000 0.986 288 G CA -0.323 44.766 45.100 -0.019 0.000 0.651 288 G HN 0.326 nan 8.290 nan 0.000 0.523 289 W N 2.727 123.956 121.300 -0.119 0.000 2.238 289 W HA 0.670 5.330 4.660 0.000 0.000 0.321 289 W C 0.084 176.553 176.519 -0.084 0.000 1.293 289 W CA -0.990 56.292 57.345 -0.106 0.000 1.204 289 W CB 0.753 30.142 29.460 -0.118 0.000 1.167 289 W HN -0.082 nan 8.180 nan 0.000 0.553 290 K N 8.363 128.277 120.400 -0.810 0.000 2.284 290 K HA 0.218 4.538 4.320 0.000 0.000 0.287 290 K C -2.333 173.476 176.600 -1.319 0.000 1.081 290 K CA -2.054 53.766 56.287 -0.779 0.000 0.910 290 K CB 0.263 32.482 32.500 -0.469 0.000 1.088 290 K HN 0.346 nan 8.250 nan 0.000 0.478 291 P HA 0.205 nan 4.420 nan 0.000 0.271 291 P C -0.155 176.668 177.300 -0.794 0.000 1.226 291 P CA -0.189 62.269 63.100 -1.071 0.000 0.765 291 P CB 0.744 31.870 31.700 -0.956 0.000 0.835 292 R N 2.055 122.218 120.500 -0.561 0.000 2.317 292 R HA 0.086 4.426 4.340 0.000 0.000 0.208 292 R C 0.048 176.219 176.300 -0.214 0.000 0.914 292 R CA -0.188 55.765 56.100 -0.246 0.000 1.060 292 R CB -0.551 29.717 30.300 -0.053 0.000 1.015 292 R HN 0.425 nan 8.270 nan 0.000 0.498 293 Y N -0.605 119.271 120.300 -0.707 0.000 3.396 293 Y HA -0.286 4.264 4.550 0.000 0.000 0.214 293 Y C 0.995 176.748 175.900 -0.245 0.000 1.203 293 Y CA 0.603 58.135 58.100 -0.947 0.000 1.401 293 Y CB -1.935 36.172 38.460 -0.587 0.000 1.409 293 Y HN 0.246 nan 8.280 nan 0.000 0.594 294 G N -0.336 108.572 108.800 0.179 0.000 2.537 294 G HA2 0.428 4.388 3.960 0.000 0.000 0.297 294 G HA3 0.428 4.388 3.960 0.000 0.000 0.297 294 G C 0.712 175.741 174.900 0.216 0.000 1.310 294 G CA -0.319 44.901 45.100 0.201 0.000 1.027 294 G HN 0.335 nan 8.290 nan 0.000 0.505 295 R N -1.582 118.923 120.500 0.008 0.000 2.223 295 R HA 0.192 4.533 4.340 0.000 0.000 0.198 295 R C -0.063 175.864 176.300 -0.621 0.000 0.984 295 R CA 0.404 56.333 56.100 -0.285 0.000 1.018 295 R CB 0.062 30.088 30.300 -0.457 0.000 0.945 295 R HN 0.354 nan 8.270 nan 0.000 0.479 296 F N 1.164 121.090 119.950 -0.040 0.000 2.623 296 F HA 0.308 4.835 4.527 0.000 0.000 0.361 296 F C -1.104 174.655 175.800 -0.068 0.000 1.469 296 F CA -1.250 56.473 58.000 -0.463 0.000 1.126 296 F CB 0.778 39.362 39.000 -0.693 0.000 1.221 296 F HN -0.253 nan 8.300 nan 0.000 0.536 297 D N 1.493 122.075 120.400 0.303 0.000 2.280 297 D HA 0.212 4.852 4.640 0.000 0.000 0.243 297 D C 0.212 176.773 176.300 0.436 0.000 1.129 297 D CA -0.034 54.208 54.000 0.404 0.000 0.848 297 D CB 2.479 43.579 40.800 0.501 0.000 1.107 297 D HN -0.066 nan 8.370 nan 0.000 0.471 298 V N 3.773 123.910 119.914 0.371 0.000 2.485 298 V HA -0.010 4.110 4.120 0.000 0.000 0.287 298 V C 1.073 177.190 176.094 0.038 0.000 1.022 298 V CA -0.241 62.159 62.300 0.167 0.000 1.067 298 V CB 0.052 31.927 31.823 0.086 0.000 0.967 298 V HN 0.339 nan 8.190 nan 0.000 0.479 299 L N 8.253 129.394 121.223 -0.137 0.000 2.473 299 L HA 0.295 4.635 4.340 0.000 0.000 0.268 299 L C -1.716 174.939 176.870 -0.359 0.000 1.215 299 L CA -1.227 53.364 54.840 -0.417 0.000 0.823 299 L CB 0.513 42.428 42.059 -0.239 0.000 1.099 299 L HN 0.475 nan 8.230 nan 0.000 0.483 300 P HA 0.223 nan 4.420 nan 0.000 0.282 300 P C -1.064 176.188 177.300 -0.081 0.000 1.259 300 P CA -0.603 62.317 63.100 -0.300 0.000 0.826 300 P CB 1.099 32.509 31.700 -0.483 0.000 1.064 301 L N 1.447 122.707 121.223 0.062 0.000 2.367 301 L HA 0.209 4.549 4.340 0.000 0.000 0.275 301 L C 0.282 177.253 176.870 0.169 0.000 1.129 301 L CA -0.544 54.380 54.840 0.140 0.000 0.839 301 L CB 0.814 42.992 42.059 0.198 0.000 1.133 301 L HN 0.106 nan 8.230 nan 0.000 0.453 302 V N 6.066 126.090 119.914 0.183 0.000 2.257 302 V HA 0.306 4.426 4.120 0.000 0.000 0.269 302 V C 0.190 176.305 176.094 0.034 0.000 1.040 302 V CA -0.327 62.027 62.300 0.089 0.000 0.813 302 V CB 0.851 32.767 31.823 0.155 0.000 1.065 302 V HN 0.496 nan 8.190 nan 0.000 0.457 303 L N 4.122 125.376 121.223 0.052 0.000 2.325 303 L HA 0.626 4.966 4.340 0.000 0.000 0.279 303 L C 0.003 176.795 176.870 -0.131 0.000 1.054 303 L CA -0.318 54.517 54.840 -0.008 0.000 0.804 303 L CB 1.475 43.535 42.059 0.003 0.000 1.200 303 L HN 0.568 nan 8.230 nan 0.000 0.436 304 Q N 2.570 122.291 119.800 -0.131 0.000 2.327 304 Q HA 0.693 5.033 4.340 0.000 0.000 0.270 304 Q C -1.505 174.358 176.000 -0.228 0.000 1.022 304 Q CA -0.598 55.096 55.803 -0.181 0.000 0.773 304 Q CB 2.089 30.796 28.738 -0.052 0.000 1.251 304 Q HN 0.787 nan 8.270 nan 0.000 0.457 305 A N 3.569 126.194 122.820 -0.324 0.000 2.350 305 A HA 0.433 4.753 4.320 0.000 0.000 0.324 305 A C -0.263 176.857 177.584 -0.774 0.000 1.118 305 A CA -0.232 51.382 52.037 -0.704 0.000 0.783 305 A CB 1.100 19.900 19.000 -0.334 0.000 1.236 305 A HN 1.018 nan 8.150 nan 0.000 0.457 306 D N 1.141 120.673 120.400 -1.446 0.000 2.706 306 D HA -0.108 4.532 4.640 0.000 0.000 0.230 306 D C 1.268 177.475 176.300 -0.156 0.000 1.184 306 D CA 2.669 56.326 54.000 -0.572 0.000 0.628 306 D CB -1.070 39.581 40.800 -0.249 0.000 1.019 306 D HN 2.065 nan 8.370 nan 0.000 0.415 307 G N -0.592 108.113 108.800 -0.158 0.000 2.189 307 G HA2 -0.401 3.559 3.960 0.000 0.000 0.267 307 G HA3 -0.401 3.559 3.960 0.000 0.000 0.267 307 G C 0.390 175.303 174.900 0.022 0.000 0.975 307 G CA 0.772 45.861 45.100 -0.018 0.000 0.644 307 G HN 0.634 nan 8.290 nan 0.000 0.537 308 Q N 0.512 120.286 119.800 -0.044 0.000 2.317 308 Q HA 0.375 4.715 4.340 0.000 0.000 0.229 308 Q C -0.031 175.937 176.000 -0.055 0.000 0.984 308 Q CA -0.723 55.069 55.803 -0.019 0.000 0.911 308 Q CB 0.576 29.286 28.738 -0.046 0.000 1.217 308 Q HN 0.343 nan 8.270 nan 0.000 0.501 309 D N 2.666 123.041 120.400 -0.041 0.000 2.478 309 D HA 0.015 4.655 4.640 0.000 0.000 0.234 309 D C -2.083 173.998 176.300 -0.366 0.000 1.154 309 D CA -0.563 53.305 54.000 -0.220 0.000 0.874 309 D CB 0.074 40.874 40.800 0.001 0.000 1.198 309 D HN 0.271 nan 8.370 nan 0.000 0.455 310 P HA 0.095 nan 4.420 nan 0.000 0.271 310 P C -0.673 176.415 177.300 -0.354 0.000 1.218 310 P CA -0.050 62.649 63.100 -0.669 0.000 0.780 310 P CB 1.046 31.903 31.700 -1.404 0.000 0.901 311 E N 0.608 120.680 120.200 -0.214 0.000 2.238 311 E HA 0.391 4.741 4.350 0.000 0.000 0.267 311 E C -0.628 175.829 176.600 -0.238 0.000 0.887 311 E CA -1.216 55.055 56.400 -0.216 0.000 0.769 311 E CB 2.047 31.643 29.700 -0.174 0.000 1.187 311 E HN 0.155 nan 8.360 nan 0.000 0.416 312 V N 2.876 122.552 119.914 -0.397 0.000 2.607 312 V HA 0.383 4.503 4.120 0.000 0.000 0.289 312 V C -0.582 175.141 176.094 -0.619 0.000 1.053 312 V CA -0.143 61.972 62.300 -0.307 0.000 0.996 312 V CB 0.074 31.780 31.823 -0.195 0.000 0.995 312 V HN 0.522 nan 8.190 nan 0.000 0.476 313 F N 1.181 120.991 119.950 -0.233 0.000 2.588 313 F HA 0.400 4.927 4.527 0.000 0.000 0.318 313 F C 0.226 175.891 175.800 -0.225 0.000 1.155 313 F CA -0.654 57.094 58.000 -0.421 0.000 0.967 313 F CB 1.514 39.977 39.000 -0.894 0.000 1.236 313 F HN 0.426 nan 8.300 nan 0.000 0.455 314 E N 3.291 123.511 120.200 0.034 0.000 2.366 314 E HA 0.395 4.745 4.350 0.000 0.000 0.266 314 E C -0.499 176.254 176.600 0.255 0.000 1.051 314 E CA -0.452 56.037 56.400 0.149 0.000 0.884 314 E CB 1.551 31.362 29.700 0.185 0.000 1.006 314 E HN 0.452 nan 8.360 nan 0.000 0.417 315 I N 3.940 124.653 120.570 0.238 0.000 2.395 315 I HA 0.143 4.313 4.170 0.000 0.000 0.289 315 I C -2.089 174.150 176.117 0.203 0.000 1.023 315 I CA -2.180 59.276 61.300 0.261 0.000 1.350 315 I CB 0.716 38.795 38.000 0.131 0.000 1.409 315 I HN 0.164 nan 8.210 nan 0.000 0.507 316 P HA 0.090 nan 4.420 nan 0.000 0.265 316 P C -2.043 175.315 177.300 0.096 0.000 1.222 316 P CA -0.912 62.273 63.100 0.141 0.000 0.767 316 P CB 0.179 31.948 31.700 0.115 0.000 0.801 317 P HA -0.243 nan 4.420 nan 0.000 0.218 317 P C 0.927 178.264 177.300 0.061 0.000 1.150 317 P CA 1.422 64.572 63.100 0.083 0.000 0.841 317 P CB -0.001 31.751 31.700 0.087 0.000 0.784 318 D N -0.999 119.433 120.400 0.054 0.000 2.182 318 D HA -0.114 4.527 4.640 0.000 0.000 0.201 318 D C 1.890 178.208 176.300 0.031 0.000 0.986 318 D CA 1.019 55.042 54.000 0.039 0.000 0.847 318 D CB -0.403 40.417 40.800 0.033 0.000 0.942 318 D HN 0.253 nan 8.370 nan 0.000 0.467 319 L N 0.497 121.739 121.223 0.031 0.000 2.313 319 L HA -0.024 4.316 4.340 0.000 0.000 0.214 319 L C 0.675 177.560 176.870 0.025 0.000 1.119 319 L CA 0.252 55.104 54.840 0.020 0.000 0.809 319 L CB 0.204 42.266 42.059 0.004 0.000 0.933 319 L HN -0.196 nan 8.230 nan 0.000 0.449 320 V N 2.211 122.144 119.914 0.033 0.000 2.356 320 V HA 0.100 4.220 4.120 0.000 0.000 0.258 320 V C 0.076 176.199 176.094 0.048 0.000 1.065 320 V CA -0.423 61.897 62.300 0.034 0.000 0.935 320 V CB 0.960 32.801 31.823 0.030 0.000 1.061 320 V HN 0.044 nan 8.190 nan 0.000 0.484 321 L N 6.109 127.364 121.223 0.053 0.000 2.331 321 L HA 0.510 4.850 4.340 0.000 0.000 0.278 321 L C 0.114 177.013 176.870 0.048 0.000 1.106 321 L CA 0.584 55.449 54.840 0.040 0.000 0.824 321 L CB 0.696 42.776 42.059 0.035 0.000 1.142 321 L HN 0.671 nan 8.230 nan 0.000 0.443 322 E N 3.267 123.474 120.200 0.011 0.000 2.336 322 E HA 0.606 4.956 4.350 0.000 0.000 0.267 322 E C -1.483 175.048 176.600 -0.115 0.000 0.906 322 E CA -1.061 55.335 56.400 -0.008 0.000 0.781 322 E CB 2.506 32.228 29.700 0.036 0.000 1.261 322 E HN 0.368 nan 8.360 nan 0.000 0.436 323 V N 1.679 121.481 119.914 -0.186 0.000 2.409 323 V HA 0.242 4.362 4.120 0.000 0.000 0.291 323 V C -0.228 175.785 176.094 -0.135 0.000 1.020 323 V CA -0.691 61.434 62.300 -0.291 0.000 0.848 323 V CB 1.754 33.127 31.823 -0.750 0.000 0.990 323 V HN 0.689 nan 8.190 nan 0.000 0.430 324 T N 6.696 121.195 114.554 -0.092 0.000 2.832 324 T HA 0.340 4.690 4.350 0.000 0.000 0.296 324 T C 0.209 174.930 174.700 0.036 0.000 0.968 324 T CA -0.357 61.722 62.100 -0.034 0.000 1.107 324 T CB 0.438 69.292 68.868 -0.023 0.000 0.916 324 T HN 0.347 nan 8.240 nan 0.000 0.517 325 M N 4.033 123.697 119.600 0.107 0.000 2.146 325 M HA 0.300 4.780 4.480 0.000 0.000 0.352 325 M C 0.320 176.830 176.300 0.349 0.000 1.343 325 M CA 0.171 55.633 55.300 0.270 0.000 1.115 325 M CB -0.146 32.701 32.600 0.412 0.000 1.657 325 M HN 0.618 nan 8.290 nan 0.000 0.471 326 E N 1.423 121.823 120.200 0.333 0.000 2.293 326 E HA 0.323 4.673 4.350 0.000 0.000 0.270 326 E C -1.017 175.690 176.600 0.177 0.000 0.879 326 E CA -0.744 55.850 56.400 0.323 0.000 0.756 326 E CB 2.550 32.384 29.700 0.224 0.000 1.208 326 E HN 0.484 nan 8.360 nan 0.000 0.428 327 H N 4.053 123.069 119.070 -0.090 0.000 2.473 327 H HA 0.191 4.747 4.556 0.000 0.000 0.327 327 H C -1.793 173.257 175.328 -0.464 0.000 1.105 327 H CA -2.344 53.420 56.048 -0.474 0.000 1.280 327 H CB 1.602 30.932 29.762 -0.720 0.000 1.450 327 H HN 0.336 nan 8.280 nan 0.000 0.492 328 P HA -0.073 nan 4.420 nan 0.000 0.236 328 P C 0.354 177.533 177.300 -0.201 0.000 1.172 328 P CA 0.911 63.575 63.100 -0.728 0.000 0.759 328 P CB 0.701 31.793 31.700 -1.013 0.000 0.843 329 K N -1.640 118.786 120.400 0.044 0.000 2.665 329 K HA 0.130 4.450 4.320 0.000 0.000 0.197 329 K C 0.808 177.424 176.600 0.026 0.000 1.463 329 K CA 0.250 56.525 56.287 -0.019 0.000 1.107 329 K CB 0.042 32.496 32.500 -0.076 0.000 1.584 329 K HN 0.246 nan 8.250 nan 0.000 0.558 330 Y N 3.442 123.472 120.300 -0.451 0.000 2.594 330 Y HA 0.109 4.659 4.550 0.000 0.000 0.344 330 Y C 1.139 176.679 175.900 -0.601 0.000 1.185 330 Y CA -0.478 57.168 58.100 -0.756 0.000 1.565 330 Y CB 0.087 37.631 38.460 -1.526 0.000 1.415 330 Y HN 0.086 nan 8.280 nan 0.000 0.488 331 E N 2.937 123.085 120.200 -0.087 0.000 2.219 331 E HA -0.234 4.116 4.350 0.000 0.000 0.198 331 E C 1.523 178.154 176.600 0.052 0.000 0.998 331 E CA 1.344 57.752 56.400 0.014 0.000 0.818 331 E CB -0.093 29.657 29.700 0.084 0.000 0.741 331 E HN 0.851 nan 8.360 nan 0.000 0.477 332 W N -0.188 121.203 121.300 0.151 0.000 2.825 332 W HA -0.043 4.617 4.660 0.000 0.000 0.243 332 W C 1.343 177.944 176.519 0.137 0.000 1.293 332 W CA -0.234 57.173 57.345 0.103 0.000 1.403 332 W CB -0.774 28.711 29.460 0.042 0.000 1.134 332 W HN -0.051 nan 8.180 nan 0.000 0.666 333 F N 3.428 123.173 119.950 -0.341 0.000 2.134 333 F HA -0.248 4.280 4.527 0.000 0.000 0.299 333 F C 2.862 178.676 175.800 0.024 0.000 1.097 333 F CA 2.925 60.791 58.000 -0.224 0.000 1.264 333 F CB -0.492 38.324 39.000 -0.307 0.000 1.001 333 F HN 0.019 nan 8.300 nan 0.000 0.479 334 Q N -0.229 119.623 119.800 0.087 0.000 2.170 334 Q HA -0.226 4.114 4.340 0.000 0.000 0.203 334 Q C 1.654 177.657 176.000 0.005 0.000 0.976 334 Q CA 1.901 57.732 55.803 0.045 0.000 0.858 334 Q CB -0.988 27.803 28.738 0.088 0.000 0.907 334 Q HN 0.481 nan 8.270 nan 0.000 0.433 335 E N 0.826 121.062 120.200 0.060 0.000 2.396 335 E HA -0.116 4.234 4.350 0.000 0.000 0.200 335 E C 1.617 178.231 176.600 0.023 0.000 1.023 335 E CA 0.706 57.148 56.400 0.070 0.000 0.857 335 E CB -0.119 29.663 29.700 0.137 0.000 0.775 335 E HN 0.474 nan 8.360 nan 0.000 0.525 336 L N -0.514 120.671 121.223 -0.064 0.000 2.478 336 L HA 0.065 4.405 4.340 0.000 0.000 0.223 336 L C 1.356 178.185 176.870 -0.067 0.000 1.140 336 L CA 0.275 55.044 54.840 -0.118 0.000 0.842 336 L CB -0.276 41.574 42.059 -0.349 0.000 0.953 336 L HN 0.192 nan 8.230 nan 0.000 0.452 337 G N 1.481 110.254 108.800 -0.045 0.000 2.338 337 G HA2 -0.282 3.678 3.960 0.000 0.000 0.296 337 G HA3 -0.282 3.678 3.960 0.000 0.000 0.296 337 G C -0.056 174.871 174.900 0.045 0.000 1.040 337 G CA 0.108 45.220 45.100 0.020 0.000 1.004 337 G HN 0.240 nan 8.290 nan 0.000 0.509 338 L N -0.717 120.457 121.223 -0.081 0.000 2.344 338 L HA 0.848 5.188 4.340 0.000 0.000 0.272 338 L C 0.605 177.357 176.870 -0.196 0.000 1.035 338 L CA -0.733 54.020 54.840 -0.145 0.000 0.807 338 L CB 1.838 43.715 42.059 -0.303 0.000 1.237 338 L HN 0.567 nan 8.230 nan 0.000 0.442 339 K N 0.517 120.691 120.400 -0.376 0.000 2.615 339 K HA 0.486 4.806 4.320 0.000 0.000 0.291 339 K C -2.054 174.575 176.600 0.049 0.000 1.017 339 K CA -1.078 55.098 56.287 -0.186 0.000 0.882 339 K CB 2.079 34.384 32.500 -0.325 0.000 1.522 339 K HN 0.562 nan 8.250 nan 0.000 0.412 340 W N 1.729 122.991 121.300 -0.064 0.000 3.213 340 W HA 0.330 4.990 4.660 0.000 0.000 0.318 340 W C -1.296 175.242 176.519 0.032 0.000 1.248 340 W CA -0.804 56.561 57.345 0.034 0.000 1.187 340 W CB 1.574 30.931 29.460 -0.172 0.000 1.403 340 W HN 0.683 nan 8.180 nan 0.000 0.556 341 Y N 1.200 121.329 120.300 -0.285 0.000 2.397 341 Y HA 0.475 5.025 4.550 0.000 0.000 0.335 341 Y C 0.816 176.879 175.900 0.272 0.000 1.213 341 Y CA 0.109 58.153 58.100 -0.093 0.000 1.391 341 Y CB 0.103 38.385 38.460 -0.296 0.000 1.293 341 Y HN 0.347 nan 8.280 nan 0.000 0.557 342 A N 2.724 125.752 122.820 0.347 0.000 2.123 342 A HA 0.112 4.432 4.320 0.000 0.000 0.214 342 A C 0.425 178.341 177.584 0.553 0.000 1.152 342 A CA 0.129 52.450 52.037 0.474 0.000 0.728 342 A CB -0.246 18.891 19.000 0.229 0.000 0.814 342 A HN 0.661 nan 8.150 nan 0.000 0.464 343 L N 2.065 123.562 121.223 0.456 0.000 2.264 343 L HA 0.429 4.769 4.340 0.000 0.000 0.287 343 L C -2.599 174.414 176.870 0.238 0.000 1.039 343 L CA -2.236 52.781 54.840 0.295 0.000 0.829 343 L CB 1.513 43.677 42.059 0.175 0.000 1.211 343 L HN -0.040 nan 8.230 nan 0.000 0.427 344 P HA 0.448 nan 4.420 nan 0.000 0.297 344 P C -1.578 175.617 177.300 -0.176 0.000 1.342 344 P CA -0.408 62.521 63.100 -0.286 0.000 0.801 344 P CB 1.614 32.715 31.700 -0.999 0.000 0.920 345 A N 4.000 126.726 122.820 -0.156 0.000 2.408 345 A HA 0.477 4.797 4.320 0.000 0.000 0.295 345 A C -0.611 176.749 177.584 -0.373 0.000 1.040 345 A CA -0.676 51.201 52.037 -0.267 0.000 0.707 345 A CB 1.376 20.226 19.000 -0.251 0.000 1.235 345 A HN 0.284 nan 8.150 nan 0.000 0.418 346 V N 2.403 121.921 119.914 -0.660 0.000 2.488 346 V HA 0.400 4.520 4.120 0.000 0.000 0.277 346 V C 1.237 176.932 176.094 -0.664 0.000 1.046 346 V CA 0.899 62.769 62.300 -0.717 0.000 0.986 346 V CB 0.986 32.128 31.823 -1.136 0.000 0.989 346 V HN 1.169 nan 8.190 nan 0.000 0.475 347 A N 4.423 127.017 122.820 -0.378 0.000 2.085 347 A HA 0.104 4.424 4.320 0.000 0.000 0.208 347 A C 1.323 178.814 177.584 -0.155 0.000 1.191 347 A CA 0.485 52.370 52.037 -0.252 0.000 0.799 347 A CB -0.054 18.833 19.000 -0.188 0.000 0.877 347 A HN 0.832 nan 8.150 nan 0.000 0.473 348 N N -0.454 118.160 118.700 -0.143 0.000 2.321 348 N HA 0.267 5.007 4.740 0.000 0.000 0.242 348 N C -0.198 175.313 175.510 0.002 0.000 1.141 348 N CA -0.093 52.914 53.050 -0.071 0.000 0.864 348 N CB -0.270 38.151 38.487 -0.110 0.000 1.100 348 N HN 0.366 nan 8.380 nan 0.000 0.510 349 M N 0.271 119.890 119.600 0.032 0.000 2.471 349 M HA 0.389 4.869 4.480 0.000 0.000 0.309 349 M C -0.525 175.907 176.300 0.220 0.000 1.186 349 M CA -0.979 54.416 55.300 0.158 0.000 1.008 349 M CB 2.167 34.889 32.600 0.203 0.000 1.551 349 M HN 0.102 nan 8.290 nan 0.000 0.477 350 L N 2.473 123.863 121.223 0.279 0.000 2.322 350 L HA 0.537 4.877 4.340 0.000 0.000 0.281 350 L C -1.453 175.651 176.870 0.389 0.000 1.014 350 L CA -1.004 54.016 54.840 0.299 0.000 0.815 350 L CB 1.332 43.525 42.059 0.222 0.000 1.247 350 L HN 0.592 nan 8.230 nan 0.000 0.421 351 L N 5.198 126.652 121.223 0.385 0.000 2.255 351 L HA 0.420 4.760 4.340 0.000 0.000 0.289 351 L C -0.301 176.734 176.870 0.275 0.000 1.046 351 L CA 0.300 55.312 54.840 0.287 0.000 0.816 351 L CB 0.869 43.059 42.059 0.219 0.000 1.197 351 L HN 0.604 nan 8.230 nan 0.000 0.427 352 E N 4.895 125.219 120.200 0.207 0.000 2.174 352 E HA 0.467 4.817 4.350 0.000 0.000 0.282 352 E C -1.753 174.877 176.600 0.050 0.000 0.992 352 E CA -0.291 56.209 56.400 0.166 0.000 0.803 352 E CB 1.700 31.563 29.700 0.271 0.000 1.090 352 E HN 0.507 nan 8.360 nan 0.000 0.396 353 V N 3.296 123.207 119.914 -0.005 0.000 2.789 353 V HA 0.464 4.584 4.120 0.000 0.000 0.300 353 V C 0.230 176.200 176.094 -0.206 0.000 1.184 353 V CA 0.379 62.570 62.300 -0.182 0.000 0.930 353 V CB 1.370 32.984 31.823 -0.348 0.000 1.041 353 V HN 0.856 nan 8.190 nan 0.000 0.430 354 G N 4.440 113.159 108.800 -0.135 0.000 2.422 354 G HA2 0.090 4.050 3.960 0.000 0.000 0.301 354 G HA3 0.090 4.050 3.960 0.000 0.000 0.301 354 G C 1.569 176.619 174.900 0.250 0.000 0.981 354 G CA 1.423 46.617 45.100 0.157 0.000 0.994 354 G HN 2.763 nan 8.290 nan 0.000 0.514 355 G N -2.128 106.751 108.800 0.132 0.000 2.205 355 G HA2 -0.251 3.709 3.960 0.000 0.000 0.261 355 G HA3 -0.251 3.709 3.960 0.000 0.000 0.261 355 G C 0.483 175.429 174.900 0.078 0.000 0.980 355 G CA 0.642 45.846 45.100 0.172 0.000 0.632 355 G HN 1.296 nan 8.290 nan 0.000 0.533 356 L N 0.303 121.526 121.223 0.001 0.000 2.360 356 L HA 0.724 5.064 4.340 0.000 0.000 0.271 356 L C 0.219 176.991 176.870 -0.163 0.000 1.057 356 L CA -0.745 54.001 54.840 -0.156 0.000 0.803 356 L CB 1.408 43.287 42.059 -0.300 0.000 1.207 356 L HN 0.157 nan 8.230 nan 0.000 0.445 357 E N 1.766 121.793 120.200 -0.288 0.000 2.224 357 E HA 0.414 4.764 4.350 0.000 0.000 0.265 357 E C -1.639 174.785 176.600 -0.294 0.000 0.878 357 E CA -0.447 55.862 56.400 -0.153 0.000 0.759 357 E CB 2.146 31.791 29.700 -0.092 0.000 1.164 357 E HN 0.257 nan 8.360 nan 0.000 0.414 358 F N 3.081 123.051 119.950 0.033 0.000 2.359 358 F HA 0.307 4.834 4.527 0.000 0.000 0.369 358 F C -1.820 174.047 175.800 0.112 0.000 1.084 358 F CA -2.236 55.803 58.000 0.064 0.000 1.096 358 F CB 1.429 40.461 39.000 0.053 0.000 1.335 358 F HN 0.346 nan 8.300 nan 0.000 0.457 359 P HA -0.042 nan 4.420 nan 0.000 0.231 359 P C -0.216 177.210 177.300 0.211 0.000 1.158 359 P CA 0.686 63.896 63.100 0.183 0.000 0.763 359 P CB 0.424 32.204 31.700 0.133 0.000 0.805 360 A N -0.058 122.936 122.820 0.291 0.000 2.446 360 A HA 0.560 4.880 4.320 0.000 0.000 0.282 360 A C -0.340 177.487 177.584 0.406 0.000 1.102 360 A CA -0.423 51.794 52.037 0.301 0.000 0.737 360 A CB 0.412 19.569 19.000 0.262 0.000 1.212 360 A HN 0.220 nan 8.150 nan 0.000 0.434 361 C N 0.640 120.124 119.300 0.306 0.000 2.945 361 C HA 0.411 4.871 4.460 0.000 0.000 0.216 361 C C -2.763 172.336 174.990 0.182 0.000 1.319 361 C CA -1.404 57.765 59.018 0.252 0.000 1.036 361 C CB -0.557 27.317 27.740 0.223 0.000 1.871 361 C HN 0.602 nan 8.230 nan 0.000 0.660 362 P HA 0.248 nan 4.420 nan 0.000 0.264 362 P C -0.536 176.755 177.300 -0.015 0.000 1.183 362 P CA 1.180 64.218 63.100 -0.104 0.000 0.763 362 P CB 0.408 32.049 31.700 -0.098 0.000 0.807 363 F N 0.661 120.539 119.950 -0.119 0.000 2.629 363 F HA 0.698 5.226 4.527 0.000 0.000 0.316 363 F C -0.726 174.979 175.800 -0.159 0.000 1.081 363 F CA -1.260 56.676 58.000 -0.106 0.000 0.954 363 F CB 1.690 40.492 39.000 -0.330 0.000 1.337 363 F HN 0.383 nan 8.300 nan 0.000 0.474 364 N N -0.178 118.624 118.700 0.169 0.000 2.494 364 N HA 0.722 5.462 4.740 0.000 0.000 0.270 364 N C -1.241 174.216 175.510 -0.088 0.000 1.285 364 N CA -0.431 52.635 53.050 0.026 0.000 0.812 364 N CB 2.000 40.540 38.487 0.088 0.000 1.557 364 N HN 1.091 nan 8.380 nan 0.000 0.487 365 G N -0.763 107.937 108.800 -0.167 0.000 3.214 365 G HA2 0.674 4.634 3.960 0.000 0.000 0.188 365 G HA3 0.674 4.634 3.960 0.000 0.000 0.188 365 G C -1.759 173.089 174.900 -0.087 0.000 1.126 365 G CA -0.700 44.214 45.100 -0.311 0.000 0.796 365 G HN 0.706 nan 8.290 nan 0.000 0.631 366 W N -1.751 119.529 121.300 -0.034 0.000 2.929 366 W HA 0.827 5.487 4.660 0.000 0.000 0.345 366 W C -1.437 175.045 176.519 -0.062 0.000 1.151 366 W CA -2.084 55.250 57.345 -0.018 0.000 1.111 366 W CB 0.382 29.874 29.460 0.053 0.000 1.449 366 W HN 0.395 nan 8.180 nan 0.000 0.572 367 Y N 2.036 122.500 120.300 0.273 0.000 2.326 367 Y HA 0.319 4.869 4.550 0.000 0.000 0.333 367 Y C 0.616 176.532 175.900 0.027 0.000 1.240 367 Y CA -0.728 57.398 58.100 0.044 0.000 1.365 367 Y CB 1.215 39.583 38.460 -0.153 0.000 1.289 367 Y HN 0.375 nan 8.280 nan 0.000 0.548 368 M N 2.347 122.063 119.600 0.193 0.000 2.167 368 M HA 0.344 4.824 4.480 0.000 0.000 0.333 368 M C 1.076 177.331 176.300 -0.074 0.000 1.030 368 M CA -0.212 55.129 55.300 0.068 0.000 0.963 368 M CB 1.261 33.892 32.600 0.051 0.000 1.589 368 M HN 0.869 nan 8.290 nan 0.000 0.431 369 G N 1.976 110.685 108.800 -0.152 0.000 2.663 369 G HA2 -0.383 3.577 3.960 0.000 0.000 0.222 369 G HA3 -0.383 3.577 3.960 0.000 0.000 0.222 369 G C 1.133 175.846 174.900 -0.313 0.000 1.146 369 G CA 2.142 47.082 45.100 -0.266 0.000 0.764 369 G HN 0.872 nan 8.290 nan 0.000 0.608 370 T N -0.876 113.506 114.554 -0.287 0.000 2.849 370 T HA -0.049 4.301 4.350 0.000 0.000 0.270 370 T C 1.939 176.443 174.700 -0.326 0.000 1.066 370 T CA 1.713 63.602 62.100 -0.352 0.000 1.130 370 T CB -0.317 68.282 68.868 -0.447 0.000 0.864 370 T HN 0.589 nan 8.240 nan 0.000 0.481 371 E N 0.949 120.980 120.200 -0.281 0.000 2.085 371 E HA -0.057 4.293 4.350 0.000 0.000 0.194 371 E C 2.104 178.414 176.600 -0.484 0.000 0.994 371 E CA 1.448 57.695 56.400 -0.254 0.000 0.801 371 E CB -0.303 29.380 29.700 -0.028 0.000 0.743 371 E HN 0.583 nan 8.360 nan 0.000 0.453 372 I N 0.414 120.543 120.570 -0.735 0.000 2.260 372 I HA -0.066 4.104 4.170 0.000 0.000 0.237 372 I C 2.626 178.111 176.117 -1.053 0.000 1.075 372 I CA 0.957 61.525 61.300 -1.219 0.000 1.376 372 I CB -0.552 36.639 38.000 -1.349 0.000 1.107 372 I HN 0.111 nan 8.210 nan 0.000 0.420 373 G N 0.364 108.790 108.800 -0.624 0.000 2.432 373 G HA2 -0.125 3.835 3.960 0.000 0.000 0.219 373 G HA3 -0.125 3.835 3.960 0.000 0.000 0.219 373 G C 1.532 176.348 174.900 -0.140 0.000 1.135 373 G CA 1.105 46.048 45.100 -0.261 0.000 0.767 373 G HN 0.249 nan 8.290 nan 0.000 0.550 374 V N -0.211 119.564 119.914 -0.232 0.000 2.599 374 V HA 0.120 4.240 4.120 0.000 0.000 0.237 374 V C 2.691 178.703 176.094 -0.137 0.000 1.081 374 V CA 0.621 62.828 62.300 -0.155 0.000 1.107 374 V CB -0.214 31.487 31.823 -0.204 0.000 0.808 374 V HN 0.074 nan 8.190 nan 0.000 0.486 375 R N 0.979 121.358 120.500 -0.201 0.000 2.060 375 R HA -0.052 4.288 4.340 0.000 0.000 0.225 375 R C 1.991 178.222 176.300 -0.115 0.000 1.155 375 R CA 1.663 57.673 56.100 -0.150 0.000 0.930 375 R CB -1.255 28.943 30.300 -0.170 0.000 0.829 375 R HN 0.458 nan 8.270 nan 0.000 0.433 376 D N 0.442 120.675 120.400 -0.278 0.000 2.133 376 D HA -0.161 4.479 4.640 0.000 0.000 0.195 376 D C 1.878 178.212 176.300 0.056 0.000 0.997 376 D CA 1.238 55.072 54.000 -0.277 0.000 0.840 376 D CB -0.208 39.925 40.800 -1.111 0.000 0.947 376 D HN 0.111 nan 8.370 nan 0.000 0.452 377 F N 0.043 119.914 119.950 -0.132 0.000 2.317 377 F HA 0.052 4.579 4.527 0.000 0.000 0.293 377 F C 2.389 178.241 175.800 0.088 0.000 1.085 377 F CA -0.250 57.765 58.000 0.025 0.000 1.390 377 F CB -0.683 38.311 39.000 -0.010 0.000 1.077 377 F HN 0.031 nan 8.300 nan 0.000 0.517 378 C N -1.125 118.306 119.300 0.218 0.000 2.780 378 C HA 0.170 4.630 4.460 0.000 0.000 0.267 378 C C 0.450 175.495 174.990 0.092 0.000 1.266 378 C CA -0.700 58.402 59.018 0.140 0.000 1.709 378 C CB -0.689 27.099 27.740 0.079 0.000 1.975 378 C HN 0.089 nan 8.230 nan 0.000 0.582 379 D N 1.875 122.322 120.400 0.078 0.000 2.488 379 D HA 0.047 4.688 4.640 0.000 0.000 0.238 379 D C 1.553 177.901 176.300 0.079 0.000 1.138 379 D CA 0.549 54.582 54.000 0.054 0.000 0.873 379 D CB 0.983 41.812 40.800 0.048 0.000 1.183 379 D HN 0.429 nan 8.370 nan 0.000 0.458 380 T N -0.366 114.222 114.554 0.057 0.000 2.867 380 T HA -0.230 4.120 4.350 0.000 0.000 0.268 380 T C 1.347 176.082 174.700 0.058 0.000 1.057 380 T CA 0.780 62.917 62.100 0.062 0.000 1.136 380 T CB -0.053 68.845 68.868 0.051 0.000 0.874 380 T HN 0.503 nan 8.240 nan 0.000 0.466 381 Q N 0.899 120.731 119.800 0.054 0.000 2.373 381 Q HA 0.130 4.470 4.340 0.000 0.000 0.206 381 Q C 0.678 176.713 176.000 0.059 0.000 0.942 381 Q CA 0.016 55.848 55.803 0.049 0.000 0.953 381 Q CB 0.102 28.867 28.738 0.046 0.000 1.022 381 Q HN 0.396 nan 8.270 nan 0.000 0.502 382 R N -0.442 120.109 120.500 0.087 0.000 3.096 382 R HA 0.243 4.583 4.340 0.000 0.000 0.138 382 R C 1.190 177.539 176.300 0.082 0.000 1.088 382 R CA -0.550 55.628 56.100 0.130 0.000 0.652 382 R CB -1.068 29.388 30.300 0.259 0.000 1.179 382 R HN 0.046 nan 8.270 nan 0.000 0.404 383 Y N 1.743 122.182 120.300 0.231 0.000 2.639 383 Y HA -0.078 4.472 4.550 0.000 0.000 0.297 383 Y C 0.700 176.689 175.900 0.148 0.000 1.151 383 Y CA 0.746 58.977 58.100 0.218 0.000 1.335 383 Y CB -0.615 38.058 38.460 0.355 0.000 0.994 383 Y HN 0.493 nan 8.280 nan 0.000 0.548 384 N N 1.097 119.938 118.700 0.236 0.000 2.700 384 N HA -0.244 4.496 4.740 0.000 0.000 0.265 384 N C 0.416 176.022 175.510 0.161 0.000 0.975 384 N CA 0.847 53.996 53.050 0.165 0.000 0.800 384 N CB -1.220 37.332 38.487 0.108 0.000 0.908 384 N HN 0.683 nan 8.380 nan 0.000 0.551 385 I N -3.105 117.575 120.570 0.183 0.000 3.875 385 I HA 0.129 4.299 4.170 0.000 0.000 0.329 385 I C 1.561 177.779 176.117 0.169 0.000 1.295 385 I CA -0.399 60.985 61.300 0.141 0.000 1.129 385 I CB -0.049 37.993 38.000 0.069 0.000 1.008 385 I HN 0.157 nan 8.210 nan 0.000 0.413 386 L N 1.824 123.160 121.223 0.188 0.000 1.989 386 L HA -0.220 4.120 4.340 0.000 0.000 0.211 386 L C 2.575 179.655 176.870 0.351 0.000 1.071 386 L CA 2.347 57.324 54.840 0.229 0.000 0.749 386 L CB -0.757 41.388 42.059 0.142 0.000 0.890 386 L HN 0.533 nan 8.230 nan 0.000 0.431 387 E N -0.707 119.702 120.200 0.349 0.000 2.085 387 E HA -0.328 4.022 4.350 0.000 0.000 0.194 387 E C 2.115 178.783 176.600 0.114 0.000 0.994 387 E CA 1.562 58.145 56.400 0.305 0.000 0.801 387 E CB -0.204 29.593 29.700 0.162 0.000 0.743 387 E HN 0.673 nan 8.360 nan 0.000 0.453 388 E N -0.123 120.136 120.200 0.099 0.000 2.085 388 E HA -0.182 4.168 4.350 0.000 0.000 0.194 388 E C 2.033 178.673 176.600 0.068 0.000 0.994 388 E CA 1.539 57.964 56.400 0.041 0.000 0.801 388 E CB 0.059 29.786 29.700 0.045 0.000 0.743 388 E HN 0.190 nan 8.360 nan 0.000 0.453 389 V N 0.595 120.626 119.914 0.196 0.000 2.626 389 V HA -0.125 3.995 4.120 0.000 0.000 0.252 389 V C 2.235 178.490 176.094 0.268 0.000 1.067 389 V CA 1.588 64.090 62.300 0.337 0.000 1.081 389 V CB -0.628 31.472 31.823 0.463 0.000 0.686 389 V HN 0.519 nan 8.190 nan 0.000 0.468 390 G N 0.191 109.136 108.800 0.243 0.000 2.484 390 G HA2 -0.225 3.735 3.960 0.000 0.000 0.215 390 G HA3 -0.225 3.735 3.960 0.000 0.000 0.215 390 G C 1.672 176.539 174.900 -0.054 0.000 1.219 390 G CA 0.672 45.887 45.100 0.192 0.000 0.791 390 G HN 0.384 nan 8.290 nan 0.000 0.550 391 R N 0.112 120.511 120.500 -0.168 0.000 2.113 391 R HA -0.103 4.237 4.340 0.000 0.000 0.244 391 R C 2.649 178.762 176.300 -0.311 0.000 1.142 391 R CA 1.413 57.369 56.100 -0.239 0.000 0.953 391 R CB -0.417 29.753 30.300 -0.218 0.000 0.860 391 R HN 0.265 nan 8.270 nan 0.000 0.438 392 R N 0.186 120.428 120.500 -0.430 0.000 2.241 392 R HA -0.036 4.304 4.340 0.000 0.000 0.224 392 R C 1.931 177.696 176.300 -0.892 0.000 1.101 392 R CA 0.966 56.514 56.100 -0.920 0.000 0.995 392 R CB -0.148 29.191 30.300 -1.602 0.000 0.870 392 R HN 0.352 nan 8.270 nan 0.000 0.463 393 M N -0.662 118.719 119.600 -0.365 0.000 2.502 393 M HA 0.130 4.610 4.480 0.000 0.000 0.243 393 M C 0.557 176.768 176.300 -0.148 0.000 1.130 393 M CA 0.394 55.608 55.300 -0.143 0.000 1.055 393 M CB 0.679 33.361 32.600 0.137 0.000 1.457 393 M HN 0.286 nan 8.290 nan 0.000 0.488 394 G N 2.488 111.170 108.800 -0.196 0.000 2.314 394 G HA2 -0.226 3.734 3.960 0.000 0.000 0.292 394 G HA3 -0.226 3.734 3.960 0.000 0.000 0.292 394 G C -0.362 174.477 174.900 -0.101 0.000 1.059 394 G CA -0.082 44.923 45.100 -0.159 0.000 0.982 394 G HN 0.392 nan 8.290 nan 0.000 0.505 395 L N -1.196 119.964 121.223 -0.106 0.000 2.358 395 L HA 0.502 4.842 4.340 0.000 0.000 0.268 395 L C 0.929 177.683 176.870 -0.194 0.000 1.032 395 L CA -1.099 53.700 54.840 -0.067 0.000 0.805 395 L CB 0.996 43.094 42.059 0.065 0.000 1.253 395 L HN 0.195 nan 8.230 nan 0.000 0.452 396 E N 0.166 120.283 120.200 -0.139 0.000 2.222 396 E HA -0.020 4.330 4.350 0.000 0.000 0.312 396 E C 0.682 176.964 176.600 -0.530 0.000 1.263 396 E CA -0.036 56.249 56.400 -0.192 0.000 1.356 396 E CB -0.170 29.510 29.700 -0.033 0.000 1.180 396 E HN 0.629 nan 8.360 nan 0.000 0.494 397 T N -1.988 111.993 114.554 -0.955 0.000 3.139 397 T HA -0.138 4.212 4.350 0.000 0.000 0.267 397 T C 0.961 174.975 174.700 -1.144 0.000 1.164 397 T CA 0.687 61.641 62.100 -1.910 0.000 1.075 397 T CB -0.076 67.777 68.868 -1.690 0.000 0.904 397 T HN 0.401 nan 8.240 nan 0.000 0.540 398 H N 0.066 118.899 119.070 -0.394 0.000 2.755 398 H HA 0.275 4.831 4.556 0.000 0.000 0.273 398 H C -0.075 175.252 175.328 -0.001 0.000 1.055 398 H CA 0.023 55.991 56.048 -0.134 0.000 1.191 398 H CB 0.890 30.584 29.762 -0.114 0.000 1.536 398 H HN 0.343 nan 8.280 nan 0.000 0.529 399 T N 2.072 116.696 114.554 0.117 0.000 2.934 399 T HA 0.223 4.573 4.350 0.000 0.000 0.328 399 T C 1.522 176.416 174.700 0.323 0.000 1.068 399 T CA -0.324 61.885 62.100 0.181 0.000 1.018 399 T CB 1.366 70.307 68.868 0.122 0.000 1.009 399 T HN 0.077 nan 8.240 nan 0.000 0.471 400 L N 1.850 123.258 121.223 0.308 0.000 2.013 400 L HA -0.165 4.175 4.340 0.000 0.000 0.212 400 L C 2.754 179.724 176.870 0.166 0.000 1.073 400 L CA 1.494 56.490 54.840 0.261 0.000 0.753 400 L CB -0.414 41.733 42.059 0.147 0.000 0.890 400 L HN 0.721 nan 8.230 nan 0.000 0.432 401 A N -0.478 122.423 122.820 0.134 0.000 2.259 401 A HA -0.154 4.166 4.320 0.000 0.000 0.212 401 A C 2.297 179.946 177.584 0.109 0.000 1.178 401 A CA 1.486 53.580 52.037 0.095 0.000 0.734 401 A CB -0.528 18.517 19.000 0.076 0.000 0.774 401 A HN 0.579 nan 8.150 nan 0.000 0.481 402 S N -0.870 114.934 115.700 0.174 0.000 2.528 402 S HA 0.193 4.663 4.470 0.000 0.000 0.219 402 S C 0.862 175.562 174.600 0.167 0.000 0.985 402 S CA 0.521 58.827 58.200 0.177 0.000 0.914 402 S CB -0.596 62.738 63.200 0.222 0.000 0.776 402 S HN 0.840 nan 8.310 nan 0.000 0.526 403 L N 0.552 121.849 121.223 0.123 0.000 4.089 403 L HA -0.174 4.166 4.340 0.000 0.000 0.408 403 L C 1.663 178.557 176.870 0.040 0.000 1.184 403 L CA 0.765 55.617 54.840 0.021 0.000 0.947 403 L CB -2.676 39.401 42.059 0.031 0.000 2.066 403 L HN 0.733 nan 8.230 nan 0.000 0.851 404 W N 0.477 121.795 121.300 0.031 0.000 2.358 404 W HA -0.155 4.505 4.660 0.000 0.000 0.303 404 W C 1.759 178.305 176.519 0.045 0.000 1.208 404 W CA 1.438 58.803 57.345 0.035 0.000 1.274 404 W CB -0.867 28.603 29.460 0.017 0.000 1.138 404 W HN 0.232 nan 8.180 nan 0.000 0.515 405 K N 0.667 120.496 120.400 -0.952 0.000 2.113 405 K HA -0.191 4.129 4.320 0.000 0.000 0.208 405 K C 1.596 178.022 176.600 -0.289 0.000 1.047 405 K CA 2.140 57.908 56.287 -0.864 0.000 0.928 405 K CB -0.368 31.517 32.500 -1.025 0.000 0.716 405 K HN 0.039 nan 8.250 nan 0.000 0.446 406 D N 0.247 120.528 120.400 -0.198 0.000 2.144 406 D HA -0.113 4.527 4.640 0.000 0.000 0.200 406 D C 1.998 178.304 176.300 0.010 0.000 0.978 406 D CA 0.971 54.928 54.000 -0.072 0.000 0.833 406 D CB -0.010 40.763 40.800 -0.047 0.000 0.961 406 D HN 0.194 nan 8.370 nan 0.000 0.470 407 R N 0.687 121.223 120.500 0.061 0.000 2.066 407 R HA -0.002 4.338 4.340 0.000 0.000 0.232 407 R C 2.307 178.705 176.300 0.163 0.000 1.131 407 R CA 1.071 57.247 56.100 0.126 0.000 0.955 407 R CB -0.260 30.146 30.300 0.175 0.000 0.851 407 R HN 0.079 nan 8.270 nan 0.000 0.432 408 A N 0.848 123.784 122.820 0.193 0.000 1.845 408 A HA -0.146 4.174 4.320 0.000 0.000 0.215 408 A C 2.274 179.964 177.584 0.176 0.000 1.195 408 A CA 1.527 53.711 52.037 0.245 0.000 0.616 408 A CB -1.033 18.148 19.000 0.302 0.000 0.832 408 A HN 0.180 nan 8.150 nan 0.000 0.443 409 V N 0.165 120.136 119.914 0.095 0.000 2.439 409 V HA -0.262 3.858 4.120 0.000 0.000 0.253 409 V C 2.555 178.679 176.094 0.050 0.000 1.074 409 V CA 2.927 65.263 62.300 0.060 0.000 1.076 409 V CB -0.888 30.930 31.823 -0.009 0.000 0.664 409 V HN 0.697 nan 8.190 nan 0.000 0.461 410 T N -0.523 114.066 114.554 0.059 0.000 2.812 410 T HA -0.109 4.242 4.350 0.000 0.000 0.264 410 T C 1.789 176.508 174.700 0.031 0.000 1.042 410 T CA 1.372 63.501 62.100 0.048 0.000 1.140 410 T CB -0.223 68.681 68.868 0.059 0.000 0.870 410 T HN 0.504 nan 8.240 nan 0.000 0.445 411 E N 1.146 121.391 120.200 0.075 0.000 2.077 411 E HA -0.023 4.327 4.350 0.000 0.000 0.193 411 E C 2.252 178.816 176.600 -0.060 0.000 0.989 411 E CA 0.752 57.189 56.400 0.060 0.000 0.800 411 E CB -0.483 29.320 29.700 0.171 0.000 0.746 411 E HN 0.521 nan 8.360 nan 0.000 0.452 412 I N 1.615 122.212 120.570 0.046 0.000 2.163 412 I HA -0.284 3.886 4.170 0.000 0.000 0.243 412 I C 2.108 178.216 176.117 -0.014 0.000 1.085 412 I CA 0.926 62.267 61.300 0.068 0.000 1.347 412 I CB -0.388 37.767 38.000 0.258 0.000 1.044 412 I HN 0.049 nan 8.210 nan 0.000 0.408 413 N N 0.670 119.355 118.700 -0.024 0.000 2.104 413 N HA -0.133 4.607 4.740 0.000 0.000 0.190 413 N C 1.908 177.361 175.510 -0.096 0.000 1.024 413 N CA 1.245 54.258 53.050 -0.062 0.000 0.853 413 N CB -0.294 38.166 38.487 -0.046 0.000 1.008 413 N HN 0.173 nan 8.380 nan 0.000 0.424 414 V N 1.431 121.253 119.914 -0.154 0.000 2.427 414 V HA -0.149 3.971 4.120 0.000 0.000 0.248 414 V C 2.396 178.288 176.094 -0.337 0.000 1.051 414 V CA 1.551 63.705 62.300 -0.244 0.000 1.048 414 V CB -0.880 30.730 31.823 -0.355 0.000 0.666 414 V HN 0.262 nan 8.190 nan 0.000 0.456 415 A N 0.205 122.752 122.820 -0.456 0.000 1.851 415 A HA -0.178 4.142 4.320 0.000 0.000 0.216 415 A C 2.421 179.955 177.584 -0.083 0.000 1.195 415 A CA 2.250 54.003 52.037 -0.472 0.000 0.622 415 A CB -0.891 17.563 19.000 -0.911 0.000 0.831 415 A HN 0.292 nan 8.150 nan 0.000 0.444 416 V N 0.207 120.124 119.914 0.005 0.000 2.250 416 V HA -0.331 3.789 4.120 0.000 0.000 0.250 416 V C 2.635 178.802 176.094 0.122 0.000 1.060 416 V CA 2.313 64.680 62.300 0.111 0.000 1.030 416 V CB -0.898 30.906 31.823 -0.031 0.000 0.643 416 V HN 0.573 nan 8.190 nan 0.000 0.445 417 L N -0.904 120.321 121.223 0.004 0.000 2.017 417 L HA -0.223 4.117 4.340 0.000 0.000 0.208 417 L C 2.613 179.521 176.870 0.063 0.000 1.073 417 L CA 2.124 56.970 54.840 0.010 0.000 0.745 417 L CB -0.949 41.097 42.059 -0.021 0.000 0.894 417 L HN 0.509 nan 8.230 nan 0.000 0.432 418 H N 0.034 119.060 119.070 -0.073 0.000 2.290 418 H HA -0.176 4.381 4.556 0.000 0.000 0.298 418 H C 2.338 177.656 175.328 -0.018 0.000 1.087 418 H CA 2.048 58.044 56.048 -0.088 0.000 1.291 418 H CB 0.269 29.910 29.762 -0.203 0.000 1.369 418 H HN 0.260 nan 8.280 nan 0.000 0.492 419 S N 0.298 115.971 115.700 -0.044 0.000 2.359 419 S HA -0.161 4.309 4.470 0.000 0.000 0.224 419 S C 2.019 176.577 174.600 -0.069 0.000 1.035 419 S CA 1.497 59.654 58.200 -0.072 0.000 1.018 419 S CB -0.597 62.643 63.200 0.067 0.000 0.876 419 S HN 0.310 nan 8.310 nan 0.000 0.448 420 F N 1.895 121.790 119.950 -0.092 0.000 2.171 420 F HA -0.105 4.422 4.527 0.000 0.000 0.300 420 F C 2.657 178.399 175.800 -0.096 0.000 1.090 420 F CA 1.133 59.091 58.000 -0.069 0.000 1.293 420 F CB -0.485 38.487 39.000 -0.048 0.000 1.013 420 F HN 0.224 nan 8.300 nan 0.000 0.486 421 Q N -0.183 119.650 119.800 0.055 0.000 2.046 421 Q HA -0.216 4.124 4.340 0.000 0.000 0.200 421 Q C 2.202 178.142 176.000 -0.101 0.000 0.975 421 Q CA 1.478 57.263 55.803 -0.030 0.000 0.836 421 Q CB -0.292 28.417 28.738 -0.048 0.000 0.896 421 Q HN 0.299 nan 8.270 nan 0.000 0.428 422 K N 0.694 120.971 120.400 -0.206 0.000 2.209 422 K HA -0.154 4.166 4.320 0.000 0.000 0.204 422 K C 1.302 177.820 176.600 -0.137 0.000 1.048 422 K CA 1.082 57.242 56.287 -0.211 0.000 0.940 422 K CB 0.211 32.501 32.500 -0.350 0.000 0.729 422 K HN 0.194 nan 8.250 nan 0.000 0.451 423 Q N 0.178 119.897 119.800 -0.134 0.000 2.222 423 Q HA 0.109 4.449 4.340 0.000 0.000 0.206 423 Q C -0.624 175.322 176.000 -0.090 0.000 0.877 423 Q CA -0.245 55.488 55.803 -0.117 0.000 0.958 423 Q CB 0.593 29.235 28.738 -0.160 0.000 1.075 423 Q HN 0.265 nan 8.270 nan 0.000 0.483 424 N N -0.191 118.468 118.700 -0.068 0.000 2.708 424 N HA -0.150 4.590 4.740 0.000 0.000 0.249 424 N C -1.129 174.366 175.510 -0.025 0.000 1.097 424 N CA 0.642 53.665 53.050 -0.045 0.000 0.710 424 N CB -1.408 37.052 38.487 -0.046 0.000 1.032 424 N HN 0.045 nan 8.380 nan 0.000 0.551 425 V N 1.075 120.992 119.914 0.005 0.000 2.370 425 V HA 0.204 4.324 4.120 0.000 0.000 0.279 425 V C 0.966 177.189 176.094 0.216 0.000 1.029 425 V CA -0.590 61.763 62.300 0.088 0.000 0.870 425 V CB 1.791 33.613 31.823 -0.002 0.000 0.984 425 V HN 0.151 nan 8.190 nan 0.000 0.451 426 T N 6.596 121.206 114.554 0.093 0.000 2.923 426 T HA 0.331 4.681 4.350 0.000 0.000 0.304 426 T C -0.209 174.509 174.700 0.030 0.000 1.044 426 T CA 0.999 63.063 62.100 -0.060 0.000 1.141 426 T CB 0.045 68.743 68.868 -0.283 0.000 1.023 426 T HN 0.599 nan 8.240 nan 0.000 0.533 427 I N 2.123 122.628 120.570 -0.108 0.000 2.897 427 I HA 0.540 4.710 4.170 0.000 0.000 0.299 427 I C -1.725 174.354 176.117 -0.063 0.000 1.527 427 I CA -1.001 60.237 61.300 -0.104 0.000 0.979 427 I CB 1.999 39.812 38.000 -0.312 0.000 1.360 427 I HN 0.649 nan 8.210 nan 0.000 0.495 428 M N 4.934 124.555 119.600 0.036 0.000 2.327 428 M HA 0.383 4.863 4.480 0.000 0.000 0.298 428 M C -1.588 174.750 176.300 0.064 0.000 1.065 428 M CA -0.518 54.833 55.300 0.084 0.000 0.916 428 M CB 1.637 34.376 32.600 0.232 0.000 1.630 428 M HN 0.624 nan 8.290 nan 0.000 0.442 429 D N 2.266 122.703 120.400 0.062 0.000 2.357 429 D HA 0.049 4.689 4.640 0.000 0.000 0.242 429 D C 1.166 177.536 176.300 0.117 0.000 1.153 429 D CA -0.051 54.012 54.000 0.105 0.000 0.918 429 D CB 0.575 41.432 40.800 0.096 0.000 1.181 429 D HN 0.689 nan 8.370 nan 0.000 0.435 430 H N 0.595 119.620 119.070 -0.076 0.000 2.457 430 H HA -0.143 4.413 4.556 0.000 0.000 0.294 430 H C 1.097 176.341 175.328 -0.140 0.000 1.064 430 H CA 1.430 57.394 56.048 -0.139 0.000 1.330 430 H CB -0.709 28.911 29.762 -0.236 0.000 1.395 430 H HN 0.565 nan 8.280 nan 0.000 0.541 431 H N 0.839 119.678 119.070 -0.384 0.000 2.326 431 H HA -0.040 4.516 4.556 0.000 0.000 0.301 431 H C 1.875 177.161 175.328 -0.068 0.000 1.081 431 H CA 1.952 57.856 56.048 -0.240 0.000 1.334 431 H CB -0.193 29.404 29.762 -0.275 0.000 1.385 431 H HN 0.405 nan 8.280 nan 0.000 0.504 432 T N 1.066 115.670 114.554 0.082 0.000 2.821 432 T HA -0.058 4.292 4.350 0.000 0.000 0.267 432 T C 2.344 177.107 174.700 0.104 0.000 1.046 432 T CA 1.019 63.169 62.100 0.083 0.000 1.139 432 T CB -0.320 68.592 68.868 0.074 0.000 0.871 432 T HN 0.421 nan 8.240 nan 0.000 0.454 433 A N 1.462 124.345 122.820 0.105 0.000 1.902 433 A HA -0.083 4.237 4.320 0.000 0.000 0.217 433 A C 2.624 180.298 177.584 0.151 0.000 1.181 433 A CA 1.876 53.993 52.037 0.133 0.000 0.623 433 A CB -0.909 18.160 19.000 0.114 0.000 0.818 433 A HN 0.429 nan 8.150 nan 0.000 0.443 434 S N -0.230 115.539 115.700 0.115 0.000 2.359 434 S HA -0.189 4.281 4.470 0.000 0.000 0.224 434 S C 1.879 176.591 174.600 0.186 0.000 1.035 434 S CA 1.582 59.870 58.200 0.147 0.000 1.018 434 S CB -0.369 62.884 63.200 0.089 0.000 0.876 434 S HN 0.688 nan 8.310 nan 0.000 0.448 435 E N 0.765 121.048 120.200 0.138 0.000 2.085 435 E HA -0.143 4.207 4.350 0.000 0.000 0.194 435 E C 2.304 178.977 176.600 0.123 0.000 0.994 435 E CA 1.219 57.690 56.400 0.118 0.000 0.801 435 E CB -0.259 29.493 29.700 0.087 0.000 0.743 435 E HN 0.411 nan 8.360 nan 0.000 0.453 436 S N 0.264 116.048 115.700 0.141 0.000 2.370 436 S HA -0.202 4.268 4.470 0.000 0.000 0.226 436 S C 1.761 176.464 174.600 0.173 0.000 1.033 436 S CA 1.112 59.400 58.200 0.146 0.000 1.011 436 S CB -0.308 62.990 63.200 0.164 0.000 0.852 436 S HN 0.322 nan 8.310 nan 0.000 0.457 437 F N 1.722 121.729 119.950 0.096 0.000 2.186 437 F HA 0.019 4.546 4.527 0.000 0.000 0.299 437 F C 2.086 177.974 175.800 0.147 0.000 1.090 437 F CA 1.381 59.453 58.000 0.120 0.000 1.307 437 F CB -0.349 38.702 39.000 0.085 0.000 1.019 437 F HN 0.194 nan 8.300 nan 0.000 0.489 438 M N 0.184 119.805 119.600 0.034 0.000 2.117 438 M HA -0.181 4.299 4.480 0.000 0.000 0.262 438 M C 2.200 178.441 176.300 -0.097 0.000 1.065 438 M CA 1.541 56.817 55.300 -0.041 0.000 1.114 438 M CB -1.269 31.373 32.600 0.071 0.000 1.361 438 M HN 0.082 nan 8.290 nan 0.000 0.408 439 K N -0.405 119.975 120.400 -0.033 0.000 2.057 439 K HA -0.196 4.124 4.320 0.000 0.000 0.207 439 K C 1.988 178.550 176.600 -0.063 0.000 1.049 439 K CA 1.720 57.991 56.287 -0.026 0.000 0.931 439 K CB -0.538 31.975 32.500 0.021 0.000 0.714 439 K HN 0.395 nan 8.250 nan 0.000 0.440 440 H N -0.072 118.889 119.070 -0.183 0.000 2.293 440 H HA -0.091 4.465 4.556 0.000 0.000 0.300 440 H C 2.039 177.194 175.328 -0.289 0.000 1.082 440 H CA 2.611 58.528 56.048 -0.218 0.000 1.308 440 H CB -0.263 29.344 29.762 -0.258 0.000 1.375 440 H HN 0.272 nan 8.280 nan 0.000 0.495 441 M N -0.032 119.211 119.600 -0.595 0.000 2.080 441 M HA -0.260 4.220 4.480 0.000 0.000 0.260 441 M C 2.530 178.732 176.300 -0.163 0.000 1.068 441 M CA 2.273 57.306 55.300 -0.446 0.000 1.109 441 M CB -0.238 32.127 32.600 -0.392 0.000 1.342 441 M HN 0.564 nan 8.290 nan 0.000 0.405 442 Q N 0.234 119.941 119.800 -0.154 0.000 2.077 442 Q HA -0.247 4.093 4.340 0.000 0.000 0.206 442 Q C 1.493 177.449 176.000 -0.074 0.000 0.989 442 Q CA 2.185 57.939 55.803 -0.081 0.000 0.853 442 Q CB -0.179 28.510 28.738 -0.082 0.000 0.907 442 Q HN 0.625 nan 8.270 nan 0.000 0.418 443 N N 0.361 118.978 118.700 -0.138 0.000 2.188 443 N HA -0.136 4.604 4.740 0.000 0.000 0.184 443 N C 1.569 176.973 175.510 -0.177 0.000 1.018 443 N CA 1.071 54.045 53.050 -0.126 0.000 0.858 443 N CB -0.221 38.204 38.487 -0.103 0.000 0.989 443 N HN 0.315 nan 8.380 nan 0.000 0.426 444 E N 0.248 120.256 120.200 -0.320 0.000 2.110 444 E HA -0.126 4.224 4.350 0.000 0.000 0.193 444 E C 1.740 178.160 176.600 -0.300 0.000 0.988 444 E CA 0.757 56.929 56.400 -0.380 0.000 0.804 444 E CB -0.317 29.047 29.700 -0.560 0.000 0.745 444 E HN 0.493 nan 8.360 nan 0.000 0.458 445 Y N 0.860 121.047 120.300 -0.189 0.000 2.242 445 Y HA -0.088 4.462 4.550 0.000 0.000 0.291 445 Y C 2.612 178.443 175.900 -0.115 0.000 1.137 445 Y CA 1.203 59.226 58.100 -0.128 0.000 1.181 445 Y CB -0.058 38.333 38.460 -0.116 0.000 0.989 445 Y HN -0.048 nan 8.280 nan 0.000 0.527 446 R N -0.479 120.027 120.500 0.008 0.000 2.066 446 R HA -0.147 4.193 4.340 0.000 0.000 0.232 446 R C 2.505 178.772 176.300 -0.054 0.000 1.131 446 R CA 1.190 57.275 56.100 -0.027 0.000 0.955 446 R CB -0.591 29.689 30.300 -0.033 0.000 0.851 446 R HN 0.312 nan 8.270 nan 0.000 0.432 447 A N 1.567 124.337 122.820 -0.082 0.000 1.877 447 A HA -0.179 4.141 4.320 0.000 0.000 0.216 447 A C 1.596 179.118 177.584 -0.104 0.000 1.186 447 A CA 1.758 53.744 52.037 -0.086 0.000 0.620 447 A CB -0.174 18.765 19.000 -0.101 0.000 0.822 447 A HN 0.462 nan 8.150 nan 0.000 0.443 448 R N -2.718 117.688 120.500 -0.157 0.000 2.582 448 R HA 0.399 4.739 4.340 0.000 0.000 0.453 448 R C 0.595 176.779 176.300 -0.194 0.000 0.969 448 R CA 0.205 56.212 56.100 -0.155 0.000 1.113 448 R CB -0.911 29.291 30.300 -0.164 0.000 1.507 448 R HN 0.843 nan 8.270 nan 0.000 0.587 449 G N 0.256 108.935 108.800 -0.202 0.000 2.393 449 G HA2 -0.003 3.957 3.960 0.000 0.000 0.299 449 G HA3 -0.003 3.957 3.960 0.000 0.000 0.299 449 G C 0.259 174.865 174.900 -0.490 0.000 0.990 449 G CA 0.425 45.400 45.100 -0.208 0.000 1.118 449 G HN 0.963 nan 8.290 nan 0.000 0.513 450 G N -2.354 105.780 108.800 -1.109 0.000 2.340 450 G HA2 0.565 4.525 3.960 0.000 0.000 0.300 450 G HA3 0.565 4.525 3.960 0.000 0.000 0.300 450 G C -0.843 173.587 174.900 -0.783 0.000 1.488 450 G CA 0.202 44.663 45.100 -1.064 0.000 0.878 450 G HN 1.947 nan 8.290 nan 0.000 0.618 451 C N 2.502 121.578 119.300 -0.372 0.000 3.080 451 C HA 0.579 5.039 4.460 0.000 0.000 0.388 451 C C -2.585 172.309 174.990 -0.159 0.000 1.079 451 C CA -1.046 57.852 59.018 -0.200 0.000 1.289 451 C CB 0.935 28.612 27.740 -0.105 0.000 1.702 451 C HN 0.717 nan 8.230 nan 0.000 0.516 452 P HA 0.352 nan 4.420 nan 0.000 0.263 452 P C -0.538 176.641 177.300 -0.202 0.000 1.195 452 P CA 0.778 63.451 63.100 -0.712 0.000 0.762 452 P CB 0.879 32.082 31.700 -0.828 0.000 0.799 453 A N 2.888 125.658 122.820 -0.084 0.000 2.427 453 A HA 0.384 4.705 4.320 0.000 0.000 0.298 453 A C -0.907 176.737 177.584 0.100 0.000 1.036 453 A CA -0.556 51.530 52.037 0.081 0.000 0.701 453 A CB 1.200 20.360 19.000 0.266 0.000 1.250 453 A HN 0.435 nan 8.150 nan 0.000 0.412 454 D N 2.361 122.819 120.400 0.097 0.000 2.485 454 D HA 0.120 4.760 4.640 0.000 0.000 0.221 454 D C 0.912 177.363 176.300 0.252 0.000 1.112 454 D CA -0.597 53.515 54.000 0.186 0.000 0.911 454 D CB 0.106 40.997 40.800 0.153 0.000 1.019 454 D HN 0.592 nan 8.370 nan 0.000 0.516 455 W N 4.305 125.650 121.300 0.075 0.000 2.275 455 W HA -0.306 4.354 4.660 0.000 0.000 0.321 455 W C 1.712 178.262 176.519 0.052 0.000 1.269 455 W CA 1.612 58.981 57.345 0.041 0.000 1.274 455 W CB -0.160 29.304 29.460 0.007 0.000 1.141 455 W HN 0.477 nan 8.180 nan 0.000 0.493 456 I N -1.341 119.525 120.570 0.493 0.000 2.423 456 I HA -0.301 3.869 4.170 0.000 0.000 0.254 456 I C 1.741 177.968 176.117 0.184 0.000 1.151 456 I CA 1.446 62.968 61.300 0.370 0.000 1.421 456 I CB -0.668 37.569 38.000 0.395 0.000 1.079 456 I HN 0.129 nan 8.210 nan 0.000 0.431 457 W N 0.063 121.357 121.300 -0.011 0.000 2.683 457 W HA 0.169 4.829 4.660 0.000 0.000 0.267 457 W C 2.201 178.621 176.519 -0.164 0.000 1.243 457 W CA 0.129 57.437 57.345 -0.062 0.000 1.380 457 W CB -0.207 29.241 29.460 -0.021 0.000 1.063 457 W HN -0.082 nan 8.180 nan 0.000 0.599 458 L N -0.111 121.083 121.223 -0.049 0.000 2.217 458 L HA -0.008 4.332 4.340 0.000 0.000 0.211 458 L C 0.571 177.249 176.870 -0.321 0.000 1.107 458 L CA 0.390 55.077 54.840 -0.255 0.000 0.783 458 L CB -0.844 40.972 42.059 -0.405 0.000 0.919 458 L HN -0.398 nan 8.230 nan 0.000 0.442 459 V N 1.640 121.288 119.914 -0.444 0.000 2.439 459 V HA 0.130 4.250 4.120 0.000 0.000 0.271 459 V C -1.819 174.102 176.094 -0.288 0.000 1.040 459 V CA -1.401 60.615 62.300 -0.474 0.000 1.002 459 V CB 0.252 31.552 31.823 -0.871 0.000 1.000 459 V HN 0.049 nan 8.190 nan 0.000 0.477 460 P HA 0.006 nan 4.420 nan 0.000 0.268 460 P C -1.711 175.481 177.300 -0.180 0.000 1.189 460 P CA -0.715 62.285 63.100 -0.166 0.000 0.771 460 P CB 0.051 31.707 31.700 -0.074 0.000 0.822 461 P HA -0.055 nan 4.420 nan 0.000 0.239 461 P C -0.085 177.121 177.300 -0.156 0.000 1.184 461 P CA 1.006 63.993 63.100 -0.188 0.000 0.760 461 P CB 0.117 31.689 31.700 -0.213 0.000 0.884 462 V N -6.581 113.231 119.914 -0.170 0.000 3.147 462 V HA 0.562 4.682 4.120 0.000 0.000 0.306 462 V C 0.299 176.373 176.094 -0.034 0.000 1.209 462 V CA -0.748 61.486 62.300 -0.111 0.000 1.023 462 V CB 1.326 33.063 31.823 -0.142 0.000 1.059 462 V HN -0.097 nan 8.190 nan 0.000 0.435 463 S N 0.108 115.817 115.700 0.016 0.000 3.561 463 S HA -0.209 4.261 4.470 0.000 0.000 0.318 463 S C 1.551 176.155 174.600 0.007 0.000 1.181 463 S CA 1.412 59.645 58.200 0.054 0.000 0.916 463 S CB -1.925 61.366 63.200 0.151 0.000 0.966 463 S HN 2.212 nan 8.310 nan 0.000 0.550 464 G N 2.737 111.529 108.800 -0.013 0.000 2.875 464 G HA2 -0.396 3.564 3.960 0.000 0.000 0.227 464 G HA3 -0.396 3.564 3.960 0.000 0.000 0.227 464 G C 1.463 176.283 174.900 -0.134 0.000 1.259 464 G CA 2.145 47.255 45.100 0.016 0.000 0.780 464 G HN 1.485 nan 8.290 nan 0.000 0.685 465 S N 0.222 115.544 115.700 -0.629 0.000 2.547 465 S HA 0.058 4.528 4.470 0.000 0.000 0.235 465 S C 2.070 176.612 174.600 -0.096 0.000 0.980 465 S CA 0.865 58.539 58.200 -0.876 0.000 0.941 465 S CB -0.063 62.455 63.200 -1.136 0.000 0.763 465 S HN 0.261 nan 8.310 nan 0.000 0.532 466 I N 2.875 123.427 120.570 -0.030 0.000 2.928 466 I HA 0.014 4.184 4.170 0.000 0.000 0.266 466 I C 1.451 177.659 176.117 0.152 0.000 1.234 466 I CA 0.720 62.071 61.300 0.085 0.000 1.483 466 I CB -2.020 36.057 38.000 0.130 0.000 1.097 466 I HN 0.498 nan 8.210 nan 0.000 0.455 467 T N -0.898 113.736 114.554 0.132 0.000 2.928 467 T HA 0.319 4.669 4.350 0.000 0.000 0.284 467 T C -1.368 173.488 174.700 0.259 0.000 1.008 467 T CA -1.725 60.466 62.100 0.152 0.000 1.057 467 T CB 2.235 71.140 68.868 0.062 0.000 1.018 467 T HN -0.075 nan 8.240 nan 0.000 0.493 468 P HA -0.045 nan 4.420 nan 0.000 0.219 468 P C 1.700 179.209 177.300 0.348 0.000 1.150 468 P CA 0.452 63.740 63.100 0.313 0.000 0.814 468 P CB -0.126 31.692 31.700 0.196 0.000 0.787 469 V N -0.221 119.840 119.914 0.244 0.000 2.469 469 V HA -0.232 3.888 4.120 0.000 0.000 0.251 469 V C 2.391 178.571 176.094 0.143 0.000 1.064 469 V CA 1.711 64.123 62.300 0.186 0.000 1.066 469 V CB -1.575 30.286 31.823 0.063 0.000 0.667 469 V HN -0.019 nan 8.190 nan 0.000 0.461 470 F N 1.322 121.254 119.950 -0.031 0.000 2.171 470 F HA -0.180 4.347 4.527 0.000 0.000 0.300 470 F C 2.074 177.980 175.800 0.177 0.000 1.090 470 F CA 1.969 59.941 58.000 -0.047 0.000 1.293 470 F CB -0.338 38.536 39.000 -0.210 0.000 1.013 470 F HN 0.359 nan 8.300 nan 0.000 0.486 471 H N -1.361 118.088 119.070 0.632 0.000 2.533 471 H HA 0.176 4.732 4.556 0.000 0.000 0.271 471 H C 0.165 175.761 175.328 0.445 0.000 1.000 471 H CA 0.116 56.492 56.048 0.547 0.000 1.149 471 H CB -0.217 29.819 29.762 0.456 0.000 1.375 471 H HN 0.133 nan 8.280 nan 0.000 0.582 472 Q N 2.057 122.142 119.800 0.476 0.000 2.340 472 Q HA 0.149 4.490 4.340 0.000 0.000 0.259 472 Q C -0.683 175.544 176.000 0.379 0.000 0.964 472 Q CA -0.469 55.555 55.803 0.369 0.000 0.900 472 Q CB 0.566 29.489 28.738 0.309 0.000 1.228 472 Q HN 0.364 nan 8.270 nan 0.000 0.449 473 E N 3.704 124.073 120.200 0.281 0.000 2.383 473 E HA 0.291 4.641 4.350 0.000 0.000 0.264 473 E C -0.441 176.282 176.600 0.205 0.000 1.050 473 E CA 0.243 56.765 56.400 0.203 0.000 0.896 473 E CB 0.829 30.637 29.700 0.180 0.000 0.982 473 E HN 0.602 nan 8.360 nan 0.000 0.424 474 M N 1.761 121.482 119.600 0.200 0.000 2.575 474 M HA 0.357 4.837 4.480 0.000 0.000 0.284 474 M C -1.393 175.015 176.300 0.180 0.000 1.253 474 M CA -1.047 54.388 55.300 0.226 0.000 0.861 474 M CB 1.618 34.400 32.600 0.303 0.000 1.733 474 M HN 0.192 nan 8.290 nan 0.000 0.462 475 L N 2.193 123.536 121.223 0.200 0.000 2.313 475 L HA 0.501 4.841 4.340 0.000 0.000 0.283 475 L C -0.696 176.240 176.870 0.110 0.000 1.013 475 L CA -0.142 54.821 54.840 0.206 0.000 0.816 475 L CB 1.345 43.597 42.059 0.322 0.000 1.236 475 L HN 0.577 nan 8.230 nan 0.000 0.419 476 N N 3.550 122.289 118.700 0.065 0.000 2.444 476 N HA 0.525 5.265 4.740 0.000 0.000 0.262 476 N C -1.626 173.637 175.510 -0.412 0.000 0.974 476 N CA -0.230 52.738 53.050 -0.136 0.000 0.933 476 N CB 0.563 39.097 38.487 0.077 0.000 1.137 476 N HN 0.388 nan 8.380 nan 0.000 0.498 477 Y N -0.053 119.954 120.300 -0.488 0.000 2.571 477 Y HA 0.593 5.143 4.550 0.000 0.000 0.341 477 Y C -1.158 174.460 175.900 -0.470 0.000 1.076 477 Y CA -1.366 56.325 58.100 -0.681 0.000 1.029 477 Y CB 0.657 38.905 38.460 -0.354 0.000 1.308 477 Y HN -0.017 nan 8.280 nan 0.000 0.461 478 V N 4.471 124.176 119.914 -0.348 0.000 2.334 478 V HA 0.320 4.440 4.120 0.000 0.000 0.267 478 V C 0.269 176.195 176.094 -0.281 0.000 1.040 478 V CA -0.384 61.620 62.300 -0.493 0.000 0.866 478 V CB 0.129 31.539 31.823 -0.689 0.000 1.019 478 V HN 0.742 nan 8.190 nan 0.000 0.468 479 L N 2.962 124.092 121.223 -0.154 0.000 2.985 479 L HA 0.714 5.054 4.340 0.000 0.000 0.201 479 L C 0.471 177.319 176.870 -0.037 0.000 1.291 479 L CA -0.357 54.469 54.840 -0.024 0.000 1.141 479 L CB 1.065 43.150 42.059 0.043 0.000 2.131 479 L HN 0.630 nan 8.230 nan 0.000 0.538 480 S N -1.013 114.703 115.700 0.027 0.000 2.543 480 S HA 0.488 4.958 4.470 0.000 0.000 0.273 480 S C -2.733 171.905 174.600 0.062 0.000 1.152 480 S CA -1.027 57.204 58.200 0.052 0.000 0.910 480 S CB 1.749 64.972 63.200 0.038 0.000 1.105 480 S HN 0.159 nan 8.310 nan 0.000 0.465 481 P HA 0.418 nan 4.420 nan 0.000 0.270 481 P C -1.229 176.044 177.300 -0.046 0.000 1.227 481 P CA -0.004 63.063 63.100 -0.055 0.000 0.788 481 P CB 0.188 31.788 31.700 -0.167 0.000 0.926 482 F N 0.318 120.076 119.950 -0.319 0.000 2.693 482 F HA 0.442 4.969 4.527 0.000 0.000 0.309 482 F C -1.673 173.841 175.800 -0.477 0.000 1.129 482 F CA -0.756 56.981 58.000 -0.439 0.000 0.948 482 F CB 1.184 39.912 39.000 -0.454 0.000 1.315 482 F HN 0.147 nan 8.300 nan 0.000 0.447 483 Y N 3.911 123.686 120.300 -0.875 0.000 2.417 483 Y HA 0.460 5.010 4.550 0.000 0.000 0.336 483 Y C -0.968 174.604 175.900 -0.548 0.000 0.961 483 Y CA -0.906 56.894 58.100 -0.499 0.000 1.215 483 Y CB 0.404 38.571 38.460 -0.488 0.000 1.120 483 Y HN 0.362 nan 8.280 nan 0.000 0.499 484 Y N 1.252 121.609 120.300 0.095 0.000 2.432 484 Y HA 0.402 4.952 4.550 0.000 0.000 0.322 484 Y C -0.177 175.744 175.900 0.034 0.000 1.246 484 Y CA -0.943 57.205 58.100 0.080 0.000 1.268 484 Y CB 0.788 39.348 38.460 0.166 0.000 1.276 484 Y HN 0.401 nan 8.280 nan 0.000 0.499 485 Y N 0.169 120.626 120.300 0.262 0.000 2.344 485 Y HA 0.434 4.984 4.550 0.000 0.000 0.330 485 Y C -0.137 175.817 175.900 0.089 0.000 1.330 485 Y CA -1.358 56.809 58.100 0.111 0.000 1.479 485 Y CB 0.599 39.092 38.460 0.055 0.000 1.428 485 Y HN 0.411 nan 8.280 nan 0.000 0.544 486 Q N 0.273 120.179 119.800 0.176 0.000 2.416 486 Q HA 0.416 4.756 4.340 0.000 0.000 0.281 486 Q C -1.357 174.593 176.000 -0.083 0.000 1.067 486 Q CA -1.164 54.657 55.803 0.029 0.000 0.809 486 Q CB 2.705 31.432 28.738 -0.018 0.000 1.418 486 Q HN 0.330 nan 8.270 nan 0.000 0.411 487 I N 2.138 122.633 120.570 -0.125 0.000 2.710 487 I HA -0.046 4.124 4.170 0.000 0.000 0.286 487 I C 0.736 176.624 176.117 -0.383 0.000 1.181 487 I CA 0.351 61.528 61.300 -0.205 0.000 1.430 487 I CB 0.035 37.930 38.000 -0.174 0.000 1.367 487 I HN 0.540 nan 8.210 nan 0.000 0.577 488 E N 8.787 128.661 120.200 -0.544 0.000 2.694 488 E HA -0.072 4.278 4.350 0.000 0.000 0.250 488 E C -1.310 174.626 176.600 -1.107 0.000 0.963 488 E CA -1.050 54.717 56.400 -1.054 0.000 0.949 488 E CB 0.218 29.057 29.700 -1.435 0.000 0.911 488 E HN 0.385 nan 8.360 nan 0.000 0.500 489 P HA -0.187 nan 4.420 nan 0.000 0.216 489 P C 1.133 177.861 177.300 -0.953 0.000 1.150 489 P CA 1.565 64.038 63.100 -1.045 0.000 0.843 489 P CB -0.223 30.590 31.700 -1.478 0.000 0.787 490 W N 0.813 121.598 121.300 -0.858 0.000 2.961 490 W HA 0.180 4.840 4.660 0.000 0.000 0.240 490 W C 1.463 178.009 176.519 0.044 0.000 1.305 490 W CA 0.289 57.472 57.345 -0.271 0.000 1.465 490 W CB -1.287 28.206 29.460 0.056 0.000 1.135 490 W HN -0.079 nan 8.180 nan 0.000 0.688 491 K N 0.141 120.426 120.400 -0.192 0.000 2.352 491 K HA 0.083 4.403 4.320 0.000 0.000 0.194 491 K C 1.662 178.267 176.600 0.007 0.000 1.038 491 K CA 1.399 57.676 56.287 -0.017 0.000 1.023 491 K CB 0.146 32.557 32.500 -0.148 0.000 0.840 491 K HN 0.286 nan 8.250 nan 0.000 0.519 492 T N -3.223 111.303 114.554 -0.047 0.000 2.975 492 T HA 0.045 4.395 4.350 0.000 0.000 0.261 492 T C 0.351 175.073 174.700 0.037 0.000 0.984 492 T CA -0.349 61.742 62.100 -0.016 0.000 0.911 492 T CB -0.237 68.587 68.868 -0.075 0.000 1.127 492 T HN 0.053 nan 8.240 nan 0.000 0.514 493 H N 1.758 120.804 119.070 -0.041 0.000 3.034 493 H HA 0.336 4.892 4.556 0.000 0.000 0.324 493 H C -0.235 175.093 175.328 0.000 0.000 1.015 493 H CA -0.577 55.438 56.048 -0.055 0.000 1.429 493 H CB 0.045 29.757 29.762 -0.083 0.000 1.429 493 H HN 0.330 nan 8.280 nan 0.000 0.585 494 I N 6.580 126.787 120.570 -0.605 0.000 2.287 494 I HA 0.048 4.218 4.170 0.000 0.000 0.290 494 I C -0.138 175.618 176.117 -0.601 0.000 1.069 494 I CA -0.465 60.616 61.300 -0.365 0.000 1.237 494 I CB 0.047 37.914 38.000 -0.221 0.000 1.418 494 I HN 0.517 nan 8.210 nan 0.000 0.481 495 W N 5.098 126.236 121.300 -0.270 0.000 2.034 495 W HA 0.117 4.777 4.660 0.000 0.000 0.357 495 W C 1.379 177.868 176.519 -0.050 0.000 1.326 495 W CA 0.024 57.323 57.345 -0.076 0.000 1.318 495 W CB 0.334 29.854 29.460 0.100 0.000 1.193 495 W HN 0.479 nan 8.180 nan 0.000 0.620 496 Q N 0.253 120.228 119.800 0.292 0.000 2.369 496 Q HA 0.188 4.528 4.340 0.000 0.000 0.254 496 Q C 0.627 176.727 176.000 0.166 0.000 0.858 496 Q CA 0.631 56.531 55.803 0.162 0.000 0.961 496 Q CB 0.377 29.179 28.738 0.106 0.000 1.119 496 Q HN 0.598 nan 8.270 nan 0.000 0.538 497 N N 0.000 118.840 118.700 0.233 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.134 53.050 0.140 0.000 0.885 497 N CB 0.000 38.547 38.487 0.100 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667