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 1qom_1_B 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 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 0.000 176.188 176.000 0.313 0.000 1.003 77 Q CA 0.000 55.849 55.803 0.077 0.000 1.022 77 Q CB 0.000 28.652 28.738 -0.143 0.000 1.108 78 Y N -1.119 119.315 120.300 0.223 0.000 2.609 78 Y HA 0.784 5.334 4.550 0.000 0.000 0.336 78 Y C -1.418 174.550 175.900 0.113 0.000 1.129 78 Y CA -1.521 56.723 58.100 0.239 0.000 1.040 78 Y CB 0.896 39.450 38.460 0.157 0.000 1.310 78 Y HN 0.130 nan 8.280 nan 0.000 0.460 79 V N 3.215 123.338 119.914 0.348 0.000 2.427 79 V HA 0.509 4.629 4.120 0.000 0.000 0.286 79 V C -0.015 176.236 176.094 0.261 0.000 1.034 79 V CA -0.842 61.543 62.300 0.142 0.000 0.893 79 V CB 1.332 33.029 31.823 -0.210 0.000 0.982 79 V HN 0.792 nan 8.190 nan 0.000 0.452 80 R N 4.415 125.076 120.500 0.269 0.000 2.216 80 R HA 0.579 4.919 4.340 0.000 0.000 0.332 80 R C -0.997 175.339 176.300 0.060 0.000 1.056 80 R CA -0.171 56.069 56.100 0.232 0.000 0.901 80 R CB 0.420 30.885 30.300 0.275 0.000 1.039 80 R HN 0.671 nan 8.270 nan 0.000 0.456 81 I N 3.741 124.295 120.570 -0.027 0.000 2.509 81 I HA 0.347 4.517 4.170 0.000 0.000 0.293 81 I C -0.405 175.632 176.117 -0.133 0.000 1.020 81 I CA -0.785 60.479 61.300 -0.059 0.000 1.088 81 I CB 2.128 40.091 38.000 -0.061 0.000 1.267 81 I HN 0.483 nan 8.210 nan 0.000 0.430 82 K N 5.045 125.349 120.400 -0.161 0.000 2.375 82 K HA 0.353 4.673 4.320 0.000 0.000 0.249 82 K C -1.022 175.368 176.600 -0.351 0.000 0.942 82 K CA -0.738 55.349 56.287 -0.334 0.000 0.806 82 K CB 1.785 33.939 32.500 -0.575 0.000 1.227 82 K HN 0.535 nan 8.250 nan 0.000 0.430 83 N N 3.687 122.182 118.700 -0.340 0.000 2.469 83 N HA 0.088 4.828 4.740 0.000 0.000 0.253 83 N C -0.069 175.286 175.510 -0.258 0.000 0.970 83 N CA -0.317 52.616 53.050 -0.194 0.000 0.940 83 N CB 0.465 38.892 38.487 -0.100 0.000 1.128 83 N HN 0.669 nan 8.380 nan 0.000 0.503 84 W N 2.434 123.743 121.300 0.014 0.000 2.468 84 W HA 0.079 4.739 4.660 0.000 0.000 0.262 84 W C 2.038 178.569 176.519 0.020 0.000 1.241 84 W CA 0.449 57.806 57.345 0.021 0.000 1.232 84 W CB 0.294 29.768 29.460 0.024 0.000 1.124 84 W HN 0.670 nan 8.180 nan 0.000 0.597 85 G N -2.140 106.756 108.800 0.160 0.000 2.921 85 G HA2 -0.045 3.915 3.960 0.000 0.000 0.213 85 G HA3 -0.045 3.915 3.960 0.000 0.000 0.213 85 G C 1.326 176.258 174.900 0.054 0.000 1.143 85 G CA 0.789 45.956 45.100 0.111 0.000 0.764 85 G HN 0.192 nan 8.290 nan 0.000 0.542 86 S N -1.005 114.701 115.700 0.009 0.000 2.527 86 S HA 0.363 4.833 4.470 0.000 0.000 0.227 86 S C 1.993 176.562 174.600 -0.052 0.000 1.059 86 S CA 1.314 59.502 58.200 -0.019 0.000 0.919 86 S CB -0.083 63.097 63.200 -0.035 0.000 0.805 86 S HN 1.243 nan 8.310 nan 0.000 0.500 87 G N 1.473 110.206 108.800 -0.112 0.000 2.234 87 G HA2 -0.282 3.678 3.960 0.000 0.000 0.260 87 G HA3 -0.282 3.678 3.960 0.000 0.000 0.260 87 G C -0.038 174.755 174.900 -0.179 0.000 0.987 87 G CA 0.512 45.513 45.100 -0.164 0.000 0.625 87 G HN 0.662 nan 8.290 nan 0.000 0.532 88 E N 0.626 120.738 120.200 -0.147 0.000 2.414 88 E HA 0.379 4.729 4.350 0.000 0.000 0.263 88 E C 0.377 176.860 176.600 -0.196 0.000 1.000 88 E CA -0.158 56.157 56.400 -0.142 0.000 0.914 88 E CB 0.141 29.774 29.700 -0.111 0.000 0.948 88 E HN 0.459 nan 8.360 nan 0.000 0.444 89 I N 4.956 125.403 120.570 -0.205 0.000 2.493 89 I HA 0.363 4.534 4.170 0.000 0.000 0.298 89 I C -0.269 175.610 176.117 -0.396 0.000 0.998 89 I CA -0.825 60.315 61.300 -0.267 0.000 1.137 89 I CB 1.238 39.109 38.000 -0.215 0.000 1.310 89 I HN 0.382 nan 8.210 nan 0.000 0.445 90 L N 4.589 125.548 121.223 -0.441 0.000 2.371 90 L HA 0.506 4.846 4.340 0.000 0.000 0.262 90 L C -1.212 175.308 176.870 -0.584 0.000 1.006 90 L CA -0.785 53.757 54.840 -0.498 0.000 0.818 90 L CB 2.260 44.170 42.059 -0.248 0.000 1.354 90 L HN 0.589 nan 8.230 nan 0.000 0.415 91 H N 0.207 119.129 119.070 -0.247 0.000 2.708 91 H HA 0.203 4.759 4.556 0.000 0.000 0.320 91 H C -1.064 174.155 175.328 -0.181 0.000 0.991 91 H CA -0.710 55.103 56.048 -0.391 0.000 1.243 91 H CB 1.644 30.823 29.762 -0.972 0.000 1.446 91 H HN 0.370 nan 8.280 nan 0.000 0.502 92 D N 2.574 122.994 120.400 0.033 0.000 2.336 92 D HA -0.017 4.623 4.640 0.000 0.000 0.249 92 D C 0.972 177.429 176.300 0.263 0.000 1.213 92 D CA 0.158 54.199 54.000 0.068 0.000 0.870 92 D CB 1.170 41.939 40.800 -0.053 0.000 1.076 92 D HN 0.746 nan 8.370 nan 0.000 0.483 93 T N 1.343 116.053 114.554 0.260 0.000 2.990 93 T HA -0.037 4.313 4.350 0.000 0.000 0.250 93 T C 1.869 176.730 174.700 0.269 0.000 1.041 93 T CA -0.132 62.167 62.100 0.333 0.000 1.010 93 T CB 0.017 69.016 68.868 0.218 0.000 1.003 93 T HN 0.260 nan 8.240 nan 0.000 0.499 94 L N 2.285 123.623 121.223 0.191 0.000 2.201 94 L HA 0.050 4.390 4.340 0.000 0.000 0.212 94 L C 2.351 179.261 176.870 0.067 0.000 1.105 94 L CA 2.165 57.069 54.840 0.107 0.000 0.775 94 L CB -0.674 41.425 42.059 0.068 0.000 0.913 94 L HN 0.681 nan 8.230 nan 0.000 0.440 95 H N -3.853 115.173 119.070 -0.072 0.000 2.518 95 H HA -0.195 4.361 4.556 0.000 0.000 0.294 95 H C 1.750 176.987 175.328 -0.150 0.000 1.083 95 H CA 1.772 57.735 56.048 -0.142 0.000 1.264 95 H CB -0.700 28.945 29.762 -0.196 0.000 1.370 95 H HN 0.516 nan 8.280 nan 0.000 0.560 96 H N 0.893 119.702 119.070 -0.436 0.000 2.428 96 H HA 0.058 4.614 4.556 0.000 0.000 0.296 96 H C 1.206 176.450 175.328 -0.140 0.000 1.062 96 H CA 0.995 56.845 56.048 -0.330 0.000 1.350 96 H CB 0.253 29.838 29.762 -0.294 0.000 1.403 96 H HN 0.358 nan 8.280 nan 0.000 0.533 97 K N 1.042 121.451 120.400 0.015 0.000 2.589 97 K HA 0.208 4.528 4.320 0.000 0.000 0.204 97 K C 0.295 176.893 176.600 -0.003 0.000 1.029 97 K CA -0.217 56.077 56.287 0.012 0.000 1.177 97 K CB 0.455 32.965 32.500 0.016 0.000 0.902 97 K HN 0.191 nan 8.250 nan 0.000 0.501 98 A N 0.666 123.476 122.820 -0.017 0.000 2.406 98 A HA 0.108 4.428 4.320 0.000 0.000 0.243 98 A C 1.074 178.657 177.584 -0.002 0.000 1.082 98 A CA -0.192 51.832 52.037 -0.022 0.000 0.786 98 A CB 0.359 19.337 19.000 -0.036 0.000 1.029 98 A HN 0.190 nan 8.150 nan 0.000 0.495 99 T N 0.396 114.954 114.554 0.006 0.000 2.995 99 T HA 0.104 4.454 4.350 0.000 0.000 0.216 99 T C 1.511 176.228 174.700 0.029 0.000 1.000 99 T CA 1.359 63.471 62.100 0.020 0.000 2.118 99 T CB -0.319 68.567 68.868 0.029 0.000 1.401 99 T HN 0.685 nan 8.240 nan 0.000 0.389 100 S N -0.452 115.275 115.700 0.044 0.000 4.355 100 S HA 0.294 4.764 4.470 0.000 0.000 0.201 100 S C -1.154 173.489 174.600 0.071 0.000 1.044 100 S CA -0.549 57.679 58.200 0.048 0.000 1.777 100 S CB -0.107 63.119 63.200 0.042 0.000 0.797 100 S HN 0.373 nan 8.310 nan 0.000 0.774 101 D N 1.027 121.475 120.400 0.079 0.000 2.225 101 D HA 0.391 5.031 4.640 0.000 0.000 0.248 101 D C -0.217 176.187 176.300 0.174 0.000 1.096 101 D CA -0.255 53.809 54.000 0.106 0.000 0.863 101 D CB 0.871 41.710 40.800 0.065 0.000 1.156 101 D HN 0.177 nan 8.370 nan 0.000 0.450 102 F N 1.363 121.318 119.950 0.008 0.000 2.270 102 F HA 0.086 4.614 4.527 0.000 0.000 0.189 102 F C 1.833 177.634 175.800 0.002 0.000 0.694 102 F CA -0.183 57.821 58.000 0.005 0.000 1.083 102 F CB -0.644 38.361 39.000 0.009 0.000 2.229 102 F HN 0.266 nan 8.300 nan 0.000 0.686 103 T N 0.005 114.204 114.554 -0.591 0.000 3.269 103 T HA -0.220 4.130 4.350 0.000 0.000 0.216 103 T C 1.852 176.467 174.700 -0.142 0.000 1.111 103 T CA 1.287 63.129 62.100 -0.430 0.000 2.053 103 T CB -1.280 67.286 68.868 -0.503 0.000 1.224 103 T HN 0.651 nan 8.240 nan 0.000 0.352 104 C N 1.001 120.252 119.300 -0.080 0.000 2.495 104 C HA 0.305 4.765 4.460 0.000 0.000 0.275 104 C C 1.088 176.092 174.990 0.023 0.000 1.392 104 C CA 0.029 59.034 59.018 -0.022 0.000 1.766 104 C CB -0.976 26.757 27.740 -0.011 0.000 1.933 104 C HN 0.479 nan 8.230 nan 0.000 0.519 105 K N 0.219 120.660 120.400 0.068 0.000 2.139 105 K HA 0.422 4.742 4.320 0.000 0.000 0.243 105 K C 0.842 177.545 176.600 0.171 0.000 0.983 105 K CA 0.031 56.387 56.287 0.115 0.000 0.890 105 K CB 1.296 33.879 32.500 0.138 0.000 1.090 105 K HN 0.169 nan 8.250 nan 0.000 0.445 106 S N 1.582 117.361 115.700 0.133 0.000 2.315 106 S HA -0.053 4.417 4.470 0.000 0.000 0.196 106 S C 0.538 175.212 174.600 0.122 0.000 1.045 106 S CA 1.020 59.294 58.200 0.124 0.000 1.055 106 S CB -0.415 62.831 63.200 0.076 0.000 0.963 106 S HN 0.679 nan 8.310 nan 0.000 0.439 107 K N 0.917 121.358 120.400 0.068 0.000 2.627 107 K HA 0.410 4.730 4.320 0.000 0.000 0.212 107 K C -0.412 176.175 176.600 -0.022 0.000 1.041 107 K CA 0.022 56.318 56.287 0.015 0.000 1.205 107 K CB 0.136 32.645 32.500 0.015 0.000 0.936 107 K HN 0.095 nan 8.250 nan 0.000 0.489 108 S N -0.348 115.337 115.700 -0.024 0.000 2.799 108 S HA 0.027 4.497 4.470 0.000 0.000 0.303 108 S C -1.977 172.685 174.600 0.103 0.000 0.835 108 S CA -0.938 57.221 58.200 -0.068 0.000 0.783 108 S CB 0.779 63.950 63.200 -0.048 0.000 0.985 108 S HN 0.383 nan 8.310 nan 0.000 0.507 109 C N 6.605 126.000 119.300 0.159 0.000 2.250 109 C HA 0.536 4.996 4.460 0.000 0.000 0.319 109 C C 0.727 175.802 174.990 0.141 0.000 1.124 109 C CA -0.525 58.656 59.018 0.271 0.000 1.527 109 C CB -1.700 26.332 27.740 0.487 0.000 2.001 109 C HN 0.756 nan 8.230 nan 0.000 0.435 110 L N 5.238 126.517 121.223 0.094 0.000 2.862 110 L HA 0.255 4.595 4.340 0.000 0.000 0.240 110 L C 1.976 178.902 176.870 0.092 0.000 1.283 110 L CA 0.225 55.106 54.840 0.069 0.000 1.117 110 L CB -0.651 41.433 42.059 0.043 0.000 1.444 110 L HN 0.892 nan 8.230 nan 0.000 0.456 111 G N -0.581 108.287 108.800 0.113 0.000 2.509 111 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 111 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 111 G C 1.613 176.604 174.900 0.152 0.000 1.124 111 G CA 0.851 46.026 45.100 0.124 0.000 0.776 111 G HN 0.440 nan 8.290 nan 0.000 0.547 112 S N -0.297 115.488 115.700 0.141 0.000 2.558 112 S HA 0.217 4.687 4.470 0.000 0.000 0.217 112 S C 0.914 175.621 174.600 0.178 0.000 0.975 112 S CA -0.533 57.765 58.200 0.163 0.000 0.912 112 S CB -0.192 63.085 63.200 0.129 0.000 0.776 112 S HN 0.047 nan 8.310 nan 0.000 0.526 113 I N 2.612 123.271 120.570 0.148 0.000 2.471 113 I HA 0.116 4.286 4.170 0.000 0.000 0.286 113 I C 1.232 177.451 176.117 0.170 0.000 1.079 113 I CA 0.246 61.638 61.300 0.153 0.000 1.398 113 I CB 0.757 38.817 38.000 0.099 0.000 1.403 113 I HN 0.383 nan 8.210 nan 0.000 0.530 114 M N 5.617 125.353 119.600 0.226 0.000 2.123 114 M HA -0.022 4.458 4.480 0.000 0.000 0.263 114 M C 0.510 176.790 176.300 -0.033 0.000 1.069 114 M CA 1.605 57.006 55.300 0.169 0.000 1.133 114 M CB 0.209 32.891 32.600 0.137 0.000 1.356 114 M HN 0.485 nan 8.290 nan 0.000 0.415 115 N N 1.464 120.146 118.700 -0.030 0.000 2.914 115 N HA 0.327 5.067 4.740 0.000 0.000 0.304 115 N C -2.514 172.944 175.510 -0.087 0.000 1.727 115 N CA -0.873 52.049 53.050 -0.213 0.000 0.986 115 N CB 0.286 38.671 38.487 -0.169 0.000 1.297 115 N HN 0.307 nan 8.380 nan 0.000 0.490 116 P HA 0.172 nan 4.420 nan 0.000 0.275 116 P C 0.551 177.868 177.300 0.028 0.000 1.227 116 P CA -0.242 62.866 63.100 0.013 0.000 0.781 116 P CB 1.862 33.583 31.700 0.034 0.000 0.906 117 K N 0.850 121.271 120.400 0.035 0.000 2.281 117 K HA -0.091 4.229 4.320 0.000 0.000 0.203 117 K C 1.860 178.508 176.600 0.080 0.000 1.046 117 K CA 1.712 58.027 56.287 0.047 0.000 0.938 117 K CB -0.246 32.271 32.500 0.028 0.000 0.737 117 K HN 0.552 nan 8.250 nan 0.000 0.458 118 S N 0.161 115.909 115.700 0.080 0.000 2.515 118 S HA -0.029 4.441 4.470 0.000 0.000 0.231 118 S C 1.335 176.029 174.600 0.157 0.000 0.987 118 S CA 0.569 58.826 58.200 0.094 0.000 0.936 118 S CB 0.102 63.338 63.200 0.059 0.000 0.766 118 S HN 0.083 nan 8.310 nan 0.000 0.528 119 L N 1.328 122.670 121.223 0.198 0.000 2.959 119 L HA 0.451 4.791 4.340 0.000 0.000 0.259 119 L C -0.015 177.157 176.870 0.504 0.000 1.185 119 L CA 0.428 55.456 54.840 0.312 0.000 0.998 119 L CB 0.487 42.707 42.059 0.268 0.000 1.337 119 L HN 0.180 nan 8.230 nan 0.000 0.555 120 T N -0.734 114.050 114.554 0.383 0.000 2.885 120 T HA 0.566 4.916 4.350 0.000 0.000 0.285 120 T C -0.420 174.394 174.700 0.190 0.000 1.019 120 T CA -0.511 61.778 62.100 0.315 0.000 1.010 120 T CB 2.433 71.385 68.868 0.141 0.000 1.022 120 T HN -0.184 nan 8.240 nan 0.000 0.466 121 R N 1.359 121.918 120.500 0.099 0.000 2.513 121 R HA 0.526 4.866 4.340 0.000 0.000 0.283 121 R C 0.476 176.756 176.300 -0.034 0.000 1.535 121 R CA -0.412 55.630 56.100 -0.096 0.000 1.315 121 R CB 0.103 30.220 30.300 -0.305 0.000 1.163 121 R HN 0.864 nan 8.270 nan 0.000 0.573 122 G N 2.728 111.507 108.800 -0.035 0.000 2.529 122 G HA2 0.222 4.182 3.960 0.000 0.000 0.277 122 G HA3 0.222 4.182 3.960 0.000 0.000 0.277 122 G C -1.875 172.997 174.900 -0.046 0.000 1.383 122 G CA -0.762 44.315 45.100 -0.039 0.000 1.050 122 G HN 0.414 nan 8.290 nan 0.000 0.526 123 P HA 0.449 nan 4.420 nan 0.000 0.275 123 P C -0.092 177.183 177.300 -0.043 0.000 1.270 123 P CA -0.154 62.918 63.100 -0.047 0.000 0.791 123 P CB 0.536 32.201 31.700 -0.059 0.000 1.089 124 R N -0.821 119.656 120.500 -0.040 0.000 2.844 124 R HA 0.400 4.740 4.340 0.000 0.000 0.264 124 R C -0.429 175.844 176.300 -0.044 0.000 1.077 124 R CA -0.441 55.635 56.100 -0.039 0.000 0.953 124 R CB 0.909 31.188 30.300 -0.034 0.000 1.272 124 R HN 0.297 nan 8.270 nan 0.000 0.447 125 D N -0.675 119.699 120.400 -0.044 0.000 2.097 125 D HA 0.148 4.788 4.640 0.000 0.000 0.325 125 D C -0.732 175.539 176.300 -0.048 0.000 1.087 125 D CA 0.551 54.520 54.000 -0.051 0.000 0.917 125 D CB 0.854 41.627 40.800 -0.046 0.000 1.784 125 D HN 0.154 nan 8.370 nan 0.000 0.532 126 K N 1.201 121.579 120.400 -0.036 0.000 2.203 126 K HA 0.559 4.879 4.320 0.000 0.000 0.251 126 K C -2.714 173.873 176.600 -0.020 0.000 0.944 126 K CA -1.688 54.582 56.287 -0.027 0.000 0.829 126 K CB 2.131 34.618 32.500 -0.022 0.000 1.125 126 K HN -0.215 nan 8.250 nan 0.000 0.430 127 P HA -0.075 nan 4.420 nan 0.000 0.269 127 P C -0.462 176.836 177.300 -0.003 0.000 1.215 127 P CA -0.184 62.915 63.100 -0.003 0.000 0.780 127 P CB 0.414 32.119 31.700 0.009 0.000 0.898 128 T N 3.976 118.531 114.554 0.002 0.000 2.708 128 T HA 0.064 4.414 4.350 0.000 0.000 0.271 128 T C -1.938 172.763 174.700 0.002 0.000 0.985 128 T CA -1.353 60.751 62.100 0.006 0.000 1.229 128 T CB -0.977 67.906 68.868 0.024 0.000 0.934 128 T HN 0.212 nan 8.240 nan 0.000 0.522 129 P HA -0.075 nan 4.420 nan 0.000 0.260 129 P C 1.566 178.849 177.300 -0.028 0.000 1.172 129 P CA -0.439 62.650 63.100 -0.018 0.000 0.760 129 P CB 0.500 32.186 31.700 -0.024 0.000 0.773 130 L N 3.335 124.544 121.223 -0.024 0.000 2.058 130 L HA -0.250 4.090 4.340 0.000 0.000 0.226 130 L C 2.571 179.407 176.870 -0.056 0.000 1.089 130 L CA 2.594 57.414 54.840 -0.033 0.000 0.799 130 L CB -1.188 40.856 42.059 -0.026 0.000 0.900 130 L HN 0.559 nan 8.230 nan 0.000 0.442 131 E N 0.548 120.714 120.200 -0.058 0.000 2.118 131 E HA -0.266 4.084 4.350 0.000 0.000 0.195 131 E C 1.572 178.099 176.600 -0.121 0.000 0.992 131 E CA 1.914 58.270 56.400 -0.074 0.000 0.804 131 E CB -0.392 29.272 29.700 -0.059 0.000 0.741 131 E HN 0.839 nan 8.360 nan 0.000 0.458 132 E N 0.455 120.565 120.200 -0.150 0.000 2.307 132 E HA 0.014 4.364 4.350 0.000 0.000 0.195 132 E C 2.295 178.659 176.600 -0.393 0.000 0.975 132 E CA 0.070 56.291 56.400 -0.298 0.000 0.878 132 E CB -0.349 29.213 29.700 -0.230 0.000 0.845 132 E HN 0.185 nan 8.360 nan 0.000 0.488 133 L N 1.045 122.177 121.223 -0.152 0.000 2.156 133 L HA -0.009 4.331 4.340 0.000 0.000 0.208 133 L C 2.036 178.883 176.870 -0.039 0.000 1.095 133 L CA 1.098 55.920 54.840 -0.030 0.000 0.770 133 L CB -0.230 41.844 42.059 0.024 0.000 0.914 133 L HN 0.234 nan 8.230 nan 0.000 0.439 134 L N 0.330 121.501 121.223 -0.086 0.000 2.027 134 L HA -0.041 4.299 4.340 0.000 0.000 0.206 134 L C -0.229 176.604 176.870 -0.062 0.000 1.074 134 L CA 1.981 56.767 54.840 -0.090 0.000 0.745 134 L CB -2.126 39.885 42.059 -0.081 0.000 0.898 134 L HN 0.240 nan 8.230 nan 0.000 0.433 135 P HA -0.078 nan 4.420 nan 0.000 0.220 135 P C 1.226 178.586 177.300 0.100 0.000 1.152 135 P CA 1.075 64.164 63.100 -0.019 0.000 0.812 135 P CB -0.010 31.649 31.700 -0.068 0.000 0.792 136 H N -0.100 118.995 119.070 0.042 0.000 2.326 136 H HA 0.028 4.584 4.556 0.000 0.000 0.301 136 H C 2.016 177.426 175.328 0.135 0.000 1.081 136 H CA 1.447 57.545 56.048 0.083 0.000 1.334 136 H CB -1.126 28.681 29.762 0.075 0.000 1.385 136 H HN 0.005 nan 8.280 nan 0.000 0.504 137 A N 1.106 124.062 122.820 0.226 0.000 1.865 137 A HA -0.140 4.180 4.320 0.000 0.000 0.217 137 A C 2.644 180.329 177.584 0.169 0.000 1.191 137 A CA 1.710 53.847 52.037 0.167 0.000 0.623 137 A CB -0.921 17.934 19.000 -0.241 0.000 0.826 137 A HN 0.351 nan 8.150 nan 0.000 0.444 138 I N -0.453 120.165 120.570 0.080 0.000 2.361 138 I HA -0.250 3.920 4.170 0.000 0.000 0.251 138 I C 2.511 178.701 176.117 0.121 0.000 1.133 138 I CA 1.727 63.072 61.300 0.075 0.000 1.413 138 I CB -0.441 37.580 38.000 0.035 0.000 1.073 138 I HN 0.465 nan 8.210 nan 0.000 0.424 139 E N 1.950 122.246 120.200 0.160 0.000 2.023 139 E HA -0.301 4.049 4.350 0.000 0.000 0.196 139 E C 2.097 178.813 176.600 0.195 0.000 1.003 139 E CA 1.831 58.333 56.400 0.169 0.000 0.809 139 E CB -0.651 29.167 29.700 0.197 0.000 0.755 139 E HN 0.398 nan 8.360 nan 0.000 0.449 140 F N 1.050 121.076 119.950 0.126 0.000 2.120 140 F HA -0.141 4.386 4.527 0.000 0.000 0.300 140 F C 2.014 177.883 175.800 0.115 0.000 1.095 140 F CA 1.844 59.929 58.000 0.141 0.000 1.249 140 F CB -0.459 38.642 39.000 0.168 0.000 0.995 140 F HN 0.120 nan 8.300 nan 0.000 0.480 141 I N 0.509 120.948 120.570 -0.219 0.000 2.286 141 I HA -0.319 3.851 4.170 0.000 0.000 0.248 141 I C 2.117 178.165 176.117 -0.115 0.000 1.115 141 I CA 1.355 62.493 61.300 -0.270 0.000 1.392 141 I CB -0.727 37.279 38.000 0.010 0.000 1.065 141 I HN 0.259 nan 8.210 nan 0.000 0.418 142 N N 0.450 119.147 118.700 -0.004 0.000 2.331 142 N HA -0.190 4.550 4.740 0.000 0.000 0.180 142 N C 1.871 177.320 175.510 -0.101 0.000 1.019 142 N CA 0.915 53.987 53.050 0.038 0.000 0.881 142 N CB -0.010 38.564 38.487 0.145 0.000 0.972 142 N HN 0.527 nan 8.380 nan 0.000 0.435 143 Q N 0.063 119.796 119.800 -0.113 0.000 2.049 143 Q HA -0.168 4.172 4.340 0.000 0.000 0.198 143 Q C 1.972 177.749 176.000 -0.371 0.000 0.971 143 Q CA 1.028 56.770 55.803 -0.103 0.000 0.833 143 Q CB -0.139 28.648 28.738 0.083 0.000 0.896 143 Q HN 0.338 nan 8.270 nan 0.000 0.434 144 Y N 0.066 119.863 120.300 -0.838 0.000 2.030 144 Y HA -0.332 4.218 4.550 0.000 0.000 0.274 144 Y C 1.713 176.836 175.900 -1.295 0.000 1.153 144 Y CA 2.237 59.480 58.100 -1.427 0.000 1.115 144 Y CB -0.582 37.038 38.460 -1.401 0.000 0.969 144 Y HN 0.202 nan 8.280 nan 0.000 0.488 145 Y N -0.118 119.749 120.300 -0.721 0.000 2.497 145 Y HA -0.023 4.527 4.550 0.000 0.000 0.292 145 Y C 2.463 177.963 175.900 -0.668 0.000 1.137 145 Y CA 1.100 58.758 58.100 -0.738 0.000 1.285 145 Y CB -0.679 37.422 38.460 -0.598 0.000 0.991 145 Y HN 0.276 nan 8.280 nan 0.000 0.556 146 G N -1.442 107.089 108.800 -0.448 0.000 2.712 146 G HA2 -0.119 3.841 3.960 0.000 0.000 0.212 146 G HA3 -0.119 3.841 3.960 0.000 0.000 0.212 146 G C 1.709 176.442 174.900 -0.279 0.000 1.142 146 G CA 0.752 45.706 45.100 -0.242 0.000 0.789 146 G HN 0.454 nan 8.290 nan 0.000 0.535 147 S N 1.177 116.546 115.700 -0.550 0.000 2.335 147 S HA 0.107 4.577 4.470 0.000 0.000 0.217 147 S C 1.091 175.546 174.600 -0.241 0.000 1.032 147 S CA 0.132 58.109 58.200 -0.370 0.000 0.985 147 S CB -0.652 62.347 63.200 -0.335 0.000 0.896 147 S HN 0.286 nan 8.310 nan 0.000 0.445 148 F N 2.110 121.964 119.950 -0.161 0.000 2.496 148 F HA 0.549 5.076 4.527 0.000 0.000 0.344 148 F C 1.576 177.343 175.800 -0.054 0.000 1.155 148 F CA -1.966 55.972 58.000 -0.103 0.000 1.302 148 F CB 0.120 39.032 39.000 -0.147 0.000 1.159 148 F HN 0.118 nan 8.300 nan 0.000 0.595 149 K N 0.823 121.353 120.400 0.217 0.000 1.990 149 K HA -0.210 4.110 4.320 0.000 0.000 0.225 149 K C 0.321 176.983 176.600 0.104 0.000 1.053 149 K CA 2.247 58.604 56.287 0.116 0.000 0.982 149 K CB -0.307 32.232 32.500 0.065 0.000 0.734 149 K HN 0.893 nan 8.250 nan 0.000 0.448 150 E N 1.063 121.294 120.200 0.052 0.000 2.014 150 E HA 0.337 4.687 4.350 0.000 0.000 0.275 150 E C -1.098 175.517 176.600 0.024 0.000 0.997 150 E CA -0.458 55.960 56.400 0.029 0.000 0.804 150 E CB 1.345 31.039 29.700 -0.009 0.000 1.090 150 E HN 0.346 nan 8.360 nan 0.000 0.401 151 A N 4.498 127.393 122.820 0.125 0.000 2.567 151 A HA -0.041 4.280 4.320 0.000 0.000 0.240 151 A C 0.287 177.937 177.584 0.110 0.000 1.053 151 A CA -0.027 52.135 52.037 0.207 0.000 0.755 151 A CB 0.026 19.158 19.000 0.220 0.000 0.978 151 A HN 0.594 nan 8.150 nan 0.000 0.507 152 K N 3.911 124.391 120.400 0.133 0.000 2.502 152 K HA 0.216 4.536 4.320 0.000 0.000 0.244 152 K C 0.685 177.335 176.600 0.084 0.000 1.249 152 K CA -0.137 56.193 56.287 0.070 0.000 1.193 152 K CB -0.108 32.431 32.500 0.066 0.000 1.674 152 K HN 0.740 nan 8.250 nan 0.000 0.302 153 I N 1.009 121.627 120.570 0.080 0.000 2.121 153 I HA -0.436 3.734 4.170 0.000 0.000 0.243 153 I C 2.557 178.666 176.117 -0.014 0.000 1.047 153 I CA 1.709 63.045 61.300 0.061 0.000 1.308 153 I CB -0.186 37.835 38.000 0.035 0.000 1.015 153 I HN 0.608 nan 8.210 nan 0.000 0.410 154 E N 0.979 121.165 120.200 -0.023 0.000 2.058 154 E HA -0.259 4.091 4.350 0.000 0.000 0.194 154 E C 2.029 178.587 176.600 -0.070 0.000 0.997 154 E CA 1.538 57.912 56.400 -0.044 0.000 0.801 154 E CB 0.003 29.688 29.700 -0.024 0.000 0.746 154 E HN 0.528 nan 8.360 nan 0.000 0.450 155 E N -0.752 119.407 120.200 -0.068 0.000 2.150 155 E HA -0.206 4.144 4.350 0.000 0.000 0.193 155 E C 1.976 178.342 176.600 -0.390 0.000 0.985 155 E CA 0.852 57.191 56.400 -0.101 0.000 0.814 155 E CB -0.242 29.492 29.700 0.055 0.000 0.752 155 E HN 0.493 nan 8.360 nan 0.000 0.466 156 H N 0.898 119.535 119.070 -0.722 0.000 2.253 156 H HA -0.145 4.411 4.556 0.000 0.000 0.296 156 H C 2.234 177.283 175.328 -0.465 0.000 1.074 156 H CA 1.381 56.829 56.048 -1.000 0.000 1.263 156 H CB 0.046 29.509 29.762 -0.498 0.000 1.363 156 H HN 0.033 nan 8.280 nan 0.000 0.489 157 L N 0.538 121.631 121.223 -0.216 0.000 2.012 157 L HA -0.197 4.144 4.340 0.000 0.000 0.210 157 L C 3.078 179.882 176.870 -0.110 0.000 1.073 157 L CA 1.181 55.905 54.840 -0.194 0.000 0.748 157 L CB -0.580 41.377 42.059 -0.170 0.000 0.891 157 L HN 0.420 nan 8.230 nan 0.000 0.431 158 A N -0.114 122.649 122.820 -0.094 0.000 1.908 158 A HA -0.274 4.046 4.320 0.000 0.000 0.218 158 A C 2.396 179.968 177.584 -0.019 0.000 1.181 158 A CA 2.097 54.107 52.037 -0.046 0.000 0.627 158 A CB -0.510 18.473 19.000 -0.028 0.000 0.818 158 A HN 0.300 nan 8.150 nan 0.000 0.445 159 R N -0.149 120.334 120.500 -0.029 0.000 2.062 159 R HA 0.061 4.401 4.340 0.000 0.000 0.229 159 R C 1.961 178.289 176.300 0.046 0.000 1.128 159 R CA 1.448 57.580 56.100 0.054 0.000 0.960 159 R CB -0.896 29.497 30.300 0.155 0.000 0.855 159 R HN 0.516 nan 8.270 nan 0.000 0.432 160 L N 0.351 121.586 121.223 0.020 0.000 1.971 160 L HA -0.230 4.110 4.340 0.000 0.000 0.215 160 L C 2.554 179.415 176.870 -0.015 0.000 1.072 160 L CA 2.232 57.078 54.840 0.010 0.000 0.758 160 L CB -0.652 41.393 42.059 -0.023 0.000 0.889 160 L HN 0.401 nan 8.230 nan 0.000 0.433 161 E N -0.081 120.103 120.200 -0.028 0.000 2.070 161 E HA -0.295 4.055 4.350 0.000 0.000 0.197 161 E C 2.134 178.728 176.600 -0.010 0.000 1.004 161 E CA 1.450 57.835 56.400 -0.025 0.000 0.805 161 E CB -0.066 29.616 29.700 -0.030 0.000 0.744 161 E HN 0.478 nan 8.360 nan 0.000 0.451 162 A N 0.374 123.197 122.820 0.005 0.000 1.883 162 A HA -0.171 4.149 4.320 0.000 0.000 0.217 162 A C 2.430 180.030 177.584 0.027 0.000 1.186 162 A CA 1.800 53.852 52.037 0.024 0.000 0.624 162 A CB -0.764 18.262 19.000 0.043 0.000 0.822 162 A HN 0.242 nan 8.150 nan 0.000 0.444 163 V N -0.324 119.603 119.914 0.022 0.000 2.307 163 V HA -0.211 3.909 4.120 0.000 0.000 0.245 163 V C 2.710 178.755 176.094 -0.082 0.000 1.045 163 V CA 2.373 64.666 62.300 -0.013 0.000 1.024 163 V CB -1.470 30.330 31.823 -0.038 0.000 0.651 163 V HN 0.605 nan 8.190 nan 0.000 0.449 164 T N 0.106 114.619 114.554 -0.069 0.000 2.607 164 T HA -0.280 4.070 4.350 0.000 0.000 0.267 164 T C 1.932 176.603 174.700 -0.049 0.000 1.049 164 T CA 1.968 64.026 62.100 -0.071 0.000 1.162 164 T CB -0.291 68.547 68.868 -0.049 0.000 0.863 164 T HN 0.472 nan 8.240 nan 0.000 0.424 165 K N 0.727 121.113 120.400 -0.025 0.000 2.032 165 K HA -0.170 4.150 4.320 0.000 0.000 0.209 165 K C 2.489 179.090 176.600 0.002 0.000 1.048 165 K CA 1.657 57.938 56.287 -0.009 0.000 0.927 165 K CB -0.222 32.278 32.500 -0.001 0.000 0.712 165 K HN 0.534 nan 8.250 nan 0.000 0.441 166 E N 1.291 121.499 120.200 0.015 0.000 2.118 166 E HA -0.212 4.138 4.350 0.000 0.000 0.195 166 E C 1.886 178.513 176.600 0.045 0.000 0.992 166 E CA 1.229 57.656 56.400 0.044 0.000 0.804 166 E CB -0.068 29.682 29.700 0.085 0.000 0.741 166 E HN 0.283 nan 8.360 nan 0.000 0.458 167 I N 0.744 121.314 120.570 0.000 0.000 2.193 167 I HA -0.209 3.961 4.170 0.000 0.000 0.240 167 I C 2.303 178.419 176.117 -0.001 0.000 1.084 167 I CA 1.373 62.667 61.300 -0.010 0.000 1.365 167 I CB -0.374 37.554 38.000 -0.119 0.000 1.064 167 I HN 0.150 nan 8.210 nan 0.000 0.410 168 E N 0.601 120.791 120.200 -0.016 0.000 2.160 168 E HA -0.213 4.137 4.350 0.000 0.000 0.195 168 E C 2.120 178.722 176.600 0.003 0.000 0.991 168 E CA 2.061 58.455 56.400 -0.011 0.000 0.810 168 E CB -0.195 29.495 29.700 -0.017 0.000 0.742 168 E HN 0.645 nan 8.360 nan 0.000 0.466 169 T N -0.980 113.580 114.554 0.011 0.000 2.698 169 T HA -0.114 4.236 4.350 0.000 0.000 0.260 169 T C 2.234 176.948 174.700 0.025 0.000 1.044 169 T CA 1.614 63.724 62.100 0.017 0.000 1.149 169 T CB -0.681 68.200 68.868 0.021 0.000 0.864 169 T HN 0.214 nan 8.240 nan 0.000 0.419 170 T N -2.060 112.515 114.554 0.036 0.000 3.060 170 T HA 0.581 4.931 4.350 0.000 0.000 0.249 170 T C 1.667 176.395 174.700 0.047 0.000 1.079 170 T CA 0.564 62.690 62.100 0.043 0.000 1.013 170 T CB 0.042 68.943 68.868 0.055 0.000 0.975 170 T HN 0.950 nan 8.240 nan 0.000 0.518 171 G N 1.064 109.891 108.800 0.046 0.000 4.045 171 G HA2 -0.267 3.693 3.960 0.000 0.000 0.261 171 G HA3 -0.267 3.693 3.960 0.000 0.000 0.261 171 G C 0.436 175.383 174.900 0.079 0.000 1.772 171 G CA 0.169 45.297 45.100 0.046 0.000 1.264 171 G HN 0.754 nan 8.290 nan 0.000 0.609 172 T N 0.560 115.174 114.554 0.099 0.000 2.773 172 T HA 0.581 4.931 4.350 0.000 0.000 0.337 172 T C 0.019 174.884 174.700 0.274 0.000 1.086 172 T CA 1.470 63.669 62.100 0.164 0.000 0.998 172 T CB 0.410 69.327 68.868 0.082 0.000 1.281 172 T HN 1.921 nan 8.240 nan 0.000 0.525 173 Y N -1.565 118.742 120.300 0.012 0.000 2.677 173 Y HA 0.594 5.144 4.550 0.000 0.000 0.334 173 Y C -1.676 174.244 175.900 0.033 0.000 1.196 173 Y CA -1.369 56.748 58.100 0.028 0.000 1.059 173 Y CB 0.690 39.175 38.460 0.042 0.000 1.315 173 Y HN 0.431 nan 8.280 nan 0.000 0.455 174 Q N 2.557 122.309 119.800 -0.079 0.000 2.312 174 Q HA 0.450 4.790 4.340 0.000 0.000 0.263 174 Q C -0.982 174.952 176.000 -0.110 0.000 0.995 174 Q CA -0.975 54.737 55.803 -0.151 0.000 0.853 174 Q CB 2.858 31.584 28.738 -0.020 0.000 1.300 174 Q HN 0.656 nan 8.270 nan 0.000 0.448 175 L N 2.075 123.219 121.223 -0.132 0.000 2.417 175 L HA 0.242 4.582 4.340 0.000 0.000 0.268 175 L C 1.268 178.152 176.870 0.024 0.000 1.158 175 L CA 0.211 55.045 54.840 -0.009 0.000 0.819 175 L CB 0.432 42.496 42.059 0.009 0.000 1.112 175 L HN 0.745 nan 8.230 nan 0.000 0.458 176 T N -0.524 114.049 114.554 0.031 0.000 2.813 176 T HA 0.118 4.468 4.350 0.000 0.000 0.297 176 T C 1.354 176.070 174.700 0.027 0.000 1.036 176 T CA -0.610 61.505 62.100 0.025 0.000 1.044 176 T CB 0.950 69.826 68.868 0.013 0.000 0.993 176 T HN 0.483 nan 8.240 nan 0.000 0.535 177 L N 0.384 121.626 121.223 0.032 0.000 1.994 177 L HA -0.096 4.244 4.340 0.000 0.000 0.208 177 L C 2.217 179.126 176.870 0.065 0.000 1.071 177 L CA 2.286 57.142 54.840 0.027 0.000 0.745 177 L CB -1.428 40.644 42.059 0.021 0.000 0.892 177 L HN 0.923 nan 8.230 nan 0.000 0.431 178 D N -0.116 120.345 120.400 0.102 0.000 2.190 178 D HA -0.251 4.389 4.640 0.000 0.000 0.200 178 D C 1.906 178.389 176.300 0.305 0.000 0.992 178 D CA 1.369 55.482 54.000 0.189 0.000 0.854 178 D CB 0.255 41.193 40.800 0.230 0.000 0.936 178 D HN 0.539 nan 8.370 nan 0.000 0.462 179 E N -0.245 120.053 120.200 0.163 0.000 2.047 179 E HA -0.171 4.179 4.350 0.000 0.000 0.191 179 E C 2.111 178.912 176.600 0.336 0.000 0.987 179 E CA 0.355 56.844 56.400 0.148 0.000 0.799 179 E CB -0.080 29.579 29.700 -0.068 0.000 0.752 179 E HN 0.142 nan 8.360 nan 0.000 0.449 180 L N 0.833 122.144 121.223 0.147 0.000 2.187 180 L HA -0.171 4.169 4.340 0.000 0.000 0.213 180 L C 1.824 178.732 176.870 0.064 0.000 1.100 180 L CA 1.258 56.119 54.840 0.035 0.000 0.765 180 L CB -0.189 41.822 42.059 -0.081 0.000 0.904 180 L HN 0.083 nan 8.230 nan 0.000 0.437 181 I N -1.250 119.398 120.570 0.130 0.000 2.133 181 I HA -0.270 3.900 4.170 0.000 0.000 0.238 181 I C 2.286 178.520 176.117 0.195 0.000 1.074 181 I CA 1.591 62.959 61.300 0.115 0.000 1.342 181 I CB -0.949 37.121 38.000 0.117 0.000 1.053 181 I HN 0.301 nan 8.210 nan 0.000 0.404 182 F N 1.395 121.449 119.950 0.173 0.000 2.120 182 F HA -0.294 4.233 4.527 0.000 0.000 0.300 182 F C 2.390 178.321 175.800 0.218 0.000 1.095 182 F CA 1.763 59.886 58.000 0.206 0.000 1.249 182 F CB -0.497 38.671 39.000 0.281 0.000 0.995 182 F HN 0.059 nan 8.300 nan 0.000 0.480 183 A N 0.178 123.251 122.820 0.421 0.000 1.865 183 A HA -0.259 4.062 4.320 0.000 0.000 0.217 183 A C 2.295 179.849 177.584 -0.048 0.000 1.191 183 A CA 2.940 55.080 52.037 0.172 0.000 0.623 183 A CB -1.721 17.292 19.000 0.022 0.000 0.826 183 A HN 0.561 nan 8.150 nan 0.000 0.444 184 T N -1.594 112.943 114.554 -0.028 0.000 2.788 184 T HA -0.161 4.189 4.350 0.000 0.000 0.268 184 T C 1.759 176.509 174.700 0.083 0.000 1.044 184 T CA 1.667 63.764 62.100 -0.005 0.000 1.139 184 T CB -0.359 68.509 68.868 0.001 0.000 0.867 184 T HN 0.555 nan 8.240 nan 0.000 0.454 185 K N 0.106 120.551 120.400 0.076 0.000 2.155 185 K HA 0.101 4.421 4.320 0.000 0.000 0.203 185 K C 2.431 179.116 176.600 0.141 0.000 1.052 185 K CA 0.992 57.397 56.287 0.196 0.000 0.948 185 K CB -0.189 32.403 32.500 0.154 0.000 0.728 185 K HN 0.284 nan 8.250 nan 0.000 0.448 186 M N 0.398 119.922 119.600 -0.128 0.000 2.123 186 M HA -0.030 4.450 4.480 0.000 0.000 0.263 186 M C 2.462 178.659 176.300 -0.171 0.000 1.069 186 M CA 1.282 56.436 55.300 -0.245 0.000 1.133 186 M CB -1.072 31.302 32.600 -0.377 0.000 1.356 186 M HN 0.109 nan 8.290 nan 0.000 0.415 187 A N -0.652 122.027 122.820 -0.235 0.000 1.978 187 A HA -0.219 4.101 4.320 0.000 0.000 0.220 187 A C 2.012 179.471 177.584 -0.207 0.000 1.170 187 A CA 1.506 53.245 52.037 -0.496 0.000 0.636 187 A CB -1.041 17.227 19.000 -1.219 0.000 0.810 187 A HN 0.686 nan 8.150 nan 0.000 0.448 188 W N 0.626 121.894 121.300 -0.054 0.000 2.408 188 W HA -0.048 4.612 4.660 0.000 0.000 0.311 188 W C 2.289 178.747 176.519 -0.102 0.000 1.190 188 W CA 1.288 58.640 57.345 0.011 0.000 1.321 188 W CB -0.808 28.637 29.460 -0.025 0.000 1.143 188 W HN 0.333 nan 8.180 nan 0.000 0.501 189 R N 0.384 120.838 120.500 -0.076 0.000 2.139 189 R HA -0.199 4.141 4.340 0.000 0.000 0.243 189 R C 1.232 177.396 176.300 -0.226 0.000 1.145 189 R CA 1.830 57.732 56.100 -0.330 0.000 0.976 189 R CB -0.482 29.509 30.300 -0.514 0.000 0.866 189 R HN 0.099 nan 8.270 nan 0.000 0.449 190 N N -0.190 118.418 118.700 -0.154 0.000 2.322 190 N HA 0.063 4.803 4.740 0.000 0.000 0.194 190 N C -0.778 174.659 175.510 -0.121 0.000 1.126 190 N CA 0.427 53.419 53.050 -0.096 0.000 0.845 190 N CB 1.066 39.553 38.487 0.001 0.000 0.976 190 N HN 0.142 nan 8.380 nan 0.000 0.475 191 A N 2.232 124.958 122.820 -0.157 0.000 2.415 191 A HA 0.273 4.594 4.320 0.000 0.000 0.309 191 A C -1.079 176.440 177.584 -0.108 0.000 1.356 191 A CA -1.162 50.733 52.037 -0.237 0.000 0.998 191 A CB 0.533 19.464 19.000 -0.114 0.000 1.145 191 A HN -0.016 nan 8.150 nan 0.000 0.545 192 P HA -0.166 nan 4.420 nan 0.000 0.222 192 P C 0.852 178.119 177.300 -0.055 0.000 1.147 192 P CA 1.063 64.133 63.100 -0.049 0.000 0.790 192 P CB 0.220 31.891 31.700 -0.048 0.000 0.780 193 R N -1.544 118.884 120.500 -0.119 0.000 2.317 193 R HA 0.135 4.475 4.340 0.000 0.000 0.208 193 R C 0.762 177.079 176.300 0.028 0.000 0.914 193 R CA -0.153 55.906 56.100 -0.069 0.000 1.060 193 R CB -0.300 29.784 30.300 -0.359 0.000 1.015 193 R HN 0.166 nan 8.270 nan 0.000 0.498 194 C N 0.825 120.124 119.300 -0.002 0.000 2.347 194 C HA 0.305 4.765 4.460 0.000 0.000 0.353 194 C C 1.763 176.744 174.990 -0.015 0.000 1.273 194 C CA -0.743 58.302 59.018 0.044 0.000 1.861 194 C CB -0.332 27.510 27.740 0.169 0.000 2.420 194 C HN 0.536 nan 8.230 nan 0.000 0.542 195 I N 4.133 124.655 120.570 -0.080 0.000 3.419 195 I HA 0.193 4.363 4.170 0.000 0.000 0.286 195 I C 1.901 178.074 176.117 0.093 0.000 1.268 195 I CA 1.041 62.233 61.300 -0.180 0.000 1.414 195 I CB 0.076 37.944 38.000 -0.219 0.000 1.074 195 I HN 0.907 nan 8.210 nan 0.000 0.457 196 G N 0.067 108.914 108.800 0.078 0.000 3.088 196 G HA2 -0.029 3.931 3.960 0.000 0.000 0.212 196 G HA3 -0.029 3.931 3.960 0.000 0.000 0.212 196 G C 1.350 176.223 174.900 -0.046 0.000 1.173 196 G CA -0.309 44.821 45.100 0.051 0.000 0.779 196 G HN 0.262 nan 8.290 nan 0.000 0.540 197 R N -0.195 120.208 120.500 -0.163 0.000 2.371 197 R HA -0.037 4.303 4.340 0.000 0.000 0.226 197 R C 2.034 177.747 176.300 -0.978 0.000 1.132 197 R CA 0.523 56.173 56.100 -0.750 0.000 1.027 197 R CB -0.276 29.680 30.300 -0.573 0.000 0.848 197 R HN 0.486 nan 8.270 nan 0.000 0.479 198 I N 0.567 120.764 120.570 -0.622 0.000 2.614 198 I HA -0.226 3.944 4.170 0.000 0.000 0.258 198 I C 1.496 177.503 176.117 -0.185 0.000 1.189 198 I CA 1.178 62.288 61.300 -0.316 0.000 1.462 198 I CB 0.139 38.119 38.000 -0.033 0.000 1.092 198 I HN 0.172 nan 8.210 nan 0.000 0.442 199 Q N 0.811 120.421 119.800 -0.317 0.000 2.451 199 Q HA -0.138 4.202 4.340 0.000 0.000 0.206 199 Q C 1.700 177.334 176.000 -0.610 0.000 0.947 199 Q CA 0.689 56.334 55.803 -0.263 0.000 0.937 199 Q CB -0.309 28.439 28.738 0.017 0.000 1.025 199 Q HN 0.794 nan 8.270 nan 0.000 0.511 200 W N 1.252 121.833 121.300 -1.198 0.000 2.256 200 W HA -0.293 4.368 4.660 0.000 0.000 0.311 200 W C 1.237 177.573 176.519 -0.305 0.000 1.258 200 W CA 1.713 58.359 57.345 -1.164 0.000 1.269 200 W CB -1.497 27.401 29.460 -0.936 0.000 1.134 200 W HN 0.206 nan 8.180 nan 0.000 0.518 201 S N 0.121 114.985 115.700 -1.394 0.000 2.593 201 S HA 0.041 4.511 4.470 0.000 0.000 0.217 201 S C 0.531 174.881 174.600 -0.416 0.000 0.966 201 S CA -0.008 57.540 58.200 -1.087 0.000 0.914 201 S CB -0.592 61.818 63.200 -1.318 0.000 0.776 201 S HN 0.146 nan 8.310 nan 0.000 0.523 202 N N 1.747 120.322 118.700 -0.209 0.000 2.955 202 N HA 0.502 5.242 4.740 0.000 0.000 0.242 202 N C -1.450 174.133 175.510 0.122 0.000 1.123 202 N CA -0.171 52.872 53.050 -0.012 0.000 0.949 202 N CB 1.139 39.658 38.487 0.053 0.000 1.214 202 N HN 0.355 nan 8.380 nan 0.000 0.504 203 L N 1.480 122.740 121.223 0.061 0.000 2.409 203 L HA 0.456 4.796 4.340 0.000 0.000 0.262 203 L C -0.906 175.933 176.870 -0.053 0.000 0.992 203 L CA -0.656 54.211 54.840 0.044 0.000 0.817 203 L CB 2.329 44.441 42.059 0.088 0.000 1.350 203 L HN 0.167 nan 8.230 nan 0.000 0.411 204 Q N 2.188 121.910 119.800 -0.131 0.000 2.322 204 Q HA 0.699 5.039 4.340 0.000 0.000 0.265 204 Q C -1.874 173.817 176.000 -0.515 0.000 0.985 204 Q CA -0.496 55.098 55.803 -0.348 0.000 0.849 204 Q CB 1.886 30.335 28.738 -0.481 0.000 1.274 204 Q HN 0.474 nan 8.270 nan 0.000 0.449 205 V N 4.786 124.388 119.914 -0.521 0.000 2.384 205 V HA 0.477 4.597 4.120 0.000 0.000 0.287 205 V C -0.848 174.934 176.094 -0.519 0.000 1.020 205 V CA -0.641 61.392 62.300 -0.446 0.000 0.850 205 V CB 0.741 32.427 31.823 -0.228 0.000 0.987 205 V HN 0.660 nan 8.190 nan 0.000 0.436 206 F N 2.718 122.556 119.950 -0.187 0.000 2.303 206 F HA 0.329 4.856 4.527 0.000 0.000 0.368 206 F C 0.731 176.354 175.800 -0.294 0.000 1.105 206 F CA -1.294 56.578 58.000 -0.212 0.000 1.153 206 F CB 0.675 39.557 39.000 -0.197 0.000 1.362 206 F HN 0.487 nan 8.300 nan 0.000 0.511 207 D N 3.408 123.766 120.400 -0.070 0.000 2.385 207 D HA 0.173 4.813 4.640 0.000 0.000 0.260 207 D C 0.498 176.648 176.300 -0.251 0.000 1.326 207 D CA 0.312 54.214 54.000 -0.162 0.000 1.023 207 D CB 0.723 41.466 40.800 -0.094 0.000 1.083 207 D HN 0.590 nan 8.370 nan 0.000 0.517 208 A N 4.710 127.244 122.820 -0.475 0.000 2.610 208 A HA 0.132 4.452 4.320 0.000 0.000 0.286 208 A C 1.837 179.141 177.584 -0.467 0.000 1.306 208 A CA -0.403 51.180 52.037 -0.757 0.000 0.942 208 A CB 0.055 18.137 19.000 -1.530 0.000 1.112 208 A HN 0.503 nan 8.150 nan 0.000 0.527 209 R N 1.074 121.408 120.500 -0.277 0.000 2.127 209 R HA -0.150 4.190 4.340 0.000 0.000 0.238 209 R C 1.432 177.646 176.300 -0.143 0.000 1.134 209 R CA 1.653 57.656 56.100 -0.161 0.000 0.975 209 R CB -0.249 30.009 30.300 -0.069 0.000 0.865 209 R HN 0.848 nan 8.270 nan 0.000 0.447 210 N N 0.245 118.877 118.700 -0.113 0.000 2.463 210 N HA -0.070 4.671 4.740 0.000 0.000 0.181 210 N C 0.910 176.408 175.510 -0.021 0.000 1.078 210 N CA -0.048 52.974 53.050 -0.046 0.000 0.902 210 N CB -0.192 38.289 38.487 -0.009 0.000 0.970 210 N HN 0.059 nan 8.380 nan 0.000 0.451 211 C N 1.911 121.171 119.300 -0.067 0.000 2.746 211 C HA 0.108 4.569 4.460 0.000 0.000 0.403 211 C C 1.774 176.840 174.990 0.127 0.000 1.270 211 C CA 0.774 59.826 59.018 0.055 0.000 1.978 211 C CB 0.274 28.053 27.740 0.066 0.000 2.724 211 C HN 0.624 nan 8.230 nan 0.000 0.678 212 S N 0.400 116.284 115.700 0.306 0.000 2.648 212 S HA 0.223 4.693 4.470 0.000 0.000 0.270 212 S C -0.011 174.804 174.600 0.359 0.000 1.034 212 S CA 0.425 58.879 58.200 0.425 0.000 1.376 212 S CB -0.255 63.089 63.200 0.239 0.000 1.227 212 S HN 1.335 nan 8.310 nan 0.000 0.676 213 T N -1.792 112.949 114.554 0.312 0.000 2.883 213 T HA 0.810 5.160 4.350 0.000 0.000 0.301 213 T C 1.165 176.001 174.700 0.226 0.000 1.158 213 T CA -0.082 62.145 62.100 0.210 0.000 1.007 213 T CB 1.287 70.246 68.868 0.151 0.000 1.186 213 T HN 0.392 nan 8.240 nan 0.000 0.499 214 A N 0.792 123.733 122.820 0.203 0.000 1.917 214 A HA -0.107 4.213 4.320 0.000 0.000 0.219 214 A C 2.245 179.912 177.584 0.138 0.000 1.182 214 A CA 1.593 53.789 52.037 0.265 0.000 0.633 214 A CB -1.040 18.205 19.000 0.408 0.000 0.819 214 A HN 0.797 nan 8.150 nan 0.000 0.448 215 Q N -0.376 119.504 119.800 0.134 0.000 2.224 215 Q HA -0.158 4.182 4.340 0.000 0.000 0.203 215 Q C 1.760 177.745 176.000 -0.025 0.000 0.970 215 Q CA 1.659 57.438 55.803 -0.039 0.000 0.865 215 Q CB -0.181 28.607 28.738 0.085 0.000 0.922 215 Q HN 0.852 nan 8.270 nan 0.000 0.445 216 E N -0.695 119.558 120.200 0.089 0.000 2.216 216 E HA -0.044 4.306 4.350 0.000 0.000 0.192 216 E C 2.004 178.784 176.600 0.300 0.000 0.988 216 E CA 0.371 56.856 56.400 0.141 0.000 0.834 216 E CB 0.034 29.858 29.700 0.207 0.000 0.772 216 E HN 0.315 nan 8.360 nan 0.000 0.479 217 M N 0.214 120.003 119.600 0.315 0.000 2.098 217 M HA -0.101 4.379 4.480 0.000 0.000 0.262 217 M C 2.186 178.696 176.300 0.351 0.000 1.072 217 M CA 1.054 56.623 55.300 0.449 0.000 1.133 217 M CB -0.289 32.390 32.600 0.131 0.000 1.344 217 M HN 0.111 nan 8.290 nan 0.000 0.414 218 F N 1.950 121.822 119.950 -0.130 0.000 2.087 218 F HA -0.303 4.224 4.527 0.000 0.000 0.299 218 F C 2.237 177.961 175.800 -0.126 0.000 1.100 218 F CA 1.936 59.778 58.000 -0.263 0.000 1.226 218 F CB -0.941 37.585 39.000 -0.790 0.000 0.983 218 F HN 0.227 nan 8.300 nan 0.000 0.479 219 Q N -1.455 118.264 119.800 -0.135 0.000 2.170 219 Q HA -0.210 4.130 4.340 0.000 0.000 0.203 219 Q C 1.992 177.864 176.000 -0.212 0.000 0.976 219 Q CA 1.847 57.476 55.803 -0.289 0.000 0.858 219 Q CB -0.337 28.212 28.738 -0.316 0.000 0.907 219 Q HN 0.595 nan 8.270 nan 0.000 0.433 220 H N -0.256 118.799 119.070 -0.024 0.000 2.395 220 H HA 0.006 4.562 4.556 0.000 0.000 0.299 220 H C 1.839 177.148 175.328 -0.032 0.000 1.070 220 H CA 1.123 57.119 56.048 -0.087 0.000 1.356 220 H CB 0.229 29.920 29.762 -0.118 0.000 1.401 220 H HN 0.140 nan 8.280 nan 0.000 0.524 221 I N -0.365 120.365 120.570 0.268 0.000 2.286 221 I HA -0.309 3.861 4.170 0.000 0.000 0.248 221 I C 1.958 178.186 176.117 0.185 0.000 1.115 221 I CA 0.683 62.145 61.300 0.270 0.000 1.392 221 I CB -0.185 38.004 38.000 0.315 0.000 1.065 221 I HN 0.418 nan 8.210 nan 0.000 0.418 222 C N 0.254 119.604 119.300 0.083 0.000 2.453 222 C HA -0.143 4.317 4.460 0.000 0.000 0.277 222 C C 2.963 177.929 174.990 -0.040 0.000 1.262 222 C CA 0.775 59.792 59.018 -0.001 0.000 1.718 222 C CB -1.150 26.495 27.740 -0.158 0.000 2.031 222 C HN 0.481 nan 8.230 nan 0.000 0.480 223 R N 0.031 120.458 120.500 -0.122 0.000 2.105 223 R HA -0.183 4.157 4.340 0.000 0.000 0.239 223 R C 2.316 178.511 176.300 -0.174 0.000 1.135 223 R CA 1.692 57.665 56.100 -0.213 0.000 0.967 223 R CB -0.697 29.368 30.300 -0.393 0.000 0.861 223 R HN 0.733 nan 8.270 nan 0.000 0.442 224 H N 0.387 119.326 119.070 -0.218 0.000 2.253 224 H HA -0.131 4.425 4.556 0.000 0.000 0.299 224 H C 2.203 177.620 175.328 0.147 0.000 1.064 224 H CA 2.292 58.347 56.048 0.012 0.000 1.264 224 H CB -0.151 29.675 29.762 0.107 0.000 1.371 224 H HN 0.195 nan 8.280 nan 0.000 0.493 225 I N 0.914 121.532 120.570 0.080 0.000 2.113 225 I HA -0.361 3.809 4.170 0.000 0.000 0.242 225 I C 2.983 179.106 176.117 0.011 0.000 1.064 225 I CA 1.260 62.566 61.300 0.009 0.000 1.320 225 I CB -0.397 37.633 38.000 0.051 0.000 1.028 225 I HN 0.350 nan 8.210 nan 0.000 0.406 226 L N -0.237 121.003 121.223 0.028 0.000 2.012 226 L HA -0.306 4.034 4.340 0.000 0.000 0.210 226 L C 2.747 179.648 176.870 0.051 0.000 1.073 226 L CA 1.818 56.672 54.840 0.023 0.000 0.748 226 L CB -0.476 41.586 42.059 0.005 0.000 0.891 226 L HN 0.261 nan 8.230 nan 0.000 0.431 227 Y N 0.142 120.440 120.300 -0.003 0.000 2.163 227 Y HA -0.239 4.311 4.550 0.000 0.000 0.288 227 Y C 2.350 178.279 175.900 0.048 0.000 1.136 227 Y CA 1.644 59.783 58.100 0.066 0.000 1.147 227 Y CB -0.429 38.165 38.460 0.223 0.000 0.987 227 Y HN 0.244 nan 8.280 nan 0.000 0.509 228 A N -0.312 122.559 122.820 0.085 0.000 1.877 228 A HA -0.199 4.121 4.320 0.000 0.000 0.216 228 A C 2.221 179.758 177.584 -0.079 0.000 1.186 228 A CA 2.431 54.446 52.037 -0.036 0.000 0.620 228 A CB -1.434 17.490 19.000 -0.127 0.000 0.822 228 A HN 0.523 nan 8.150 nan 0.000 0.443 229 T N -0.181 114.343 114.554 -0.050 0.000 2.684 229 T HA -0.165 4.185 4.350 0.000 0.000 0.267 229 T C 1.175 175.839 174.700 -0.060 0.000 1.036 229 T CA 1.463 63.546 62.100 -0.027 0.000 1.148 229 T CB -0.503 68.359 68.868 -0.010 0.000 0.863 229 T HN 0.669 nan 8.240 nan 0.000 0.436 230 N N 1.854 120.492 118.700 -0.103 0.000 2.708 230 N HA -0.282 4.458 4.740 0.000 0.000 0.251 230 N C 0.031 175.492 175.510 -0.081 0.000 1.017 230 N CA 0.954 53.928 53.050 -0.126 0.000 0.742 230 N CB -2.114 36.246 38.487 -0.211 0.000 0.943 230 N HN 0.660 nan 8.380 nan 0.000 0.539 231 N N -1.770 116.896 118.700 -0.057 0.000 2.738 231 N HA -0.243 4.497 4.740 0.000 0.000 0.249 231 N C 0.983 176.461 175.510 -0.053 0.000 1.047 231 N CA 1.273 54.294 53.050 -0.049 0.000 0.707 231 N CB -1.263 37.195 38.487 -0.047 0.000 0.937 231 N HN 1.091 nan 8.380 nan 0.000 0.545 232 G N 0.610 109.382 108.800 -0.047 0.000 2.527 232 G HA2 -0.355 3.605 3.960 0.000 0.000 0.218 232 G HA3 -0.355 3.605 3.960 0.000 0.000 0.218 232 G C -0.022 174.854 174.900 -0.040 0.000 1.177 232 G CA 0.340 45.412 45.100 -0.046 0.000 0.695 232 G HN 0.636 nan 8.290 nan 0.000 0.517 233 N N 2.118 120.780 118.700 -0.064 0.000 2.671 233 N HA 0.291 5.032 4.740 0.000 0.000 0.274 233 N C 0.623 176.089 175.510 -0.073 0.000 1.188 233 N CA -0.612 52.387 53.050 -0.086 0.000 1.065 233 N CB -0.216 38.215 38.487 -0.093 0.000 1.415 233 N HN 0.278 nan 8.380 nan 0.000 0.511 234 I N 2.303 122.858 120.570 -0.025 0.000 2.880 234 I HA -0.071 4.099 4.170 0.000 0.000 0.296 234 I C 0.814 176.993 176.117 0.103 0.000 1.220 234 I CA 0.970 62.308 61.300 0.063 0.000 1.435 234 I CB 0.140 38.267 38.000 0.211 0.000 1.339 234 I HN 0.454 nan 8.210 nan 0.000 0.583 235 R N 3.449 123.996 120.500 0.078 0.000 2.575 235 R HA 0.348 4.688 4.340 0.000 0.000 0.293 235 R C -0.618 175.776 176.300 0.156 0.000 0.983 235 R CA -0.619 55.545 56.100 0.106 0.000 0.887 235 R CB 1.978 32.191 30.300 -0.146 0.000 1.184 235 R HN 0.558 nan 8.270 nan 0.000 0.445 236 S N 1.601 117.406 115.700 0.175 0.000 2.531 236 S HA 0.518 4.988 4.470 0.000 0.000 0.279 236 S C -0.335 174.296 174.600 0.052 0.000 1.305 236 S CA -0.245 57.962 58.200 0.011 0.000 1.058 236 S CB 1.247 64.365 63.200 -0.137 0.000 0.899 236 S HN 0.690 nan 8.310 nan 0.000 0.493 237 A N 2.954 125.795 122.820 0.035 0.000 2.610 237 A HA 0.844 5.164 4.320 0.000 0.000 0.291 237 A C -1.336 176.426 177.584 0.296 0.000 1.086 237 A CA -0.684 51.411 52.037 0.096 0.000 0.677 237 A CB 1.204 20.321 19.000 0.195 0.000 1.278 237 A HN 0.800 nan 8.150 nan 0.000 0.414 238 I N 0.391 121.034 120.570 0.120 0.000 2.692 238 I HA 0.637 4.807 4.170 0.000 0.000 0.293 238 I C -0.765 175.249 176.117 -0.171 0.000 1.200 238 I CA -0.114 61.190 61.300 0.007 0.000 1.036 238 I CB 2.374 40.356 38.000 -0.030 0.000 1.258 238 I HN 0.734 nan 8.210 nan 0.000 0.421 239 T N 6.685 121.043 114.554 -0.326 0.000 2.788 239 T HA 0.473 4.823 4.350 0.000 0.000 0.296 239 T C -0.822 173.654 174.700 -0.372 0.000 1.009 239 T CA -0.395 61.504 62.100 -0.335 0.000 0.949 239 T CB 0.508 69.099 68.868 -0.463 0.000 0.946 239 T HN 0.295 nan 8.240 nan 0.000 0.453 240 V N 7.659 127.347 119.914 -0.377 0.000 2.356 240 V HA 0.353 4.473 4.120 0.000 0.000 0.258 240 V C 0.127 175.982 176.094 -0.398 0.000 1.065 240 V CA -0.532 61.554 62.300 -0.357 0.000 0.935 240 V CB -1.045 30.506 31.823 -0.453 0.000 1.061 240 V HN 0.782 nan 8.190 nan 0.000 0.484 241 F N 5.852 125.699 119.950 -0.173 0.000 2.390 241 F HA 0.365 4.892 4.527 0.000 0.000 0.307 241 F C -1.572 174.119 175.800 -0.182 0.000 1.227 241 F CA -2.085 55.775 58.000 -0.233 0.000 1.179 241 F CB 0.029 38.931 39.000 -0.164 0.000 1.280 241 F HN 0.299 nan 8.300 nan 0.000 0.548 242 P HA -0.031 nan 4.420 nan 0.000 0.264 242 P C -0.973 176.363 177.300 0.060 0.000 1.183 242 P CA -0.018 62.942 63.100 -0.233 0.000 0.763 242 P CB 0.220 31.462 31.700 -0.762 0.000 0.807 243 Q N 3.258 123.109 119.800 0.086 0.000 2.584 243 Q HA 0.111 4.451 4.340 0.000 0.000 0.218 243 Q C 0.114 176.075 176.000 -0.066 0.000 1.079 243 Q CA -0.491 55.175 55.803 -0.229 0.000 1.008 243 Q CB 0.593 28.886 28.738 -0.743 0.000 1.267 243 Q HN 0.337 nan 8.270 nan 0.000 0.586 244 R N 0.584 121.000 120.500 -0.139 0.000 2.265 244 R HA 0.114 4.454 4.340 0.000 0.000 0.314 244 R C 0.266 176.552 176.300 -0.024 0.000 1.053 244 R CA 0.476 56.571 56.100 -0.009 0.000 0.931 244 R CB 0.796 31.082 30.300 -0.023 0.000 1.024 244 R HN 0.907 nan 8.270 nan 0.000 0.457 245 S N 3.290 119.023 115.700 0.056 0.000 2.338 245 S HA -0.078 4.392 4.470 0.000 0.000 0.197 245 S C 1.056 175.679 174.600 0.038 0.000 0.990 245 S CA 0.653 58.887 58.200 0.057 0.000 0.920 245 S CB -0.167 63.109 63.200 0.126 0.000 0.903 245 S HN 0.838 nan 8.310 nan 0.000 0.542 246 D N -0.117 120.308 120.400 0.041 0.000 2.652 246 D HA 0.317 4.957 4.640 0.000 0.000 0.261 246 D C 1.575 177.856 176.300 -0.031 0.000 1.024 246 D CA 1.222 55.217 54.000 -0.009 0.000 0.958 246 D CB -0.138 40.635 40.800 -0.044 0.000 1.113 246 D HN 0.677 nan 8.370 nan 0.000 0.471 247 G N 0.239 109.013 108.800 -0.044 0.000 3.609 247 G HA2 -0.123 3.837 3.960 0.000 0.000 0.219 247 G HA3 -0.123 3.837 3.960 0.000 0.000 0.219 247 G C 1.029 175.895 174.900 -0.058 0.000 0.951 247 G CA -0.101 44.975 45.100 -0.041 0.000 0.867 247 G HN 0.218 nan 8.290 nan 0.000 0.478 248 K N 0.350 120.660 120.400 -0.151 0.000 2.417 248 K HA 0.251 4.572 4.320 0.000 0.000 0.196 248 K C -0.008 176.519 176.600 -0.122 0.000 1.023 248 K CA 0.049 56.229 56.287 -0.180 0.000 1.122 248 K CB 0.118 32.450 32.500 -0.279 0.000 0.850 248 K HN 0.526 nan 8.250 nan 0.000 0.521 249 H N 0.799 119.874 119.070 0.009 0.000 2.471 249 H HA 0.177 4.733 4.556 0.000 0.000 0.234 249 H C -1.088 174.252 175.328 0.019 0.000 1.388 249 H CA -0.698 55.346 56.048 -0.006 0.000 1.198 249 H CB 0.525 30.304 29.762 0.029 0.000 1.714 249 H HN -0.016 nan 8.280 nan 0.000 0.536 250 D N 1.080 121.547 120.400 0.112 0.000 2.193 250 D HA 0.108 4.748 4.640 0.000 0.000 0.244 250 D C -0.258 176.076 176.300 0.057 0.000 1.064 250 D CA -0.373 53.714 54.000 0.144 0.000 0.845 250 D CB 1.508 42.383 40.800 0.125 0.000 1.148 250 D HN 0.193 nan 8.370 nan 0.000 0.464 251 F N 2.398 122.401 119.950 0.090 0.000 2.424 251 F HA 0.314 4.842 4.527 0.000 0.000 0.356 251 F C 1.031 176.841 175.800 0.017 0.000 1.110 251 F CA -0.231 57.788 58.000 0.032 0.000 1.161 251 F CB 0.675 39.684 39.000 0.015 0.000 1.115 251 F HN -0.140 nan 8.300 nan 0.000 0.507 252 R N 3.654 124.237 120.500 0.138 0.000 2.621 252 R HA 0.506 4.846 4.340 0.000 0.000 0.284 252 R C -1.597 174.820 176.300 0.195 0.000 0.998 252 R CA -1.139 55.065 56.100 0.174 0.000 0.895 252 R CB 2.203 32.654 30.300 0.252 0.000 1.195 252 R HN 0.466 nan 8.270 nan 0.000 0.450 253 L N 1.891 123.213 121.223 0.165 0.000 2.289 253 L HA 0.356 4.696 4.340 0.000 0.000 0.285 253 L C 0.679 177.785 176.870 0.393 0.000 1.049 253 L CA -0.080 54.866 54.840 0.175 0.000 0.804 253 L CB 0.664 42.757 42.059 0.056 0.000 1.195 253 L HN 0.563 nan 8.230 nan 0.000 0.428 254 W N 0.715 122.087 121.300 0.121 0.000 3.139 254 W HA 0.125 4.785 4.660 0.000 0.000 0.260 254 W C 0.459 177.155 176.519 0.295 0.000 1.312 254 W CA -0.705 56.824 57.345 0.306 0.000 1.606 254 W CB -1.019 28.695 29.460 0.424 0.000 1.118 254 W HN 0.508 nan 8.180 nan 0.000 0.675 255 N N -0.731 118.086 118.700 0.195 0.000 2.483 255 N HA 0.097 4.837 4.740 0.000 0.000 0.269 255 N C 1.182 176.534 175.510 -0.263 0.000 1.209 255 N CA 0.271 53.108 53.050 -0.355 0.000 0.969 255 N CB 0.869 39.218 38.487 -0.229 0.000 1.173 255 N HN -0.316 nan 8.380 nan 0.000 0.475 256 S N -0.264 115.205 115.700 -0.385 0.000 2.357 256 S HA -0.107 4.363 4.470 0.000 0.000 0.221 256 S C 0.405 174.907 174.600 -0.164 0.000 1.031 256 S CA 1.074 59.160 58.200 -0.190 0.000 0.982 256 S CB -0.274 62.830 63.200 -0.160 0.000 0.853 256 S HN 0.747 nan 8.310 nan 0.000 0.458 257 Q N -0.945 118.740 119.800 -0.193 0.000 2.501 257 Q HA 0.485 4.825 4.340 0.000 0.000 0.288 257 Q C -0.104 175.781 176.000 -0.191 0.000 1.051 257 Q CA -0.923 54.773 55.803 -0.177 0.000 0.788 257 Q CB 0.759 29.426 28.738 -0.117 0.000 1.469 257 Q HN -0.098 nan 8.270 nan 0.000 0.416 258 L N 0.499 121.628 121.223 -0.158 0.000 1.941 258 L HA -0.080 4.260 4.340 0.000 0.000 0.224 258 L C 0.882 177.624 176.870 -0.213 0.000 1.081 258 L CA 1.891 56.658 54.840 -0.123 0.000 0.784 258 L CB -0.688 41.344 42.059 -0.045 0.000 0.894 258 L HN 0.678 nan 8.230 nan 0.000 0.436 259 I N -1.432 118.932 120.570 -0.344 0.000 2.440 259 I HA 0.450 4.620 4.170 0.000 0.000 0.294 259 I C 0.051 175.575 176.117 -0.988 0.000 0.995 259 I CA -0.040 60.888 61.300 -0.620 0.000 1.306 259 I CB 1.336 38.899 38.000 -0.728 0.000 1.407 259 I HN 0.151 nan 8.210 nan 0.000 0.501 260 R N 3.899 123.849 120.500 -0.918 0.000 2.725 260 R HA 0.370 4.710 4.340 0.000 0.000 0.254 260 R C -2.034 174.014 176.300 -0.420 0.000 1.076 260 R CA -0.712 54.963 56.100 -0.707 0.000 0.940 260 R CB 0.508 30.613 30.300 -0.325 0.000 1.260 260 R HN 0.326 nan 8.270 nan 0.000 0.466 261 Y N 1.639 121.928 120.300 -0.019 0.000 2.301 261 Y HA 0.645 5.195 4.550 0.000 0.000 0.328 261 Y C 1.045 176.958 175.900 0.021 0.000 1.242 261 Y CA -0.126 58.019 58.100 0.075 0.000 1.323 261 Y CB 1.055 39.675 38.460 0.267 0.000 1.266 261 Y HN 0.737 nan 8.280 nan 0.000 0.527 262 A N 0.935 123.850 122.820 0.158 0.000 2.313 262 A HA 0.706 5.026 4.320 0.000 0.000 0.261 262 A C 0.367 177.733 177.584 -0.363 0.000 1.090 262 A CA 0.163 52.119 52.037 -0.134 0.000 0.807 262 A CB -0.065 18.858 19.000 -0.130 0.000 1.055 262 A HN 0.922 nan 8.150 nan 0.000 0.492 263 G N -0.212 108.259 108.800 -0.548 0.000 2.707 263 G HA2 0.584 4.544 3.960 0.000 0.000 0.299 263 G HA3 0.584 4.544 3.960 0.000 0.000 0.299 263 G C -1.366 173.222 174.900 -0.521 0.000 1.442 263 G CA -0.291 44.526 45.100 -0.470 0.000 1.009 263 G HN 0.536 nan 8.290 nan 0.000 0.515 264 Y N 0.087 120.433 120.300 0.076 0.000 2.446 264 Y HA 0.548 5.098 4.550 0.000 0.000 0.345 264 Y C 0.376 176.338 175.900 0.102 0.000 0.984 264 Y CA -1.163 57.004 58.100 0.112 0.000 1.058 264 Y CB 2.527 41.107 38.460 0.200 0.000 1.220 264 Y HN 0.484 nan 8.280 nan 0.000 0.455 265 Q N 3.600 123.548 119.800 0.246 0.000 2.571 265 Q HA 0.307 4.648 4.340 0.000 0.000 0.222 265 Q C -0.702 175.392 176.000 0.157 0.000 1.167 265 Q CA -0.660 55.237 55.803 0.157 0.000 0.966 265 Q CB 0.300 29.103 28.738 0.108 0.000 1.274 265 Q HN 0.558 nan 8.270 nan 0.000 0.552 266 M N 3.906 123.594 119.600 0.146 0.000 2.243 266 M HA -0.019 4.461 4.480 0.000 0.000 0.309 266 M C -1.371 174.952 176.300 0.038 0.000 1.050 266 M CA -1.365 53.984 55.300 0.082 0.000 1.139 266 M CB -0.510 32.125 32.600 0.059 0.000 1.457 266 M HN 0.460 nan 8.290 nan 0.000 0.440 267 P HA -0.181 nan 4.420 nan 0.000 0.215 267 P C 0.404 177.702 177.300 -0.003 0.000 1.157 267 P CA 1.578 64.670 63.100 -0.013 0.000 0.868 267 P CB -0.364 31.308 31.700 -0.047 0.000 0.788 268 D N -0.939 119.458 120.400 -0.006 0.000 2.370 268 D HA 0.003 4.643 4.640 0.000 0.000 0.256 268 D C 1.384 177.691 176.300 0.011 0.000 1.197 268 D CA 0.820 54.820 54.000 -0.000 0.000 0.922 268 D CB -0.949 39.848 40.800 -0.004 0.000 0.911 268 D HN 0.327 nan 8.370 nan 0.000 0.517 269 G N 0.829 109.640 108.800 0.018 0.000 2.347 269 G HA2 -0.366 3.594 3.960 0.000 0.000 0.247 269 G HA3 -0.366 3.594 3.960 0.000 0.000 0.247 269 G C 0.727 175.647 174.900 0.033 0.000 1.037 269 G CA 0.790 45.905 45.100 0.025 0.000 0.622 269 G HN 0.743 nan 8.290 nan 0.000 0.521 270 T N -0.600 113.974 114.554 0.033 0.000 2.726 270 T HA 0.637 4.987 4.350 0.000 0.000 0.294 270 T C 0.448 175.180 174.700 0.054 0.000 1.013 270 T CA 0.026 62.149 62.100 0.039 0.000 0.996 270 T CB 1.612 70.500 68.868 0.035 0.000 1.016 270 T HN 0.656 nan 8.240 nan 0.000 0.529 271 I N 0.537 121.137 120.570 0.050 0.000 2.545 271 I HA 0.478 4.648 4.170 0.000 0.000 0.292 271 I C 0.121 176.267 176.117 0.049 0.000 1.040 271 I CA -1.003 60.331 61.300 0.057 0.000 1.068 271 I CB 2.169 40.186 38.000 0.029 0.000 1.251 271 I HN 0.651 nan 8.210 nan 0.000 0.424 272 R N 4.292 124.849 120.500 0.096 0.000 2.562 272 R HA 0.726 5.066 4.340 0.000 0.000 0.298 272 R C 0.175 176.486 176.300 0.018 0.000 0.961 272 R CA 0.377 56.534 56.100 0.095 0.000 0.881 272 R CB 1.685 32.110 30.300 0.208 0.000 1.159 272 R HN 0.900 nan 8.270 nan 0.000 0.450 273 G N 2.733 111.466 108.800 -0.111 0.000 2.499 273 G HA2 -0.262 3.698 3.960 0.000 0.000 0.232 273 G HA3 -0.262 3.698 3.960 0.000 0.000 0.232 273 G C -1.152 173.349 174.900 -0.665 0.000 1.251 273 G CA -0.005 44.946 45.100 -0.249 0.000 0.917 273 G HN 0.656 nan 8.290 nan 0.000 0.580 274 D N 1.757 121.919 120.400 -0.395 0.000 2.365 274 D HA 0.589 5.229 4.640 0.000 0.000 0.237 274 D C 1.425 177.643 176.300 -0.138 0.000 1.190 274 D CA 0.774 54.601 54.000 -0.289 0.000 0.867 274 D CB 0.790 41.731 40.800 0.235 0.000 1.050 274 D HN 0.918 nan 8.370 nan 0.000 0.491 275 A N 3.745 126.480 122.820 -0.141 0.000 2.067 275 A HA -0.025 4.295 4.320 0.000 0.000 0.219 275 A C 2.048 179.652 177.584 0.032 0.000 1.158 275 A CA 1.469 53.482 52.037 -0.040 0.000 0.661 275 A CB -0.171 18.817 19.000 -0.020 0.000 0.801 275 A HN 0.605 nan 8.150 nan 0.000 0.452 276 A N -0.095 122.766 122.820 0.068 0.000 1.930 276 A HA -0.043 4.277 4.320 0.000 0.000 0.217 276 A C 2.009 179.654 177.584 0.103 0.000 1.175 276 A CA 1.930 54.035 52.037 0.113 0.000 0.627 276 A CB -1.004 18.079 19.000 0.138 0.000 0.815 276 A HN 0.789 nan 8.150 nan 0.000 0.443 277 T N -2.469 112.130 114.554 0.074 0.000 3.284 277 T HA 0.482 4.832 4.350 0.000 0.000 0.249 277 T C 1.111 175.836 174.700 0.042 0.000 0.944 277 T CA -0.186 61.957 62.100 0.070 0.000 0.919 277 T CB -0.160 68.740 68.868 0.053 0.000 1.089 277 T HN 0.252 nan 8.240 nan 0.000 0.576 278 L N 0.325 121.568 121.223 0.035 0.000 2.007 278 L HA 0.022 4.362 4.340 0.000 0.000 0.205 278 L C 2.936 179.811 176.870 0.009 0.000 1.073 278 L CA 1.674 56.520 54.840 0.010 0.000 0.744 278 L CB -0.298 41.779 42.059 0.030 0.000 0.898 278 L HN 0.456 nan 8.230 nan 0.000 0.435 279 E N -0.253 119.963 120.200 0.027 0.000 2.058 279 E HA -0.312 4.038 4.350 0.000 0.000 0.194 279 E C 2.148 178.661 176.600 -0.146 0.000 0.997 279 E CA 1.623 58.005 56.400 -0.028 0.000 0.801 279 E CB -0.182 29.533 29.700 0.025 0.000 0.746 279 E HN 0.370 nan 8.360 nan 0.000 0.450 280 F N 1.124 120.909 119.950 -0.275 0.000 2.216 280 F HA -0.156 4.371 4.527 0.000 0.000 0.300 280 F C 2.303 177.949 175.800 -0.256 0.000 1.085 280 F CA 1.717 59.490 58.000 -0.378 0.000 1.326 280 F CB -0.339 38.486 39.000 -0.290 0.000 1.027 280 F HN -0.011 nan 8.300 nan 0.000 0.497 281 T N -0.353 114.140 114.554 -0.101 0.000 2.737 281 T HA -0.248 4.102 4.350 0.000 0.000 0.265 281 T C 1.762 176.392 174.700 -0.117 0.000 1.038 281 T CA 1.598 63.618 62.100 -0.134 0.000 1.144 281 T CB -0.322 68.483 68.868 -0.104 0.000 0.866 281 T HN 0.234 nan 8.240 nan 0.000 0.434 282 Q N 0.860 120.609 119.800 -0.084 0.000 2.077 282 Q HA -0.108 4.232 4.340 0.000 0.000 0.206 282 Q C 2.124 178.058 176.000 -0.111 0.000 0.989 282 Q CA 1.415 57.192 55.803 -0.045 0.000 0.853 282 Q CB -0.854 27.869 28.738 -0.026 0.000 0.907 282 Q HN 0.440 nan 8.270 nan 0.000 0.418 283 L N -0.263 120.809 121.223 -0.251 0.000 1.990 283 L HA -0.230 4.110 4.340 0.000 0.000 0.213 283 L C 2.256 178.978 176.870 -0.247 0.000 1.072 283 L CA 2.142 56.817 54.840 -0.275 0.000 0.755 283 L CB -1.091 40.666 42.059 -0.502 0.000 0.889 283 L HN 0.439 nan 8.230 nan 0.000 0.432 284 C N -0.385 118.689 119.300 -0.377 0.000 2.413 284 C HA -0.174 4.286 4.460 0.000 0.000 0.276 284 C C 2.706 177.708 174.990 0.021 0.000 1.248 284 C CA 0.642 59.502 59.018 -0.263 0.000 1.742 284 C CB -1.086 26.386 27.740 -0.448 0.000 2.017 284 C HN 0.599 nan 8.230 nan 0.000 0.481 285 I N 1.429 122.045 120.570 0.077 0.000 2.208 285 I HA -0.154 4.016 4.170 0.000 0.000 0.245 285 I C 2.087 178.226 176.117 0.036 0.000 1.097 285 I CA 1.814 63.183 61.300 0.115 0.000 1.363 285 I CB -1.542 36.517 38.000 0.099 0.000 1.051 285 I HN 0.351 nan 8.210 nan 0.000 0.413 286 D N 0.880 121.276 120.400 -0.006 0.000 2.117 286 D HA -0.109 4.531 4.640 0.000 0.000 0.197 286 D C 2.000 178.270 176.300 -0.051 0.000 0.987 286 D CA 0.928 54.911 54.000 -0.029 0.000 0.829 286 D CB -0.289 40.493 40.800 -0.030 0.000 0.961 286 D HN 0.296 nan 8.370 nan 0.000 0.460 287 L N -0.001 121.188 121.223 -0.057 0.000 2.713 287 L HA 0.172 4.512 4.340 0.000 0.000 0.245 287 L C 1.176 178.015 176.870 -0.052 0.000 1.169 287 L CA 0.186 54.977 54.840 -0.081 0.000 0.962 287 L CB -0.746 41.241 42.059 -0.120 0.000 1.161 287 L HN 0.117 nan 8.230 nan 0.000 0.427 288 G N -0.810 107.979 108.800 -0.018 0.000 2.160 288 G HA2 -0.308 3.652 3.960 0.000 0.000 0.251 288 G HA3 -0.308 3.652 3.960 0.000 0.000 0.251 288 G C -0.119 174.809 174.900 0.048 0.000 1.008 288 G CA -0.139 44.958 45.100 -0.004 0.000 0.724 288 G HN 0.471 nan 8.290 nan 0.000 0.514 289 W N 1.409 122.646 121.300 -0.105 0.000 2.170 289 W HA 0.594 5.254 4.660 0.000 0.000 0.336 289 W C 0.412 176.889 176.519 -0.070 0.000 1.283 289 W CA -0.824 56.465 57.345 -0.093 0.000 1.224 289 W CB 0.678 30.076 29.460 -0.104 0.000 1.132 289 W HN 0.001 nan 8.180 nan 0.000 0.571 290 K N 7.462 127.372 120.400 -0.817 0.000 2.219 290 K HA 0.176 4.496 4.320 0.000 0.000 0.280 290 K C -2.326 173.498 176.600 -1.292 0.000 1.104 290 K CA -1.616 54.206 56.287 -0.775 0.000 0.925 290 K CB 0.133 32.329 32.500 -0.507 0.000 1.261 290 K HN 0.298 nan 8.250 nan 0.000 0.445 291 P HA 0.138 nan 4.420 nan 0.000 0.269 291 P C 0.130 176.967 177.300 -0.772 0.000 1.252 291 P CA -0.158 62.340 63.100 -1.002 0.000 0.780 291 P CB 0.616 31.802 31.700 -0.857 0.000 0.829 292 R N 2.144 122.294 120.500 -0.582 0.000 2.275 292 R HA -0.006 4.335 4.340 0.000 0.000 0.199 292 R C -0.020 176.184 176.300 -0.162 0.000 0.989 292 R CA -0.098 55.851 56.100 -0.253 0.000 1.016 292 R CB -0.539 29.708 30.300 -0.088 0.000 0.918 292 R HN 0.467 nan 8.270 nan 0.000 0.473 293 Y N 0.094 120.099 120.300 -0.492 0.000 2.942 293 Y HA -0.248 4.302 4.550 0.000 0.000 0.149 293 Y C 0.688 176.480 175.900 -0.180 0.000 1.751 293 Y CA 0.763 58.447 58.100 -0.693 0.000 0.938 293 Y CB -1.480 36.676 38.460 -0.508 0.000 1.525 293 Y HN 0.297 nan 8.280 nan 0.000 0.350 294 G N 0.584 109.520 108.800 0.227 0.000 2.721 294 G HA2 0.599 4.559 3.960 0.000 0.000 0.296 294 G HA3 0.599 4.559 3.960 0.000 0.000 0.296 294 G C 0.154 175.185 174.900 0.218 0.000 1.383 294 G CA -0.949 44.275 45.100 0.206 0.000 0.788 294 G HN 0.209 nan 8.290 nan 0.000 0.500 295 R N -1.243 119.249 120.500 -0.013 0.000 2.127 295 R HA 0.151 4.491 4.340 0.000 0.000 0.217 295 R C 0.023 175.978 176.300 -0.575 0.000 1.074 295 R CA 1.000 56.913 56.100 -0.310 0.000 0.991 295 R CB 0.013 29.959 30.300 -0.589 0.000 0.895 295 R HN 0.307 nan 8.270 nan 0.000 0.450 296 F N 1.087 121.009 119.950 -0.046 0.000 2.542 296 F HA 0.274 4.801 4.527 0.000 0.000 0.323 296 F C -0.831 174.890 175.800 -0.131 0.000 1.411 296 F CA -1.261 56.431 58.000 -0.513 0.000 1.124 296 F CB 0.587 39.128 39.000 -0.766 0.000 1.331 296 F HN -0.299 nan 8.300 nan 0.000 0.560 297 D N 1.506 122.070 120.400 0.273 0.000 2.359 297 D HA 0.227 4.867 4.640 0.000 0.000 0.230 297 D C 0.116 176.691 176.300 0.458 0.000 1.118 297 D CA -0.038 54.197 54.000 0.391 0.000 0.844 297 D CB 2.186 43.278 40.800 0.486 0.000 1.059 297 D HN -0.042 nan 8.370 nan 0.000 0.493 298 V N 3.689 123.852 119.914 0.415 0.000 2.540 298 V HA -0.036 4.084 4.120 0.000 0.000 0.297 298 V C 1.031 177.188 176.094 0.105 0.000 1.024 298 V CA -0.170 62.273 62.300 0.238 0.000 1.105 298 V CB 0.130 32.036 31.823 0.139 0.000 0.938 298 V HN 0.355 nan 8.190 nan 0.000 0.482 299 L N 8.468 129.639 121.223 -0.086 0.000 2.439 299 L HA 0.287 4.627 4.340 0.000 0.000 0.269 299 L C -1.676 175.001 176.870 -0.321 0.000 1.179 299 L CA -1.299 53.339 54.840 -0.336 0.000 0.828 299 L CB 0.677 42.615 42.059 -0.202 0.000 1.106 299 L HN 0.486 nan 8.230 nan 0.000 0.467 300 P HA 0.131 nan 4.420 nan 0.000 0.277 300 P C -0.871 176.298 177.300 -0.219 0.000 1.240 300 P CA -0.474 62.410 63.100 -0.360 0.000 0.798 300 P CB 0.980 32.320 31.700 -0.601 0.000 0.979 301 L N 1.915 123.047 121.223 -0.152 0.000 2.367 301 L HA 0.205 4.545 4.340 0.000 0.000 0.275 301 L C 0.200 177.018 176.870 -0.086 0.000 1.129 301 L CA -0.551 54.240 54.840 -0.081 0.000 0.839 301 L CB 0.872 42.875 42.059 -0.093 0.000 1.133 301 L HN 0.128 nan 8.230 nan 0.000 0.453 302 V N 6.150 126.050 119.914 -0.023 0.000 2.293 302 V HA 0.384 4.504 4.120 0.000 0.000 0.275 302 V C 0.075 176.088 176.094 -0.135 0.000 1.021 302 V CA -0.347 61.870 62.300 -0.137 0.000 0.815 302 V CB 1.224 33.003 31.823 -0.073 0.000 1.025 302 V HN 0.499 nan 8.190 nan 0.000 0.448 303 L N 5.102 126.244 121.223 -0.135 0.000 2.342 303 L HA 0.760 5.100 4.340 0.000 0.000 0.271 303 L C -0.296 176.465 176.870 -0.182 0.000 1.008 303 L CA -0.725 54.067 54.840 -0.079 0.000 0.818 303 L CB 1.975 44.098 42.059 0.106 0.000 1.296 303 L HN 0.729 nan 8.230 nan 0.000 0.427 304 Q N 1.885 121.587 119.800 -0.163 0.000 2.337 304 Q HA 0.834 5.174 4.340 0.000 0.000 0.270 304 Q C -1.614 174.311 176.000 -0.126 0.000 1.043 304 Q CA -0.747 54.961 55.803 -0.158 0.000 0.794 304 Q CB 2.471 31.106 28.738 -0.172 0.000 1.281 304 Q HN 0.719 nan 8.270 nan 0.000 0.446 305 A N 2.539 125.254 122.820 -0.175 0.000 2.340 305 A HA 0.487 4.807 4.320 0.000 0.000 0.331 305 A C -0.333 176.850 177.584 -0.668 0.000 1.140 305 A CA -0.436 51.334 52.037 -0.445 0.000 0.801 305 A CB 1.054 19.980 19.000 -0.124 0.000 1.234 305 A HN 0.998 nan 8.150 nan 0.000 0.469 306 D N 0.582 120.071 120.400 -1.519 0.000 2.916 306 D HA -0.078 4.562 4.640 0.000 0.000 0.209 306 D C 1.408 177.558 176.300 -0.251 0.000 1.255 306 D CA 2.846 56.349 54.000 -0.829 0.000 0.627 306 D CB -0.937 39.582 40.800 -0.469 0.000 0.959 306 D HN 1.779 nan 8.370 nan 0.000 0.393 307 G N -0.047 108.684 108.800 -0.115 0.000 2.454 307 G HA2 -0.367 3.593 3.960 0.000 0.000 0.225 307 G HA3 -0.367 3.593 3.960 0.000 0.000 0.225 307 G C 0.409 175.377 174.900 0.113 0.000 1.138 307 G CA 0.332 45.486 45.100 0.090 0.000 0.667 307 G HN 0.555 nan 8.290 nan 0.000 0.512 308 Q N 1.896 121.721 119.800 0.041 0.000 2.498 308 Q HA 0.106 4.446 4.340 0.000 0.000 0.299 308 Q C 0.379 176.478 176.000 0.165 0.000 1.178 308 Q CA 0.746 56.596 55.803 0.079 0.000 0.997 308 Q CB 0.086 28.835 28.738 0.018 0.000 1.306 308 Q HN 0.611 nan 8.270 nan 0.000 0.468 309 D N 1.639 122.158 120.400 0.199 0.000 2.360 309 D HA 0.190 4.830 4.640 0.000 0.000 0.242 309 D C -2.005 174.265 176.300 -0.049 0.000 1.184 309 D CA -1.055 53.106 54.000 0.267 0.000 0.930 309 D CB -0.055 40.958 40.800 0.354 0.000 1.161 309 D HN 0.273 nan 8.370 nan 0.000 0.447 310 P HA 0.109 nan 4.420 nan 0.000 0.271 310 P C -0.760 176.311 177.300 -0.382 0.000 1.216 310 P CA 0.015 62.776 63.100 -0.564 0.000 0.771 310 P CB 0.880 31.879 31.700 -1.168 0.000 0.864 311 E N 1.296 121.250 120.200 -0.410 0.000 2.165 311 E HA 0.301 4.651 4.350 0.000 0.000 0.266 311 E C -0.656 175.427 176.600 -0.861 0.000 0.889 311 E CA -1.067 54.999 56.400 -0.557 0.000 0.756 311 E CB 1.839 31.236 29.700 -0.505 0.000 1.131 311 E HN 0.196 nan 8.360 nan 0.000 0.411 312 V N 4.574 124.043 119.914 -0.742 0.000 2.455 312 V HA 0.185 4.306 4.120 0.000 0.000 0.273 312 V C -0.555 175.081 176.094 -0.763 0.000 1.045 312 V CA -0.013 61.922 62.300 -0.609 0.000 0.976 312 V CB -0.399 31.235 31.823 -0.316 0.000 0.993 312 V HN 0.491 nan 8.190 nan 0.000 0.475 313 F N 2.537 122.299 119.950 -0.314 0.000 2.445 313 F HA 0.446 4.973 4.527 0.000 0.000 0.348 313 F C 0.300 175.850 175.800 -0.417 0.000 1.125 313 F CA -1.102 56.595 58.000 -0.505 0.000 0.983 313 F CB 1.445 39.726 39.000 -1.197 0.000 1.198 313 F HN 0.483 nan 8.300 nan 0.000 0.436 314 E N 3.668 123.888 120.200 0.033 0.000 2.417 314 E HA 0.201 4.552 4.350 0.000 0.000 0.261 314 E C -0.483 176.216 176.600 0.166 0.000 1.000 314 E CA 0.101 56.586 56.400 0.141 0.000 0.919 314 E CB 0.433 30.271 29.700 0.231 0.000 0.955 314 E HN 0.494 nan 8.360 nan 0.000 0.455 315 I N 7.046 127.704 120.570 0.146 0.000 2.471 315 I HA 0.170 4.340 4.170 0.000 0.000 0.286 315 I C -1.814 174.435 176.117 0.221 0.000 1.079 315 I CA -2.144 59.286 61.300 0.218 0.000 1.398 315 I CB 0.748 38.818 38.000 0.117 0.000 1.403 315 I HN 0.460 nan 8.210 nan 0.000 0.530 316 P HA 0.044 nan 4.420 nan 0.000 0.256 316 P C -1.976 175.387 177.300 0.105 0.000 1.189 316 P CA -0.737 62.452 63.100 0.149 0.000 0.808 316 P CB 0.079 31.835 31.700 0.095 0.000 0.793 317 P HA -0.218 nan 4.420 nan 0.000 0.218 317 P C 0.782 178.118 177.300 0.059 0.000 1.146 317 P CA 1.402 64.552 63.100 0.084 0.000 0.820 317 P CB -0.010 31.741 31.700 0.086 0.000 0.778 318 D N -1.459 118.970 120.400 0.048 0.000 2.348 318 D HA -0.021 4.619 4.640 0.000 0.000 0.216 318 D C 1.648 177.962 176.300 0.023 0.000 0.970 318 D CA 0.824 54.841 54.000 0.029 0.000 0.889 318 D CB 0.026 40.837 40.800 0.019 0.000 0.912 318 D HN 0.294 nan 8.370 nan 0.000 0.524 319 L N 0.019 121.262 121.223 0.032 0.000 2.515 319 L HA 0.083 4.423 4.340 0.000 0.000 0.223 319 L C 0.696 177.582 176.870 0.027 0.000 1.079 319 L CA 0.119 54.974 54.840 0.026 0.000 0.857 319 L CB 0.671 42.751 42.059 0.034 0.000 1.050 319 L HN -0.249 nan 8.230 nan 0.000 0.476 320 V N 2.920 122.856 119.914 0.036 0.000 2.326 320 V HA 0.055 4.175 4.120 0.000 0.000 0.249 320 V C 0.083 176.201 176.094 0.039 0.000 1.114 320 V CA -0.246 62.073 62.300 0.032 0.000 1.028 320 V CB 0.521 32.369 31.823 0.042 0.000 1.170 320 V HN 0.075 nan 8.190 nan 0.000 0.494 321 L N 5.887 127.130 121.223 0.034 0.000 2.319 321 L HA 0.460 4.800 4.340 0.000 0.000 0.280 321 L C 0.170 177.056 176.870 0.026 0.000 1.099 321 L CA 0.666 55.516 54.840 0.016 0.000 0.828 321 L CB 0.562 42.621 42.059 -0.000 0.000 1.150 321 L HN 0.630 nan 8.230 nan 0.000 0.442 322 E N 3.336 123.533 120.200 -0.006 0.000 2.320 322 E HA 0.638 4.988 4.350 0.000 0.000 0.264 322 E C -1.459 175.067 176.600 -0.123 0.000 0.923 322 E CA -1.075 55.314 56.400 -0.018 0.000 0.796 322 E CB 2.494 32.210 29.700 0.027 0.000 1.262 322 E HN 0.381 nan 8.360 nan 0.000 0.428 323 V N 1.520 121.333 119.914 -0.169 0.000 2.487 323 V HA 0.263 4.383 4.120 0.000 0.000 0.298 323 V C -0.410 175.626 176.094 -0.098 0.000 1.028 323 V CA -0.750 61.398 62.300 -0.254 0.000 0.860 323 V CB 1.909 33.334 31.823 -0.663 0.000 0.991 323 V HN 0.694 nan 8.190 nan 0.000 0.427 324 T N 6.441 120.950 114.554 -0.075 0.000 2.780 324 T HA 0.394 4.744 4.350 0.000 0.000 0.294 324 T C 0.144 174.872 174.700 0.048 0.000 0.949 324 T CA -0.490 61.598 62.100 -0.021 0.000 1.074 324 T CB 0.550 69.407 68.868 -0.019 0.000 0.910 324 T HN 0.345 nan 8.240 nan 0.000 0.501 325 M N 4.483 124.153 119.600 0.118 0.000 2.188 325 M HA 0.272 4.752 4.480 0.000 0.000 0.354 325 M C 0.439 176.928 176.300 0.315 0.000 1.342 325 M CA -0.159 55.293 55.300 0.253 0.000 1.117 325 M CB -0.438 32.384 32.600 0.369 0.000 1.670 325 M HN 0.758 nan 8.290 nan 0.000 0.466 326 E N 1.630 122.003 120.200 0.288 0.000 2.347 326 E HA 0.312 4.662 4.350 0.000 0.000 0.285 326 E C -1.237 175.413 176.600 0.084 0.000 0.925 326 E CA -0.817 55.751 56.400 0.280 0.000 0.779 326 E CB 1.405 31.210 29.700 0.175 0.000 1.233 326 E HN 0.601 nan 8.360 nan 0.000 0.414 327 H N 4.206 123.164 119.070 -0.187 0.000 2.582 327 H HA 0.165 4.721 4.556 0.000 0.000 0.345 327 H C -1.537 173.636 175.328 -0.259 0.000 1.104 327 H CA -1.862 53.924 56.048 -0.435 0.000 1.390 327 H CB 1.669 30.999 29.762 -0.721 0.000 1.461 327 H HN 0.495 nan 8.280 nan 0.000 0.551 328 P HA -0.061 nan 4.420 nan 0.000 0.234 328 P C 0.407 177.673 177.300 -0.057 0.000 1.167 328 P CA 0.951 63.777 63.100 -0.457 0.000 0.763 328 P CB 0.757 31.924 31.700 -0.887 0.000 0.835 329 K N -1.967 118.581 120.400 0.246 0.000 2.556 329 K HA 0.129 4.449 4.320 0.000 0.000 0.201 329 K C 0.263 177.013 176.600 0.249 0.000 1.423 329 K CA 0.385 56.814 56.287 0.237 0.000 1.010 329 K CB 0.058 32.745 32.500 0.311 0.000 1.409 329 K HN 0.070 nan 8.250 nan 0.000 0.538 330 Y N 3.568 123.693 120.300 -0.293 0.000 2.627 330 Y HA 0.178 4.728 4.550 0.000 0.000 0.347 330 Y C 1.118 176.729 175.900 -0.482 0.000 1.099 330 Y CA -0.829 56.927 58.100 -0.572 0.000 1.408 330 Y CB 0.301 38.050 38.460 -1.186 0.000 1.247 330 Y HN -0.039 nan 8.280 nan 0.000 0.506 331 E N 2.089 122.252 120.200 -0.061 0.000 2.409 331 E HA -0.162 4.188 4.350 0.000 0.000 0.198 331 E C 1.678 178.331 176.600 0.087 0.000 1.024 331 E CA 0.503 56.921 56.400 0.031 0.000 0.861 331 E CB -0.216 29.532 29.700 0.081 0.000 0.788 331 E HN 0.863 nan 8.360 nan 0.000 0.521 332 W N -0.983 120.415 121.300 0.164 0.000 2.905 332 W HA 0.076 4.736 4.660 0.000 0.000 0.251 332 W C 1.399 178.011 176.519 0.155 0.000 1.305 332 W CA -0.403 57.014 57.345 0.121 0.000 1.465 332 W CB -1.061 28.444 29.460 0.075 0.000 1.122 332 W HN -0.093 nan 8.180 nan 0.000 0.659 333 F N 2.724 122.442 119.950 -0.388 0.000 2.134 333 F HA -0.229 4.298 4.527 0.000 0.000 0.299 333 F C 2.982 178.768 175.800 -0.023 0.000 1.097 333 F CA 2.759 60.574 58.000 -0.309 0.000 1.264 333 F CB -0.604 38.135 39.000 -0.435 0.000 1.001 333 F HN -0.096 nan 8.300 nan 0.000 0.479 334 Q N 0.349 120.238 119.800 0.148 0.000 2.135 334 Q HA -0.257 4.083 4.340 0.000 0.000 0.204 334 Q C 1.881 177.912 176.000 0.052 0.000 0.981 334 Q CA 1.980 57.846 55.803 0.104 0.000 0.856 334 Q CB -0.255 28.551 28.738 0.112 0.000 0.902 334 Q HN 0.543 nan 8.270 nan 0.000 0.425 335 E N 0.118 120.372 120.200 0.089 0.000 2.331 335 E HA -0.171 4.179 4.350 0.000 0.000 0.199 335 E C 1.771 178.397 176.600 0.044 0.000 1.008 335 E CA 0.649 57.102 56.400 0.088 0.000 0.843 335 E CB -0.050 29.738 29.700 0.145 0.000 0.761 335 E HN 0.452 nan 8.360 nan 0.000 0.507 336 L N -0.314 120.890 121.223 -0.030 0.000 2.376 336 L HA 0.014 4.354 4.340 0.000 0.000 0.219 336 L C 1.421 178.269 176.870 -0.037 0.000 1.133 336 L CA 0.441 55.228 54.840 -0.089 0.000 0.816 336 L CB -0.442 41.428 42.059 -0.315 0.000 0.933 336 L HN 0.237 nan 8.230 nan 0.000 0.449 337 G N 1.243 110.036 108.800 -0.011 0.000 2.295 337 G HA2 -0.277 3.683 3.960 0.000 0.000 0.287 337 G HA3 -0.277 3.683 3.960 0.000 0.000 0.287 337 G C 0.009 174.980 174.900 0.118 0.000 1.055 337 G CA 0.033 45.169 45.100 0.060 0.000 0.922 337 G HN 0.237 nan 8.290 nan 0.000 0.503 338 L N -0.763 120.460 121.223 -0.001 0.000 2.360 338 L HA 0.834 5.174 4.340 0.000 0.000 0.271 338 L C 0.643 177.426 176.870 -0.146 0.000 1.057 338 L CA -0.618 54.209 54.840 -0.021 0.000 0.803 338 L CB 1.748 43.666 42.059 -0.235 0.000 1.207 338 L HN 0.559 nan 8.230 nan 0.000 0.445 339 K N 0.499 120.669 120.400 -0.384 0.000 2.607 339 K HA 0.462 4.782 4.320 0.000 0.000 0.287 339 K C -2.100 174.491 176.600 -0.014 0.000 0.996 339 K CA -1.071 55.070 56.287 -0.243 0.000 0.876 339 K CB 2.050 34.306 32.500 -0.407 0.000 1.496 339 K HN 0.583 nan 8.250 nan 0.000 0.415 340 W N 2.094 123.339 121.300 -0.093 0.000 3.213 340 W HA 0.340 5.001 4.660 0.000 0.000 0.318 340 W C -1.223 175.322 176.519 0.043 0.000 1.248 340 W CA -0.843 56.499 57.345 -0.004 0.000 1.187 340 W CB 1.627 30.947 29.460 -0.234 0.000 1.403 340 W HN 0.691 nan 8.180 nan 0.000 0.556 341 Y N 1.146 121.258 120.300 -0.313 0.000 2.397 341 Y HA 0.464 5.014 4.550 0.000 0.000 0.335 341 Y C 0.804 176.828 175.900 0.206 0.000 1.213 341 Y CA 0.107 58.133 58.100 -0.123 0.000 1.391 341 Y CB 0.134 38.417 38.460 -0.295 0.000 1.293 341 Y HN 0.351 nan 8.280 nan 0.000 0.557 342 A N 2.723 125.728 122.820 0.308 0.000 2.169 342 A HA 0.151 4.471 4.320 0.000 0.000 0.212 342 A C 0.230 178.129 177.584 0.525 0.000 1.153 342 A CA 0.157 52.430 52.037 0.393 0.000 0.756 342 A CB -0.257 18.804 19.000 0.102 0.000 0.813 342 A HN 0.649 nan 8.150 nan 0.000 0.471 343 L N 1.592 123.095 121.223 0.467 0.000 2.294 343 L HA 0.454 4.794 4.340 0.000 0.000 0.283 343 L C -2.684 174.337 176.870 0.252 0.000 1.015 343 L CA -2.224 52.791 54.840 0.292 0.000 0.831 343 L CB 1.914 44.057 42.059 0.140 0.000 1.217 343 L HN -0.087 nan 8.230 nan 0.000 0.420 344 P HA 0.378 nan 4.420 nan 0.000 0.291 344 P C -1.420 175.775 177.300 -0.174 0.000 1.378 344 P CA -0.293 62.627 63.100 -0.299 0.000 0.853 344 P CB 1.300 32.413 31.700 -0.978 0.000 1.002 345 A N 4.422 127.172 122.820 -0.117 0.000 2.375 345 A HA 0.450 4.770 4.320 0.000 0.000 0.291 345 A C -0.249 177.162 177.584 -0.288 0.000 1.160 345 A CA -0.678 51.253 52.037 -0.176 0.000 0.747 345 A CB 1.097 20.050 19.000 -0.078 0.000 1.170 345 A HN 0.280 nan 8.150 nan 0.000 0.458 346 V N 2.507 122.088 119.914 -0.554 0.000 2.521 346 V HA 0.342 4.462 4.120 0.000 0.000 0.286 346 V C 1.258 176.971 176.094 -0.635 0.000 1.034 346 V CA 0.941 62.840 62.300 -0.667 0.000 1.045 346 V CB 0.652 31.857 31.823 -1.031 0.000 0.974 346 V HN 1.094 nan 8.190 nan 0.000 0.480 347 A N 4.478 127.089 122.820 -0.348 0.000 1.944 347 A HA 0.040 4.360 4.320 0.000 0.000 0.209 347 A C 1.645 179.145 177.584 -0.140 0.000 1.328 347 A CA 0.608 52.518 52.037 -0.212 0.000 0.693 347 A CB -0.405 18.522 19.000 -0.121 0.000 0.994 347 A HN 0.901 nan 8.150 nan 0.000 0.485 348 N N -0.468 118.172 118.700 -0.100 0.000 2.627 348 N HA 0.019 4.759 4.740 0.000 0.000 0.196 348 N C 0.246 175.755 175.510 -0.001 0.000 1.268 348 N CA 0.049 53.082 53.050 -0.027 0.000 0.904 348 N CB -0.231 38.250 38.487 -0.009 0.000 1.016 348 N HN 0.432 nan 8.380 nan 0.000 0.448 349 M N 1.159 120.741 119.600 -0.030 0.000 2.409 349 M HA 0.325 4.805 4.480 0.000 0.000 0.329 349 M C -0.471 175.930 176.300 0.168 0.000 1.180 349 M CA -0.829 54.505 55.300 0.055 0.000 1.053 349 M CB 2.392 35.007 32.600 0.026 0.000 1.586 349 M HN 0.113 nan 8.290 nan 0.000 0.461 350 L N 2.922 124.283 121.223 0.230 0.000 2.309 350 L HA 0.594 4.934 4.340 0.000 0.000 0.282 350 L C -1.443 175.646 176.870 0.365 0.000 1.036 350 L CA -0.965 54.041 54.840 0.276 0.000 0.806 350 L CB 1.360 43.550 42.059 0.219 0.000 1.220 350 L HN 0.605 nan 8.230 nan 0.000 0.429 351 L N 4.851 126.291 121.223 0.362 0.000 2.296 351 L HA 0.521 4.861 4.340 0.000 0.000 0.286 351 L C -0.667 176.379 176.870 0.294 0.000 1.023 351 L CA 0.165 55.176 54.840 0.284 0.000 0.812 351 L CB 1.365 43.563 42.059 0.232 0.000 1.223 351 L HN 0.650 nan 8.230 nan 0.000 0.421 352 E N 4.661 124.985 120.200 0.208 0.000 2.199 352 E HA 0.598 4.948 4.350 0.000 0.000 0.269 352 E C -1.995 174.642 176.600 0.060 0.000 0.899 352 E CA -0.510 55.979 56.400 0.147 0.000 0.772 352 E CB 2.134 31.923 29.700 0.148 0.000 1.155 352 E HN 0.568 nan 8.360 nan 0.000 0.408 353 V N 2.780 122.696 119.914 0.003 0.000 2.924 353 V HA 0.490 4.610 4.120 0.000 0.000 0.300 353 V C 0.258 176.264 176.094 -0.147 0.000 1.227 353 V CA 0.466 62.671 62.300 -0.158 0.000 0.954 353 V CB 1.490 33.127 31.823 -0.310 0.000 1.055 353 V HN 0.903 nan 8.190 nan 0.000 0.429 354 G N 4.174 112.921 108.800 -0.087 0.000 2.379 354 G HA2 0.057 4.017 3.960 0.000 0.000 0.297 354 G HA3 0.057 4.017 3.960 0.000 0.000 0.297 354 G C 1.657 176.723 174.900 0.277 0.000 1.004 354 G CA 1.571 46.797 45.100 0.210 0.000 0.921 354 G HN 2.746 nan 8.290 nan 0.000 0.511 355 G N -2.279 106.619 108.800 0.163 0.000 2.304 355 G HA2 -0.204 3.756 3.960 0.000 0.000 0.252 355 G HA3 -0.204 3.756 3.960 0.000 0.000 0.252 355 G C 0.440 175.405 174.900 0.108 0.000 1.014 355 G CA 0.644 45.879 45.100 0.225 0.000 0.619 355 G HN 1.298 nan 8.290 nan 0.000 0.525 356 L N 2.148 123.400 121.223 0.048 0.000 2.326 356 L HA 0.591 4.931 4.340 0.000 0.000 0.278 356 L C 0.532 177.251 176.870 -0.251 0.000 1.092 356 L CA -0.496 54.254 54.840 -0.150 0.000 0.810 356 L CB 1.117 42.984 42.059 -0.320 0.000 1.153 356 L HN 0.595 nan 8.230 nan 0.000 0.439 357 E N 3.231 123.230 120.200 -0.335 0.000 2.222 357 E HA 0.416 4.766 4.350 0.000 0.000 0.267 357 E C -1.637 174.735 176.600 -0.381 0.000 0.884 357 E CA -0.610 55.647 56.400 -0.238 0.000 0.764 357 E CB 1.393 31.037 29.700 -0.094 0.000 1.169 357 E HN 0.260 nan 8.360 nan 0.000 0.413 358 F N 2.956 122.927 119.950 0.036 0.000 2.325 358 F HA 0.280 4.807 4.527 0.000 0.000 0.369 358 F C -1.518 174.346 175.800 0.108 0.000 1.095 358 F CA -2.489 55.551 58.000 0.067 0.000 1.082 358 F CB 1.631 40.662 39.000 0.053 0.000 1.289 358 F HN 0.386 nan 8.300 nan 0.000 0.462 359 P HA -0.052 nan 4.420 nan 0.000 0.230 359 P C 0.004 177.426 177.300 0.204 0.000 1.158 359 P CA 0.705 63.920 63.100 0.191 0.000 0.769 359 P CB 0.502 32.292 31.700 0.150 0.000 0.807 360 A N 0.111 123.088 122.820 0.261 0.000 2.353 360 A HA 0.565 4.885 4.320 0.000 0.000 0.299 360 A C -0.125 177.662 177.584 0.338 0.000 1.089 360 A CA -0.377 51.799 52.037 0.231 0.000 0.736 360 A CB 0.563 19.638 19.000 0.125 0.000 1.195 360 A HN 0.294 nan 8.150 nan 0.000 0.447 361 C N 0.577 120.036 119.300 0.265 0.000 2.629 361 C HA 0.386 4.847 4.460 0.000 0.000 0.252 361 C C -2.992 172.064 174.990 0.111 0.000 0.933 361 C CA -1.305 57.835 59.018 0.204 0.000 0.891 361 C CB -0.754 27.081 27.740 0.158 0.000 1.708 361 C HN 0.583 nan 8.230 nan 0.000 0.711 362 P HA 0.340 nan 4.420 nan 0.000 0.266 362 P C -0.492 176.734 177.300 -0.122 0.000 1.193 362 P CA 1.025 64.036 63.100 -0.148 0.000 0.770 362 P CB 0.461 32.129 31.700 -0.054 0.000 0.836 363 F N -0.330 119.558 119.950 -0.104 0.000 2.643 363 F HA 0.695 5.222 4.527 0.000 0.000 0.314 363 F C -0.791 174.937 175.800 -0.120 0.000 1.096 363 F CA -1.191 56.737 58.000 -0.119 0.000 0.953 363 F CB 1.595 40.361 39.000 -0.389 0.000 1.345 363 F HN 0.393 nan 8.300 nan 0.000 0.468 364 N N -0.249 118.528 118.700 0.128 0.000 2.708 364 N HA 0.731 5.471 4.740 0.000 0.000 0.257 364 N C -1.353 174.051 175.510 -0.177 0.000 1.373 364 N CA -0.377 52.647 53.050 -0.044 0.000 0.843 364 N CB 1.943 40.395 38.487 -0.058 0.000 1.503 364 N HN 1.170 nan 8.380 nan 0.000 0.504 365 G N -0.922 107.751 108.800 -0.213 0.000 2.947 365 G HA2 0.650 4.610 3.960 0.000 0.000 0.293 365 G HA3 0.650 4.610 3.960 0.000 0.000 0.293 365 G C -1.881 172.961 174.900 -0.097 0.000 1.243 365 G CA -0.861 44.050 45.100 -0.316 0.000 0.802 365 G HN 0.688 nan 8.290 nan 0.000 0.560 366 W N -1.366 119.909 121.300 -0.041 0.000 2.655 366 W HA 0.822 5.482 4.660 0.000 0.000 0.358 366 W C -1.050 175.444 176.519 -0.042 0.000 1.100 366 W CA -1.904 55.435 57.345 -0.009 0.000 1.195 366 W CB 0.396 29.890 29.460 0.058 0.000 1.403 366 W HN 0.428 nan 8.180 nan 0.000 0.589 367 Y N 1.901 122.362 120.300 0.268 0.000 2.330 367 Y HA 0.259 4.809 4.550 0.000 0.000 0.341 367 Y C 0.617 176.537 175.900 0.033 0.000 1.278 367 Y CA -0.516 57.615 58.100 0.052 0.000 1.453 367 Y CB 1.012 39.402 38.460 -0.116 0.000 1.342 367 Y HN 0.405 nan 8.280 nan 0.000 0.590 368 M N 1.851 121.558 119.600 0.179 0.000 2.085 368 M HA 0.321 4.801 4.480 0.000 0.000 0.309 368 M C 0.980 177.226 176.300 -0.091 0.000 0.947 368 M CA -0.230 55.099 55.300 0.048 0.000 0.918 368 M CB 1.136 33.752 32.600 0.026 0.000 1.504 368 M HN 0.862 nan 8.290 nan 0.000 0.420 369 G N 2.178 110.874 108.800 -0.174 0.000 2.805 369 G HA2 -0.422 3.538 3.960 0.000 0.000 0.227 369 G HA3 -0.422 3.538 3.960 0.000 0.000 0.227 369 G C 1.107 175.814 174.900 -0.322 0.000 1.143 369 G CA 2.344 47.272 45.100 -0.288 0.000 0.759 369 G HN 0.849 nan 8.290 nan 0.000 0.634 370 T N -1.243 113.132 114.554 -0.297 0.000 2.803 370 T HA -0.064 4.286 4.350 0.000 0.000 0.269 370 T C 1.928 176.438 174.700 -0.317 0.000 1.052 370 T CA 1.751 63.642 62.100 -0.348 0.000 1.136 370 T CB -0.292 68.318 68.868 -0.430 0.000 0.864 370 T HN 0.567 nan 8.240 nan 0.000 0.467 371 E N 0.857 120.899 120.200 -0.263 0.000 2.038 371 E HA -0.078 4.272 4.350 0.000 0.000 0.195 371 E C 2.153 178.484 176.600 -0.448 0.000 1.000 371 E CA 1.607 57.870 56.400 -0.229 0.000 0.803 371 E CB -0.292 29.419 29.700 0.019 0.000 0.750 371 E HN 0.595 nan 8.360 nan 0.000 0.448 372 I N 0.133 120.277 120.570 -0.710 0.000 2.162 372 I HA -0.121 4.049 4.170 0.000 0.000 0.238 372 I C 2.611 178.108 176.117 -1.034 0.000 1.076 372 I CA 1.119 61.669 61.300 -1.250 0.000 1.353 372 I CB -0.650 36.492 38.000 -1.430 0.000 1.063 372 I HN 0.148 nan 8.210 nan 0.000 0.408 373 G N 0.582 109.032 108.800 -0.584 0.000 2.418 373 G HA2 -0.146 3.814 3.960 0.000 0.000 0.217 373 G HA3 -0.146 3.814 3.960 0.000 0.000 0.217 373 G C 1.637 176.462 174.900 -0.126 0.000 1.158 373 G CA 1.152 46.124 45.100 -0.214 0.000 0.771 373 G HN 0.248 nan 8.290 nan 0.000 0.545 374 V N 0.221 120.004 119.914 -0.218 0.000 2.492 374 V HA 0.061 4.182 4.120 0.000 0.000 0.241 374 V C 2.810 178.818 176.094 -0.144 0.000 1.041 374 V CA 1.029 63.233 62.300 -0.160 0.000 1.057 374 V CB -0.268 31.430 31.823 -0.209 0.000 0.711 374 V HN 0.144 nan 8.190 nan 0.000 0.468 375 R N 0.728 121.101 120.500 -0.211 0.000 2.052 375 R HA -0.027 4.313 4.340 0.000 0.000 0.224 375 R C 2.028 178.245 176.300 -0.139 0.000 1.165 375 R CA 1.534 57.532 56.100 -0.170 0.000 0.939 375 R CB -1.169 29.014 30.300 -0.195 0.000 0.834 375 R HN 0.453 nan 8.270 nan 0.000 0.435 376 D N 0.706 120.923 120.400 -0.306 0.000 2.116 376 D HA -0.162 4.478 4.640 0.000 0.000 0.193 376 D C 1.919 178.196 176.300 -0.037 0.000 0.998 376 D CA 1.282 55.085 54.000 -0.328 0.000 0.836 376 D CB -0.277 39.810 40.800 -1.188 0.000 0.951 376 D HN 0.093 nan 8.370 nan 0.000 0.449 377 F N 0.312 120.139 119.950 -0.205 0.000 2.270 377 F HA 0.014 4.541 4.527 0.000 0.000 0.295 377 F C 2.417 178.246 175.800 0.048 0.000 1.087 377 F CA -0.158 57.810 58.000 -0.053 0.000 1.365 377 F CB -0.662 38.273 39.000 -0.108 0.000 1.056 377 F HN 0.044 nan 8.300 nan 0.000 0.506 378 C N -1.257 118.157 119.300 0.189 0.000 2.865 378 C HA 0.176 4.636 4.460 0.000 0.000 0.280 378 C C 0.453 175.493 174.990 0.084 0.000 1.255 378 C CA -0.733 58.357 59.018 0.120 0.000 1.705 378 C CB -0.710 27.067 27.740 0.061 0.000 2.080 378 C HN 0.086 nan 8.230 nan 0.000 0.591 379 D N 1.803 122.249 120.400 0.077 0.000 2.443 379 D HA 0.082 4.722 4.640 0.000 0.000 0.239 379 D C 1.534 177.888 176.300 0.092 0.000 1.136 379 D CA 0.525 54.564 54.000 0.065 0.000 0.879 379 D CB 0.918 41.756 40.800 0.063 0.000 1.195 379 D HN 0.399 nan 8.370 nan 0.000 0.443 380 T N -0.784 113.815 114.554 0.076 0.000 2.962 380 T HA -0.199 4.151 4.350 0.000 0.000 0.270 380 T C 1.332 176.081 174.700 0.082 0.000 1.088 380 T CA 0.686 62.833 62.100 0.078 0.000 1.127 380 T CB -0.040 68.867 68.868 0.065 0.000 0.883 380 T HN 0.508 nan 8.240 nan 0.000 0.493 381 Q N 0.268 120.123 119.800 0.092 0.000 2.425 381 Q HA 0.142 4.482 4.340 0.000 0.000 0.204 381 Q C 1.111 177.168 176.000 0.095 0.000 0.933 381 Q CA 0.046 55.909 55.803 0.100 0.000 0.939 381 Q CB 0.192 29.012 28.738 0.137 0.000 1.044 381 Q HN 0.378 nan 8.270 nan 0.000 0.513 382 R N -0.143 120.422 120.500 0.109 0.000 2.618 382 R HA 0.231 4.571 4.340 0.000 0.000 0.108 382 R C 1.349 177.705 176.300 0.093 0.000 1.220 382 R CA -0.367 55.813 56.100 0.134 0.000 1.020 382 R CB -1.043 29.402 30.300 0.242 0.000 0.950 382 R HN 0.080 nan 8.270 nan 0.000 0.397 383 Y N 1.708 122.134 120.300 0.210 0.000 2.632 383 Y HA -0.030 4.520 4.550 0.000 0.000 0.301 383 Y C 0.537 176.527 175.900 0.150 0.000 1.172 383 Y CA 0.308 58.538 58.100 0.218 0.000 1.328 383 Y CB -0.632 38.046 38.460 0.364 0.000 1.016 383 Y HN 0.447 nan 8.280 nan 0.000 0.529 384 N N 1.416 120.257 118.700 0.236 0.000 2.770 384 N HA -0.237 4.503 4.740 0.000 0.000 0.283 384 N C 0.421 176.025 175.510 0.158 0.000 1.009 384 N CA 0.854 54.002 53.050 0.164 0.000 0.828 384 N CB -1.013 37.542 38.487 0.114 0.000 0.939 384 N HN 0.676 nan 8.380 nan 0.000 0.580 385 I N -2.800 117.871 120.570 0.168 0.000 4.018 385 I HA 0.083 4.253 4.170 0.000 0.000 0.337 385 I C 1.592 177.799 176.117 0.151 0.000 1.327 385 I CA -0.569 60.807 61.300 0.127 0.000 1.100 385 I CB -0.032 38.001 38.000 0.054 0.000 1.025 385 I HN 0.169 nan 8.210 nan 0.000 0.396 386 L N 1.972 123.297 121.223 0.170 0.000 1.997 386 L HA -0.257 4.083 4.340 0.000 0.000 0.216 386 L C 2.549 179.648 176.870 0.382 0.000 1.074 386 L CA 2.577 57.547 54.840 0.216 0.000 0.763 386 L CB -0.667 41.458 42.059 0.110 0.000 0.890 386 L HN 0.585 nan 8.230 nan 0.000 0.434 387 E N -0.359 120.056 120.200 0.359 0.000 2.051 387 E HA -0.308 4.042 4.350 0.000 0.000 0.192 387 E C 1.942 178.610 176.600 0.114 0.000 0.991 387 E CA 1.597 58.181 56.400 0.306 0.000 0.799 387 E CB 0.040 29.846 29.700 0.176 0.000 0.748 387 E HN 0.425 nan 8.360 nan 0.000 0.449 388 E N 0.215 120.477 120.200 0.103 0.000 2.085 388 E HA -0.163 4.187 4.350 0.000 0.000 0.194 388 E C 1.972 178.618 176.600 0.078 0.000 0.994 388 E CA 1.666 58.096 56.400 0.050 0.000 0.801 388 E CB -0.208 29.522 29.700 0.050 0.000 0.743 388 E HN 0.199 nan 8.360 nan 0.000 0.453 389 V N 0.141 120.166 119.914 0.186 0.000 2.427 389 V HA -0.110 4.010 4.120 0.000 0.000 0.248 389 V C 2.324 178.603 176.094 0.308 0.000 1.051 389 V CA 1.795 64.289 62.300 0.324 0.000 1.048 389 V CB -0.970 31.077 31.823 0.374 0.000 0.666 389 V HN 0.488 nan 8.190 nan 0.000 0.456 390 G N -0.561 108.412 108.800 0.288 0.000 2.448 390 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 390 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 390 G C 1.703 176.567 174.900 -0.060 0.000 1.135 390 G CA 0.580 45.820 45.100 0.234 0.000 0.784 390 G HN 0.379 nan 8.290 nan 0.000 0.543 391 R N 0.359 120.779 120.500 -0.133 0.000 2.061 391 R HA 0.101 4.442 4.340 0.000 0.000 0.230 391 R C 2.615 178.768 176.300 -0.245 0.000 1.140 391 R CA 1.057 57.032 56.100 -0.209 0.000 0.940 391 R CB -0.285 29.910 30.300 -0.175 0.000 0.839 391 R HN 0.185 nan 8.270 nan 0.000 0.429 392 R N -0.431 119.859 120.500 -0.349 0.000 2.328 392 R HA -0.015 4.325 4.340 0.000 0.000 0.207 392 R C 1.668 177.535 176.300 -0.722 0.000 1.056 392 R CA 0.859 56.522 56.100 -0.730 0.000 1.016 392 R CB -0.060 29.459 30.300 -1.300 0.000 0.872 392 R HN 0.311 nan 8.270 nan 0.000 0.471 393 M N -0.684 118.780 119.600 -0.226 0.000 2.495 393 M HA 0.105 4.585 4.480 0.000 0.000 0.237 393 M C 0.703 176.990 176.300 -0.022 0.000 1.131 393 M CA 0.402 55.745 55.300 0.073 0.000 1.032 393 M CB 0.780 33.575 32.600 0.324 0.000 1.513 393 M HN 0.388 nan 8.290 nan 0.000 0.488 394 G N 1.968 110.696 108.800 -0.119 0.000 2.198 394 G HA2 -0.244 3.716 3.960 0.000 0.000 0.260 394 G HA3 -0.244 3.716 3.960 0.000 0.000 0.260 394 G C -0.063 174.797 174.900 -0.067 0.000 1.025 394 G CA 0.003 45.040 45.100 -0.106 0.000 0.769 394 G HN 0.415 nan 8.290 nan 0.000 0.507 395 L N -0.850 120.334 121.223 -0.066 0.000 2.416 395 L HA 0.460 4.800 4.340 0.000 0.000 0.262 395 L C 0.876 177.637 176.870 -0.181 0.000 1.093 395 L CA -0.866 53.945 54.840 -0.048 0.000 0.801 395 L CB 0.665 42.768 42.059 0.073 0.000 1.191 395 L HN 0.130 nan 8.230 nan 0.000 0.459 396 E N 0.288 120.408 120.200 -0.133 0.000 1.842 396 E HA 0.015 4.365 4.350 0.000 0.000 0.278 396 E C 0.475 176.785 176.600 -0.483 0.000 1.171 396 E CA -0.139 56.160 56.400 -0.168 0.000 1.127 396 E CB 0.124 29.815 29.700 -0.015 0.000 1.100 396 E HN 0.524 nan 8.360 nan 0.000 0.456 397 T N 0.916 114.969 114.554 -0.834 0.000 2.946 397 T HA -0.142 4.208 4.350 0.000 0.000 0.271 397 T C 0.957 175.171 174.700 -0.810 0.000 1.104 397 T CA 0.939 62.127 62.100 -1.520 0.000 1.114 397 T CB -0.101 67.998 68.868 -1.281 0.000 0.867 397 T HN 0.518 nan 8.240 nan 0.000 0.513 398 H N 0.219 119.141 119.070 -0.248 0.000 2.551 398 H HA 0.200 4.756 4.556 0.000 0.000 0.271 398 H C 0.146 175.504 175.328 0.049 0.000 0.984 398 H CA 0.379 56.397 56.048 -0.050 0.000 1.164 398 H CB 0.501 30.228 29.762 -0.059 0.000 1.437 398 H HN 0.198 nan 8.280 nan 0.000 0.550 399 T N 2.657 117.308 114.554 0.161 0.000 2.864 399 T HA 0.105 4.455 4.350 0.000 0.000 0.310 399 T C 1.186 176.070 174.700 0.307 0.000 1.040 399 T CA -0.489 61.727 62.100 0.194 0.000 0.977 399 T CB 1.704 70.656 68.868 0.140 0.000 0.976 399 T HN -0.054 nan 8.240 nan 0.000 0.459 400 L N 2.634 124.006 121.223 0.249 0.000 2.012 400 L HA -0.082 4.258 4.340 0.000 0.000 0.210 400 L C 2.700 179.651 176.870 0.136 0.000 1.073 400 L CA 2.005 56.959 54.840 0.191 0.000 0.748 400 L CB -1.514 40.608 42.059 0.104 0.000 0.891 400 L HN 0.797 nan 8.230 nan 0.000 0.431 401 A N -0.622 122.269 122.820 0.119 0.000 2.131 401 A HA -0.195 4.125 4.320 0.000 0.000 0.220 401 A C 2.386 180.034 177.584 0.106 0.000 1.158 401 A CA 1.669 53.760 52.037 0.090 0.000 0.665 401 A CB -0.654 18.390 19.000 0.074 0.000 0.795 401 A HN 0.618 nan 8.150 nan 0.000 0.460 402 S N -0.643 115.158 115.700 0.168 0.000 2.474 402 S HA 0.042 4.513 4.470 0.000 0.000 0.235 402 S C 0.922 175.627 174.600 0.174 0.000 0.997 402 S CA 0.789 59.097 58.200 0.180 0.000 0.949 402 S CB -0.695 62.644 63.200 0.231 0.000 0.766 402 S HN 0.899 nan 8.310 nan 0.000 0.517 403 L N 0.188 121.490 121.223 0.132 0.000 4.040 403 L HA -0.165 4.175 4.340 0.000 0.000 0.410 403 L C 1.599 178.505 176.870 0.060 0.000 1.187 403 L CA 0.811 55.672 54.840 0.035 0.000 0.956 403 L CB -2.657 39.423 42.059 0.036 0.000 2.022 403 L HN 0.774 nan 8.230 nan 0.000 0.897 404 W N 0.310 121.631 121.300 0.034 0.000 2.374 404 W HA -0.134 4.526 4.660 0.000 0.000 0.288 404 W C 1.661 178.207 176.519 0.045 0.000 1.218 404 W CA 1.232 58.602 57.345 0.041 0.000 1.245 404 W CB -0.683 28.797 29.460 0.032 0.000 1.126 404 W HN 0.277 nan 8.180 nan 0.000 0.545 405 K N 0.943 120.909 120.400 -0.724 0.000 2.097 405 K HA -0.141 4.179 4.320 0.000 0.000 0.205 405 K C 1.430 177.883 176.600 -0.246 0.000 1.050 405 K CA 2.156 58.025 56.287 -0.698 0.000 0.938 405 K CB -0.274 31.701 32.500 -0.875 0.000 0.718 405 K HN 0.044 nan 8.250 nan 0.000 0.442 406 D N 0.135 120.437 120.400 -0.163 0.000 2.183 406 D HA -0.095 4.545 4.640 0.000 0.000 0.203 406 D C 1.871 178.171 176.300 0.001 0.000 0.969 406 D CA 0.801 54.761 54.000 -0.067 0.000 0.842 406 D CB 0.086 40.859 40.800 -0.044 0.000 0.957 406 D HN -0.005 nan 8.370 nan 0.000 0.484 407 R N 0.656 121.184 120.500 0.047 0.000 2.062 407 R HA 0.076 4.416 4.340 0.000 0.000 0.229 407 R C 1.976 178.353 176.300 0.128 0.000 1.128 407 R CA 1.362 57.527 56.100 0.108 0.000 0.960 407 R CB -0.434 29.969 30.300 0.171 0.000 0.855 407 R HN 0.144 nan 8.270 nan 0.000 0.432 408 A N -0.222 122.695 122.820 0.162 0.000 1.835 408 A HA -0.137 4.183 4.320 0.000 0.000 0.215 408 A C 2.230 179.887 177.584 0.122 0.000 1.199 408 A CA 1.651 53.808 52.037 0.200 0.000 0.615 408 A CB -1.291 17.881 19.000 0.286 0.000 0.838 408 A HN 0.229 nan 8.150 nan 0.000 0.444 409 V N 0.214 120.163 119.914 0.058 0.000 2.370 409 V HA -0.284 3.836 4.120 0.000 0.000 0.252 409 V C 2.536 178.635 176.094 0.008 0.000 1.068 409 V CA 3.090 65.405 62.300 0.024 0.000 1.061 409 V CB -0.951 30.852 31.823 -0.034 0.000 0.656 409 V HN 0.684 nan 8.190 nan 0.000 0.455 410 T N -0.424 114.137 114.554 0.012 0.000 2.821 410 T HA -0.116 4.234 4.350 0.000 0.000 0.267 410 T C 1.769 176.461 174.700 -0.014 0.000 1.046 410 T CA 1.441 63.545 62.100 0.007 0.000 1.139 410 T CB -0.242 68.642 68.868 0.027 0.000 0.871 410 T HN 0.530 nan 8.240 nan 0.000 0.454 411 E N 1.043 121.243 120.200 0.000 0.000 2.106 411 E HA 0.029 4.379 4.350 0.000 0.000 0.192 411 E C 2.220 178.753 176.600 -0.111 0.000 0.984 411 E CA 0.617 56.990 56.400 -0.044 0.000 0.806 411 E CB -0.371 29.279 29.700 -0.082 0.000 0.750 411 E HN 0.532 nan 8.360 nan 0.000 0.458 412 I N 1.502 122.068 120.570 -0.006 0.000 2.315 412 I HA -0.247 3.923 4.170 0.000 0.000 0.248 412 I C 2.090 178.183 176.117 -0.041 0.000 1.117 412 I CA 0.715 62.041 61.300 0.043 0.000 1.404 412 I CB -0.352 37.767 38.000 0.199 0.000 1.071 412 I HN 0.052 nan 8.210 nan 0.000 0.419 413 N N 0.994 119.658 118.700 -0.061 0.000 2.058 413 N HA -0.158 4.582 4.740 0.000 0.000 0.191 413 N C 2.080 177.514 175.510 -0.126 0.000 1.037 413 N CA 2.041 55.034 53.050 -0.095 0.000 0.848 413 N CB -0.469 37.970 38.487 -0.081 0.000 1.021 413 N HN 0.380 nan 8.380 nan 0.000 0.422 414 V N -0.467 119.346 119.914 -0.168 0.000 2.392 414 V HA -0.107 4.013 4.120 0.000 0.000 0.249 414 V C 2.368 178.271 176.094 -0.317 0.000 1.059 414 V CA 1.869 64.029 62.300 -0.233 0.000 1.051 414 V CB -1.206 30.427 31.823 -0.315 0.000 0.658 414 V HN 0.209 nan 8.190 nan 0.000 0.455 415 A N 0.564 123.110 122.820 -0.458 0.000 1.865 415 A HA -0.108 4.212 4.320 0.000 0.000 0.217 415 A C 2.431 179.935 177.584 -0.134 0.000 1.191 415 A CA 2.488 54.234 52.037 -0.485 0.000 0.623 415 A CB -1.084 17.375 19.000 -0.901 0.000 0.826 415 A HN 0.475 nan 8.150 nan 0.000 0.444 416 V N 0.155 120.034 119.914 -0.058 0.000 2.252 416 V HA -0.307 3.813 4.120 0.000 0.000 0.249 416 V C 2.626 178.723 176.094 0.006 0.000 1.056 416 V CA 2.199 64.512 62.300 0.022 0.000 1.022 416 V CB -0.850 30.910 31.823 -0.106 0.000 0.641 416 V HN 0.573 nan 8.190 nan 0.000 0.445 417 L N -0.767 120.414 121.223 -0.071 0.000 2.012 417 L HA -0.251 4.089 4.340 0.000 0.000 0.210 417 L C 2.626 179.516 176.870 0.034 0.000 1.073 417 L CA 2.248 57.061 54.840 -0.045 0.000 0.748 417 L CB -0.943 41.088 42.059 -0.046 0.000 0.891 417 L HN 0.501 nan 8.230 nan 0.000 0.431 418 H N -0.262 118.755 119.070 -0.090 0.000 2.319 418 H HA -0.169 4.387 4.556 0.000 0.000 0.299 418 H C 2.342 177.660 175.328 -0.018 0.000 1.092 418 H CA 1.875 57.868 56.048 -0.090 0.000 1.302 418 H CB 0.348 29.991 29.762 -0.199 0.000 1.373 418 H HN 0.284 nan 8.280 nan 0.000 0.497 419 S N 0.302 115.940 115.700 -0.103 0.000 2.353 419 S HA -0.144 4.326 4.470 0.000 0.000 0.222 419 S C 1.967 176.540 174.600 -0.046 0.000 1.035 419 S CA 1.410 59.551 58.200 -0.098 0.000 1.025 419 S CB -0.550 62.689 63.200 0.064 0.000 0.902 419 S HN 0.293 nan 8.310 nan 0.000 0.440 420 F N 1.661 121.540 119.950 -0.118 0.000 2.134 420 F HA -0.109 4.418 4.527 0.000 0.000 0.299 420 F C 2.717 178.451 175.800 -0.110 0.000 1.097 420 F CA 1.122 59.070 58.000 -0.087 0.000 1.264 420 F CB -0.818 38.147 39.000 -0.058 0.000 1.001 420 F HN 0.154 nan 8.300 nan 0.000 0.479 421 Q N 0.208 120.050 119.800 0.069 0.000 2.030 421 Q HA -0.247 4.093 4.340 0.000 0.000 0.204 421 Q C 2.339 178.285 176.000 -0.091 0.000 0.986 421 Q CA 2.107 57.899 55.803 -0.019 0.000 0.843 421 Q CB -0.199 28.525 28.738 -0.023 0.000 0.904 421 Q HN 0.281 nan 8.270 nan 0.000 0.420 422 K N -0.093 120.185 120.400 -0.203 0.000 2.057 422 K HA -0.136 4.184 4.320 0.000 0.000 0.206 422 K C 1.271 177.785 176.600 -0.144 0.000 1.050 422 K CA 1.301 57.460 56.287 -0.213 0.000 0.935 422 K CB 0.137 32.404 32.500 -0.389 0.000 0.715 422 K HN 0.236 nan 8.250 nan 0.000 0.439 423 Q N 0.947 120.656 119.800 -0.152 0.000 2.282 423 Q HA 0.080 4.420 4.340 0.000 0.000 0.205 423 Q C -0.747 175.181 176.000 -0.120 0.000 0.915 423 Q CA -0.227 55.494 55.803 -0.136 0.000 0.949 423 Q CB 0.170 28.805 28.738 -0.171 0.000 1.035 423 Q HN 0.276 nan 8.270 nan 0.000 0.484 424 N N 0.374 119.018 118.700 -0.093 0.000 2.688 424 N HA -0.155 4.585 4.740 0.000 0.000 0.258 424 N C -1.412 174.056 175.510 -0.070 0.000 1.016 424 N CA 0.606 53.613 53.050 -0.071 0.000 0.747 424 N CB -0.991 37.457 38.487 -0.065 0.000 0.895 424 N HN 0.038 nan 8.380 nan 0.000 0.543 425 V N 0.833 120.716 119.914 -0.052 0.000 2.483 425 V HA 0.236 4.356 4.120 0.000 0.000 0.297 425 V C 0.659 176.844 176.094 0.152 0.000 1.027 425 V CA -0.765 61.527 62.300 -0.013 0.000 0.855 425 V CB 2.142 33.843 31.823 -0.204 0.000 0.995 425 V HN 0.241 nan 8.190 nan 0.000 0.424 426 T N 6.299 120.897 114.554 0.074 0.000 2.933 426 T HA 0.408 4.758 4.350 0.000 0.000 0.306 426 T C -0.223 174.547 174.700 0.117 0.000 1.045 426 T CA 0.884 62.969 62.100 -0.026 0.000 1.143 426 T CB 0.147 68.867 68.868 -0.247 0.000 1.003 426 T HN 0.575 nan 8.240 nan 0.000 0.540 427 I N 2.191 122.747 120.570 -0.023 0.000 2.842 427 I HA 0.480 4.651 4.170 0.000 0.000 0.296 427 I C -1.592 174.509 176.117 -0.027 0.000 1.538 427 I CA -0.946 60.349 61.300 -0.009 0.000 0.994 427 I CB 2.053 39.928 38.000 -0.209 0.000 1.372 427 I HN 0.640 nan 8.210 nan 0.000 0.478 428 M N 6.078 125.721 119.600 0.072 0.000 2.464 428 M HA 0.403 4.883 4.480 0.000 0.000 0.308 428 M C -1.489 174.854 176.300 0.071 0.000 1.127 428 M CA -0.612 54.744 55.300 0.093 0.000 0.913 428 M CB 1.816 34.554 32.600 0.230 0.000 1.689 428 M HN 0.563 nan 8.290 nan 0.000 0.445 429 D N 2.798 123.240 120.400 0.069 0.000 2.329 429 D HA 0.064 4.704 4.640 0.000 0.000 0.246 429 D C 0.704 177.070 176.300 0.109 0.000 1.111 429 D CA -0.217 53.848 54.000 0.109 0.000 0.941 429 D CB 0.562 41.429 40.800 0.113 0.000 1.169 429 D HN 0.848 nan 8.370 nan 0.000 0.441 430 H N 0.786 119.785 119.070 -0.118 0.000 2.422 430 H HA -0.185 4.371 4.556 0.000 0.000 0.298 430 H C 1.372 176.581 175.328 -0.197 0.000 1.098 430 H CA 1.449 57.379 56.048 -0.197 0.000 1.315 430 H CB -0.901 28.680 29.762 -0.301 0.000 1.382 430 H HN 0.542 nan 8.280 nan 0.000 0.523 431 H N 0.798 119.666 119.070 -0.337 0.000 2.299 431 H HA -0.044 4.512 4.556 0.000 0.000 0.302 431 H C 2.021 177.306 175.328 -0.071 0.000 1.078 431 H CA 2.066 57.976 56.048 -0.230 0.000 1.323 431 H CB -0.369 29.229 29.762 -0.273 0.000 1.381 431 H HN 0.424 nan 8.280 nan 0.000 0.498 432 T N 1.124 115.729 114.554 0.085 0.000 2.867 432 T HA -0.027 4.323 4.350 0.000 0.000 0.268 432 T C 2.325 177.083 174.700 0.098 0.000 1.057 432 T CA 0.938 63.087 62.100 0.082 0.000 1.136 432 T CB -0.330 68.582 68.868 0.073 0.000 0.874 432 T HN 0.417 nan 8.240 nan 0.000 0.466 433 A N 1.501 124.377 122.820 0.094 0.000 1.933 433 A HA -0.081 4.239 4.320 0.000 0.000 0.218 433 A C 2.604 180.260 177.584 0.120 0.000 1.175 433 A CA 1.827 53.933 52.037 0.115 0.000 0.628 433 A CB -0.780 18.275 19.000 0.091 0.000 0.814 433 A HN 0.440 nan 8.150 nan 0.000 0.444 434 S N -0.270 115.478 115.700 0.079 0.000 2.355 434 S HA -0.132 4.338 4.470 0.000 0.000 0.222 434 S C 1.810 176.503 174.600 0.155 0.000 1.031 434 S CA 1.331 59.591 58.200 0.099 0.000 0.993 434 S CB -0.326 62.896 63.200 0.036 0.000 0.859 434 S HN 0.695 nan 8.310 nan 0.000 0.453 435 E N 1.135 121.406 120.200 0.119 0.000 2.153 435 E HA -0.129 4.222 4.350 0.000 0.000 0.194 435 E C 2.258 178.931 176.600 0.122 0.000 0.988 435 E CA 1.211 57.678 56.400 0.111 0.000 0.811 435 E CB -0.183 29.567 29.700 0.083 0.000 0.746 435 E HN 0.513 nan 8.360 nan 0.000 0.466 436 S N 0.451 116.236 115.700 0.142 0.000 2.371 436 S HA -0.152 4.318 4.470 0.000 0.000 0.224 436 S C 1.842 176.549 174.600 0.179 0.000 1.029 436 S CA 0.545 58.833 58.200 0.147 0.000 0.978 436 S CB -0.282 63.013 63.200 0.158 0.000 0.833 436 S HN 0.317 nan 8.310 nan 0.000 0.466 437 F N 1.792 121.786 119.950 0.073 0.000 2.186 437 F HA 0.111 4.638 4.527 0.000 0.000 0.299 437 F C 2.256 178.130 175.800 0.123 0.000 1.090 437 F CA 1.335 59.390 58.000 0.092 0.000 1.307 437 F CB -0.249 38.779 39.000 0.048 0.000 1.019 437 F HN 0.163 nan 8.300 nan 0.000 0.489 438 M N 0.148 119.855 119.600 0.177 0.000 2.086 438 M HA -0.199 4.281 4.480 0.000 0.000 0.261 438 M C 2.236 178.530 176.300 -0.009 0.000 1.067 438 M CA 1.598 56.947 55.300 0.082 0.000 1.116 438 M CB -1.123 31.547 32.600 0.117 0.000 1.348 438 M HN 0.060 nan 8.290 nan 0.000 0.407 439 K N -0.430 119.984 120.400 0.024 0.000 2.147 439 K HA -0.196 4.124 4.320 0.000 0.000 0.205 439 K C 1.872 178.458 176.600 -0.023 0.000 1.049 439 K CA 1.619 57.912 56.287 0.010 0.000 0.936 439 K CB -0.532 31.993 32.500 0.042 0.000 0.722 439 K HN 0.388 nan 8.250 nan 0.000 0.446 440 H N -0.302 118.676 119.070 -0.153 0.000 2.326 440 H HA 0.018 4.574 4.556 0.000 0.000 0.301 440 H C 1.941 177.108 175.328 -0.268 0.000 1.081 440 H CA 2.391 58.306 56.048 -0.222 0.000 1.334 440 H CB -0.149 29.403 29.762 -0.351 0.000 1.385 440 H HN 0.175 nan 8.280 nan 0.000 0.504 441 M N 0.035 119.346 119.600 -0.482 0.000 2.106 441 M HA -0.266 4.214 4.480 0.000 0.000 0.259 441 M C 2.217 178.438 176.300 -0.132 0.000 1.068 441 M CA 2.075 57.166 55.300 -0.349 0.000 1.100 441 M CB -0.041 32.424 32.600 -0.225 0.000 1.351 441 M HN 0.497 nan 8.290 nan 0.000 0.404 442 Q N -0.319 119.405 119.800 -0.127 0.000 2.050 442 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 442 Q C 1.726 177.690 176.000 -0.061 0.000 0.980 442 Q CA 1.516 57.281 55.803 -0.064 0.000 0.840 442 Q CB -0.251 28.456 28.738 -0.053 0.000 0.898 442 Q HN 0.545 nan 8.270 nan 0.000 0.424 443 N N 0.780 119.410 118.700 -0.118 0.000 2.084 443 N HA -0.191 4.549 4.740 0.000 0.000 0.190 443 N C 1.672 177.081 175.510 -0.169 0.000 1.030 443 N CA 1.262 54.248 53.050 -0.107 0.000 0.849 443 N CB -0.277 38.160 38.487 -0.084 0.000 1.012 443 N HN 0.191 nan 8.380 nan 0.000 0.423 444 E N 0.019 120.014 120.200 -0.342 0.000 2.110 444 E HA -0.119 4.231 4.350 0.000 0.000 0.193 444 E C 1.635 178.080 176.600 -0.259 0.000 0.988 444 E CA 1.098 57.252 56.400 -0.410 0.000 0.804 444 E CB -0.211 29.080 29.700 -0.681 0.000 0.745 444 E HN 0.421 nan 8.360 nan 0.000 0.458 445 Y N -0.062 120.112 120.300 -0.210 0.000 2.184 445 Y HA 0.020 4.570 4.550 0.000 0.000 0.290 445 Y C 2.461 178.304 175.900 -0.096 0.000 1.129 445 Y CA 1.512 59.537 58.100 -0.125 0.000 1.144 445 Y CB -0.148 38.256 38.460 -0.094 0.000 0.995 445 Y HN -0.040 nan 8.280 nan 0.000 0.513 446 R N 0.189 120.724 120.500 0.059 0.000 2.152 446 R HA -0.163 4.177 4.340 0.000 0.000 0.232 446 R C 1.971 178.259 176.300 -0.021 0.000 1.117 446 R CA 1.059 57.169 56.100 0.017 0.000 0.981 446 R CB -0.223 30.081 30.300 0.006 0.000 0.870 446 R HN 0.362 nan 8.270 nan 0.000 0.451 447 A N 1.538 124.322 122.820 -0.061 0.000 1.843 447 A HA -0.094 4.226 4.320 0.000 0.000 0.213 447 A C 1.650 179.176 177.584 -0.096 0.000 1.239 447 A CA 1.101 53.092 52.037 -0.076 0.000 0.606 447 A CB -0.134 18.805 19.000 -0.101 0.000 0.903 447 A HN 0.461 nan 8.150 nan 0.000 0.455 448 R N -1.008 119.398 120.500 -0.157 0.000 2.652 448 R HA 0.416 4.756 4.340 0.000 0.000 0.372 448 R C 0.654 176.841 176.300 -0.187 0.000 1.104 448 R CA 0.348 56.354 56.100 -0.156 0.000 1.072 448 R CB -0.579 29.619 30.300 -0.171 0.000 1.367 448 R HN 0.831 nan 8.270 nan 0.000 0.577 449 G N 0.039 108.728 108.800 -0.186 0.000 2.356 449 G HA2 -0.107 3.853 3.960 0.000 0.000 0.296 449 G HA3 -0.107 3.853 3.960 0.000 0.000 0.296 449 G C 0.246 174.881 174.900 -0.442 0.000 1.022 449 G CA 0.337 45.317 45.100 -0.200 0.000 0.961 449 G HN 0.965 nan 8.290 nan 0.000 0.510 450 G N -2.570 105.688 108.800 -0.904 0.000 2.328 450 G HA2 0.563 4.523 3.960 0.000 0.000 0.299 450 G HA3 0.563 4.523 3.960 0.000 0.000 0.299 450 G C -0.863 173.546 174.900 -0.818 0.000 1.435 450 G CA 0.229 44.669 45.100 -1.099 0.000 0.865 450 G HN 1.960 nan 8.290 nan 0.000 0.601 451 C N 2.192 121.227 119.300 -0.442 0.000 3.029 451 C HA 0.612 5.072 4.460 0.000 0.000 0.396 451 C C -2.617 172.296 174.990 -0.127 0.000 1.072 451 C CA -1.027 57.867 59.018 -0.205 0.000 1.269 451 C CB 1.059 28.732 27.740 -0.112 0.000 1.684 451 C HN 0.722 nan 8.230 nan 0.000 0.510 452 P HA 0.385 nan 4.420 nan 0.000 0.266 452 P C -0.580 176.626 177.300 -0.157 0.000 1.215 452 P CA 0.614 63.329 63.100 -0.641 0.000 0.763 452 P CB 1.008 32.250 31.700 -0.763 0.000 0.806 453 A N 2.874 125.671 122.820 -0.038 0.000 2.398 453 A HA 0.382 4.702 4.320 0.000 0.000 0.301 453 A C -0.736 176.910 177.584 0.103 0.000 1.041 453 A CA -0.551 51.553 52.037 0.112 0.000 0.711 453 A CB 1.133 20.296 19.000 0.270 0.000 1.240 453 A HN 0.440 nan 8.150 nan 0.000 0.420 454 D N 2.417 122.866 120.400 0.083 0.000 2.485 454 D HA 0.096 4.736 4.640 0.000 0.000 0.221 454 D C 0.866 177.293 176.300 0.211 0.000 1.112 454 D CA -0.526 53.555 54.000 0.134 0.000 0.911 454 D CB 0.177 41.016 40.800 0.064 0.000 1.019 454 D HN 0.642 nan 8.370 nan 0.000 0.516 455 W N 4.290 125.615 121.300 0.042 0.000 2.304 455 W HA -0.272 4.388 4.660 0.000 0.000 0.315 455 W C 1.795 178.334 176.519 0.033 0.000 1.233 455 W CA 1.340 58.692 57.345 0.011 0.000 1.261 455 W CB -0.090 29.355 29.460 -0.024 0.000 1.150 455 W HN 0.436 nan 8.180 nan 0.000 0.494 456 I N -1.037 119.853 120.570 0.533 0.000 2.248 456 I HA -0.336 3.834 4.170 0.000 0.000 0.248 456 I C 1.877 178.107 176.117 0.189 0.000 1.107 456 I CA 1.687 63.237 61.300 0.416 0.000 1.373 456 I CB -0.676 37.570 38.000 0.411 0.000 1.055 456 I HN 0.138 nan 8.210 nan 0.000 0.418 457 W N 0.201 121.485 121.300 -0.028 0.000 2.539 457 W HA 0.091 4.751 4.660 0.000 0.000 0.281 457 W C 2.273 178.673 176.519 -0.199 0.000 1.220 457 W CA 0.346 57.634 57.345 -0.095 0.000 1.332 457 W CB -0.425 28.998 29.460 -0.062 0.000 1.095 457 W HN -0.045 nan 8.180 nan 0.000 0.571 458 L N -0.221 120.958 121.223 -0.073 0.000 2.291 458 L HA -0.009 4.331 4.340 0.000 0.000 0.214 458 L C 0.578 177.212 176.870 -0.394 0.000 1.120 458 L CA 0.300 54.959 54.840 -0.302 0.000 0.799 458 L CB -0.812 40.981 42.059 -0.443 0.000 0.925 458 L HN -0.381 nan 8.230 nan 0.000 0.446 459 V N 1.443 121.053 119.914 -0.507 0.000 2.455 459 V HA 0.152 4.272 4.120 0.000 0.000 0.273 459 V C -1.832 174.062 176.094 -0.334 0.000 1.045 459 V CA -1.418 60.553 62.300 -0.548 0.000 0.976 459 V CB 0.743 31.974 31.823 -0.986 0.000 0.993 459 V HN 0.024 nan 8.190 nan 0.000 0.475 460 P HA 0.044 nan 4.420 nan 0.000 0.266 460 P C -1.790 175.389 177.300 -0.201 0.000 1.193 460 P CA -0.800 62.178 63.100 -0.202 0.000 0.770 460 P CB 0.075 31.705 31.700 -0.117 0.000 0.836 461 P HA -0.036 nan 4.420 nan 0.000 0.239 461 P C -0.012 177.189 177.300 -0.165 0.000 1.184 461 P CA 1.079 64.060 63.100 -0.198 0.000 0.760 461 P CB 0.447 32.012 31.700 -0.226 0.000 0.884 462 V N -1.403 118.404 119.914 -0.178 0.000 3.048 462 V HA 0.288 4.408 4.120 0.000 0.000 0.303 462 V C -0.317 175.740 176.094 -0.062 0.000 1.214 462 V CA -0.427 61.794 62.300 -0.133 0.000 0.984 462 V CB 1.822 33.536 31.823 -0.183 0.000 1.054 462 V HN -0.001 nan 8.190 nan 0.000 0.430 463 S N 3.177 118.866 115.700 -0.019 0.000 3.614 463 S HA -0.180 4.290 4.470 0.000 0.000 0.360 463 S C 1.375 175.954 174.600 -0.035 0.000 1.023 463 S CA 1.099 59.307 58.200 0.014 0.000 1.114 463 S CB -1.420 61.858 63.200 0.131 0.000 0.907 463 S HN 1.756 nan 8.310 nan 0.000 0.470 464 G N 2.400 111.157 108.800 -0.073 0.000 2.545 464 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 464 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 464 G C 1.508 176.253 174.900 -0.257 0.000 1.218 464 G CA 1.425 46.476 45.100 -0.081 0.000 0.787 464 G HN 1.208 nan 8.290 nan 0.000 0.571 465 S N 0.449 115.721 115.700 -0.714 0.000 2.469 465 S HA 0.001 4.471 4.470 0.000 0.000 0.238 465 S C 2.078 176.549 174.600 -0.216 0.000 0.998 465 S CA 0.829 58.414 58.200 -1.025 0.000 0.957 465 S CB -0.140 62.344 63.200 -1.193 0.000 0.764 465 S HN 0.196 nan 8.310 nan 0.000 0.514 466 I N 1.799 122.311 120.570 -0.097 0.000 3.001 466 I HA 0.073 4.243 4.170 0.000 0.000 0.268 466 I C 0.835 177.015 176.117 0.105 0.000 1.267 466 I CA 0.578 61.907 61.300 0.047 0.000 1.472 466 I CB -1.899 36.149 38.000 0.080 0.000 1.089 466 I HN 0.256 nan 8.210 nan 0.000 0.468 467 T N 2.361 116.942 114.554 0.045 0.000 2.875 467 T HA 0.224 4.574 4.350 0.000 0.000 0.284 467 T C -1.462 173.322 174.700 0.139 0.000 0.995 467 T CA -1.078 61.059 62.100 0.062 0.000 1.060 467 T CB 2.397 71.246 68.868 -0.032 0.000 0.967 467 T HN -0.090 nan 8.240 nan 0.000 0.476 468 P HA -0.121 nan 4.420 nan 0.000 0.215 468 P C 1.764 179.197 177.300 0.222 0.000 1.157 468 P CA 0.771 64.019 63.100 0.246 0.000 0.868 468 P CB -0.134 31.669 31.700 0.171 0.000 0.788 469 V N -3.127 116.858 119.914 0.118 0.000 2.568 469 V HA -0.248 3.873 4.120 0.000 0.000 0.253 469 V C 2.061 178.152 176.094 -0.004 0.000 1.072 469 V CA 1.538 63.869 62.300 0.052 0.000 1.084 469 V CB -2.005 29.770 31.823 -0.080 0.000 0.676 469 V HN -0.038 nan 8.190 nan 0.000 0.469 470 F N 1.995 121.819 119.950 -0.209 0.000 2.171 470 F HA -0.116 4.411 4.527 0.000 0.000 0.300 470 F C 2.374 178.269 175.800 0.159 0.000 1.090 470 F CA 2.157 60.077 58.000 -0.133 0.000 1.293 470 F CB -0.341 38.456 39.000 -0.339 0.000 1.013 470 F HN 0.319 nan 8.300 nan 0.000 0.486 471 H N -0.699 118.693 119.070 0.537 0.000 2.533 471 H HA 0.132 4.688 4.556 0.000 0.000 0.271 471 H C 0.176 175.649 175.328 0.240 0.000 1.000 471 H CA 0.226 56.498 56.048 0.374 0.000 1.149 471 H CB -0.301 29.638 29.762 0.295 0.000 1.375 471 H HN 0.274 nan 8.280 nan 0.000 0.582 472 Q N 1.832 121.833 119.800 0.336 0.000 2.325 472 Q HA 0.186 4.526 4.340 0.000 0.000 0.262 472 Q C -0.626 175.529 176.000 0.257 0.000 0.968 472 Q CA -0.497 55.455 55.803 0.248 0.000 0.877 472 Q CB 1.031 29.902 28.738 0.222 0.000 1.253 472 Q HN 0.231 nan 8.270 nan 0.000 0.448 473 E N 4.065 124.346 120.200 0.134 0.000 2.366 473 E HA 0.454 4.804 4.350 0.000 0.000 0.266 473 E C -0.333 176.344 176.600 0.128 0.000 1.051 473 E CA -0.051 56.395 56.400 0.075 0.000 0.884 473 E CB 0.819 30.525 29.700 0.010 0.000 1.006 473 E HN 0.695 nan 8.360 nan 0.000 0.417 474 M N 0.206 119.892 119.600 0.143 0.000 2.534 474 M HA 0.412 4.892 4.480 0.000 0.000 0.280 474 M C -1.883 174.522 176.300 0.174 0.000 1.217 474 M CA -1.182 54.234 55.300 0.194 0.000 0.893 474 M CB 1.098 33.858 32.600 0.267 0.000 1.730 474 M HN 0.125 nan 8.290 nan 0.000 0.483 475 L N 2.471 123.829 121.223 0.226 0.000 2.317 475 L HA 0.599 4.939 4.340 0.000 0.000 0.281 475 L C -0.509 176.498 176.870 0.228 0.000 1.024 475 L CA -0.099 54.894 54.840 0.254 0.000 0.810 475 L CB 1.353 43.626 42.059 0.356 0.000 1.240 475 L HN 0.782 nan 8.230 nan 0.000 0.427 476 N N 2.683 121.497 118.700 0.191 0.000 2.392 476 N HA 0.578 5.318 4.740 0.000 0.000 0.283 476 N C -1.656 173.947 175.510 0.155 0.000 1.003 476 N CA -0.252 52.832 53.050 0.056 0.000 0.892 476 N CB 0.942 39.469 38.487 0.067 0.000 1.193 476 N HN 0.417 nan 8.380 nan 0.000 0.487 477 Y N -0.120 120.190 120.300 0.017 0.000 2.480 477 Y HA 0.428 4.978 4.550 0.000 0.000 0.329 477 Y C -1.132 174.712 175.900 -0.094 0.000 1.127 477 Y CA -1.335 56.743 58.100 -0.036 0.000 1.037 477 Y CB 0.207 38.646 38.460 -0.035 0.000 1.320 477 Y HN 0.021 nan 8.280 nan 0.000 0.446 478 V N 5.311 125.166 119.914 -0.098 0.000 2.415 478 V HA 0.177 4.297 4.120 0.000 0.000 0.267 478 V C 0.449 176.364 176.094 -0.297 0.000 1.042 478 V CA 0.059 62.050 62.300 -0.515 0.000 1.000 478 V CB -0.239 31.179 31.823 -0.676 0.000 1.015 478 V HN 0.787 nan 8.190 nan 0.000 0.478 479 L N 3.328 124.423 121.223 -0.213 0.000 2.902 479 L HA 0.726 5.066 4.340 0.000 0.000 0.229 479 L C 0.384 177.240 176.870 -0.023 0.000 1.324 479 L CA -0.436 54.393 54.840 -0.018 0.000 1.230 479 L CB 1.349 43.458 42.059 0.084 0.000 2.134 479 L HN 0.608 nan 8.230 nan 0.000 0.567 480 S N -0.485 115.250 115.700 0.059 0.000 2.535 480 S HA 0.463 4.933 4.470 0.000 0.000 0.272 480 S C -2.760 171.901 174.600 0.103 0.000 1.149 480 S CA -1.004 57.246 58.200 0.083 0.000 0.888 480 S CB 1.895 65.117 63.200 0.038 0.000 1.110 480 S HN 0.244 nan 8.310 nan 0.000 0.463 481 P HA 0.366 nan 4.420 nan 0.000 0.271 481 P C -1.061 176.259 177.300 0.033 0.000 1.233 481 P CA -0.126 62.982 63.100 0.013 0.000 0.789 481 P CB 0.250 31.897 31.700 -0.089 0.000 0.951 482 F N -0.189 119.628 119.950 -0.223 0.000 2.641 482 F HA 0.363 4.890 4.527 0.000 0.000 0.308 482 F C -1.322 174.265 175.800 -0.355 0.000 1.105 482 F CA -0.855 56.944 58.000 -0.335 0.000 0.964 482 F CB 1.348 40.162 39.000 -0.311 0.000 1.294 482 F HN 0.105 nan 8.300 nan 0.000 0.442 483 Y N 4.792 124.664 120.300 -0.712 0.000 2.594 483 Y HA 0.371 4.921 4.550 0.000 0.000 0.342 483 Y C -0.776 174.870 175.900 -0.423 0.000 1.010 483 Y CA -0.702 57.141 58.100 -0.429 0.000 1.270 483 Y CB -0.204 37.956 38.460 -0.500 0.000 1.125 483 Y HN 0.348 nan 8.280 nan 0.000 0.513 484 Y N 0.972 121.355 120.300 0.138 0.000 2.374 484 Y HA 0.325 4.875 4.550 0.000 0.000 0.322 484 Y C 0.135 176.083 175.900 0.081 0.000 1.275 484 Y CA -0.898 57.317 58.100 0.192 0.000 1.307 484 Y CB 0.682 39.285 38.460 0.238 0.000 1.282 484 Y HN 0.432 nan 8.280 nan 0.000 0.509 485 Y N 0.336 120.788 120.300 0.253 0.000 2.453 485 Y HA 0.411 4.961 4.550 0.000 0.000 0.344 485 Y C -0.201 175.771 175.900 0.120 0.000 1.323 485 Y CA -0.554 57.622 58.100 0.126 0.000 1.526 485 Y CB 0.849 39.351 38.460 0.069 0.000 1.603 485 Y HN 0.445 nan 8.280 nan 0.000 0.563 486 Q N -0.594 119.348 119.800 0.237 0.000 2.594 486 Q HA 0.409 4.749 4.340 0.000 0.000 0.278 486 Q C -1.734 174.251 176.000 -0.024 0.000 0.961 486 Q CA -0.853 55.003 55.803 0.087 0.000 0.844 486 Q CB 1.324 30.097 28.738 0.059 0.000 1.475 486 Q HN 0.584 nan 8.270 nan 0.000 0.389 487 I N 1.628 122.145 120.570 -0.088 0.000 2.845 487 I HA -0.082 4.088 4.170 0.000 0.000 0.296 487 I C 0.309 176.214 176.117 -0.354 0.000 1.216 487 I CA 0.426 61.611 61.300 -0.192 0.000 1.438 487 I CB 0.195 38.085 38.000 -0.183 0.000 1.342 487 I HN 0.603 nan 8.210 nan 0.000 0.577 488 E N 8.770 128.649 120.200 -0.534 0.000 2.498 488 E HA -0.042 4.308 4.350 0.000 0.000 0.252 488 E C -1.292 174.616 176.600 -1.153 0.000 1.025 488 E CA -1.008 54.764 56.400 -1.046 0.000 0.938 488 E CB 0.284 29.078 29.700 -1.510 0.000 0.947 488 E HN 0.433 nan 8.360 nan 0.000 0.478 489 P HA -0.221 nan 4.420 nan 0.000 0.216 489 P C 0.855 177.471 177.300 -1.140 0.000 1.154 489 P CA 1.583 64.049 63.100 -1.057 0.000 0.865 489 P CB -0.188 30.644 31.700 -1.446 0.000 0.789 490 W N 0.743 121.375 121.300 -1.114 0.000 2.848 490 W HA 0.129 4.789 4.660 0.000 0.000 0.241 490 W C 1.508 177.807 176.519 -0.366 0.000 1.289 490 W CA 0.338 57.226 57.345 -0.762 0.000 1.396 490 W CB -1.206 28.018 29.460 -0.392 0.000 1.138 490 W HN -0.060 nan 8.180 nan 0.000 0.677 491 K N -0.178 119.902 120.400 -0.534 0.000 2.335 491 K HA 0.046 4.366 4.320 0.000 0.000 0.195 491 K C 0.658 177.121 176.600 -0.227 0.000 1.058 491 K CA 0.929 57.041 56.287 -0.292 0.000 0.988 491 K CB 0.380 32.674 32.500 -0.342 0.000 0.880 491 K HN -0.013 nan 8.250 nan 0.000 0.513 492 T N 0.776 115.161 114.554 -0.283 0.000 3.327 492 T HA 0.189 4.539 4.350 0.000 0.000 0.373 492 T C -1.900 172.729 174.700 -0.117 0.000 1.589 492 T CA -0.547 61.443 62.100 -0.183 0.000 1.497 492 T CB -0.152 68.612 68.868 -0.174 0.000 1.032 492 T HN 0.166 nan 8.240 nan 0.000 0.640 493 H N 2.557 121.466 119.070 -0.268 0.000 3.042 493 H HA 0.440 4.996 4.556 0.000 0.000 0.345 493 H C -0.845 174.327 175.328 -0.260 0.000 1.052 493 H CA -0.699 55.188 56.048 -0.269 0.000 1.311 493 H CB 1.001 30.563 29.762 -0.332 0.000 1.810 493 H HN 0.482 nan 8.280 nan 0.000 0.505 494 I N 5.011 125.177 120.570 -0.674 0.000 2.347 494 I HA 0.014 4.184 4.170 0.000 0.000 0.294 494 I C 0.063 175.933 176.117 -0.413 0.000 1.090 494 I CA -0.162 60.892 61.300 -0.410 0.000 1.314 494 I CB 0.083 37.923 38.000 -0.266 0.000 1.423 494 I HN 0.302 nan 8.210 nan 0.000 0.503 495 W N 5.360 126.586 121.300 -0.123 0.000 2.116 495 W HA 0.182 4.842 4.660 0.000 0.000 0.374 495 W C 0.780 177.288 176.519 -0.018 0.000 1.445 495 W CA -0.367 56.973 57.345 -0.009 0.000 1.582 495 W CB 0.517 30.028 29.460 0.085 0.000 1.263 495 W HN 0.444 nan 8.180 nan 0.000 0.683 496 Q N 0.000 119.971 119.800 0.286 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.881 55.803 0.131 0.000 1.022 496 Q CB 0.000 28.784 28.738 0.076 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481