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 1qw5_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 IEPWKTHIW 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 0.000 176.178 176.000 0.296 0.000 1.003 77 Q CA 0.000 55.823 55.803 0.033 0.000 1.022 77 Q CB 0.000 28.622 28.738 -0.194 0.000 1.108 78 Y N -1.757 118.678 120.300 0.225 0.000 2.717 78 Y HA 0.651 5.201 4.550 -0.000 0.000 0.345 78 Y C -1.576 174.368 175.900 0.073 0.000 1.187 78 Y CA -1.389 56.830 58.100 0.197 0.000 1.128 78 Y CB 0.329 38.873 38.460 0.141 0.000 1.360 78 Y HN 0.092 nan 8.280 nan 0.000 0.467 79 V N 3.174 123.285 119.914 0.329 0.000 2.539 79 V HA 0.552 4.672 4.120 -0.000 0.000 0.292 79 V C 0.122 176.356 176.094 0.234 0.000 1.045 79 V CA -0.789 61.581 62.300 0.117 0.000 0.945 79 V CB 1.427 33.152 31.823 -0.164 0.000 0.993 79 V HN 0.792 nan 8.190 nan 0.000 0.464 80 R N 3.585 124.166 120.500 0.136 0.000 2.297 80 R HA 0.536 4.876 4.340 -0.000 0.000 0.308 80 R C -1.197 175.133 176.300 0.050 0.000 1.029 80 R CA -0.501 55.653 56.100 0.091 0.000 0.929 80 R CB 0.732 31.058 30.300 0.044 0.000 1.046 80 R HN 0.492 nan 8.270 nan 0.000 0.461 81 I N 4.012 124.602 120.570 0.034 0.000 2.466 81 I HA 0.318 4.488 4.170 -0.000 0.000 0.289 81 I C -0.402 175.676 176.117 -0.065 0.000 1.026 81 I CA -0.574 60.724 61.300 -0.004 0.000 1.078 81 I CB 1.704 39.688 38.000 -0.026 0.000 1.249 81 I HN 0.597 nan 8.210 nan 0.000 0.429 82 K N 5.168 125.523 120.400 -0.076 0.000 2.259 82 K HA 0.407 4.727 4.320 -0.000 0.000 0.249 82 K C -0.629 175.855 176.600 -0.193 0.000 0.942 82 K CA -0.615 55.539 56.287 -0.221 0.000 0.816 82 K CB 1.937 34.162 32.500 -0.457 0.000 1.155 82 K HN 0.658 nan 8.250 nan 0.000 0.428 83 N N 3.495 122.070 118.700 -0.208 0.000 2.546 83 N HA 0.140 4.880 4.740 -0.000 0.000 0.238 83 N C -0.203 175.255 175.510 -0.087 0.000 0.984 83 N CA -0.677 52.356 53.050 -0.028 0.000 0.935 83 N CB 0.496 38.983 38.487 -0.000 0.000 1.122 83 N HN 0.579 nan 8.380 nan 0.000 0.510 84 W N 2.512 123.888 121.300 0.128 0.000 2.632 84 W HA 0.130 4.790 4.660 -0.000 0.000 0.248 84 W C 2.013 178.588 176.519 0.092 0.000 1.259 84 W CA 0.204 57.624 57.345 0.125 0.000 1.288 84 W CB 0.122 29.689 29.460 0.178 0.000 1.136 84 W HN 0.645 nan 8.180 nan 0.000 0.640 85 G N -0.531 108.404 108.800 0.225 0.000 2.441 85 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.212 85 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.212 85 G C 1.467 176.380 174.900 0.021 0.000 1.164 85 G CA 1.074 46.202 45.100 0.046 0.000 0.811 85 G HN 0.262 nan 8.290 nan 0.000 0.535 86 S N -0.682 115.026 115.700 0.014 0.000 2.540 86 S HA 0.381 4.851 4.470 -0.000 0.000 0.218 86 S C 1.714 176.284 174.600 -0.050 0.000 0.977 86 S CA 0.957 59.147 58.200 -0.017 0.000 0.918 86 S CB 0.212 63.401 63.200 -0.019 0.000 0.806 86 S HN 1.423 nan 8.310 nan 0.000 0.496 87 G N 1.335 110.086 108.800 -0.083 0.000 2.258 87 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.274 87 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.274 87 G C -0.204 174.598 174.900 -0.163 0.000 1.021 87 G CA 0.691 45.694 45.100 -0.161 0.000 0.798 87 G HN 0.749 nan 8.290 nan 0.000 0.507 88 E N -0.925 119.188 120.200 -0.145 0.000 2.248 88 E HA 0.641 4.991 4.350 -0.000 0.000 0.272 88 E C -0.205 176.303 176.600 -0.154 0.000 1.008 88 E CA -1.006 55.317 56.400 -0.128 0.000 0.856 88 E CB 0.594 30.232 29.700 -0.103 0.000 1.120 88 E HN 0.126 nan 8.360 nan 0.000 0.397 89 I N 3.057 123.555 120.570 -0.119 0.000 2.740 89 I HA 0.404 4.574 4.170 -0.000 0.000 0.303 89 I C -0.675 175.398 176.117 -0.073 0.000 1.044 89 I CA -0.491 60.757 61.300 -0.086 0.000 1.064 89 I CB 1.659 39.649 38.000 -0.017 0.000 1.249 89 I HN 0.467 nan 8.210 nan 0.000 0.433 90 L N 4.016 125.214 121.223 -0.043 0.000 2.393 90 L HA 0.520 4.860 4.340 -0.000 0.000 0.260 90 L C -1.078 175.908 176.870 0.194 0.000 1.002 90 L CA -0.806 53.991 54.840 -0.071 0.000 0.818 90 L CB 2.296 44.081 42.059 -0.457 0.000 1.369 90 L HN 0.549 nan 8.230 nan 0.000 0.412 91 H N 0.805 119.819 119.070 -0.095 0.000 2.595 91 H HA 0.180 4.736 4.556 -0.000 0.000 0.313 91 H C -1.189 174.167 175.328 0.047 0.000 1.023 91 H CA -0.797 55.111 56.048 -0.233 0.000 1.218 91 H CB 2.126 31.319 29.762 -0.948 0.000 1.403 91 H HN 0.443 nan 8.280 nan 0.000 0.477 92 D N 2.976 123.551 120.400 0.292 0.000 2.316 92 D HA 0.000 4.640 4.640 -0.000 0.000 0.245 92 D C 1.006 177.399 176.300 0.155 0.000 1.171 92 D CA -0.007 54.125 54.000 0.220 0.000 0.856 92 D CB 1.455 42.395 40.800 0.234 0.000 1.090 92 D HN 0.710 nan 8.370 nan 0.000 0.476 93 T N 1.313 115.855 114.554 -0.019 0.000 3.038 93 T HA -0.078 4.272 4.350 -0.000 0.000 0.244 93 T C 2.031 176.436 174.700 -0.491 0.000 1.016 93 T CA -0.153 61.785 62.100 -0.270 0.000 1.098 93 T CB -0.205 68.631 68.868 -0.054 0.000 0.954 93 T HN 0.252 nan 8.240 nan 0.000 0.469 94 L N 3.333 124.408 121.223 -0.246 0.000 2.151 94 L HA -0.219 4.120 4.340 -0.000 0.000 0.215 94 L C 2.616 179.230 176.870 -0.427 0.000 1.084 94 L CA 2.342 57.051 54.840 -0.218 0.000 0.764 94 L CB -0.994 41.017 42.059 -0.080 0.000 0.891 94 L HN 0.645 nan 8.230 nan 0.000 0.435 95 H N -2.331 116.236 119.070 -0.839 0.000 2.489 95 H HA -0.204 4.352 4.556 -0.000 0.000 0.295 95 H C 1.889 176.891 175.328 -0.543 0.000 1.082 95 H CA 1.926 57.170 56.048 -1.340 0.000 1.295 95 H CB -1.272 27.800 29.762 -1.150 0.000 1.380 95 H HN 0.622 nan 8.280 nan 0.000 0.548 96 H N 1.346 119.865 119.070 -0.918 0.000 2.457 96 H HA -0.025 4.531 4.556 -0.000 0.000 0.297 96 H C 1.372 176.524 175.328 -0.293 0.000 1.092 96 H CA 1.033 56.731 56.048 -0.583 0.000 1.309 96 H CB 0.245 29.735 29.762 -0.454 0.000 1.382 96 H HN 0.396 nan 8.280 nan 0.000 0.535 97 K N 0.868 121.189 120.400 -0.132 0.000 2.476 97 K HA 0.231 4.551 4.320 -0.000 0.000 0.196 97 K C 0.280 176.867 176.600 -0.022 0.000 1.025 97 K CA -0.217 56.041 56.287 -0.048 0.000 1.138 97 K CB 0.776 33.264 32.500 -0.020 0.000 0.860 97 K HN 0.132 nan 8.250 nan 0.000 0.515 98 A N 2.103 124.885 122.820 -0.064 0.000 2.520 98 A HA 0.053 4.373 4.320 -0.000 0.000 0.245 98 A C 1.374 178.979 177.584 0.034 0.000 1.072 98 A CA -0.064 51.982 52.037 0.015 0.000 0.761 98 A CB 0.021 19.022 19.000 0.003 0.000 1.004 98 A HN 0.430 nan 8.150 nan 0.000 0.499 99 T N 1.587 116.165 114.554 0.040 0.000 5.537 99 T HA -0.065 4.285 4.350 -0.000 0.000 0.206 99 T C 1.540 176.275 174.700 0.058 0.000 0.986 99 T CA 1.416 63.542 62.100 0.043 0.000 1.488 99 T CB -0.740 68.138 68.868 0.016 0.000 0.945 99 T HN 0.738 nan 8.240 nan 0.000 0.268 100 S N 0.512 116.248 115.700 0.061 0.000 2.121 100 S HA 0.213 4.683 4.470 -0.000 0.000 0.211 100 S C -0.172 174.479 174.600 0.084 0.000 1.316 100 S CA -0.395 57.845 58.200 0.066 0.000 1.061 100 S CB -0.686 62.547 63.200 0.056 0.000 0.831 100 S HN 0.689 nan 8.310 nan 0.000 0.419 101 D N 0.110 120.561 120.400 0.085 0.000 2.198 101 D HA 0.376 5.016 4.640 -0.000 0.000 0.247 101 D C -0.498 175.896 176.300 0.157 0.000 1.010 101 D CA -0.323 53.747 54.000 0.116 0.000 0.880 101 D CB 1.087 41.935 40.800 0.081 0.000 1.209 101 D HN 0.260 nan 8.370 nan 0.000 0.451 102 F N 0.683 120.658 119.950 0.042 0.000 2.181 102 F HA 0.114 4.641 4.527 -0.000 0.000 0.285 102 F C 1.808 177.637 175.800 0.049 0.000 1.134 102 F CA -0.217 57.812 58.000 0.047 0.000 1.139 102 F CB 0.445 39.482 39.000 0.062 0.000 1.614 102 F HN 0.191 nan 8.300 nan 0.000 0.519 103 T N -0.910 113.318 114.554 -0.543 0.000 3.206 103 T HA 0.239 4.588 4.350 -0.000 0.000 0.253 103 T C -0.057 174.638 174.700 -0.008 0.000 1.042 103 T CA -0.179 61.754 62.100 -0.277 0.000 0.931 103 T CB -1.531 67.097 68.868 -0.400 0.000 1.029 103 T HN 0.303 nan 8.240 nan 0.000 0.564 104 C N 3.203 122.616 119.300 0.189 0.000 2.329 104 C HA 0.601 5.061 4.460 -0.000 0.000 0.329 104 C C 0.777 175.844 174.990 0.129 0.000 1.275 104 C CA -1.299 57.835 59.018 0.194 0.000 1.726 104 C CB 0.890 28.800 27.740 0.283 0.000 2.291 104 C HN 0.424 nan 8.230 nan 0.000 0.514 105 K N 1.566 122.017 120.400 0.085 0.000 2.386 105 K HA 0.223 4.543 4.320 -0.000 0.000 0.249 105 K C 1.295 177.930 176.600 0.060 0.000 1.055 105 K CA -0.108 56.216 56.287 0.061 0.000 0.930 105 K CB -0.170 32.356 32.500 0.043 0.000 1.230 105 K HN 0.723 nan 8.250 nan 0.000 0.507 106 S N -0.908 114.819 115.700 0.044 0.000 2.478 106 S HA -0.051 4.419 4.470 -0.000 0.000 0.222 106 S C 1.392 176.010 174.600 0.030 0.000 1.008 106 S CA 0.552 58.775 58.200 0.037 0.000 0.928 106 S CB -0.090 63.127 63.200 0.029 0.000 0.781 106 S HN 0.601 nan 8.310 nan 0.000 0.518 107 K N 0.283 120.700 120.400 0.029 0.000 2.329 107 K HA 0.337 4.657 4.320 -0.000 0.000 0.198 107 K C 1.165 177.781 176.600 0.026 0.000 1.085 107 K CA 0.216 56.517 56.287 0.023 0.000 0.961 107 K CB -0.156 32.355 32.500 0.019 0.000 0.971 107 K HN 0.181 nan 8.250 nan 0.000 0.502 108 S N 0.101 115.821 115.700 0.033 0.000 2.713 108 S HA 0.424 4.894 4.470 -0.000 0.000 0.277 108 S C -0.970 173.661 174.600 0.052 0.000 1.168 108 S CA -0.567 57.656 58.200 0.037 0.000 0.994 108 S CB 1.457 64.678 63.200 0.036 0.000 1.054 108 S HN 0.430 nan 8.310 nan 0.000 0.555 109 C N 3.691 123.025 119.300 0.057 0.000 3.027 109 C HA 0.471 4.931 4.460 -0.000 0.000 0.350 109 C C -0.592 174.451 174.990 0.087 0.000 1.042 109 C CA -0.743 58.322 59.018 0.079 0.000 1.350 109 C CB -1.137 26.637 27.740 0.055 0.000 1.809 109 C HN 0.814 nan 8.230 nan 0.000 0.513 110 L N 3.880 125.170 121.223 0.112 0.000 3.096 110 L HA 0.512 4.852 4.340 -0.000 0.000 0.247 110 L C 1.216 178.181 176.870 0.158 0.000 1.321 110 L CA 0.062 54.963 54.840 0.102 0.000 1.044 110 L CB -0.164 41.931 42.059 0.060 0.000 1.434 110 L HN 0.707 nan 8.230 nan 0.000 0.533 111 G N 0.399 109.322 108.800 0.205 0.000 2.848 111 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.208 111 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.208 111 G C 1.175 176.223 174.900 0.247 0.000 1.152 111 G CA 0.784 46.059 45.100 0.291 0.000 0.789 111 G HN 0.575 nan 8.290 nan 0.000 0.531 112 S N -0.020 115.790 115.700 0.184 0.000 2.582 112 S HA 0.394 4.864 4.470 -0.000 0.000 0.234 112 S C 0.411 175.112 174.600 0.169 0.000 0.961 112 S CA -0.622 57.688 58.200 0.183 0.000 0.953 112 S CB -0.024 63.255 63.200 0.131 0.000 0.800 112 S HN -0.046 nan 8.310 nan 0.000 0.471 113 I N 2.577 123.243 120.570 0.160 0.000 2.365 113 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 113 I C 1.596 177.812 176.117 0.166 0.000 1.004 113 I CA -0.424 60.950 61.300 0.122 0.000 1.311 113 I CB 1.032 39.072 38.000 0.067 0.000 1.401 113 I HN 0.263 nan 8.210 nan 0.000 0.491 114 M N 4.814 124.509 119.600 0.158 0.000 2.066 114 M HA -0.163 4.317 4.480 -0.000 0.000 0.259 114 M C 0.262 176.615 176.300 0.090 0.000 1.074 114 M CA 1.914 57.336 55.300 0.202 0.000 1.114 114 M CB -0.688 31.999 32.600 0.146 0.000 1.306 114 M HN 0.518 nan 8.290 nan 0.000 0.411 115 N N 0.856 119.548 118.700 -0.013 0.000 3.012 115 N HA 0.249 4.989 4.740 -0.000 0.000 0.270 115 N C -2.444 173.059 175.510 -0.012 0.000 1.469 115 N CA -0.935 52.061 53.050 -0.090 0.000 0.928 115 N CB 0.442 38.792 38.487 -0.228 0.000 1.219 115 N HN 0.220 nan 8.380 nan 0.000 0.492 116 P HA 0.090 nan 4.420 nan 0.000 0.274 116 P C 0.170 177.453 177.300 -0.029 0.000 1.231 116 P CA -0.317 62.753 63.100 -0.050 0.000 0.790 116 P CB 1.709 33.310 31.700 -0.164 0.000 0.951 117 K N 0.823 121.196 120.400 -0.044 0.000 2.152 117 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 117 K C 2.113 178.703 176.600 -0.018 0.000 1.048 117 K CA 2.033 58.307 56.287 -0.022 0.000 0.933 117 K CB -0.431 32.049 32.500 -0.033 0.000 0.721 117 K HN 0.578 nan 8.250 nan 0.000 0.447 118 S N 0.743 116.387 115.700 -0.094 0.000 2.419 118 S HA -0.109 4.361 4.470 -0.000 0.000 0.235 118 S C 1.638 176.264 174.600 0.043 0.000 1.019 118 S CA 0.881 59.022 58.200 -0.099 0.000 0.982 118 S CB -0.083 62.909 63.200 -0.347 0.000 0.789 118 S HN 0.086 nan 8.310 nan 0.000 0.490 119 L N 1.462 122.740 121.223 0.090 0.000 2.607 119 L HA 0.410 4.750 4.340 -0.000 0.000 0.228 119 L C 0.315 177.463 176.870 0.463 0.000 1.123 119 L CA 0.561 55.574 54.840 0.287 0.000 0.890 119 L CB -0.563 41.671 42.059 0.292 0.000 1.103 119 L HN 0.287 nan 8.230 nan 0.000 0.468 120 T N -0.335 114.410 114.554 0.318 0.000 2.855 120 T HA 0.476 4.825 4.350 -0.000 0.000 0.281 120 T C -0.187 174.555 174.700 0.070 0.000 1.007 120 T CA -0.473 61.783 62.100 0.259 0.000 1.009 120 T CB 2.280 71.237 68.868 0.148 0.000 0.983 120 T HN -0.153 nan 8.240 nan 0.000 0.455 121 R N 1.819 122.321 120.500 0.003 0.000 2.352 121 R HA 0.566 4.906 4.340 -0.000 0.000 0.304 121 R C 0.423 176.678 176.300 -0.075 0.000 1.104 121 R CA -0.434 55.552 56.100 -0.190 0.000 0.991 121 R CB 0.129 30.181 30.300 -0.413 0.000 1.140 121 R HN 0.829 nan 8.270 nan 0.000 0.540 122 G N 3.076 111.833 108.800 -0.072 0.000 2.588 122 G HA2 0.332 4.292 3.960 -0.000 0.000 0.278 122 G HA3 0.332 4.292 3.960 -0.000 0.000 0.278 122 G C -2.054 172.812 174.900 -0.057 0.000 1.307 122 G CA -1.093 43.972 45.100 -0.058 0.000 1.016 122 G HN 0.484 nan 8.290 nan 0.000 0.503 123 P HA 0.228 nan 4.420 nan 0.000 0.269 123 P C -0.182 177.092 177.300 -0.044 0.000 1.209 123 P CA -0.059 63.011 63.100 -0.050 0.000 0.776 123 P CB 0.603 32.269 31.700 -0.058 0.000 0.876 124 R N 1.603 122.081 120.500 -0.037 0.000 2.782 124 R HA 0.296 4.636 4.340 -0.000 0.000 0.258 124 R C 0.227 176.507 176.300 -0.033 0.000 1.055 124 R CA -0.457 55.624 56.100 -0.031 0.000 1.065 124 R CB 1.083 31.369 30.300 -0.024 0.000 1.172 124 R HN 0.445 nan 8.270 nan 0.000 0.510 125 D N -0.749 119.634 120.400 -0.028 0.000 2.473 125 D HA 0.064 4.704 4.640 -0.000 0.000 0.242 125 D C -0.487 175.799 176.300 -0.023 0.000 1.106 125 D CA 0.539 54.520 54.000 -0.032 0.000 0.854 125 D CB 0.782 41.566 40.800 -0.028 0.000 1.192 125 D HN 0.451 nan 8.370 nan 0.000 0.503 126 K N -0.812 119.580 120.400 -0.013 0.000 2.522 126 K HA 0.575 4.895 4.320 -0.000 0.000 0.275 126 K C -3.033 173.570 176.600 0.005 0.000 1.006 126 K CA -1.881 54.405 56.287 -0.001 0.000 0.890 126 K CB 1.215 33.715 32.500 0.000 0.000 1.475 126 K HN -0.344 nan 8.250 nan 0.000 0.441 127 P HA -0.060 nan 4.420 nan 0.000 0.267 127 P C -0.538 176.770 177.300 0.013 0.000 1.200 127 P CA 0.150 63.261 63.100 0.017 0.000 0.772 127 P CB 0.429 32.144 31.700 0.025 0.000 0.855 128 T N 1.423 115.986 114.554 0.015 0.000 2.888 128 T HA 0.218 4.568 4.350 -0.000 0.000 0.301 128 T C -2.255 172.459 174.700 0.024 0.000 1.001 128 T CA -1.534 60.577 62.100 0.019 0.000 1.147 128 T CB -0.443 68.443 68.868 0.030 0.000 0.931 128 T HN 0.141 nan 8.240 nan 0.000 0.541 129 P HA 0.064 nan 4.420 nan 0.000 0.261 129 P C 1.193 178.496 177.300 0.005 0.000 1.183 129 P CA -0.251 62.854 63.100 0.008 0.000 0.761 129 P CB 0.382 32.082 31.700 -0.000 0.000 0.785 130 L N 4.261 125.486 121.223 0.004 0.000 2.051 130 L HA -0.279 4.061 4.340 -0.000 0.000 0.214 130 L C 2.191 179.045 176.870 -0.026 0.000 1.076 130 L CA 1.691 56.530 54.840 -0.003 0.000 0.758 130 L CB -0.395 41.662 42.059 -0.003 0.000 0.890 130 L HN 0.452 nan 8.230 nan 0.000 0.433 131 E N 0.486 120.668 120.200 -0.031 0.000 2.187 131 E HA -0.333 4.017 4.350 -0.000 0.000 0.199 131 E C 1.644 178.192 176.600 -0.085 0.000 1.004 131 E CA 2.096 58.467 56.400 -0.048 0.000 0.813 131 E CB -0.529 29.148 29.700 -0.037 0.000 0.736 131 E HN 0.892 nan 8.360 nan 0.000 0.468 132 E N 0.564 120.713 120.200 -0.085 0.000 2.251 132 E HA -0.020 4.329 4.350 -0.000 0.000 0.194 132 E C 2.326 178.803 176.600 -0.206 0.000 0.964 132 E CA -0.035 56.264 56.400 -0.169 0.000 0.868 132 E CB -0.359 29.298 29.700 -0.072 0.000 0.828 132 E HN 0.161 nan 8.360 nan 0.000 0.481 133 L N 1.443 122.649 121.223 -0.029 0.000 1.976 133 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 133 L C 2.339 179.222 176.870 0.022 0.000 1.071 133 L CA 1.588 56.469 54.840 0.069 0.000 0.746 133 L CB -0.867 41.247 42.059 0.092 0.000 0.890 133 L HN 0.330 nan 8.230 nan 0.000 0.432 134 L N 0.436 121.636 121.223 -0.038 0.000 1.997 134 L HA -0.162 4.178 4.340 -0.000 0.000 0.216 134 L C -0.520 176.315 176.870 -0.057 0.000 1.074 134 L CA 2.453 57.252 54.840 -0.067 0.000 0.763 134 L CB -2.070 39.949 42.059 -0.066 0.000 0.890 134 L HN 0.237 nan 8.230 nan 0.000 0.434 135 P HA -0.124 nan 4.420 nan 0.000 0.218 135 P C 1.169 178.482 177.300 0.022 0.000 1.149 135 P CA 1.491 64.543 63.100 -0.080 0.000 0.817 135 P CB -0.183 31.418 31.700 -0.165 0.000 0.785 136 H N -0.528 118.573 119.070 0.051 0.000 2.333 136 H HA 0.129 4.685 4.556 -0.000 0.000 0.302 136 H C 2.041 177.451 175.328 0.138 0.000 1.075 136 H CA 1.354 57.458 56.048 0.094 0.000 1.348 136 H CB -1.076 28.741 29.762 0.093 0.000 1.393 136 H HN 0.019 nan 8.280 nan 0.000 0.509 137 A N 1.292 124.242 122.820 0.217 0.000 1.883 137 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 137 A C 2.642 180.305 177.584 0.132 0.000 1.186 137 A CA 1.585 53.695 52.037 0.122 0.000 0.624 137 A CB -0.905 17.907 19.000 -0.314 0.000 0.822 137 A HN 0.320 nan 8.150 nan 0.000 0.444 138 I N -0.822 119.789 120.570 0.067 0.000 2.226 138 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 138 I C 2.635 178.829 176.117 0.129 0.000 1.100 138 I CA 1.484 62.826 61.300 0.070 0.000 1.374 138 I CB -0.442 37.575 38.000 0.028 0.000 1.057 138 I HN 0.350 nan 8.210 nan 0.000 0.413 139 E N 1.146 121.445 120.200 0.164 0.000 2.058 139 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 139 E C 2.111 178.843 176.600 0.220 0.000 0.997 139 E CA 1.706 58.214 56.400 0.180 0.000 0.801 139 E CB -0.320 29.507 29.700 0.211 0.000 0.746 139 E HN 0.415 nan 8.360 nan 0.000 0.450 140 F N 1.561 121.598 119.950 0.146 0.000 2.102 140 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 140 F C 2.172 178.062 175.800 0.151 0.000 1.105 140 F CA 1.123 59.224 58.000 0.167 0.000 1.239 140 F CB -0.404 38.717 39.000 0.201 0.000 0.991 140 F HN -0.026 nan 8.300 nan 0.000 0.474 141 I N 0.944 121.499 120.570 -0.025 0.000 2.208 141 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 141 I C 2.050 178.139 176.117 -0.046 0.000 1.097 141 I CA 1.346 62.608 61.300 -0.064 0.000 1.363 141 I CB -1.650 36.428 38.000 0.130 0.000 1.051 141 I HN 0.285 nan 8.210 nan 0.000 0.413 142 N N 0.675 119.386 118.700 0.018 0.000 2.188 142 N HA -0.208 4.532 4.740 -0.000 0.000 0.184 142 N C 1.879 177.304 175.510 -0.142 0.000 1.018 142 N CA 0.977 54.032 53.050 0.009 0.000 0.858 142 N CB -0.265 38.290 38.487 0.113 0.000 0.989 142 N HN 0.519 nan 8.380 nan 0.000 0.426 143 Q N -0.091 119.646 119.800 -0.104 0.000 2.050 143 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 143 Q C 1.976 177.777 176.000 -0.332 0.000 0.980 143 Q CA 1.285 57.038 55.803 -0.083 0.000 0.840 143 Q CB -0.162 28.647 28.738 0.118 0.000 0.898 143 Q HN 0.374 nan 8.270 nan 0.000 0.424 144 Y N -0.031 119.783 120.300 -0.810 0.000 2.053 144 Y HA -0.311 4.239 4.550 -0.000 0.000 0.277 144 Y C 1.611 176.654 175.900 -1.428 0.000 1.159 144 Y CA 2.067 59.325 58.100 -1.403 0.000 1.125 144 Y CB -0.715 36.893 38.460 -1.421 0.000 0.969 144 Y HN 0.203 nan 8.280 nan 0.000 0.492 145 Y N -0.270 119.230 120.300 -1.332 0.000 2.421 145 Y HA 0.003 4.553 4.550 -0.000 0.000 0.292 145 Y C 2.587 177.797 175.900 -1.150 0.000 1.136 145 Y CA 1.026 58.142 58.100 -1.640 0.000 1.255 145 Y CB -0.705 36.962 38.460 -1.321 0.000 0.991 145 Y HN 0.245 nan 8.280 nan 0.000 0.552 146 G N -1.096 107.328 108.800 -0.626 0.000 2.572 146 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 146 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 146 G C 1.710 176.440 174.900 -0.284 0.000 1.133 146 G CA 0.910 45.817 45.100 -0.322 0.000 0.791 146 G HN 0.460 nan 8.290 nan 0.000 0.538 147 S N 0.211 115.648 115.700 -0.439 0.000 2.461 147 S HA 0.176 4.646 4.470 -0.000 0.000 0.228 147 S C 0.740 175.315 174.600 -0.042 0.000 1.005 147 S CA -0.332 57.761 58.200 -0.179 0.000 0.942 147 S CB -0.290 62.874 63.200 -0.059 0.000 0.776 147 S HN -0.002 nan 8.310 nan 0.000 0.514 148 F N 2.905 122.713 119.950 -0.238 0.000 2.602 148 F HA 0.339 4.866 4.527 -0.000 0.000 0.367 148 F C 1.679 177.426 175.800 -0.089 0.000 1.126 148 F CA -1.495 56.397 58.000 -0.180 0.000 1.321 148 F CB 0.216 39.093 39.000 -0.204 0.000 1.094 148 F HN 0.035 nan 8.300 nan 0.000 0.594 149 K N 1.752 122.233 120.400 0.134 0.000 2.097 149 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 149 K C 0.174 176.812 176.600 0.064 0.000 1.050 149 K CA 1.189 57.517 56.287 0.068 0.000 0.938 149 K CB 0.017 32.536 32.500 0.032 0.000 0.718 149 K HN 0.845 nan 8.250 nan 0.000 0.442 150 E N 0.331 120.575 120.200 0.073 0.000 2.182 150 E HA 0.469 4.819 4.350 -0.000 0.000 0.258 150 E C -1.072 175.601 176.600 0.122 0.000 0.879 150 E CA -0.641 55.797 56.400 0.063 0.000 0.754 150 E CB 1.477 31.190 29.700 0.021 0.000 1.162 150 E HN 0.097 nan 8.360 nan 0.000 0.419 151 A N 4.197 127.093 122.820 0.126 0.000 2.547 151 A HA 0.047 4.367 4.320 -0.000 0.000 0.233 151 A C 0.036 177.733 177.584 0.188 0.000 1.067 151 A CA 0.072 52.212 52.037 0.173 0.000 0.763 151 A CB 0.177 19.244 19.000 0.111 0.000 1.007 151 A HN 0.692 nan 8.150 nan 0.000 0.506 152 K N 2.692 123.257 120.400 0.276 0.000 2.954 152 K HA 0.240 4.560 4.320 -0.000 0.000 0.171 152 K C -0.117 176.585 176.600 0.170 0.000 1.079 152 K CA -0.376 56.051 56.287 0.232 0.000 0.908 152 K CB 0.377 33.082 32.500 0.342 0.000 1.142 152 K HN 0.557 nan 8.250 nan 0.000 0.613 153 I N 1.653 122.285 120.570 0.102 0.000 2.068 153 I HA -0.415 3.755 4.170 -0.000 0.000 0.238 153 I C 2.675 178.766 176.117 -0.044 0.000 1.046 153 I CA 1.764 63.080 61.300 0.026 0.000 1.306 153 I CB -0.542 37.450 38.000 -0.013 0.000 1.023 153 I HN 0.494 nan 8.210 nan 0.000 0.399 154 E N 1.768 121.954 120.200 -0.023 0.000 2.070 154 E HA -0.328 4.022 4.350 -0.000 0.000 0.197 154 E C 2.024 178.598 176.600 -0.043 0.000 1.004 154 E CA 2.141 58.519 56.400 -0.036 0.000 0.805 154 E CB -1.070 28.624 29.700 -0.010 0.000 0.744 154 E HN 0.757 nan 8.360 nan 0.000 0.451 155 E N -0.054 120.143 120.200 -0.005 0.000 2.150 155 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 155 E C 2.267 178.741 176.600 -0.210 0.000 0.985 155 E CA 0.901 57.308 56.400 0.011 0.000 0.814 155 E CB -0.219 29.580 29.700 0.165 0.000 0.752 155 E HN 0.649 nan 8.360 nan 0.000 0.466 156 H N 0.284 118.997 119.070 -0.594 0.000 2.270 156 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 156 H C 2.283 177.273 175.328 -0.564 0.000 1.077 156 H CA 1.541 56.886 56.048 -1.170 0.000 1.294 156 H CB -0.017 29.309 29.762 -0.726 0.000 1.371 156 H HN 0.140 nan 8.280 nan 0.000 0.491 157 L N 0.508 121.559 121.223 -0.287 0.000 2.079 157 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 157 L C 3.061 179.853 176.870 -0.130 0.000 1.081 157 L CA 0.920 55.614 54.840 -0.243 0.000 0.752 157 L CB -0.624 41.313 42.059 -0.202 0.000 0.896 157 L HN 0.438 nan 8.230 nan 0.000 0.433 158 A N 0.273 123.034 122.820 -0.099 0.000 1.865 158 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 158 A C 2.378 179.954 177.584 -0.014 0.000 1.191 158 A CA 2.014 54.026 52.037 -0.041 0.000 0.623 158 A CB -0.515 18.478 19.000 -0.012 0.000 0.826 158 A HN 0.285 nan 8.150 nan 0.000 0.444 159 R N -0.056 120.437 120.500 -0.011 0.000 2.081 159 R HA -0.014 4.326 4.340 -0.000 0.000 0.235 159 R C 1.955 178.285 176.300 0.049 0.000 1.131 159 R CA 1.621 57.762 56.100 0.068 0.000 0.960 159 R CB -0.967 29.440 30.300 0.178 0.000 0.856 159 R HN 0.530 nan 8.270 nan 0.000 0.436 160 L N 0.217 121.447 121.223 0.013 0.000 1.989 160 L HA -0.213 4.127 4.340 -0.000 0.000 0.211 160 L C 2.586 179.443 176.870 -0.021 0.000 1.071 160 L CA 2.133 56.974 54.840 0.002 0.000 0.749 160 L CB -0.557 41.480 42.059 -0.035 0.000 0.890 160 L HN 0.412 nan 8.230 nan 0.000 0.431 161 E N -0.171 120.011 120.200 -0.031 0.000 2.085 161 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 161 E C 2.164 178.758 176.600 -0.011 0.000 0.994 161 E CA 1.210 57.593 56.400 -0.027 0.000 0.801 161 E CB -0.010 29.673 29.700 -0.029 0.000 0.743 161 E HN 0.487 nan 8.360 nan 0.000 0.453 162 A N 0.540 123.365 122.820 0.008 0.000 1.865 162 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 162 A C 2.436 180.036 177.584 0.026 0.000 1.191 162 A CA 1.821 53.875 52.037 0.029 0.000 0.623 162 A CB -0.928 18.106 19.000 0.056 0.000 0.826 162 A HN 0.227 nan 8.150 nan 0.000 0.444 163 V N 0.011 119.933 119.914 0.014 0.000 2.332 163 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 163 V C 2.733 178.759 176.094 -0.113 0.000 1.055 163 V CA 2.509 64.773 62.300 -0.060 0.000 1.038 163 V CB -1.501 30.237 31.823 -0.142 0.000 0.651 163 V HN 0.651 nan 8.190 nan 0.000 0.450 164 T N -0.116 114.390 114.554 -0.080 0.000 2.622 164 T HA -0.239 4.111 4.350 -0.000 0.000 0.266 164 T C 1.924 176.600 174.700 -0.040 0.000 1.047 164 T CA 1.674 63.732 62.100 -0.070 0.000 1.159 164 T CB -0.301 68.538 68.868 -0.049 0.000 0.863 164 T HN 0.450 nan 8.240 nan 0.000 0.422 165 K N 0.771 121.159 120.400 -0.019 0.000 2.103 165 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 165 K C 2.447 179.054 176.600 0.011 0.000 1.048 165 K CA 1.344 57.630 56.287 -0.003 0.000 0.930 165 K CB -0.184 32.318 32.500 0.003 0.000 0.716 165 K HN 0.491 nan 8.250 nan 0.000 0.444 166 E N 1.050 121.264 120.200 0.023 0.000 2.051 166 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 166 E C 2.035 178.670 176.600 0.058 0.000 0.991 166 E CA 0.947 57.381 56.400 0.056 0.000 0.799 166 E CB 0.005 29.769 29.700 0.107 0.000 0.748 166 E HN 0.226 nan 8.360 nan 0.000 0.449 167 I N 1.031 121.618 120.570 0.028 0.000 2.179 167 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 167 I C 2.215 178.344 176.117 0.019 0.000 1.088 167 I CA 1.398 62.715 61.300 0.028 0.000 1.357 167 I CB -0.265 37.708 38.000 -0.046 0.000 1.051 167 I HN 0.168 nan 8.210 nan 0.000 0.409 168 E N 0.069 120.270 120.200 0.002 0.000 2.150 168 E HA -0.196 4.153 4.350 -0.000 0.000 0.193 168 E C 2.142 178.748 176.600 0.011 0.000 0.985 168 E CA 1.912 58.313 56.400 0.002 0.000 0.814 168 E CB -0.118 29.577 29.700 -0.007 0.000 0.752 168 E HN 0.626 nan 8.360 nan 0.000 0.466 169 T N -1.800 112.765 114.554 0.017 0.000 3.010 169 T HA -0.041 4.309 4.350 -0.000 0.000 0.252 169 T C 2.135 176.851 174.700 0.027 0.000 1.047 169 T CA 1.202 63.314 62.100 0.020 0.000 1.140 169 T CB -0.157 68.723 68.868 0.021 0.000 0.885 169 T HN 0.170 nan 8.240 nan 0.000 0.464 170 T N -2.168 112.409 114.554 0.039 0.000 3.014 170 T HA 0.462 4.812 4.350 -0.000 0.000 0.250 170 T C 1.682 176.410 174.700 0.048 0.000 1.060 170 T CA 0.491 62.617 62.100 0.044 0.000 1.040 170 T CB -0.279 68.623 68.868 0.056 0.000 0.971 170 T HN 1.096 nan 8.240 nan 0.000 0.497 171 G N 0.586 109.416 108.800 0.051 0.000 2.248 171 G HA2 0.028 3.988 3.960 -0.000 0.000 0.263 171 G HA3 0.028 3.988 3.960 -0.000 0.000 0.263 171 G C 0.108 175.054 174.900 0.077 0.000 1.082 171 G CA 0.501 45.632 45.100 0.051 0.000 0.863 171 G HN 1.231 nan 8.290 nan 0.000 0.495 172 T N -1.919 112.709 114.554 0.123 0.000 2.606 172 T HA 0.559 4.908 4.350 -0.000 0.000 0.246 172 T C -1.482 173.412 174.700 0.324 0.000 2.105 172 T CA 0.479 62.703 62.100 0.207 0.000 0.967 172 T CB 0.195 69.122 68.868 0.099 0.000 2.295 172 T HN 2.034 nan 8.240 nan 0.000 0.402 173 Y N -0.565 119.748 120.300 0.022 0.000 2.741 173 Y HA 0.780 5.329 4.550 -0.000 0.000 0.339 173 Y C -1.727 174.197 175.900 0.040 0.000 1.226 173 Y CA -1.187 56.935 58.100 0.037 0.000 1.072 173 Y CB 0.541 39.035 38.460 0.056 0.000 1.331 173 Y HN 0.606 nan 8.280 nan 0.000 0.453 174 Q N 1.962 121.717 119.800 -0.075 0.000 2.306 174 Q HA 0.597 4.937 4.340 -0.000 0.000 0.265 174 Q C -0.940 175.003 176.000 -0.095 0.000 1.022 174 Q CA -0.891 54.822 55.803 -0.149 0.000 0.853 174 Q CB 3.066 31.789 28.738 -0.025 0.000 1.327 174 Q HN 0.829 nan 8.270 nan 0.000 0.449 175 L N 0.974 122.139 121.223 -0.096 0.000 2.399 175 L HA 0.414 4.754 4.340 -0.000 0.000 0.265 175 L C 0.997 177.883 176.870 0.025 0.000 1.089 175 L CA -0.651 54.200 54.840 0.019 0.000 0.802 175 L CB 1.050 43.130 42.059 0.034 0.000 1.180 175 L HN 0.687 nan 8.230 nan 0.000 0.454 176 T N -1.338 113.227 114.554 0.018 0.000 2.882 176 T HA 0.176 4.526 4.350 -0.000 0.000 0.287 176 T C 0.897 175.584 174.700 -0.022 0.000 1.014 176 T CA -0.677 61.421 62.100 -0.005 0.000 1.049 176 T CB 1.166 70.021 68.868 -0.021 0.000 1.001 176 T HN 0.499 nan 8.240 nan 0.000 0.525 177 L N 0.907 122.120 121.223 -0.016 0.000 2.042 177 L HA -0.029 4.311 4.340 -0.000 0.000 0.210 177 L C 2.003 178.867 176.870 -0.011 0.000 1.076 177 L CA 2.079 56.904 54.840 -0.024 0.000 0.749 177 L CB -0.934 41.111 42.059 -0.024 0.000 0.893 177 L HN 0.817 nan 8.230 nan 0.000 0.432 178 D N -0.614 119.786 120.400 -0.000 0.000 2.117 178 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 178 D C 2.114 178.443 176.300 0.048 0.000 0.987 178 D CA 1.452 55.485 54.000 0.055 0.000 0.829 178 D CB 0.027 40.890 40.800 0.105 0.000 0.961 178 D HN 0.515 nan 8.370 nan 0.000 0.460 179 E N -0.281 119.803 120.200 -0.193 0.000 2.077 179 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 179 E C 1.949 178.692 176.600 0.238 0.000 0.989 179 E CA 0.351 56.592 56.400 -0.264 0.000 0.800 179 E CB -0.057 29.457 29.700 -0.310 0.000 0.746 179 E HN 0.158 nan 8.360 nan 0.000 0.452 180 L N 1.354 122.633 121.223 0.093 0.000 1.976 180 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 180 L C 2.136 179.029 176.870 0.038 0.000 1.071 180 L CA 1.607 56.451 54.840 0.005 0.000 0.746 180 L CB -0.425 41.572 42.059 -0.104 0.000 0.890 180 L HN 0.114 nan 8.230 nan 0.000 0.432 181 I N -1.055 119.546 120.570 0.052 0.000 2.185 181 I HA -0.374 3.796 4.170 -0.000 0.000 0.246 181 I C 2.413 178.626 176.117 0.159 0.000 1.088 181 I CA 1.993 63.327 61.300 0.057 0.000 1.347 181 I CB -0.492 37.536 38.000 0.047 0.000 1.041 181 I HN 0.380 nan 8.210 nan 0.000 0.415 182 F N 1.674 121.701 119.950 0.129 0.000 2.134 182 F HA -0.203 4.323 4.527 -0.000 0.000 0.299 182 F C 2.449 178.386 175.800 0.228 0.000 1.097 182 F CA 1.487 59.619 58.000 0.219 0.000 1.264 182 F CB -0.302 38.898 39.000 0.333 0.000 1.001 182 F HN -0.013 nan 8.300 nan 0.000 0.479 183 A N 0.006 123.020 122.820 0.325 0.000 1.933 183 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 183 A C 2.226 179.750 177.584 -0.100 0.000 1.175 183 A CA 2.230 54.331 52.037 0.107 0.000 0.628 183 A CB -1.631 17.387 19.000 0.029 0.000 0.814 183 A HN 0.562 nan 8.150 nan 0.000 0.444 184 T N -1.891 112.628 114.554 -0.058 0.000 2.904 184 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 184 T C 1.717 176.474 174.700 0.096 0.000 1.059 184 T CA 1.465 63.550 62.100 -0.024 0.000 1.137 184 T CB -0.245 68.623 68.868 -0.001 0.000 0.879 184 T HN 0.559 nan 8.240 nan 0.000 0.467 185 K N 0.168 120.630 120.400 0.103 0.000 2.137 185 K HA 0.194 4.514 4.320 -0.000 0.000 0.202 185 K C 2.377 179.111 176.600 0.223 0.000 1.052 185 K CA 0.658 57.108 56.287 0.272 0.000 0.961 185 K CB -0.167 32.462 32.500 0.215 0.000 0.741 185 K HN 0.232 nan 8.250 nan 0.000 0.452 186 M N 0.780 120.330 119.600 -0.083 0.000 2.175 186 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 186 M C 2.394 178.585 176.300 -0.181 0.000 1.063 186 M CA 1.280 56.434 55.300 -0.243 0.000 1.119 186 M CB -0.916 31.435 32.600 -0.415 0.000 1.377 186 M HN 0.141 nan 8.290 nan 0.000 0.415 187 A N -0.999 121.686 122.820 -0.225 0.000 1.969 187 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 187 A C 1.976 179.461 177.584 -0.166 0.000 1.169 187 A CA 1.190 52.961 52.037 -0.444 0.000 0.635 187 A CB -0.987 17.321 19.000 -1.153 0.000 0.810 187 A HN 0.677 nan 8.150 nan 0.000 0.445 188 W N 0.935 122.184 121.300 -0.085 0.000 2.409 188 W HA -0.048 4.612 4.660 -0.000 0.000 0.299 188 W C 2.228 178.691 176.519 -0.094 0.000 1.203 188 W CA 1.253 58.588 57.345 -0.016 0.000 1.298 188 W CB -0.598 28.863 29.460 0.001 0.000 1.127 188 W HN 0.355 nan 8.180 nan 0.000 0.528 189 R N 0.441 120.923 120.500 -0.030 0.000 2.120 189 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 189 R C 0.948 177.118 176.300 -0.216 0.000 1.123 189 R CA 1.630 57.523 56.100 -0.345 0.000 0.975 189 R CB -0.480 29.361 30.300 -0.766 0.000 0.866 189 R HN 0.011 nan 8.270 nan 0.000 0.446 190 N N 0.151 118.761 118.700 -0.149 0.000 2.276 190 N HA 0.083 4.823 4.740 -0.000 0.000 0.212 190 N C -1.020 174.419 175.510 -0.118 0.000 1.127 190 N CA 0.293 53.288 53.050 -0.092 0.000 0.834 190 N CB 1.368 39.849 38.487 -0.010 0.000 1.014 190 N HN 0.144 nan 8.380 nan 0.000 0.491 191 A N 1.909 124.648 122.820 -0.135 0.000 2.506 191 A HA 0.318 4.638 4.320 -0.000 0.000 0.320 191 A C -1.155 176.366 177.584 -0.106 0.000 1.424 191 A CA -1.239 50.663 52.037 -0.225 0.000 1.044 191 A CB 0.620 19.534 19.000 -0.143 0.000 1.140 191 A HN -0.037 nan 8.150 nan 0.000 0.538 192 P HA -0.159 nan 4.420 nan 0.000 0.226 192 P C 0.766 178.027 177.300 -0.065 0.000 1.146 192 P CA 1.036 64.102 63.100 -0.057 0.000 0.773 192 P CB 0.213 31.875 31.700 -0.064 0.000 0.772 193 R N -1.637 118.784 120.500 -0.131 0.000 2.362 193 R HA 0.161 4.501 4.340 -0.000 0.000 0.227 193 R C 0.534 176.841 176.300 0.012 0.000 0.905 193 R CA -0.188 55.852 56.100 -0.100 0.000 1.067 193 R CB -0.120 29.907 30.300 -0.454 0.000 1.078 193 R HN 0.138 nan 8.270 nan 0.000 0.516 194 C N 1.094 120.382 119.300 -0.020 0.000 2.265 194 C HA 0.314 4.774 4.460 -0.000 0.000 0.332 194 C C 1.769 176.734 174.990 -0.041 0.000 1.248 194 C CA -0.768 58.267 59.018 0.028 0.000 1.727 194 C CB -0.613 27.197 27.740 0.117 0.000 2.348 194 C HN 0.561 nan 8.230 nan 0.000 0.519 195 I N 4.229 124.742 120.570 -0.096 0.000 3.251 195 I HA 0.164 4.334 4.170 -0.000 0.000 0.277 195 I C 1.753 177.909 176.117 0.065 0.000 1.268 195 I CA 1.059 62.228 61.300 -0.219 0.000 1.449 195 I CB 0.093 37.976 38.000 -0.196 0.000 1.083 195 I HN 0.902 nan 8.210 nan 0.000 0.464 196 G N 0.090 108.951 108.800 0.101 0.000 3.523 196 G HA2 0.083 4.043 3.960 -0.000 0.000 0.270 196 G HA3 0.083 4.043 3.960 -0.000 0.000 0.270 196 G C 1.132 176.058 174.900 0.043 0.000 1.134 196 G CA -0.404 44.763 45.100 0.111 0.000 0.825 196 G HN 0.233 nan 8.290 nan 0.000 0.534 197 R N -0.117 120.356 120.500 -0.045 0.000 2.377 197 R HA 0.097 4.437 4.340 -0.000 0.000 0.207 197 R C 1.877 177.651 176.300 -0.878 0.000 1.075 197 R CA 0.176 55.975 56.100 -0.502 0.000 1.035 197 R CB -0.125 29.965 30.300 -0.349 0.000 0.857 197 R HN 0.480 nan 8.270 nan 0.000 0.475 198 I N 0.526 120.742 120.570 -0.590 0.000 3.001 198 I HA -0.188 3.982 4.170 -0.000 0.000 0.268 198 I C 1.280 177.262 176.117 -0.224 0.000 1.267 198 I CA 1.028 62.130 61.300 -0.331 0.000 1.472 198 I CB 0.204 38.189 38.000 -0.025 0.000 1.089 198 I HN 0.164 nan 8.210 nan 0.000 0.468 199 Q N 0.543 120.115 119.800 -0.380 0.000 2.360 199 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 199 Q C 1.619 177.023 176.000 -0.994 0.000 0.915 199 Q CA 0.297 55.844 55.803 -0.426 0.000 0.943 199 Q CB -0.166 28.489 28.738 -0.137 0.000 1.064 199 Q HN 0.781 nan 8.270 nan 0.000 0.511 200 W N 1.362 121.773 121.300 -1.481 0.000 2.296 200 W HA -0.251 4.409 4.660 -0.000 0.000 0.296 200 W C 1.038 177.192 176.519 -0.608 0.000 1.220 200 W CA 1.632 58.003 57.345 -1.623 0.000 1.223 200 W CB -1.332 27.494 29.460 -1.056 0.000 1.139 200 W HN 0.123 nan 8.180 nan 0.000 0.534 201 S N -0.116 114.746 115.700 -1.396 0.000 2.558 201 S HA 0.038 4.508 4.470 -0.000 0.000 0.217 201 S C 0.324 174.662 174.600 -0.436 0.000 0.975 201 S CA -0.008 57.548 58.200 -1.073 0.000 0.912 201 S CB -0.766 61.631 63.200 -1.338 0.000 0.776 201 S HN 0.351 nan 8.310 nan 0.000 0.526 202 N N 1.473 120.012 118.700 -0.268 0.000 2.817 202 N HA 0.544 5.284 4.740 -0.000 0.000 0.234 202 N C -1.563 174.037 175.510 0.149 0.000 1.066 202 N CA -0.323 52.702 53.050 -0.042 0.000 0.926 202 N CB 1.011 39.501 38.487 0.004 0.000 1.176 202 N HN 0.183 nan 8.380 nan 0.000 0.506 203 L N 1.663 122.947 121.223 0.103 0.000 2.464 203 L HA 0.350 4.690 4.340 -0.000 0.000 0.266 203 L C -1.073 175.768 176.870 -0.050 0.000 0.965 203 L CA -0.736 54.169 54.840 0.109 0.000 0.833 203 L CB 1.972 44.154 42.059 0.205 0.000 1.296 203 L HN 0.232 nan 8.230 nan 0.000 0.405 204 Q N 3.062 122.785 119.800 -0.129 0.000 2.279 204 Q HA 0.577 4.917 4.340 -0.000 0.000 0.256 204 Q C -1.649 174.027 176.000 -0.540 0.000 0.937 204 Q CA -0.155 55.404 55.803 -0.408 0.000 0.933 204 Q CB 1.435 29.805 28.738 -0.613 0.000 1.189 204 Q HN 0.530 nan 8.270 nan 0.000 0.417 205 V N 5.865 125.439 119.914 -0.567 0.000 2.370 205 V HA 0.437 4.557 4.120 -0.000 0.000 0.283 205 V C -0.818 174.901 176.094 -0.624 0.000 1.023 205 V CA -0.550 61.477 62.300 -0.456 0.000 0.857 205 V CB 0.715 32.389 31.823 -0.248 0.000 0.985 205 V HN 0.669 nan 8.190 nan 0.000 0.443 206 F N 2.721 122.510 119.950 -0.269 0.000 2.332 206 F HA 0.359 4.886 4.527 -0.000 0.000 0.368 206 F C 0.436 176.079 175.800 -0.262 0.000 1.110 206 F CA -1.015 56.830 58.000 -0.258 0.000 1.087 206 F CB 1.078 39.910 39.000 -0.280 0.000 1.235 206 F HN 0.443 nan 8.300 nan 0.000 0.470 207 D N 3.402 123.765 120.400 -0.061 0.000 2.359 207 D HA 0.316 4.956 4.640 -0.000 0.000 0.250 207 D C 0.263 176.468 176.300 -0.159 0.000 1.264 207 D CA 0.182 54.108 54.000 -0.124 0.000 0.911 207 D CB 0.980 41.727 40.800 -0.088 0.000 1.056 207 D HN 0.586 nan 8.370 nan 0.000 0.499 208 A N 4.621 127.227 122.820 -0.357 0.000 2.630 208 A HA 0.160 4.480 4.320 -0.000 0.000 0.290 208 A C 1.674 179.055 177.584 -0.339 0.000 1.267 208 A CA -0.417 51.270 52.037 -0.583 0.000 0.950 208 A CB 0.006 18.196 19.000 -1.350 0.000 1.144 208 A HN 0.539 nan 8.150 nan 0.000 0.527 209 R N 0.474 120.860 120.500 -0.189 0.000 2.293 209 R HA -0.146 4.194 4.340 -0.000 0.000 0.219 209 R C 1.239 177.481 176.300 -0.097 0.000 1.091 209 R CA 1.533 57.566 56.100 -0.111 0.000 1.004 209 R CB -0.118 30.160 30.300 -0.036 0.000 0.865 209 R HN 0.808 nan 8.270 nan 0.000 0.469 210 N N -0.546 118.118 118.700 -0.060 0.000 2.424 210 N HA -0.065 4.675 4.740 -0.000 0.000 0.178 210 N C 0.577 176.113 175.510 0.043 0.000 1.060 210 N CA -0.055 52.996 53.050 0.002 0.000 0.901 210 N CB -0.262 38.247 38.487 0.037 0.000 0.979 210 N HN 0.005 nan 8.380 nan 0.000 0.451 211 C N -0.078 119.245 119.300 0.038 0.000 2.608 211 C HA 0.177 4.637 4.460 -0.000 0.000 0.407 211 C C 1.749 176.873 174.990 0.223 0.000 1.322 211 C CA 0.719 59.843 59.018 0.177 0.000 1.778 211 C CB -0.278 27.614 27.740 0.253 0.000 2.654 211 C HN 0.621 nan 8.230 nan 0.000 0.622 212 S N 0.765 116.653 115.700 0.314 0.000 2.648 212 S HA 0.221 4.691 4.470 -0.000 0.000 0.270 212 S C 0.327 175.083 174.600 0.260 0.000 1.082 212 S CA 0.625 59.022 58.200 0.327 0.000 1.116 212 S CB 0.019 63.334 63.200 0.192 0.000 1.040 212 S HN 1.075 nan 8.310 nan 0.000 0.572 213 T N -1.599 113.087 114.554 0.221 0.000 2.887 213 T HA 0.819 5.169 4.350 -0.000 0.000 0.292 213 T C 1.198 175.963 174.700 0.107 0.000 1.087 213 T CA -0.048 62.129 62.100 0.127 0.000 1.009 213 T CB 1.205 70.143 68.868 0.118 0.000 1.203 213 T HN 0.081 nan 8.240 nan 0.000 0.518 214 A N 0.538 123.397 122.820 0.065 0.000 1.858 214 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 214 A C 2.314 179.879 177.584 -0.032 0.000 1.190 214 A CA 2.223 54.282 52.037 0.036 0.000 0.617 214 A CB -1.406 17.711 19.000 0.195 0.000 0.827 214 A HN 0.926 nan 8.150 nan 0.000 0.443 215 Q N -0.012 119.875 119.800 0.144 0.000 2.152 215 Q HA -0.223 4.116 4.340 -0.000 0.000 0.206 215 Q C 1.809 177.870 176.000 0.102 0.000 0.985 215 Q CA 2.389 58.284 55.803 0.154 0.000 0.863 215 Q CB -0.345 28.543 28.738 0.249 0.000 0.904 215 Q HN 0.767 nan 8.270 nan 0.000 0.422 216 E N -0.839 119.437 120.200 0.125 0.000 2.047 216 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 216 E C 1.985 178.748 176.600 0.272 0.000 0.987 216 E CA 1.322 57.823 56.400 0.168 0.000 0.799 216 E CB -0.092 29.753 29.700 0.241 0.000 0.752 216 E HN 0.440 nan 8.360 nan 0.000 0.449 217 M N -0.062 119.683 119.600 0.242 0.000 2.065 217 M HA -0.200 4.280 4.480 -0.000 0.000 0.259 217 M C 2.214 178.612 176.300 0.162 0.000 1.071 217 M CA 1.451 56.891 55.300 0.234 0.000 1.109 217 M CB -0.442 32.045 32.600 -0.189 0.000 1.313 217 M HN 0.165 nan 8.290 nan 0.000 0.408 218 F N 1.279 121.063 119.950 -0.277 0.000 2.087 218 F HA -0.327 4.200 4.527 -0.000 0.000 0.299 218 F C 2.302 178.003 175.800 -0.165 0.000 1.100 218 F CA 2.120 59.877 58.000 -0.406 0.000 1.226 218 F CB -0.650 37.760 39.000 -0.984 0.000 0.983 218 F HN 0.171 nan 8.300 nan 0.000 0.479 219 Q N -1.081 118.554 119.800 -0.275 0.000 2.084 219 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 219 Q C 2.077 177.898 176.000 -0.299 0.000 0.978 219 Q CA 2.126 57.713 55.803 -0.360 0.000 0.844 219 Q CB -0.372 28.223 28.738 -0.238 0.000 0.898 219 Q HN 0.609 nan 8.270 nan 0.000 0.426 220 H N -0.560 118.462 119.070 -0.080 0.000 2.421 220 H HA -0.070 4.486 4.556 -0.000 0.000 0.298 220 H C 1.686 176.950 175.328 -0.106 0.000 1.087 220 H CA 1.402 57.403 56.048 -0.078 0.000 1.330 220 H CB 0.124 29.920 29.762 0.057 0.000 1.388 220 H HN 0.209 nan 8.280 nan 0.000 0.526 221 I N -0.752 119.862 120.570 0.073 0.000 2.439 221 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 221 I C 1.832 177.870 176.117 -0.131 0.000 1.139 221 I CA 0.458 61.760 61.300 0.003 0.000 1.438 221 I CB -0.062 37.954 38.000 0.027 0.000 1.085 221 I HN 0.390 nan 8.210 nan 0.000 0.427 222 C N 0.462 119.591 119.300 -0.285 0.000 2.457 222 C HA -0.087 4.373 4.460 -0.000 0.000 0.278 222 C C 2.941 177.815 174.990 -0.193 0.000 1.309 222 C CA 0.671 59.513 59.018 -0.293 0.000 1.735 222 C CB -0.958 26.492 27.740 -0.483 0.000 1.992 222 C HN 0.497 nan 8.230 nan 0.000 0.493 223 R N 0.628 120.989 120.500 -0.230 0.000 2.096 223 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 223 R C 1.976 178.111 176.300 -0.276 0.000 1.127 223 R CA 2.073 58.018 56.100 -0.259 0.000 0.968 223 R CB -0.936 29.149 30.300 -0.359 0.000 0.861 223 R HN 0.765 nan 8.270 nan 0.000 0.440 224 H N -0.329 118.505 119.070 -0.393 0.000 2.261 224 H HA -0.015 4.541 4.556 -0.000 0.000 0.301 224 H C 1.954 177.249 175.328 -0.056 0.000 1.067 224 H CA 2.157 58.023 56.048 -0.303 0.000 1.297 224 H CB -0.083 29.556 29.762 -0.206 0.000 1.377 224 H HN 0.179 nan 8.280 nan 0.000 0.492 225 I N 0.376 121.021 120.570 0.126 0.000 2.185 225 I HA -0.300 3.870 4.170 -0.000 0.000 0.246 225 I C 2.458 178.624 176.117 0.081 0.000 1.088 225 I CA 0.995 62.333 61.300 0.063 0.000 1.347 225 I CB -0.254 37.726 38.000 -0.034 0.000 1.041 225 I HN 0.360 nan 8.210 nan 0.000 0.415 226 L N 0.102 121.352 121.223 0.045 0.000 2.056 226 L HA -0.241 4.099 4.340 -0.000 0.000 0.207 226 L C 2.456 179.375 176.870 0.082 0.000 1.078 226 L CA 1.827 56.689 54.840 0.036 0.000 0.749 226 L CB -0.951 41.106 42.059 -0.003 0.000 0.901 226 L HN 0.284 nan 8.230 nan 0.000 0.433 227 Y N -0.020 120.292 120.300 0.021 0.000 2.200 227 Y HA -0.095 4.455 4.550 -0.000 0.000 0.290 227 Y C 2.311 178.285 175.900 0.123 0.000 1.137 227 Y CA 1.798 59.951 58.100 0.088 0.000 1.163 227 Y CB -0.451 38.118 38.460 0.181 0.000 0.988 227 Y HN 0.199 nan 8.280 nan 0.000 0.518 228 A N -0.516 122.446 122.820 0.236 0.000 1.898 228 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 228 A C 2.193 179.812 177.584 0.058 0.000 1.181 228 A CA 2.073 54.214 52.037 0.174 0.000 0.620 228 A CB -1.291 17.926 19.000 0.362 0.000 0.819 228 A HN 0.505 nan 8.150 nan 0.000 0.442 229 T N -0.107 114.485 114.554 0.062 0.000 2.708 229 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 229 T C 1.140 175.837 174.700 -0.004 0.000 1.037 229 T CA 1.457 63.584 62.100 0.045 0.000 1.146 229 T CB -0.442 68.450 68.868 0.039 0.000 0.865 229 T HN 0.651 nan 8.240 nan 0.000 0.435 230 N N 1.675 120.344 118.700 -0.051 0.000 2.716 230 N HA -0.270 4.470 4.740 -0.000 0.000 0.250 230 N C 0.076 175.558 175.510 -0.046 0.000 1.033 230 N CA 0.960 53.959 53.050 -0.085 0.000 0.727 230 N CB -2.164 36.226 38.487 -0.162 0.000 0.950 230 N HN 0.655 nan 8.380 nan 0.000 0.541 231 N N -1.893 116.791 118.700 -0.025 0.000 2.747 231 N HA -0.244 4.496 4.740 -0.000 0.000 0.249 231 N C 0.905 176.401 175.510 -0.023 0.000 1.107 231 N CA 1.243 54.280 53.050 -0.021 0.000 0.707 231 N CB -1.234 37.239 38.487 -0.024 0.000 1.054 231 N HN 1.091 nan 8.380 nan 0.000 0.555 232 G N -0.025 108.768 108.800 -0.013 0.000 2.349 232 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.213 232 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.213 232 G C -0.115 174.784 174.900 -0.001 0.000 1.044 232 G CA 0.196 45.290 45.100 -0.011 0.000 0.633 232 G HN 0.493 nan 8.290 nan 0.000 0.506 233 N N 2.329 121.016 118.700 -0.021 0.000 2.663 233 N HA 0.282 5.022 4.740 -0.000 0.000 0.250 233 N C 0.670 176.174 175.510 -0.009 0.000 1.129 233 N CA -0.320 52.709 53.050 -0.035 0.000 0.995 233 N CB -0.295 38.160 38.487 -0.052 0.000 1.324 233 N HN 0.333 nan 8.380 nan 0.000 0.512 234 I N 2.659 123.261 120.570 0.053 0.000 2.683 234 I HA -0.014 4.156 4.170 -0.000 0.000 0.286 234 I C 0.970 177.224 176.117 0.228 0.000 1.175 234 I CA 0.518 61.914 61.300 0.161 0.000 1.429 234 I CB -0.131 38.056 38.000 0.312 0.000 1.371 234 I HN 0.241 nan 8.210 nan 0.000 0.569 235 R N 3.803 124.404 120.500 0.170 0.000 2.599 235 R HA 0.429 4.769 4.340 -0.000 0.000 0.295 235 R C -0.457 175.998 176.300 0.259 0.000 0.963 235 R CA -0.683 55.533 56.100 0.194 0.000 0.883 235 R CB 2.015 32.269 30.300 -0.078 0.000 1.171 235 R HN 0.542 nan 8.270 nan 0.000 0.450 236 S N 1.253 117.099 115.700 0.243 0.000 2.548 236 S HA 0.600 5.070 4.470 -0.000 0.000 0.277 236 S C -0.405 174.269 174.600 0.123 0.000 1.315 236 S CA -0.334 57.920 58.200 0.090 0.000 1.050 236 S CB 1.424 64.596 63.200 -0.046 0.000 0.918 236 S HN 0.708 nan 8.310 nan 0.000 0.497 237 A N 2.610 125.472 122.820 0.070 0.000 2.599 237 A HA 0.860 5.180 4.320 -0.000 0.000 0.290 237 A C -1.418 176.158 177.584 -0.014 0.000 1.101 237 A CA -0.658 51.361 52.037 -0.030 0.000 0.674 237 A CB 1.113 20.109 19.000 -0.007 0.000 1.277 237 A HN 0.792 nan 8.150 nan 0.000 0.419 238 I N -0.186 120.335 120.570 -0.081 0.000 2.827 238 I HA 0.635 4.805 4.170 -0.000 0.000 0.298 238 I C -1.374 174.782 176.117 0.066 0.000 1.235 238 I CA -0.195 61.170 61.300 0.109 0.000 1.021 238 I CB 2.496 40.528 38.000 0.053 0.000 1.259 238 I HN 0.598 nan 8.210 nan 0.000 0.427 239 T N 5.840 120.475 114.554 0.135 0.000 2.833 239 T HA 0.404 4.754 4.350 -0.000 0.000 0.297 239 T C -0.724 173.795 174.700 -0.301 0.000 1.015 239 T CA -0.326 61.726 62.100 -0.079 0.000 0.963 239 T CB 1.311 70.128 68.868 -0.085 0.000 0.955 239 T HN 0.249 nan 8.240 nan 0.000 0.449 240 V N 5.121 124.835 119.914 -0.333 0.000 2.406 240 V HA 0.457 4.577 4.120 -0.000 0.000 0.272 240 V C -0.263 175.599 176.094 -0.387 0.000 1.043 240 V CA -0.553 61.570 62.300 -0.294 0.000 0.915 240 V CB -0.080 31.543 31.823 -0.333 0.000 0.988 240 V HN 0.685 nan 8.190 nan 0.000 0.466 241 F N 5.139 125.065 119.950 -0.039 0.000 2.410 241 F HA 0.520 5.047 4.527 -0.000 0.000 0.324 241 F C -1.871 173.827 175.800 -0.171 0.000 1.093 241 F CA -2.553 55.341 58.000 -0.177 0.000 1.028 241 F CB 0.355 39.270 39.000 -0.142 0.000 1.309 241 F HN 0.302 nan 8.300 nan 0.000 0.499 242 P HA -0.043 nan 4.420 nan 0.000 0.260 242 P C -1.079 176.136 177.300 -0.142 0.000 1.172 242 P CA 0.059 62.963 63.100 -0.327 0.000 0.760 242 P CB 0.053 31.293 31.700 -0.768 0.000 0.773 243 Q N 3.414 123.097 119.800 -0.195 0.000 2.432 243 Q HA 0.089 4.429 4.340 -0.000 0.000 0.264 243 Q C 0.279 176.119 176.000 -0.268 0.000 1.035 243 Q CA -0.516 54.938 55.803 -0.583 0.000 0.908 243 Q CB 0.813 28.958 28.738 -0.988 0.000 1.280 243 Q HN 0.353 nan 8.270 nan 0.000 0.455 244 R N 0.830 121.186 120.500 -0.240 0.000 2.784 244 R HA 0.007 4.347 4.340 -0.000 0.000 0.266 244 R C -0.036 176.223 176.300 -0.069 0.000 1.044 244 R CA 0.844 56.903 56.100 -0.068 0.000 1.151 244 R CB 0.542 30.808 30.300 -0.057 0.000 1.037 244 R HN 1.003 nan 8.270 nan 0.000 0.478 245 S N 0.713 116.423 115.700 0.017 0.000 3.600 245 S HA -0.011 4.459 4.470 -0.000 0.000 0.179 245 S C 0.665 175.291 174.600 0.043 0.000 0.816 245 S CA 0.040 58.257 58.200 0.028 0.000 0.916 245 S CB -0.124 63.118 63.200 0.070 0.000 1.164 245 S HN 0.815 nan 8.310 nan 0.000 0.709 246 D N 0.944 121.397 120.400 0.088 0.000 2.340 246 D HA 0.270 4.910 4.640 -0.000 0.000 0.217 246 D C 1.393 177.705 176.300 0.021 0.000 1.081 246 D CA 0.743 54.780 54.000 0.062 0.000 0.842 246 D CB -0.150 40.712 40.800 0.102 0.000 0.934 246 D HN 0.944 nan 8.370 nan 0.000 0.511 247 G N 1.368 110.181 108.800 0.022 0.000 2.189 247 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.267 247 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.267 247 G C 0.938 175.810 174.900 -0.047 0.000 0.975 247 G CA 0.584 45.679 45.100 -0.008 0.000 0.644 247 G HN 0.479 nan 8.290 nan 0.000 0.537 248 K N -0.244 120.095 120.400 -0.103 0.000 2.358 248 K HA 0.209 4.529 4.320 -0.000 0.000 0.200 248 K C 0.419 176.712 176.600 -0.512 0.000 1.030 248 K CA -0.096 56.023 56.287 -0.281 0.000 1.097 248 K CB 0.428 32.724 32.500 -0.340 0.000 0.862 248 K HN 0.517 nan 8.250 nan 0.000 0.534 249 H N 0.757 119.840 119.070 0.022 0.000 2.637 249 H HA 0.158 4.714 4.556 -0.000 0.000 0.245 249 H C -0.690 174.677 175.328 0.065 0.000 1.190 249 H CA -0.557 55.506 56.048 0.025 0.000 0.934 249 H CB 0.440 30.236 29.762 0.058 0.000 1.950 249 H HN 0.065 nan 8.280 nan 0.000 0.614 250 D N 0.854 121.321 120.400 0.113 0.000 2.488 250 D HA -0.025 4.615 4.640 -0.000 0.000 0.238 250 D C 0.116 176.493 176.300 0.129 0.000 1.138 250 D CA 0.735 54.828 54.000 0.155 0.000 0.873 250 D CB 0.732 41.586 40.800 0.090 0.000 1.183 250 D HN 0.032 nan 8.370 nan 0.000 0.458 251 F N 2.690 122.672 119.950 0.052 0.000 2.404 251 F HA 0.351 4.878 4.527 -0.000 0.000 0.345 251 F C 0.956 176.772 175.800 0.027 0.000 1.110 251 F CA -0.243 57.761 58.000 0.008 0.000 1.130 251 F CB 0.878 39.869 39.000 -0.014 0.000 1.129 251 F HN -0.088 nan 8.300 nan 0.000 0.500 252 R N 3.469 124.042 120.500 0.121 0.000 2.668 252 R HA 0.520 4.860 4.340 -0.000 0.000 0.272 252 R C -1.871 174.544 176.300 0.192 0.000 1.019 252 R CA -1.105 55.104 56.100 0.182 0.000 0.894 252 R CB 2.049 32.501 30.300 0.253 0.000 1.228 252 R HN 0.486 nan 8.270 nan 0.000 0.460 253 L N 1.527 122.868 121.223 0.198 0.000 2.287 253 L HA 0.386 4.726 4.340 -0.000 0.000 0.287 253 L C 0.520 177.600 176.870 0.351 0.000 1.022 253 L CA -0.169 54.784 54.840 0.189 0.000 0.814 253 L CB 0.956 43.063 42.059 0.081 0.000 1.217 253 L HN 0.570 nan 8.230 nan 0.000 0.420 254 W N 0.788 122.142 121.300 0.089 0.000 2.800 254 W HA 0.058 4.718 4.660 -0.000 0.000 0.249 254 W C 0.637 177.202 176.519 0.077 0.000 1.294 254 W CA -0.529 56.958 57.345 0.236 0.000 1.402 254 W CB -0.949 28.786 29.460 0.458 0.000 1.126 254 W HN 0.489 nan 8.180 nan 0.000 0.652 255 N N -0.441 118.292 118.700 0.055 0.000 2.424 255 N HA 0.062 4.802 4.740 -0.000 0.000 0.257 255 N C 1.356 176.691 175.510 -0.292 0.000 1.250 255 N CA 0.757 53.540 53.050 -0.445 0.000 0.946 255 N CB 0.684 39.031 38.487 -0.233 0.000 1.175 255 N HN -0.157 nan 8.380 nan 0.000 0.477 256 S N -0.615 114.874 115.700 -0.351 0.000 2.456 256 S HA 0.106 4.576 4.470 -0.000 0.000 0.224 256 S C 0.182 174.682 174.600 -0.166 0.000 1.035 256 S CA 0.291 58.381 58.200 -0.184 0.000 0.940 256 S CB 0.110 63.231 63.200 -0.130 0.000 0.799 256 S HN 0.618 nan 8.310 nan 0.000 0.508 257 Q N -0.528 119.152 119.800 -0.200 0.000 2.379 257 Q HA 0.480 4.820 4.340 -0.000 0.000 0.278 257 Q C -0.379 175.480 176.000 -0.236 0.000 1.068 257 Q CA -0.803 54.879 55.803 -0.203 0.000 0.816 257 Q CB 1.756 30.413 28.738 -0.136 0.000 1.387 257 Q HN -0.024 nan 8.270 nan 0.000 0.413 258 L N 0.910 121.985 121.223 -0.247 0.000 1.944 258 L HA -0.101 4.238 4.340 -0.000 0.000 0.218 258 L C 0.551 177.258 176.870 -0.272 0.000 1.075 258 L CA 1.953 56.656 54.840 -0.230 0.000 0.767 258 L CB -0.291 41.616 42.059 -0.255 0.000 0.890 258 L HN 0.592 nan 8.230 nan 0.000 0.434 259 I N -0.985 119.353 120.570 -0.387 0.000 2.353 259 I HA 0.387 4.557 4.170 -0.000 0.000 0.293 259 I C 0.237 175.727 176.117 -1.045 0.000 0.992 259 I CA 0.239 61.167 61.300 -0.620 0.000 1.268 259 I CB 1.182 38.784 38.000 -0.663 0.000 1.387 259 I HN 0.150 nan 8.210 nan 0.000 0.478 260 R N 4.073 124.038 120.500 -0.891 0.000 2.664 260 R HA 0.437 4.777 4.340 -0.000 0.000 0.266 260 R C -1.838 174.188 176.300 -0.456 0.000 1.046 260 R CA -0.755 54.876 56.100 -0.782 0.000 0.885 260 R CB 1.100 31.214 30.300 -0.310 0.000 1.254 260 R HN 0.314 nan 8.270 nan 0.000 0.465 261 Y N 1.083 121.377 120.300 -0.010 0.000 2.299 261 Y HA 0.495 5.045 4.550 -0.000 0.000 0.326 261 Y C 0.807 176.732 175.900 0.043 0.000 1.164 261 Y CA -0.211 57.943 58.100 0.091 0.000 1.234 261 Y CB 1.452 40.075 38.460 0.272 0.000 1.219 261 Y HN 0.693 nan 8.280 nan 0.000 0.497 262 A N 1.776 124.690 122.820 0.156 0.000 2.386 262 A HA 0.615 4.935 4.320 -0.000 0.000 0.248 262 A C 0.535 177.955 177.584 -0.274 0.000 1.082 262 A CA 0.217 52.179 52.037 -0.126 0.000 0.789 262 A CB -0.136 18.754 19.000 -0.185 0.000 1.025 262 A HN 0.921 nan 8.150 nan 0.000 0.490 263 G N 0.250 108.815 108.800 -0.391 0.000 2.626 263 G HA2 0.576 4.536 3.960 -0.000 0.000 0.304 263 G HA3 0.576 4.536 3.960 -0.000 0.000 0.304 263 G C -1.252 173.422 174.900 -0.376 0.000 1.385 263 G CA -0.270 44.644 45.100 -0.309 0.000 0.957 263 G HN 0.522 nan 8.290 nan 0.000 0.504 264 Y N 0.202 120.529 120.300 0.044 0.000 2.429 264 Y HA 0.510 5.060 4.550 -0.000 0.000 0.342 264 Y C 0.419 176.365 175.900 0.076 0.000 1.004 264 Y CA -1.008 57.136 58.100 0.073 0.000 1.075 264 Y CB 2.565 41.102 38.460 0.128 0.000 1.214 264 Y HN 0.483 nan 8.280 nan 0.000 0.455 265 Q N 4.082 124.028 119.800 0.243 0.000 2.509 265 Q HA 0.344 4.684 4.340 -0.000 0.000 0.236 265 Q C -0.780 175.309 176.000 0.147 0.000 1.073 265 Q CA -0.781 55.111 55.803 0.148 0.000 0.867 265 Q CB 0.441 29.238 28.738 0.098 0.000 1.181 265 Q HN 0.598 nan 8.270 nan 0.000 0.526 266 M N 3.848 123.525 119.600 0.128 0.000 2.231 266 M HA 0.002 4.482 4.480 -0.000 0.000 0.299 266 M C -1.406 174.907 176.300 0.022 0.000 1.076 266 M CA -1.318 54.019 55.300 0.062 0.000 1.152 266 M CB -0.497 32.121 32.600 0.029 0.000 1.414 266 M HN 0.469 nan 8.290 nan 0.000 0.439 267 P HA -0.137 nan 4.420 nan 0.000 0.216 267 P C 0.073 177.364 177.300 -0.016 0.000 1.153 267 P CA 1.325 64.410 63.100 -0.024 0.000 0.848 267 P CB -0.284 31.383 31.700 -0.056 0.000 0.787 268 D N 0.044 120.431 120.400 -0.022 0.000 2.941 268 D HA 0.062 4.702 4.640 -0.000 0.000 0.236 268 D C 1.475 177.775 176.300 -0.001 0.000 1.147 268 D CA 0.542 54.533 54.000 -0.015 0.000 0.975 268 D CB -1.092 39.695 40.800 -0.022 0.000 1.162 268 D HN 0.239 nan 8.370 nan 0.000 0.444 269 G N 1.895 110.698 108.800 0.006 0.000 3.209 269 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.228 269 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.228 269 G C 0.853 175.765 174.900 0.021 0.000 1.262 269 G CA 1.502 46.610 45.100 0.014 0.000 1.033 269 G HN 0.776 nan 8.290 nan 0.000 0.574 270 T N -0.105 114.460 114.554 0.018 0.000 2.934 270 T HA 0.391 4.741 4.350 -0.000 0.000 0.321 270 T C 0.493 175.215 174.700 0.037 0.000 1.080 270 T CA 0.292 62.405 62.100 0.021 0.000 1.132 270 T CB 1.025 69.902 68.868 0.015 0.000 1.039 270 T HN 0.629 nan 8.240 nan 0.000 0.543 271 I N 2.216 122.804 120.570 0.030 0.000 2.339 271 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 271 I C 0.602 176.734 176.117 0.025 0.000 0.994 271 I CA -0.843 60.480 61.300 0.038 0.000 1.191 271 I CB 1.528 39.537 38.000 0.014 0.000 1.343 271 I HN 0.647 nan 8.210 nan 0.000 0.458 272 R N 4.209 124.757 120.500 0.080 0.000 2.604 272 R HA 0.702 5.042 4.340 -0.000 0.000 0.287 272 R C 0.373 176.696 176.300 0.037 0.000 0.970 272 R CA 0.484 56.630 56.100 0.077 0.000 0.946 272 R CB 1.572 31.979 30.300 0.177 0.000 1.127 272 R HN 0.853 nan 8.270 nan 0.000 0.473 273 G N 2.390 111.128 108.800 -0.103 0.000 2.553 273 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.242 273 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.242 273 G C -1.057 173.552 174.900 -0.484 0.000 1.277 273 G CA 0.090 45.063 45.100 -0.213 0.000 0.910 273 G HN 0.673 nan 8.290 nan 0.000 0.576 274 D N 1.611 121.869 120.400 -0.236 0.000 2.422 274 D HA 0.588 5.228 4.640 -0.000 0.000 0.227 274 D C 1.553 177.819 176.300 -0.058 0.000 1.190 274 D CA 0.882 54.792 54.000 -0.151 0.000 0.905 274 D CB 0.575 41.611 40.800 0.392 0.000 1.034 274 D HN 0.981 nan 8.370 nan 0.000 0.507 275 A N 3.990 126.747 122.820 -0.105 0.000 2.042 275 A HA -0.180 4.140 4.320 -0.000 0.000 0.222 275 A C 2.121 179.720 177.584 0.025 0.000 1.167 275 A CA 1.935 53.954 52.037 -0.031 0.000 0.649 275 A CB -0.418 18.565 19.000 -0.028 0.000 0.809 275 A HN 0.636 nan 8.150 nan 0.000 0.457 276 A N -0.481 122.379 122.820 0.067 0.000 2.019 276 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 276 A C 2.101 179.739 177.584 0.089 0.000 1.164 276 A CA 2.084 54.177 52.037 0.093 0.000 0.644 276 A CB -1.006 18.076 19.000 0.137 0.000 0.805 276 A HN 0.879 nan 8.150 nan 0.000 0.449 277 T N -2.674 111.930 114.554 0.082 0.000 3.244 277 T HA 0.413 4.763 4.350 -0.000 0.000 0.254 277 T C 1.329 176.050 174.700 0.035 0.000 1.024 277 T CA 0.007 62.154 62.100 0.078 0.000 0.920 277 T CB -0.324 68.597 68.868 0.087 0.000 1.042 277 T HN 0.258 nan 8.240 nan 0.000 0.572 278 L N 0.780 122.013 121.223 0.016 0.000 1.971 278 L HA -0.129 4.211 4.340 -0.000 0.000 0.215 278 L C 2.976 179.835 176.870 -0.018 0.000 1.072 278 L CA 2.186 57.021 54.840 -0.008 0.000 0.758 278 L CB -0.469 41.599 42.059 0.015 0.000 0.889 278 L HN 0.434 nan 8.230 nan 0.000 0.433 279 E N -0.373 119.826 120.200 -0.000 0.000 2.110 279 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 279 E C 2.151 178.649 176.600 -0.169 0.000 0.988 279 E CA 1.377 57.744 56.400 -0.055 0.000 0.804 279 E CB -0.092 29.609 29.700 0.003 0.000 0.745 279 E HN 0.381 nan 8.360 nan 0.000 0.458 280 F N 1.219 120.994 119.950 -0.292 0.000 2.163 280 F HA -0.091 4.436 4.527 -0.000 0.000 0.297 280 F C 2.313 177.942 175.800 -0.285 0.000 1.094 280 F CA 1.733 59.493 58.000 -0.399 0.000 1.290 280 F CB -0.597 38.241 39.000 -0.270 0.000 1.017 280 F HN -0.061 nan 8.300 nan 0.000 0.483 281 T N 0.160 114.603 114.554 -0.184 0.000 2.737 281 T HA -0.301 4.049 4.350 -0.000 0.000 0.269 281 T C 1.730 176.302 174.700 -0.214 0.000 1.040 281 T CA 1.776 63.715 62.100 -0.268 0.000 1.142 281 T CB -0.346 68.388 68.868 -0.224 0.000 0.861 281 T HN 0.262 nan 8.240 nan 0.000 0.456 282 Q N 0.883 120.579 119.800 -0.173 0.000 1.993 282 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 282 Q C 2.184 178.072 176.000 -0.187 0.000 0.984 282 Q CA 1.420 57.155 55.803 -0.114 0.000 0.837 282 Q CB -0.947 27.736 28.738 -0.092 0.000 0.902 282 Q HN 0.471 nan 8.270 nan 0.000 0.423 283 L N -0.124 120.904 121.223 -0.325 0.000 2.034 283 L HA -0.293 4.047 4.340 -0.000 0.000 0.217 283 L C 2.324 179.006 176.870 -0.313 0.000 1.077 283 L CA 2.236 56.877 54.840 -0.332 0.000 0.769 283 L CB -0.832 40.920 42.059 -0.510 0.000 0.890 283 L HN 0.448 nan 8.230 nan 0.000 0.435 284 C N -0.545 118.451 119.300 -0.506 0.000 2.413 284 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 284 C C 2.688 177.663 174.990 -0.024 0.000 1.248 284 C CA 1.091 59.878 59.018 -0.386 0.000 1.742 284 C CB -0.968 26.372 27.740 -0.666 0.000 2.017 284 C HN 0.610 nan 8.230 nan 0.000 0.481 285 I N 0.721 121.321 120.570 0.051 0.000 2.315 285 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 285 I C 1.759 177.886 176.117 0.017 0.000 1.117 285 I CA 1.442 62.811 61.300 0.116 0.000 1.404 285 I CB -0.492 37.575 38.000 0.112 0.000 1.071 285 I HN 0.338 nan 8.210 nan 0.000 0.419 286 D N 0.672 121.048 120.400 -0.040 0.000 2.392 286 D HA -0.021 4.619 4.640 -0.000 0.000 0.228 286 D C 1.268 177.521 176.300 -0.078 0.000 1.003 286 D CA 0.930 54.890 54.000 -0.066 0.000 0.917 286 D CB 0.136 40.882 40.800 -0.090 0.000 0.890 286 D HN 0.355 nan 8.370 nan 0.000 0.532 287 L N -0.936 120.255 121.223 -0.054 0.000 3.110 287 L HA 0.310 4.650 4.340 -0.000 0.000 0.266 287 L C 1.232 178.087 176.870 -0.025 0.000 1.257 287 L CA -0.168 54.641 54.840 -0.052 0.000 1.038 287 L CB 0.519 42.545 42.059 -0.056 0.000 1.395 287 L HN -0.001 nan 8.230 nan 0.000 0.566 288 G N -0.513 108.282 108.800 -0.008 0.000 2.176 288 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.253 288 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.253 288 G C -0.125 174.802 174.900 0.046 0.000 0.979 288 G CA -0.115 44.982 45.100 -0.005 0.000 0.641 288 G HN 0.433 nan 8.290 nan 0.000 0.530 289 W N 3.226 124.460 121.300 -0.110 0.000 2.304 289 W HA 0.628 5.288 4.660 -0.000 0.000 0.313 289 W C 0.287 176.762 176.519 -0.073 0.000 1.323 289 W CA -0.833 56.453 57.345 -0.098 0.000 1.223 289 W CB 0.660 30.051 29.460 -0.115 0.000 1.237 289 W HN -0.089 nan 8.180 nan 0.000 0.535 290 K N 8.880 128.904 120.400 -0.627 0.000 2.316 290 K HA 0.176 4.495 4.320 -0.000 0.000 0.289 290 K C -2.273 173.647 176.600 -1.132 0.000 1.070 290 K CA -1.630 54.281 56.287 -0.626 0.000 0.928 290 K CB 0.451 32.703 32.500 -0.414 0.000 1.039 290 K HN 0.344 nan 8.250 nan 0.000 0.480 291 P HA 0.257 nan 4.420 nan 0.000 0.281 291 P C -0.232 176.637 177.300 -0.717 0.000 1.252 291 P CA -0.388 62.166 63.100 -0.909 0.000 0.778 291 P CB 0.938 32.200 31.700 -0.730 0.000 0.895 292 R N 1.743 121.924 120.500 -0.532 0.000 2.334 292 R HA 0.157 4.496 4.340 -0.000 0.000 0.216 292 R C 0.113 176.269 176.300 -0.240 0.000 0.905 292 R CA -0.173 55.777 56.100 -0.250 0.000 1.064 292 R CB -1.025 29.226 30.300 -0.083 0.000 1.046 292 R HN 0.415 nan 8.270 nan 0.000 0.508 293 Y N -1.457 118.365 120.300 -0.796 0.000 3.721 293 Y HA -0.290 4.260 4.550 -0.000 0.000 0.218 293 Y C 1.104 176.807 175.900 -0.329 0.000 1.188 293 Y CA 0.620 58.048 58.100 -1.121 0.000 1.607 293 Y CB -1.923 36.135 38.460 -0.670 0.000 1.496 293 Y HN 0.257 nan 8.280 nan 0.000 0.626 294 G N -0.317 108.543 108.800 0.100 0.000 2.606 294 G HA2 0.521 4.481 3.960 -0.000 0.000 0.262 294 G HA3 0.521 4.481 3.960 -0.000 0.000 0.262 294 G C 0.787 175.792 174.900 0.176 0.000 1.394 294 G CA -0.504 44.685 45.100 0.148 0.000 1.044 294 G HN 0.276 nan 8.290 nan 0.000 0.553 295 R N -1.686 118.817 120.500 0.006 0.000 2.206 295 R HA 0.194 4.534 4.340 -0.000 0.000 0.198 295 R C 0.122 176.091 176.300 -0.553 0.000 0.986 295 R CA 0.514 56.448 56.100 -0.276 0.000 1.029 295 R CB 0.244 30.259 30.300 -0.475 0.000 0.966 295 R HN 0.345 nan 8.270 nan 0.000 0.487 296 F N 1.154 121.098 119.950 -0.009 0.000 2.818 296 F HA 0.259 4.786 4.527 -0.000 0.000 0.369 296 F C -0.635 175.179 175.800 0.022 0.000 1.327 296 F CA -1.240 56.530 58.000 -0.382 0.000 1.211 296 F CB 0.470 39.089 39.000 -0.635 0.000 1.036 296 F HN -0.277 nan 8.300 nan 0.000 0.510 297 D N 1.602 122.209 120.400 0.345 0.000 2.343 297 D HA 0.128 4.768 4.640 -0.000 0.000 0.255 297 D C 0.279 176.869 176.300 0.483 0.000 1.187 297 D CA 0.277 54.533 54.000 0.427 0.000 0.875 297 D CB 2.223 43.324 40.800 0.501 0.000 1.136 297 D HN -0.079 nan 8.370 nan 0.000 0.469 298 V N 4.059 124.222 119.914 0.414 0.000 2.521 298 V HA 0.026 4.146 4.120 -0.000 0.000 0.286 298 V C 1.012 177.175 176.094 0.115 0.000 1.034 298 V CA -0.386 62.045 62.300 0.218 0.000 1.045 298 V CB 0.541 32.430 31.823 0.110 0.000 0.974 298 V HN 0.339 nan 8.190 nan 0.000 0.480 299 L N 8.311 129.482 121.223 -0.087 0.000 2.452 299 L HA 0.299 4.639 4.340 -0.000 0.000 0.267 299 L C -1.652 175.029 176.870 -0.315 0.000 1.188 299 L CA -1.256 53.364 54.840 -0.367 0.000 0.821 299 L CB 0.776 42.698 42.059 -0.228 0.000 1.102 299 L HN 0.490 nan 8.230 nan 0.000 0.470 300 P HA 0.126 nan 4.420 nan 0.000 0.276 300 P C -1.020 176.227 177.300 -0.088 0.000 1.252 300 P CA -0.666 62.267 63.100 -0.279 0.000 0.802 300 P CB 1.073 32.498 31.700 -0.458 0.000 1.035 301 L N 1.482 122.725 121.223 0.033 0.000 2.290 301 L HA 0.200 4.540 4.340 -0.000 0.000 0.284 301 L C -0.013 176.931 176.870 0.123 0.000 1.078 301 L CA -0.153 54.750 54.840 0.105 0.000 0.815 301 L CB 0.819 42.977 42.059 0.165 0.000 1.162 301 L HN 0.093 nan 8.230 nan 0.000 0.435 302 V N 6.354 126.353 119.914 0.142 0.000 2.313 302 V HA 0.422 4.542 4.120 -0.000 0.000 0.278 302 V C -0.032 176.043 176.094 -0.032 0.000 1.017 302 V CA -0.558 61.770 62.300 0.046 0.000 0.823 302 V CB 1.134 33.033 31.823 0.126 0.000 1.010 302 V HN 0.476 nan 8.190 nan 0.000 0.443 303 L N 4.621 125.805 121.223 -0.066 0.000 2.329 303 L HA 0.646 4.986 4.340 -0.000 0.000 0.279 303 L C -0.189 176.524 176.870 -0.262 0.000 1.014 303 L CA -0.454 54.307 54.840 -0.131 0.000 0.814 303 L CB 1.896 43.897 42.059 -0.096 0.000 1.257 303 L HN 0.586 nan 8.230 nan 0.000 0.424 304 Q N 2.765 122.403 119.800 -0.271 0.000 2.381 304 Q HA 0.667 5.007 4.340 -0.000 0.000 0.263 304 Q C -1.355 174.431 176.000 -0.357 0.000 1.030 304 Q CA -0.568 55.056 55.803 -0.299 0.000 0.772 304 Q CB 1.918 30.556 28.738 -0.167 0.000 1.232 304 Q HN 0.792 nan 8.270 nan 0.000 0.476 305 A N 3.834 126.382 122.820 -0.453 0.000 2.304 305 A HA 0.414 4.734 4.320 -0.000 0.000 0.323 305 A C -0.260 176.756 177.584 -0.947 0.000 1.195 305 A CA -0.210 51.276 52.037 -0.918 0.000 0.826 305 A CB 0.835 19.560 19.000 -0.457 0.000 1.184 305 A HN 1.004 nan 8.150 nan 0.000 0.496 306 D N 1.676 121.063 120.400 -1.688 0.000 2.803 306 D HA -0.090 4.550 4.640 -0.000 0.000 0.233 306 D C 1.291 177.496 176.300 -0.158 0.000 1.182 306 D CA 2.382 56.061 54.000 -0.535 0.000 0.726 306 D CB -1.052 39.643 40.800 -0.175 0.000 0.987 306 D HN 2.011 nan 8.370 nan 0.000 0.412 307 G N 0.106 108.813 108.800 -0.156 0.000 2.216 307 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.269 307 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.269 307 G C 0.541 175.413 174.900 -0.045 0.000 0.981 307 G CA 1.202 46.265 45.100 -0.062 0.000 0.658 307 G HN 0.692 nan 8.290 nan 0.000 0.539 308 Q N 0.815 120.558 119.800 -0.094 0.000 2.584 308 Q HA 0.406 4.746 4.340 -0.000 0.000 0.218 308 Q C 0.624 176.581 176.000 -0.071 0.000 1.079 308 Q CA -0.017 55.747 55.803 -0.066 0.000 1.008 308 Q CB 0.313 28.996 28.738 -0.091 0.000 1.267 308 Q HN 0.370 nan 8.270 nan 0.000 0.586 309 D N 1.321 121.677 120.400 -0.072 0.000 2.368 309 D HA 0.143 4.783 4.640 -0.000 0.000 0.240 309 D C -2.133 173.936 176.300 -0.385 0.000 1.169 309 D CA -0.894 52.973 54.000 -0.222 0.000 0.906 309 D CB 0.139 40.929 40.800 -0.017 0.000 1.187 309 D HN 0.367 nan 8.370 nan 0.000 0.435 310 P HA 0.145 nan 4.420 nan 0.000 0.275 310 P C -0.742 176.348 177.300 -0.349 0.000 1.227 310 P CA -0.090 62.566 63.100 -0.741 0.000 0.781 310 P CB 1.112 31.915 31.700 -1.496 0.000 0.906 311 E N 0.911 120.975 120.200 -0.227 0.000 2.199 311 E HA 0.368 4.718 4.350 -0.000 0.000 0.269 311 E C -0.680 175.836 176.600 -0.140 0.000 0.899 311 E CA -1.125 55.187 56.400 -0.147 0.000 0.772 311 E CB 2.035 31.728 29.700 -0.011 0.000 1.155 311 E HN 0.181 nan 8.360 nan 0.000 0.408 312 V N 3.515 123.241 119.914 -0.313 0.000 2.567 312 V HA 0.383 4.503 4.120 -0.000 0.000 0.289 312 V C -0.639 175.114 176.094 -0.569 0.000 1.049 312 V CA -0.227 61.917 62.300 -0.260 0.000 0.969 312 V CB 0.324 32.035 31.823 -0.187 0.000 0.995 312 V HN 0.510 nan 8.190 nan 0.000 0.471 313 F N 1.432 121.227 119.950 -0.258 0.000 2.617 313 F HA 0.424 4.951 4.527 -0.000 0.000 0.325 313 F C -0.010 175.644 175.800 -0.244 0.000 1.179 313 F CA -0.801 56.932 58.000 -0.443 0.000 0.965 313 F CB 1.670 40.085 39.000 -0.974 0.000 1.232 313 F HN 0.409 nan 8.300 nan 0.000 0.461 314 E N 3.105 123.309 120.200 0.007 0.000 2.344 314 E HA 0.302 4.652 4.350 -0.000 0.000 0.270 314 E C -0.458 176.270 176.600 0.215 0.000 1.021 314 E CA 0.104 56.583 56.400 0.130 0.000 0.887 314 E CB 0.570 30.357 29.700 0.147 0.000 0.997 314 E HN 0.450 nan 8.360 nan 0.000 0.429 315 I N 7.152 127.856 120.570 0.223 0.000 2.452 315 I HA 0.127 4.297 4.170 -0.000 0.000 0.287 315 I C -1.827 174.413 176.117 0.205 0.000 1.079 315 I CA -1.987 59.472 61.300 0.265 0.000 1.387 315 I CB 0.719 38.801 38.000 0.136 0.000 1.404 315 I HN 0.417 nan 8.210 nan 0.000 0.522 316 P HA -0.023 nan 4.420 nan 0.000 0.255 316 P C -1.961 175.397 177.300 0.096 0.000 1.173 316 P CA -0.592 62.595 63.100 0.146 0.000 0.780 316 P CB 0.050 31.816 31.700 0.110 0.000 0.758 317 P HA -0.234 nan 4.420 nan 0.000 0.218 317 P C 0.882 178.217 177.300 0.058 0.000 1.152 317 P CA 1.463 64.611 63.100 0.080 0.000 0.857 317 P CB -0.033 31.717 31.700 0.083 0.000 0.787 318 D N -1.307 119.123 120.400 0.050 0.000 2.310 318 D HA -0.056 4.584 4.640 -0.000 0.000 0.212 318 D C 1.663 177.978 176.300 0.025 0.000 0.965 318 D CA 0.843 54.864 54.000 0.034 0.000 0.879 318 D CB -0.112 40.705 40.800 0.029 0.000 0.921 318 D HN 0.284 nan 8.370 nan 0.000 0.510 319 L N 0.310 121.548 121.223 0.025 0.000 2.529 319 L HA 0.068 4.408 4.340 -0.000 0.000 0.223 319 L C 0.455 177.332 176.870 0.012 0.000 1.113 319 L CA 0.130 54.977 54.840 0.011 0.000 0.861 319 L CB 0.571 42.628 42.059 -0.004 0.000 1.012 319 L HN -0.232 nan 8.230 nan 0.000 0.461 320 V N 2.102 122.029 119.914 0.021 0.000 2.334 320 V HA 0.186 4.306 4.120 -0.000 0.000 0.267 320 V C -0.099 176.016 176.094 0.034 0.000 1.040 320 V CA -0.472 61.839 62.300 0.018 0.000 0.866 320 V CB 1.466 33.298 31.823 0.015 0.000 1.019 320 V HN 0.026 nan 8.190 nan 0.000 0.468 321 L N 5.772 127.017 121.223 0.036 0.000 2.276 321 L HA 0.573 4.913 4.340 -0.000 0.000 0.286 321 L C -0.009 176.884 176.870 0.038 0.000 1.061 321 L CA 0.502 55.357 54.840 0.025 0.000 0.807 321 L CB 0.880 42.948 42.059 0.014 0.000 1.177 321 L HN 0.685 nan 8.230 nan 0.000 0.429 322 E N 3.342 123.550 120.200 0.012 0.000 2.288 322 E HA 0.556 4.906 4.350 -0.000 0.000 0.268 322 E C -1.449 175.099 176.600 -0.086 0.000 0.885 322 E CA -0.992 55.415 56.400 0.010 0.000 0.767 322 E CB 2.581 32.320 29.700 0.065 0.000 1.220 322 E HN 0.376 nan 8.360 nan 0.000 0.427 323 V N 2.201 122.029 119.914 -0.144 0.000 2.384 323 V HA 0.222 4.342 4.120 -0.000 0.000 0.287 323 V C -0.100 175.953 176.094 -0.068 0.000 1.020 323 V CA -0.760 61.404 62.300 -0.226 0.000 0.850 323 V CB 1.373 32.812 31.823 -0.640 0.000 0.987 323 V HN 0.799 nan 8.190 nan 0.000 0.436 324 T N 3.483 118.008 114.554 -0.048 0.000 2.814 324 T HA 0.478 4.827 4.350 -0.000 0.000 0.297 324 T C -0.142 174.593 174.700 0.059 0.000 0.956 324 T CA -0.623 61.474 62.100 -0.005 0.000 1.123 324 T CB 0.607 69.472 68.868 -0.004 0.000 0.902 324 T HN 0.318 nan 8.240 nan 0.000 0.528 325 M N 4.121 123.787 119.600 0.110 0.000 2.194 325 M HA 0.251 4.731 4.480 -0.000 0.000 0.347 325 M C 0.214 176.686 176.300 0.286 0.000 1.439 325 M CA -0.459 54.976 55.300 0.225 0.000 1.131 325 M CB -0.398 32.370 32.600 0.279 0.000 1.733 325 M HN 0.844 nan 8.290 nan 0.000 0.467 326 E N 2.443 122.827 120.200 0.307 0.000 2.308 326 E HA 0.340 4.690 4.350 -0.000 0.000 0.275 326 E C -1.273 175.479 176.600 0.253 0.000 0.890 326 E CA -0.954 55.645 56.400 0.331 0.000 0.754 326 E CB 1.274 31.107 29.700 0.222 0.000 1.207 326 E HN 0.570 nan 8.360 nan 0.000 0.426 327 H N 3.993 123.058 119.070 -0.009 0.000 2.525 327 H HA 0.205 4.761 4.556 -0.000 0.000 0.339 327 H C -1.672 173.493 175.328 -0.272 0.000 1.109 327 H CA -2.221 53.643 56.048 -0.307 0.000 1.352 327 H CB 1.779 31.197 29.762 -0.573 0.000 1.461 327 H HN 0.473 nan 8.280 nan 0.000 0.533 328 P HA -0.055 nan 4.420 nan 0.000 0.234 328 P C 0.322 177.621 177.300 -0.001 0.000 1.167 328 P CA 0.893 63.732 63.100 -0.435 0.000 0.763 328 P CB 0.777 31.987 31.700 -0.817 0.000 0.835 329 K N -1.746 118.828 120.400 0.291 0.000 2.556 329 K HA 0.129 4.449 4.320 -0.000 0.000 0.201 329 K C 0.273 176.721 176.600 -0.253 0.000 1.423 329 K CA 0.385 56.651 56.287 -0.035 0.000 1.010 329 K CB -0.026 32.428 32.500 -0.077 0.000 1.409 329 K HN 0.121 nan 8.250 nan 0.000 0.538 330 Y N 3.678 123.631 120.300 -0.580 0.000 2.691 330 Y HA 0.118 4.668 4.550 -0.000 0.000 0.338 330 Y C 1.388 176.942 175.900 -0.576 0.000 1.148 330 Y CA -0.651 56.990 58.100 -0.765 0.000 1.430 330 Y CB 0.117 37.710 38.460 -1.445 0.000 1.303 330 Y HN 0.202 nan 8.280 nan 0.000 0.499 331 E N 2.062 122.184 120.200 -0.130 0.000 2.472 331 E HA -0.139 4.211 4.350 -0.000 0.000 0.200 331 E C 1.026 177.671 176.600 0.075 0.000 1.046 331 E CA 0.794 57.196 56.400 0.003 0.000 0.871 331 E CB -0.243 29.487 29.700 0.051 0.000 0.806 331 E HN 0.840 nan 8.360 nan 0.000 0.533 332 W N -0.637 120.765 121.300 0.170 0.000 3.047 332 W HA 0.104 4.764 4.660 -0.000 0.000 0.250 332 W C 0.737 177.344 176.519 0.147 0.000 1.314 332 W CA -0.602 56.821 57.345 0.131 0.000 1.540 332 W CB -0.652 28.875 29.460 0.112 0.000 1.127 332 W HN -0.032 nan 8.180 nan 0.000 0.679 333 F N 2.837 122.563 119.950 -0.374 0.000 2.146 333 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 333 F C 2.614 178.399 175.800 -0.025 0.000 1.096 333 F CA 2.213 60.017 58.000 -0.327 0.000 1.275 333 F CB -0.499 38.253 39.000 -0.414 0.000 1.008 333 F HN -0.127 nan 8.300 nan 0.000 0.480 334 Q N -0.111 119.740 119.800 0.084 0.000 2.181 334 Q HA -0.243 4.097 4.340 -0.000 0.000 0.205 334 Q C 1.789 177.799 176.000 0.016 0.000 0.980 334 Q CA 1.834 57.670 55.803 0.056 0.000 0.862 334 Q CB -0.414 28.379 28.738 0.091 0.000 0.905 334 Q HN 0.541 nan 8.270 nan 0.000 0.429 335 E N 0.437 120.674 120.200 0.061 0.000 2.463 335 E HA -0.134 4.216 4.350 -0.000 0.000 0.201 335 E C 1.519 178.130 176.600 0.018 0.000 1.045 335 E CA 0.448 56.890 56.400 0.069 0.000 0.872 335 E CB -0.040 29.743 29.700 0.138 0.000 0.797 335 E HN 0.407 nan 8.360 nan 0.000 0.538 336 L N -0.410 120.765 121.223 -0.080 0.000 2.418 336 L HA 0.078 4.418 4.340 -0.000 0.000 0.218 336 L C 1.292 178.127 176.870 -0.058 0.000 1.125 336 L CA 0.302 55.065 54.840 -0.128 0.000 0.835 336 L CB -0.281 41.552 42.059 -0.377 0.000 0.953 336 L HN 0.174 nan 8.230 nan 0.000 0.454 337 G N 1.594 110.372 108.800 -0.037 0.000 2.359 337 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.298 337 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.298 337 G C -0.254 174.707 174.900 0.102 0.000 1.030 337 G CA -0.002 45.123 45.100 0.043 0.000 1.149 337 G HN 0.207 nan 8.290 nan 0.000 0.512 338 L N -0.398 120.809 121.223 -0.026 0.000 2.334 338 L HA 0.898 5.238 4.340 -0.000 0.000 0.272 338 L C 0.507 177.277 176.870 -0.168 0.000 1.020 338 L CA -0.899 53.897 54.840 -0.073 0.000 0.812 338 L CB 2.096 43.972 42.059 -0.305 0.000 1.264 338 L HN 0.598 nan 8.230 nan 0.000 0.439 339 K N 0.455 120.620 120.400 -0.392 0.000 2.615 339 K HA 0.497 4.817 4.320 -0.000 0.000 0.291 339 K C -2.113 174.473 176.600 -0.023 0.000 1.017 339 K CA -1.065 55.091 56.287 -0.219 0.000 0.882 339 K CB 2.204 34.496 32.500 -0.347 0.000 1.522 339 K HN 0.579 nan 8.250 nan 0.000 0.412 340 W N 1.795 123.049 121.300 -0.078 0.000 3.146 340 W HA 0.333 4.993 4.660 -0.000 0.000 0.319 340 W C -1.342 175.199 176.519 0.036 0.000 1.258 340 W CA -0.800 56.542 57.345 -0.004 0.000 1.189 340 W CB 1.579 30.921 29.460 -0.197 0.000 1.412 340 W HN 0.685 nan 8.180 nan 0.000 0.567 341 Y N 1.205 121.372 120.300 -0.221 0.000 2.336 341 Y HA 0.501 5.051 4.550 -0.000 0.000 0.331 341 Y C 0.855 176.937 175.900 0.303 0.000 1.211 341 Y CA 0.119 58.183 58.100 -0.060 0.000 1.346 341 Y CB 0.143 38.437 38.460 -0.277 0.000 1.271 341 Y HN 0.349 nan 8.280 nan 0.000 0.538 342 A N 2.624 125.661 122.820 0.360 0.000 2.016 342 A HA 0.045 4.364 4.320 -0.000 0.000 0.217 342 A C 0.665 178.563 177.584 0.523 0.000 1.162 342 A CA 0.231 52.544 52.037 0.461 0.000 0.662 342 A CB -0.309 18.796 19.000 0.176 0.000 0.812 342 A HN 0.683 nan 8.150 nan 0.000 0.450 343 L N 2.306 123.754 121.223 0.376 0.000 2.268 343 L HA 0.355 4.695 4.340 -0.000 0.000 0.289 343 L C -2.452 174.492 176.870 0.123 0.000 1.064 343 L CA -2.084 52.879 54.840 0.204 0.000 0.824 343 L CB 1.149 43.273 42.059 0.107 0.000 1.202 343 L HN 0.010 nan 8.230 nan 0.000 0.433 344 P HA 0.341 nan 4.420 nan 0.000 0.291 344 P C -1.460 175.714 177.300 -0.209 0.000 1.378 344 P CA -0.355 62.535 63.100 -0.348 0.000 0.853 344 P CB 1.345 32.418 31.700 -1.046 0.000 1.002 345 A N 4.496 127.211 122.820 -0.175 0.000 2.375 345 A HA 0.447 4.767 4.320 -0.000 0.000 0.291 345 A C -0.212 177.144 177.584 -0.379 0.000 1.160 345 A CA -0.687 51.185 52.037 -0.276 0.000 0.747 345 A CB 1.047 19.884 19.000 -0.271 0.000 1.170 345 A HN 0.295 nan 8.150 nan 0.000 0.458 346 V N 2.012 121.550 119.914 -0.626 0.000 2.572 346 V HA 0.347 4.467 4.120 -0.000 0.000 0.291 346 V C 1.240 176.931 176.094 -0.672 0.000 1.039 346 V CA 1.090 62.974 62.300 -0.693 0.000 1.055 346 V CB 1.153 32.340 31.823 -1.061 0.000 0.969 346 V HN 1.125 nan 8.190 nan 0.000 0.482 347 A N 3.921 126.516 122.820 -0.375 0.000 2.419 347 A HA 0.193 4.513 4.320 -0.000 0.000 0.233 347 A C 1.123 178.633 177.584 -0.123 0.000 1.217 347 A CA 0.295 52.187 52.037 -0.241 0.000 0.944 347 A CB -0.042 18.852 19.000 -0.176 0.000 1.025 347 A HN 0.849 nan 8.150 nan 0.000 0.524 348 N N -0.856 117.778 118.700 -0.110 0.000 2.235 348 N HA 0.265 5.005 4.740 -0.000 0.000 0.231 348 N C -0.060 175.477 175.510 0.046 0.000 1.177 348 N CA -0.155 52.883 53.050 -0.020 0.000 0.874 348 N CB -0.287 38.180 38.487 -0.034 0.000 1.097 348 N HN 0.318 nan 8.380 nan 0.000 0.518 349 M N 0.386 120.019 119.600 0.055 0.000 2.368 349 M HA 0.347 4.827 4.480 -0.000 0.000 0.311 349 M C -0.450 175.987 176.300 0.228 0.000 1.168 349 M CA -0.855 54.539 55.300 0.157 0.000 1.044 349 M CB 1.815 34.521 32.600 0.177 0.000 1.506 349 M HN 0.093 nan 8.290 nan 0.000 0.475 350 L N 2.346 123.734 121.223 0.276 0.000 2.322 350 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 350 L C -1.415 175.678 176.870 0.371 0.000 1.014 350 L CA -0.959 54.063 54.840 0.303 0.000 0.815 350 L CB 1.353 43.556 42.059 0.240 0.000 1.247 350 L HN 0.561 nan 8.230 nan 0.000 0.421 351 L N 5.234 126.673 121.223 0.360 0.000 2.257 351 L HA 0.452 4.792 4.340 -0.000 0.000 0.290 351 L C -0.429 176.603 176.870 0.268 0.000 1.044 351 L CA 0.322 55.303 54.840 0.234 0.000 0.810 351 L CB 1.025 43.188 42.059 0.173 0.000 1.193 351 L HN 0.604 nan 8.230 nan 0.000 0.425 352 E N 4.816 125.129 120.200 0.190 0.000 2.166 352 E HA 0.491 4.841 4.350 -0.000 0.000 0.275 352 E C -1.862 174.765 176.600 0.045 0.000 0.941 352 E CA -0.416 56.092 56.400 0.180 0.000 0.784 352 E CB 1.949 31.828 29.700 0.299 0.000 1.115 352 E HN 0.499 nan 8.360 nan 0.000 0.399 353 V N 3.285 123.199 119.914 0.000 0.000 2.711 353 V HA 0.487 4.607 4.120 -0.000 0.000 0.304 353 V C 0.292 176.268 176.094 -0.197 0.000 1.097 353 V CA 0.437 62.603 62.300 -0.222 0.000 0.906 353 V CB 1.327 32.898 31.823 -0.420 0.000 1.015 353 V HN 0.871 nan 8.190 nan 0.000 0.427 354 G N 4.494 113.218 108.800 -0.126 0.000 2.422 354 G HA2 0.071 4.031 3.960 -0.000 0.000 0.301 354 G HA3 0.071 4.031 3.960 -0.000 0.000 0.301 354 G C 1.554 176.604 174.900 0.250 0.000 0.981 354 G CA 1.442 46.643 45.100 0.167 0.000 0.994 354 G HN 2.720 nan 8.290 nan 0.000 0.514 355 G N -1.971 106.907 108.800 0.129 0.000 2.253 355 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 355 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 355 G C 0.584 175.541 174.900 0.096 0.000 0.998 355 G CA 0.516 45.722 45.100 0.176 0.000 0.621 355 G HN 1.292 nan 8.290 nan 0.000 0.524 356 L N 0.660 121.912 121.223 0.049 0.000 2.418 356 L HA 0.638 4.978 4.340 -0.000 0.000 0.265 356 L C 0.391 177.189 176.870 -0.121 0.000 1.143 356 L CA -0.309 54.465 54.840 -0.110 0.000 0.809 356 L CB 0.946 42.877 42.059 -0.214 0.000 1.124 356 L HN 0.199 nan 8.230 nan 0.000 0.456 357 E N 1.815 121.853 120.200 -0.270 0.000 2.234 357 E HA 0.418 4.768 4.350 -0.000 0.000 0.266 357 E C -1.597 174.800 176.600 -0.338 0.000 0.877 357 E CA -0.450 55.861 56.400 -0.147 0.000 0.758 357 E CB 2.049 31.701 29.700 -0.080 0.000 1.170 357 E HN 0.261 nan 8.360 nan 0.000 0.415 358 F N 3.706 123.680 119.950 0.039 0.000 2.359 358 F HA 0.265 4.792 4.527 -0.000 0.000 0.370 358 F C -1.548 174.323 175.800 0.118 0.000 1.077 358 F CA -2.058 55.981 58.000 0.066 0.000 1.136 358 F CB 1.411 40.442 39.000 0.052 0.000 1.387 358 F HN 0.334 nan 8.300 nan 0.000 0.468 359 P HA 0.020 nan 4.420 nan 0.000 0.242 359 P C -0.048 177.393 177.300 0.234 0.000 1.197 359 P CA 0.566 63.784 63.100 0.196 0.000 0.765 359 P CB 0.527 32.307 31.700 0.133 0.000 0.936 360 A N 0.425 123.433 122.820 0.313 0.000 2.375 360 A HA 0.560 4.880 4.320 -0.000 0.000 0.291 360 A C -0.216 177.641 177.584 0.456 0.000 1.160 360 A CA -0.440 51.812 52.037 0.357 0.000 0.747 360 A CB 0.334 19.547 19.000 0.355 0.000 1.170 360 A HN 0.295 nan 8.150 nan 0.000 0.458 361 C N 0.404 119.914 119.300 0.349 0.000 3.096 361 C HA 0.481 4.941 4.460 -0.000 0.000 0.329 361 C C -3.301 171.796 174.990 0.178 0.000 0.912 361 C CA -1.516 57.658 59.018 0.261 0.000 1.168 361 C CB -0.555 27.323 27.740 0.231 0.000 1.627 361 C HN 0.507 nan 8.230 nan 0.000 0.622 362 P HA 0.418 nan 4.420 nan 0.000 0.268 362 P C -0.403 176.920 177.300 0.038 0.000 1.204 362 P CA 0.620 63.674 63.100 -0.077 0.000 0.768 362 P CB 0.174 31.807 31.700 -0.110 0.000 0.842 363 F N 0.432 120.319 119.950 -0.105 0.000 2.613 363 F HA 0.743 5.270 4.527 -0.000 0.000 0.314 363 F C -0.743 174.950 175.800 -0.179 0.000 1.075 363 F CA -1.111 56.818 58.000 -0.119 0.000 0.945 363 F CB 1.714 40.492 39.000 -0.370 0.000 1.310 363 F HN 0.322 nan 8.300 nan 0.000 0.467 364 N N -0.181 118.603 118.700 0.139 0.000 2.708 364 N HA 0.707 5.447 4.740 -0.000 0.000 0.257 364 N C -1.338 174.104 175.510 -0.113 0.000 1.373 364 N CA -0.424 52.623 53.050 -0.005 0.000 0.843 364 N CB 1.837 40.345 38.487 0.036 0.000 1.503 364 N HN 1.119 nan 8.380 nan 0.000 0.504 365 G N -0.909 107.784 108.800 -0.179 0.000 3.137 365 G HA2 0.662 4.622 3.960 -0.000 0.000 0.196 365 G HA3 0.662 4.622 3.960 -0.000 0.000 0.196 365 G C -1.883 172.951 174.900 -0.109 0.000 1.135 365 G CA -0.668 44.246 45.100 -0.310 0.000 0.803 365 G HN 0.700 nan 8.290 nan 0.000 0.619 366 W N -1.443 119.856 121.300 -0.000 0.000 2.820 366 W HA 0.835 5.495 4.660 -0.000 0.000 0.350 366 W C -1.312 175.200 176.519 -0.013 0.000 1.116 366 W CA -2.168 55.187 57.345 0.017 0.000 1.146 366 W CB 0.317 29.832 29.460 0.091 0.000 1.433 366 W HN 0.416 nan 8.180 nan 0.000 0.561 367 Y N 2.004 122.508 120.300 0.341 0.000 2.357 367 Y HA 0.284 4.834 4.550 -0.000 0.000 0.340 367 Y C 0.621 176.583 175.900 0.105 0.000 1.260 367 Y CA -0.655 57.517 58.100 0.120 0.000 1.425 367 Y CB 1.048 39.470 38.460 -0.062 0.000 1.326 367 Y HN 0.418 nan 8.280 nan 0.000 0.580 368 M N 1.892 121.644 119.600 0.254 0.000 2.125 368 M HA 0.352 4.832 4.480 -0.000 0.000 0.321 368 M C 1.036 177.307 176.300 -0.047 0.000 0.983 368 M CA -0.195 55.170 55.300 0.109 0.000 0.934 368 M CB 1.228 33.878 32.600 0.083 0.000 1.542 368 M HN 0.843 nan 8.290 nan 0.000 0.424 369 G N 2.004 110.732 108.800 -0.120 0.000 2.728 369 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.224 369 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.224 369 G C 1.115 175.835 174.900 -0.301 0.000 1.139 369 G CA 2.155 47.107 45.100 -0.247 0.000 0.761 369 G HN 0.863 nan 8.290 nan 0.000 0.621 370 T N -1.002 113.394 114.554 -0.262 0.000 2.929 370 T HA -0.028 4.322 4.350 -0.000 0.000 0.271 370 T C 1.926 176.436 174.700 -0.318 0.000 1.085 370 T CA 1.691 63.590 62.100 -0.334 0.000 1.125 370 T CB -0.262 68.355 68.868 -0.419 0.000 0.874 370 T HN 0.583 nan 8.240 nan 0.000 0.494 371 E N 0.830 120.865 120.200 -0.275 0.000 2.077 371 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 371 E C 2.076 178.364 176.600 -0.520 0.000 0.989 371 E CA 1.287 57.535 56.400 -0.254 0.000 0.800 371 E CB -0.216 29.486 29.700 0.003 0.000 0.746 371 E HN 0.585 nan 8.360 nan 0.000 0.452 372 I N 0.237 120.331 120.570 -0.792 0.000 2.385 372 I HA -0.035 4.135 4.170 -0.000 0.000 0.244 372 I C 2.593 178.085 176.117 -1.043 0.000 1.089 372 I CA 0.789 61.315 61.300 -1.290 0.000 1.410 372 I CB -0.476 36.650 38.000 -1.457 0.000 1.117 372 I HN 0.095 nan 8.210 nan 0.000 0.429 373 G N 0.735 109.179 108.800 -0.592 0.000 2.418 373 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 373 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 373 G C 1.598 176.402 174.900 -0.160 0.000 1.158 373 G CA 1.191 46.146 45.100 -0.242 0.000 0.771 373 G HN 0.225 nan 8.290 nan 0.000 0.545 374 V N 0.163 119.931 119.914 -0.243 0.000 2.403 374 V HA 0.071 4.191 4.120 -0.000 0.000 0.239 374 V C 2.819 178.814 176.094 -0.165 0.000 1.041 374 V CA 1.010 63.201 62.300 -0.182 0.000 1.051 374 V CB -0.319 31.369 31.823 -0.226 0.000 0.704 374 V HN 0.112 nan 8.190 nan 0.000 0.472 375 R N 0.735 121.101 120.500 -0.225 0.000 2.056 375 R HA -0.041 4.299 4.340 -0.000 0.000 0.227 375 R C 2.003 178.203 176.300 -0.166 0.000 1.149 375 R CA 1.552 57.544 56.100 -0.180 0.000 0.937 375 R CB -1.197 28.990 30.300 -0.189 0.000 0.835 375 R HN 0.479 nan 8.270 nan 0.000 0.430 376 D N 0.337 120.526 120.400 -0.352 0.000 2.123 376 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 376 D C 1.914 178.126 176.300 -0.147 0.000 0.992 376 D CA 1.206 54.953 54.000 -0.421 0.000 0.833 376 D CB -0.154 39.896 40.800 -1.251 0.000 0.954 376 D HN 0.089 nan 8.370 nan 0.000 0.455 377 F N 0.458 120.270 119.950 -0.229 0.000 2.220 377 F HA 0.016 4.543 4.527 -0.000 0.000 0.290 377 F C 2.524 178.352 175.800 0.047 0.000 1.080 377 F CA -0.124 57.844 58.000 -0.053 0.000 1.318 377 F CB -0.887 38.060 39.000 -0.090 0.000 1.063 377 F HN 0.013 nan 8.300 nan 0.000 0.498 378 C N -0.874 118.537 119.300 0.186 0.000 2.594 378 C HA 0.106 4.566 4.460 -0.000 0.000 0.265 378 C C 0.477 175.506 174.990 0.065 0.000 1.351 378 C CA -0.723 58.361 59.018 0.109 0.000 1.744 378 C CB -1.009 26.759 27.740 0.046 0.000 1.890 378 C HN 0.124 nan 8.230 nan 0.000 0.551 379 D N 1.316 121.748 120.400 0.053 0.000 2.458 379 D HA 0.053 4.693 4.640 -0.000 0.000 0.243 379 D C 1.308 177.642 176.300 0.058 0.000 1.146 379 D CA 0.572 54.592 54.000 0.032 0.000 0.877 379 D CB 0.926 41.740 40.800 0.024 0.000 1.176 379 D HN 0.147 nan 8.370 nan 0.000 0.461 380 T N 1.825 116.400 114.554 0.035 0.000 2.699 380 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 380 T C 1.615 176.340 174.700 0.042 0.000 1.036 380 T CA 1.308 63.431 62.100 0.039 0.000 1.147 380 T CB -0.047 68.835 68.868 0.025 0.000 0.862 380 T HN 0.549 nan 8.240 nan 0.000 0.446 381 Q N 0.470 120.293 119.800 0.039 0.000 2.482 381 Q HA 0.052 4.392 4.340 -0.000 0.000 0.209 381 Q C 1.145 177.178 176.000 0.055 0.000 0.961 381 Q CA 0.484 56.311 55.803 0.040 0.000 0.945 381 Q CB 0.163 28.923 28.738 0.038 0.000 1.012 381 Q HN 0.335 nan 8.270 nan 0.000 0.515 382 R N -0.248 120.301 120.500 0.081 0.000 2.366 382 R HA 0.222 4.562 4.340 -0.000 0.000 0.113 382 R C 1.218 177.568 176.300 0.082 0.000 1.519 382 R CA -0.110 56.072 56.100 0.137 0.000 1.310 382 R CB -0.993 29.452 30.300 0.242 0.000 1.109 382 R HN 0.113 nan 8.270 nan 0.000 0.432 383 Y N 1.633 122.046 120.300 0.187 0.000 2.482 383 Y HA 0.102 4.652 4.550 -0.000 0.000 0.270 383 Y C 0.435 176.416 175.900 0.135 0.000 1.152 383 Y CA -0.232 57.988 58.100 0.199 0.000 1.292 383 Y CB -0.341 38.331 38.460 0.353 0.000 1.070 383 Y HN 0.379 nan 8.280 nan 0.000 0.528 384 N N 1.750 120.581 118.700 0.219 0.000 2.722 384 N HA -0.239 4.501 4.740 -0.000 0.000 0.274 384 N C 0.422 176.021 175.510 0.148 0.000 0.987 384 N CA 0.791 53.930 53.050 0.148 0.000 0.817 384 N CB -1.109 37.434 38.487 0.093 0.000 0.921 384 N HN 0.682 nan 8.380 nan 0.000 0.565 385 I N -2.736 117.936 120.570 0.170 0.000 3.806 385 I HA 0.098 4.268 4.170 -0.000 0.000 0.321 385 I C 1.354 177.558 176.117 0.145 0.000 1.315 385 I CA -0.395 60.979 61.300 0.123 0.000 1.148 385 I CB -0.054 37.974 38.000 0.047 0.000 1.028 385 I HN 0.125 nan 8.210 nan 0.000 0.415 386 L N 1.187 122.509 121.223 0.164 0.000 2.072 386 L HA -0.055 4.284 4.340 -0.000 0.000 0.205 386 L C 2.520 179.608 176.870 0.363 0.000 1.079 386 L CA 1.808 56.776 54.840 0.213 0.000 0.752 386 L CB -0.693 41.438 42.059 0.120 0.000 0.906 386 L HN 0.342 nan 8.230 nan 0.000 0.436 387 E N -0.443 119.945 120.200 0.313 0.000 2.072 387 E HA -0.267 4.083 4.350 -0.000 0.000 0.191 387 E C 2.014 178.660 176.600 0.077 0.000 0.985 387 E CA 1.179 57.727 56.400 0.247 0.000 0.801 387 E CB 0.193 29.974 29.700 0.135 0.000 0.750 387 E HN 0.526 nan 8.360 nan 0.000 0.452 388 E N 0.313 120.561 120.200 0.081 0.000 2.038 388 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 388 E C 2.081 178.715 176.600 0.056 0.000 1.000 388 E CA 1.545 57.964 56.400 0.033 0.000 0.803 388 E CB -0.326 29.396 29.700 0.037 0.000 0.750 388 E HN 0.067 nan 8.360 nan 0.000 0.448 389 V N 0.387 120.400 119.914 0.166 0.000 2.490 389 V HA -0.163 3.956 4.120 -0.000 0.000 0.250 389 V C 2.250 178.484 176.094 0.234 0.000 1.061 389 V CA 1.786 64.264 62.300 0.297 0.000 1.064 389 V CB -0.992 31.055 31.823 0.374 0.000 0.670 389 V HN 0.499 nan 8.190 nan 0.000 0.461 390 G N 0.032 108.953 108.800 0.203 0.000 2.402 390 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 390 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 390 G C 1.754 176.589 174.900 -0.107 0.000 1.162 390 G CA 0.550 45.725 45.100 0.125 0.000 0.777 390 G HN 0.450 nan 8.290 nan 0.000 0.539 391 R N 0.057 120.451 120.500 -0.177 0.000 2.066 391 R HA 0.073 4.413 4.340 -0.000 0.000 0.232 391 R C 2.566 178.722 176.300 -0.240 0.000 1.131 391 R CA 0.860 56.835 56.100 -0.208 0.000 0.955 391 R CB -0.280 29.912 30.300 -0.180 0.000 0.851 391 R HN 0.183 nan 8.270 nan 0.000 0.432 392 R N 0.230 120.527 120.500 -0.339 0.000 2.328 392 R HA 0.000 4.340 4.340 -0.000 0.000 0.207 392 R C 1.468 177.354 176.300 -0.690 0.000 1.056 392 R CA 0.802 56.462 56.100 -0.734 0.000 1.016 392 R CB -0.005 29.521 30.300 -1.289 0.000 0.872 392 R HN 0.298 nan 8.270 nan 0.000 0.471 393 M N -0.754 118.725 119.600 -0.201 0.000 2.371 393 M HA 0.162 4.642 4.480 -0.000 0.000 0.246 393 M C 0.484 176.804 176.300 0.033 0.000 1.103 393 M CA 0.064 55.421 55.300 0.094 0.000 1.010 393 M CB 1.166 33.905 32.600 0.231 0.000 1.457 393 M HN 0.250 nan 8.290 nan 0.000 0.486 394 G N 2.599 111.352 108.800 -0.078 0.000 2.350 394 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.298 394 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.298 394 G C -0.449 174.427 174.900 -0.040 0.000 1.037 394 G CA 0.084 45.142 45.100 -0.070 0.000 1.074 394 G HN 0.412 nan 8.290 nan 0.000 0.511 395 L N -1.226 119.953 121.223 -0.073 0.000 2.313 395 L HA 0.496 4.836 4.340 -0.000 0.000 0.268 395 L C 0.853 177.613 176.870 -0.184 0.000 1.010 395 L CA -1.149 53.654 54.840 -0.062 0.000 0.814 395 L CB 1.254 43.329 42.059 0.027 0.000 1.304 395 L HN 0.195 nan 8.230 nan 0.000 0.441 396 E N 0.382 120.502 120.200 -0.133 0.000 2.323 396 E HA -0.008 4.342 4.350 -0.000 0.000 0.313 396 E C 0.497 176.841 176.600 -0.426 0.000 1.236 396 E CA -0.137 56.174 56.400 -0.150 0.000 1.333 396 E CB -0.083 29.611 29.700 -0.009 0.000 1.138 396 E HN 0.550 nan 8.360 nan 0.000 0.492 397 T N 0.495 114.615 114.554 -0.723 0.000 2.848 397 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 397 T C 0.706 174.952 174.700 -0.757 0.000 1.081 397 T CA 1.340 62.645 62.100 -1.324 0.000 1.125 397 T CB -0.181 68.060 68.868 -1.044 0.000 0.848 397 T HN 0.485 nan 8.240 nan 0.000 0.503 398 H N -0.225 118.704 119.070 -0.236 0.000 2.505 398 H HA 0.309 4.865 4.556 -0.000 0.000 0.289 398 H C 0.005 175.355 175.328 0.038 0.000 1.052 398 H CA -0.029 55.991 56.048 -0.047 0.000 1.156 398 H CB 0.447 30.177 29.762 -0.054 0.000 1.507 398 H HN 0.061 nan 8.280 nan 0.000 0.548 399 T N 1.458 116.103 114.554 0.153 0.000 3.068 399 T HA 0.060 4.410 4.350 -0.000 0.000 0.364 399 T C 0.938 175.806 174.700 0.279 0.000 1.161 399 T CA -0.409 61.795 62.100 0.174 0.000 1.155 399 T CB 0.980 69.922 68.868 0.123 0.000 1.060 399 T HN 0.060 nan 8.240 nan 0.000 0.513 400 L N 3.208 124.588 121.223 0.261 0.000 2.021 400 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 400 L C 2.479 179.435 176.870 0.144 0.000 1.074 400 L CA 2.180 57.153 54.840 0.222 0.000 0.760 400 L CB -0.834 41.297 42.059 0.120 0.000 0.889 400 L HN 0.706 nan 8.230 nan 0.000 0.433 401 A N -1.532 121.358 122.820 0.116 0.000 2.272 401 A HA -0.144 4.176 4.320 -0.000 0.000 0.213 401 A C 2.262 179.905 177.584 0.099 0.000 1.183 401 A CA 1.403 53.490 52.037 0.082 0.000 0.719 401 A CB -0.876 18.165 19.000 0.067 0.000 0.771 401 A HN 0.666 nan 8.150 nan 0.000 0.484 402 S N -0.711 115.086 115.700 0.161 0.000 2.527 402 S HA 0.188 4.657 4.470 -0.000 0.000 0.222 402 S C 0.825 175.520 174.600 0.158 0.000 0.985 402 S CA 0.499 58.799 58.200 0.167 0.000 0.921 402 S CB -0.651 62.675 63.200 0.210 0.000 0.772 402 S HN 0.869 nan 8.310 nan 0.000 0.529 403 L N 0.501 121.792 121.223 0.113 0.000 3.898 403 L HA -0.162 4.178 4.340 -0.000 0.000 0.407 403 L C 1.539 178.440 176.870 0.051 0.000 1.207 403 L CA 0.732 55.584 54.840 0.020 0.000 0.931 403 L CB -2.697 39.377 42.059 0.026 0.000 2.014 403 L HN 0.746 nan 8.230 nan 0.000 0.858 404 W N 0.304 121.617 121.300 0.021 0.000 2.402 404 W HA -0.082 4.578 4.660 -0.000 0.000 0.286 404 W C 1.701 178.234 176.519 0.022 0.000 1.221 404 W CA 1.162 58.522 57.345 0.024 0.000 1.257 404 W CB -0.700 28.772 29.460 0.020 0.000 1.120 404 W HN 0.247 nan 8.180 nan 0.000 0.551 405 K N 0.998 120.898 120.400 -0.834 0.000 2.063 405 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 405 K C 1.474 177.909 176.600 -0.275 0.000 1.048 405 K CA 2.364 58.180 56.287 -0.785 0.000 0.928 405 K CB -0.326 31.636 32.500 -0.896 0.000 0.713 405 K HN 0.032 nan 8.250 nan 0.000 0.442 406 D N 0.164 120.452 120.400 -0.186 0.000 2.097 406 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 406 D C 1.995 178.290 176.300 -0.009 0.000 0.989 406 D CA 0.908 54.861 54.000 -0.079 0.000 0.827 406 D CB -0.017 40.753 40.800 -0.050 0.000 0.966 406 D HN 0.054 nan 8.370 nan 0.000 0.456 407 R N 0.581 121.106 120.500 0.042 0.000 2.080 407 R HA -0.068 4.272 4.340 -0.000 0.000 0.236 407 R C 2.186 178.545 176.300 0.098 0.000 1.137 407 R CA 1.317 57.474 56.100 0.096 0.000 0.943 407 R CB -0.682 29.715 30.300 0.162 0.000 0.846 407 R HN 0.210 nan 8.270 nan 0.000 0.431 408 A N 0.702 123.603 122.820 0.134 0.000 1.835 408 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 408 A C 2.311 179.942 177.584 0.078 0.000 1.199 408 A CA 1.674 53.802 52.037 0.151 0.000 0.615 408 A CB -1.160 17.996 19.000 0.259 0.000 0.838 408 A HN 0.181 nan 8.150 nan 0.000 0.444 409 V N 0.117 120.051 119.914 0.033 0.000 2.428 409 V HA -0.289 3.831 4.120 -0.000 0.000 0.255 409 V C 2.523 178.613 176.094 -0.006 0.000 1.080 409 V CA 3.054 65.357 62.300 0.004 0.000 1.083 409 V CB -0.898 30.895 31.823 -0.050 0.000 0.665 409 V HN 0.684 nan 8.190 nan 0.000 0.461 410 T N -0.593 113.962 114.554 0.002 0.000 2.857 410 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 410 T C 1.750 176.438 174.700 -0.021 0.000 1.048 410 T CA 1.279 63.383 62.100 0.006 0.000 1.139 410 T CB -0.196 68.691 68.868 0.033 0.000 0.874 410 T HN 0.525 nan 8.240 nan 0.000 0.455 411 E N 1.193 121.375 120.200 -0.029 0.000 2.106 411 E HA 0.046 4.396 4.350 -0.000 0.000 0.192 411 E C 2.172 178.644 176.600 -0.213 0.000 0.984 411 E CA 0.634 56.977 56.400 -0.096 0.000 0.806 411 E CB -0.363 29.224 29.700 -0.189 0.000 0.750 411 E HN 0.523 nan 8.360 nan 0.000 0.458 412 I N 0.943 121.448 120.570 -0.108 0.000 2.493 412 I HA -0.239 3.931 4.170 -0.000 0.000 0.254 412 I C 1.888 177.966 176.117 -0.065 0.000 1.160 412 I CA 0.853 62.121 61.300 -0.054 0.000 1.445 412 I CB -0.316 37.777 38.000 0.155 0.000 1.086 412 I HN 0.095 nan 8.210 nan 0.000 0.433 413 N N 0.056 118.712 118.700 -0.074 0.000 2.216 413 N HA -0.108 4.632 4.740 -0.000 0.000 0.183 413 N C 1.874 177.325 175.510 -0.099 0.000 1.017 413 N CA 0.718 53.722 53.050 -0.076 0.000 0.861 413 N CB 0.243 38.703 38.487 -0.045 0.000 0.986 413 N HN 0.037 nan 8.380 nan 0.000 0.428 414 V N 1.103 120.922 119.914 -0.158 0.000 2.358 414 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 414 V C 2.301 178.223 176.094 -0.287 0.000 1.047 414 V CA 1.806 63.974 62.300 -0.220 0.000 1.035 414 V CB -0.869 30.768 31.823 -0.311 0.000 0.658 414 V HN 0.323 nan 8.190 nan 0.000 0.452 415 A N 0.136 122.691 122.820 -0.443 0.000 1.865 415 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 415 A C 2.420 179.982 177.584 -0.038 0.000 1.191 415 A CA 2.393 54.199 52.037 -0.385 0.000 0.623 415 A CB -0.871 17.659 19.000 -0.783 0.000 0.826 415 A HN 0.318 nan 8.150 nan 0.000 0.444 416 V N 0.098 120.014 119.914 0.002 0.000 2.255 416 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 416 V C 2.615 178.739 176.094 0.051 0.000 1.051 416 V CA 2.174 64.518 62.300 0.074 0.000 1.018 416 V CB -0.878 30.905 31.823 -0.066 0.000 0.641 416 V HN 0.575 nan 8.190 nan 0.000 0.445 417 L N -0.535 120.670 121.223 -0.030 0.000 2.012 417 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 417 L C 2.676 179.588 176.870 0.070 0.000 1.073 417 L CA 2.228 57.062 54.840 -0.009 0.000 0.748 417 L CB -0.982 41.068 42.059 -0.015 0.000 0.891 417 L HN 0.525 nan 8.230 nan 0.000 0.431 418 H N -0.169 118.879 119.070 -0.037 0.000 2.352 418 H HA -0.149 4.407 4.556 -0.000 0.000 0.299 418 H C 2.229 177.573 175.328 0.027 0.000 1.097 418 H CA 1.899 57.926 56.048 -0.036 0.000 1.311 418 H CB 0.306 29.992 29.762 -0.127 0.000 1.377 418 H HN 0.263 nan 8.280 nan 0.000 0.504 419 S N 0.221 115.878 115.700 -0.072 0.000 2.368 419 S HA -0.102 4.367 4.470 -0.000 0.000 0.224 419 S C 1.953 176.545 174.600 -0.014 0.000 1.029 419 S CA 1.098 59.254 58.200 -0.073 0.000 0.988 419 S CB -0.477 62.792 63.200 0.114 0.000 0.838 419 S HN 0.291 nan 8.310 nan 0.000 0.462 420 F N 2.090 121.989 119.950 -0.084 0.000 2.171 420 F HA -0.083 4.444 4.527 -0.000 0.000 0.300 420 F C 2.582 178.336 175.800 -0.077 0.000 1.090 420 F CA 1.007 58.977 58.000 -0.050 0.000 1.293 420 F CB -0.517 38.472 39.000 -0.018 0.000 1.013 420 F HN 0.237 nan 8.300 nan 0.000 0.486 421 Q N -0.382 119.460 119.800 0.070 0.000 2.123 421 Q HA -0.170 4.170 4.340 -0.000 0.000 0.199 421 Q C 2.186 178.137 176.000 -0.081 0.000 0.966 421 Q CA 1.152 56.949 55.803 -0.009 0.000 0.845 421 Q CB -0.226 28.503 28.738 -0.016 0.000 0.907 421 Q HN 0.318 nan 8.270 nan 0.000 0.439 422 K N 0.905 121.197 120.400 -0.180 0.000 2.148 422 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 422 K C 1.284 177.814 176.600 -0.117 0.000 1.050 422 K CA 1.087 57.263 56.287 -0.185 0.000 0.942 422 K CB 0.230 32.539 32.500 -0.318 0.000 0.724 422 K HN 0.187 nan 8.250 nan 0.000 0.446 423 Q N 0.480 120.208 119.800 -0.120 0.000 2.222 423 Q HA 0.109 4.449 4.340 -0.000 0.000 0.206 423 Q C -0.712 175.233 176.000 -0.091 0.000 0.877 423 Q CA -0.262 55.477 55.803 -0.107 0.000 0.958 423 Q CB 0.490 29.143 28.738 -0.143 0.000 1.075 423 Q HN 0.240 nan 8.270 nan 0.000 0.483 424 N N 0.260 118.920 118.700 -0.067 0.000 2.725 424 N HA -0.146 4.594 4.740 -0.000 0.000 0.251 424 N C -1.315 174.172 175.510 -0.038 0.000 1.031 424 N CA 0.622 53.645 53.050 -0.046 0.000 0.720 424 N CB -1.166 37.295 38.487 -0.044 0.000 0.930 424 N HN 0.042 nan 8.380 nan 0.000 0.543 425 V N 0.522 120.426 119.914 -0.018 0.000 2.459 425 V HA 0.282 4.402 4.120 -0.000 0.000 0.295 425 V C 0.923 177.117 176.094 0.166 0.000 1.029 425 V CA -0.726 61.593 62.300 0.031 0.000 0.874 425 V CB 2.087 33.837 31.823 -0.121 0.000 0.985 425 V HN 0.168 nan 8.190 nan 0.000 0.438 426 T N 6.077 120.694 114.554 0.104 0.000 2.934 426 T HA 0.451 4.801 4.350 -0.000 0.000 0.306 426 T C -0.259 174.526 174.700 0.141 0.000 1.042 426 T CA 0.870 62.965 62.100 -0.009 0.000 1.145 426 T CB 0.047 68.800 68.868 -0.192 0.000 0.982 426 T HN 0.599 nan 8.240 nan 0.000 0.544 427 I N 2.468 123.032 120.570 -0.010 0.000 2.800 427 I HA 0.469 4.638 4.170 -0.000 0.000 0.294 427 I C -1.661 174.449 176.117 -0.011 0.000 1.538 427 I CA -0.828 60.490 61.300 0.030 0.000 1.010 427 I CB 1.845 39.780 38.000 -0.109 0.000 1.381 427 I HN 0.633 nan 8.210 nan 0.000 0.462 428 M N 5.632 125.285 119.600 0.089 0.000 2.395 428 M HA 0.415 4.895 4.480 -0.000 0.000 0.307 428 M C -1.412 174.939 176.300 0.085 0.000 1.091 428 M CA -0.485 54.875 55.300 0.100 0.000 0.919 428 M CB 1.731 34.464 32.600 0.221 0.000 1.662 428 M HN 0.637 nan 8.290 nan 0.000 0.440 429 D N 1.938 122.380 120.400 0.070 0.000 2.360 429 D HA 0.056 4.696 4.640 -0.000 0.000 0.242 429 D C 1.099 177.455 176.300 0.093 0.000 1.184 429 D CA -0.096 53.961 54.000 0.095 0.000 0.930 429 D CB 0.538 41.378 40.800 0.067 0.000 1.161 429 D HN 0.688 nan 8.370 nan 0.000 0.447 430 H N 0.121 119.135 119.070 -0.092 0.000 2.457 430 H HA -0.124 4.432 4.556 -0.000 0.000 0.294 430 H C 1.123 176.350 175.328 -0.167 0.000 1.064 430 H CA 1.333 57.283 56.048 -0.163 0.000 1.330 430 H CB -0.691 28.912 29.762 -0.264 0.000 1.395 430 H HN 0.539 nan 8.280 nan 0.000 0.541 431 H N 1.049 119.934 119.070 -0.308 0.000 2.276 431 H HA -0.046 4.510 4.556 -0.000 0.000 0.301 431 H C 2.051 177.353 175.328 -0.043 0.000 1.073 431 H CA 1.988 57.926 56.048 -0.183 0.000 1.311 431 H CB -0.398 29.221 29.762 -0.238 0.000 1.379 431 H HN 0.364 nan 8.280 nan 0.000 0.494 432 T N 1.423 116.037 114.554 0.101 0.000 2.665 432 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 432 T C 2.338 177.105 174.700 0.112 0.000 1.035 432 T CA 1.423 63.578 62.100 0.092 0.000 1.151 432 T CB -0.527 68.387 68.868 0.076 0.000 0.862 432 T HN 0.453 nan 8.240 nan 0.000 0.438 433 A N 1.361 124.249 122.820 0.112 0.000 1.908 433 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 433 A C 2.635 180.309 177.584 0.149 0.000 1.181 433 A CA 2.087 54.208 52.037 0.140 0.000 0.627 433 A CB -0.938 18.136 19.000 0.123 0.000 0.818 433 A HN 0.452 nan 8.150 nan 0.000 0.445 434 S N -0.682 115.085 115.700 0.112 0.000 2.382 434 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 434 S C 1.888 176.601 174.600 0.189 0.000 1.027 434 S CA 1.503 59.784 58.200 0.135 0.000 0.991 434 S CB -0.248 63.002 63.200 0.083 0.000 0.823 434 S HN 0.702 nan 8.310 nan 0.000 0.469 435 E N 1.046 121.336 120.200 0.149 0.000 2.047 435 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 435 E C 2.433 179.118 176.600 0.142 0.000 0.987 435 E CA 1.352 57.832 56.400 0.133 0.000 0.799 435 E CB -0.095 29.664 29.700 0.099 0.000 0.752 435 E HN 0.617 nan 8.360 nan 0.000 0.449 436 S N 0.523 116.317 115.700 0.156 0.000 2.370 436 S HA -0.220 4.250 4.470 -0.000 0.000 0.226 436 S C 1.937 176.655 174.600 0.197 0.000 1.033 436 S CA 0.979 59.273 58.200 0.158 0.000 1.011 436 S CB -0.642 62.658 63.200 0.166 0.000 0.852 436 S HN 0.341 nan 8.310 nan 0.000 0.457 437 F N 2.220 122.234 119.950 0.107 0.000 2.171 437 F HA -0.008 4.519 4.527 -0.000 0.000 0.300 437 F C 2.357 178.246 175.800 0.148 0.000 1.090 437 F CA 1.364 59.445 58.000 0.136 0.000 1.293 437 F CB -0.364 38.696 39.000 0.099 0.000 1.013 437 F HN 0.084 nan 8.300 nan 0.000 0.486 438 M N 0.164 119.825 119.600 0.102 0.000 2.108 438 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 438 M C 2.240 178.495 176.300 -0.075 0.000 1.066 438 M CA 1.656 56.955 55.300 -0.003 0.000 1.107 438 M CB -1.150 31.505 32.600 0.091 0.000 1.356 438 M HN 0.102 nan 8.290 nan 0.000 0.406 439 K N -0.244 120.152 120.400 -0.006 0.000 2.026 439 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 439 K C 1.977 178.556 176.600 -0.034 0.000 1.048 439 K CA 1.975 58.259 56.287 -0.005 0.000 0.929 439 K CB -0.773 31.751 32.500 0.041 0.000 0.713 439 K HN 0.376 nan 8.250 nan 0.000 0.439 440 H N 0.210 119.204 119.070 -0.127 0.000 2.289 440 H HA -0.155 4.401 4.556 -0.000 0.000 0.296 440 H C 2.037 177.226 175.328 -0.230 0.000 1.091 440 H CA 2.783 58.737 56.048 -0.156 0.000 1.274 440 H CB -0.395 29.258 29.762 -0.181 0.000 1.364 440 H HN 0.316 nan 8.280 nan 0.000 0.490 441 M N -0.090 119.157 119.600 -0.588 0.000 2.144 441 M HA -0.261 4.219 4.480 -0.000 0.000 0.260 441 M C 2.117 178.287 176.300 -0.216 0.000 1.067 441 M CA 2.076 57.059 55.300 -0.528 0.000 1.095 441 M CB -0.061 32.209 32.600 -0.550 0.000 1.365 441 M HN 0.480 nan 8.290 nan 0.000 0.406 442 Q N 0.036 119.723 119.800 -0.187 0.000 2.079 442 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 442 Q C 1.786 177.745 176.000 -0.068 0.000 0.974 442 Q CA 1.651 57.395 55.803 -0.098 0.000 0.840 442 Q CB -0.208 28.477 28.738 -0.089 0.000 0.898 442 Q HN 0.623 nan 8.270 nan 0.000 0.430 443 N N 0.645 119.276 118.700 -0.115 0.000 2.104 443 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 443 N C 1.578 177.010 175.510 -0.130 0.000 1.024 443 N CA 1.031 54.027 53.050 -0.089 0.000 0.853 443 N CB -0.191 38.265 38.487 -0.053 0.000 1.008 443 N HN 0.227 nan 8.380 nan 0.000 0.424 444 E N 0.454 120.498 120.200 -0.259 0.000 2.085 444 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 444 E C 1.901 178.363 176.600 -0.230 0.000 0.994 444 E CA 0.923 57.142 56.400 -0.302 0.000 0.801 444 E CB -0.453 28.976 29.700 -0.452 0.000 0.743 444 E HN 0.496 nan 8.360 nan 0.000 0.453 445 Y N 0.737 120.923 120.300 -0.191 0.000 2.293 445 Y HA -0.092 4.458 4.550 -0.000 0.000 0.291 445 Y C 2.556 178.384 175.900 -0.121 0.000 1.137 445 Y CA 1.133 59.151 58.100 -0.137 0.000 1.202 445 Y CB -0.094 38.288 38.460 -0.130 0.000 0.990 445 Y HN -0.027 nan 8.280 nan 0.000 0.537 446 R N -0.722 119.775 120.500 -0.005 0.000 2.073 446 R HA -0.081 4.259 4.340 -0.000 0.000 0.229 446 R C 2.468 178.734 176.300 -0.057 0.000 1.120 446 R CA 1.060 57.140 56.100 -0.034 0.000 0.967 446 R CB -0.451 29.832 30.300 -0.028 0.000 0.862 446 R HN 0.280 nan 8.270 nan 0.000 0.436 447 A N 1.464 124.238 122.820 -0.076 0.000 1.897 447 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 447 A C 1.490 179.016 177.584 -0.097 0.000 1.181 447 A CA 1.458 53.451 52.037 -0.073 0.000 0.620 447 A CB -0.064 18.891 19.000 -0.076 0.000 0.821 447 A HN 0.427 nan 8.150 nan 0.000 0.443 448 R N -2.927 117.481 120.500 -0.154 0.000 2.517 448 R HA 0.360 4.700 4.340 -0.000 0.000 0.434 448 R C 0.551 176.718 176.300 -0.221 0.000 0.884 448 R CA 0.158 56.162 56.100 -0.159 0.000 1.090 448 R CB -1.059 29.149 30.300 -0.153 0.000 1.601 448 R HN 0.861 nan 8.270 nan 0.000 0.579 449 G N 0.267 108.907 108.800 -0.266 0.000 2.386 449 G HA2 0.051 4.011 3.960 -0.000 0.000 0.295 449 G HA3 0.051 4.011 3.960 -0.000 0.000 0.295 449 G C 0.299 174.828 174.900 -0.618 0.000 0.979 449 G CA 0.446 45.338 45.100 -0.348 0.000 1.193 449 G HN 1.024 nan 8.290 nan 0.000 0.508 450 G N -2.273 105.815 108.800 -1.185 0.000 2.352 450 G HA2 0.533 4.493 3.960 -0.000 0.000 0.305 450 G HA3 0.533 4.493 3.960 -0.000 0.000 0.305 450 G C -0.744 173.773 174.900 -0.639 0.000 1.537 450 G CA 0.169 44.639 45.100 -1.049 0.000 0.959 450 G HN 1.970 nan 8.290 nan 0.000 0.668 451 C N 3.044 122.207 119.300 -0.228 0.000 2.982 451 C HA 0.625 5.085 4.460 -0.000 0.000 0.372 451 C C -2.505 172.433 174.990 -0.086 0.000 1.061 451 C CA -1.215 57.745 59.018 -0.096 0.000 1.309 451 C CB 0.998 28.730 27.740 -0.013 0.000 1.766 451 C HN 0.704 nan 8.230 nan 0.000 0.504 452 P HA 0.317 nan 4.420 nan 0.000 0.261 452 P C -0.478 176.709 177.300 -0.188 0.000 1.203 452 P CA 0.828 63.533 63.100 -0.658 0.000 0.767 452 P CB 0.754 31.965 31.700 -0.815 0.000 0.785 453 A N 3.157 125.928 122.820 -0.081 0.000 2.374 453 A HA 0.398 4.718 4.320 -0.000 0.000 0.305 453 A C -0.678 176.945 177.584 0.065 0.000 1.053 453 A CA -0.583 51.508 52.037 0.089 0.000 0.726 453 A CB 1.193 20.367 19.000 0.291 0.000 1.229 453 A HN 0.445 nan 8.150 nan 0.000 0.431 454 D N 2.338 122.778 120.400 0.067 0.000 2.485 454 D HA 0.081 4.721 4.640 -0.000 0.000 0.221 454 D C 0.822 177.254 176.300 0.219 0.000 1.112 454 D CA -0.528 53.550 54.000 0.130 0.000 0.911 454 D CB 0.254 41.110 40.800 0.094 0.000 1.019 454 D HN 0.632 nan 8.370 nan 0.000 0.516 455 W N 4.307 125.641 121.300 0.056 0.000 2.290 455 W HA -0.255 4.405 4.660 -0.000 0.000 0.311 455 W C 1.721 178.277 176.519 0.063 0.000 1.238 455 W CA 1.332 58.702 57.345 0.042 0.000 1.255 455 W CB -0.068 29.394 29.460 0.003 0.000 1.145 455 W HN 0.477 nan 8.180 nan 0.000 0.506 456 I N -1.250 119.622 120.570 0.503 0.000 2.454 456 I HA -0.273 3.897 4.170 -0.000 0.000 0.254 456 I C 1.647 177.888 176.117 0.208 0.000 1.156 456 I CA 1.217 62.755 61.300 0.396 0.000 1.433 456 I CB -0.577 37.674 38.000 0.419 0.000 1.082 456 I HN 0.106 nan 8.210 nan 0.000 0.432 457 W N 0.089 121.384 121.300 -0.009 0.000 2.683 457 W HA 0.164 4.824 4.660 -0.000 0.000 0.267 457 W C 2.200 178.623 176.519 -0.160 0.000 1.243 457 W CA 0.106 57.418 57.345 -0.055 0.000 1.380 457 W CB -0.287 29.168 29.460 -0.009 0.000 1.063 457 W HN -0.088 nan 8.180 nan 0.000 0.599 458 L N -0.088 121.118 121.223 -0.028 0.000 2.141 458 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 458 L C 0.671 177.348 176.870 -0.323 0.000 1.094 458 L CA 0.458 55.143 54.840 -0.257 0.000 0.763 458 L CB -0.975 40.837 42.059 -0.411 0.000 0.908 458 L HN -0.396 nan 8.230 nan 0.000 0.437 459 V N 1.252 120.904 119.914 -0.437 0.000 2.470 459 V HA 0.118 4.238 4.120 -0.000 0.000 0.276 459 V C -1.868 174.064 176.094 -0.270 0.000 1.040 459 V CA -1.376 60.659 62.300 -0.442 0.000 1.008 459 V CB 0.343 31.698 31.823 -0.779 0.000 0.990 459 V HN 0.031 nan 8.190 nan 0.000 0.477 460 P HA 0.046 nan 4.420 nan 0.000 0.266 460 P C -1.805 175.378 177.300 -0.195 0.000 1.193 460 P CA -0.831 62.160 63.100 -0.181 0.000 0.770 460 P CB 0.055 31.681 31.700 -0.123 0.000 0.836 461 P HA -0.057 nan 4.420 nan 0.000 0.242 461 P C -0.180 177.013 177.300 -0.178 0.000 1.198 461 P CA 0.934 63.915 63.100 -0.199 0.000 0.756 461 P CB -0.038 31.530 31.700 -0.220 0.000 0.911 462 V N -7.258 112.540 119.914 -0.194 0.000 3.204 462 V HA 0.494 4.614 4.120 -0.000 0.000 0.298 462 V C 0.290 176.337 176.094 -0.077 0.000 1.328 462 V CA -0.812 61.401 62.300 -0.145 0.000 1.035 462 V CB 1.259 32.973 31.823 -0.183 0.000 1.095 462 V HN -0.158 nan 8.190 nan 0.000 0.442 463 S N 0.627 116.317 115.700 -0.017 0.000 3.521 463 S HA -0.199 4.271 4.470 -0.000 0.000 0.328 463 S C 1.574 176.161 174.600 -0.022 0.000 1.165 463 S CA 1.597 59.818 58.200 0.035 0.000 0.941 463 S CB -1.580 61.723 63.200 0.171 0.000 0.951 463 S HN 2.190 nan 8.310 nan 0.000 0.539 464 G N 2.590 111.349 108.800 -0.069 0.000 2.863 464 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.217 464 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.217 464 G C 1.469 176.204 174.900 -0.275 0.000 1.315 464 G CA 1.894 46.944 45.100 -0.083 0.000 0.796 464 G HN 1.401 nan 8.290 nan 0.000 0.669 465 S N 0.182 115.384 115.700 -0.829 0.000 2.537 465 S HA 0.016 4.486 4.470 -0.000 0.000 0.240 465 S C 1.956 176.461 174.600 -0.158 0.000 0.981 465 S CA 0.908 58.449 58.200 -1.098 0.000 0.948 465 S CB -0.127 62.338 63.200 -1.226 0.000 0.759 465 S HN 0.231 nan 8.310 nan 0.000 0.531 466 I N 2.665 123.194 120.570 -0.069 0.000 3.428 466 I HA 0.081 4.251 4.170 -0.000 0.000 0.286 466 I C 1.166 177.371 176.117 0.147 0.000 1.287 466 I CA 0.543 61.885 61.300 0.069 0.000 1.396 466 I CB -1.785 36.277 38.000 0.102 0.000 1.062 466 I HN 0.504 nan 8.210 nan 0.000 0.471 467 T N -1.323 113.317 114.554 0.143 0.000 2.855 467 T HA 0.384 4.734 4.350 -0.000 0.000 0.281 467 T C -1.487 173.379 174.700 0.277 0.000 1.007 467 T CA -1.852 60.352 62.100 0.172 0.000 1.009 467 T CB 2.534 71.453 68.868 0.084 0.000 0.983 467 T HN -0.122 nan 8.240 nan 0.000 0.455 468 P HA -0.119 nan 4.420 nan 0.000 0.221 468 P C 1.790 179.293 177.300 0.337 0.000 1.145 468 P CA 1.082 64.365 63.100 0.305 0.000 0.795 468 P CB -0.294 31.523 31.700 0.195 0.000 0.775 469 V N -3.261 116.800 119.914 0.246 0.000 2.407 469 V HA -0.216 3.903 4.120 -0.000 0.000 0.248 469 V C 2.386 178.576 176.094 0.161 0.000 1.055 469 V CA 1.492 63.900 62.300 0.180 0.000 1.049 469 V CB -2.306 29.529 31.823 0.020 0.000 0.662 469 V HN -0.088 nan 8.190 nan 0.000 0.455 470 F N 1.930 121.869 119.950 -0.019 0.000 2.202 470 F HA -0.148 4.379 4.527 -0.000 0.000 0.301 470 F C 2.299 178.274 175.800 0.291 0.000 1.082 470 F CA 2.111 60.139 58.000 0.046 0.000 1.313 470 F CB -0.420 38.522 39.000 -0.096 0.000 1.024 470 F HN 0.310 nan 8.300 nan 0.000 0.495 471 H N -0.884 118.552 119.070 0.610 0.000 2.526 471 H HA 0.143 4.699 4.556 -0.000 0.000 0.274 471 H C 0.145 175.731 175.328 0.431 0.000 0.999 471 H CA 0.115 56.467 56.048 0.507 0.000 1.157 471 H CB -0.020 30.010 29.762 0.447 0.000 1.407 471 H HN 0.246 nan 8.280 nan 0.000 0.568 472 Q N 1.926 122.015 119.800 0.481 0.000 2.347 472 Q HA 0.170 4.510 4.340 -0.000 0.000 0.262 472 Q C -0.631 175.588 176.000 0.365 0.000 0.980 472 Q CA -0.468 55.550 55.803 0.358 0.000 0.867 472 Q CB 0.886 29.796 28.738 0.286 0.000 1.242 472 Q HN 0.246 nan 8.270 nan 0.000 0.453 473 E N 3.785 124.142 120.200 0.262 0.000 2.383 473 E HA 0.370 4.720 4.350 -0.000 0.000 0.264 473 E C -0.416 176.287 176.600 0.171 0.000 1.050 473 E CA 0.223 56.728 56.400 0.176 0.000 0.896 473 E CB 0.761 30.556 29.700 0.158 0.000 0.982 473 E HN 0.609 nan 8.360 nan 0.000 0.424 474 M N 1.474 121.172 119.600 0.164 0.000 2.569 474 M HA 0.416 4.896 4.480 -0.000 0.000 0.279 474 M C -1.417 174.961 176.300 0.129 0.000 1.253 474 M CA -1.044 54.363 55.300 0.179 0.000 0.867 474 M CB 1.274 34.030 32.600 0.260 0.000 1.727 474 M HN 0.187 nan 8.290 nan 0.000 0.467 475 L N 2.136 123.449 121.223 0.149 0.000 2.307 475 L HA 0.539 4.879 4.340 -0.000 0.000 0.284 475 L C -0.683 176.216 176.870 0.048 0.000 1.023 475 L CA -0.043 54.880 54.840 0.139 0.000 0.810 475 L CB 1.613 43.818 42.059 0.244 0.000 1.231 475 L HN 0.710 nan 8.230 nan 0.000 0.423 476 N N 2.901 121.579 118.700 -0.037 0.000 2.417 476 N HA 0.586 5.326 4.740 -0.000 0.000 0.274 476 N C -1.700 173.661 175.510 -0.250 0.000 0.987 476 N CA -0.308 52.598 53.050 -0.240 0.000 0.912 476 N CB 0.754 39.093 38.487 -0.247 0.000 1.177 476 N HN 0.384 nan 8.380 nan 0.000 0.490 477 Y N -0.107 120.079 120.300 -0.191 0.000 2.581 477 Y HA 0.544 5.094 4.550 -0.000 0.000 0.337 477 Y C -1.316 174.542 175.900 -0.070 0.000 1.108 477 Y CA -1.385 56.622 58.100 -0.156 0.000 1.033 477 Y CB 0.628 39.052 38.460 -0.059 0.000 1.318 477 Y HN 0.022 nan 8.280 nan 0.000 0.459 478 V N 4.593 124.545 119.914 0.064 0.000 2.353 478 V HA 0.293 4.413 4.120 -0.000 0.000 0.264 478 V C 0.299 176.301 176.094 -0.153 0.000 1.049 478 V CA -0.279 61.852 62.300 -0.280 0.000 0.896 478 V CB 0.104 31.610 31.823 -0.528 0.000 1.025 478 V HN 0.736 nan 8.190 nan 0.000 0.475 479 L N 3.015 124.209 121.223 -0.049 0.000 2.970 479 L HA 0.684 5.024 4.340 -0.000 0.000 0.214 479 L C 0.454 177.335 176.870 0.018 0.000 1.317 479 L CA -0.365 54.507 54.840 0.053 0.000 1.187 479 L CB 1.085 43.220 42.059 0.128 0.000 2.155 479 L HN 0.600 nan 8.230 nan 0.000 0.554 480 S N -1.198 114.545 115.700 0.072 0.000 2.543 480 S HA 0.493 4.963 4.470 -0.000 0.000 0.271 480 S C -2.673 171.986 174.600 0.097 0.000 1.148 480 S CA -1.001 57.247 58.200 0.080 0.000 0.914 480 S CB 1.949 65.182 63.200 0.054 0.000 1.096 480 S HN 0.114 nan 8.310 nan 0.000 0.471 481 P HA 0.447 nan 4.420 nan 0.000 0.271 481 P C -1.276 176.014 177.300 -0.016 0.000 1.244 481 P CA -0.072 63.009 63.100 -0.031 0.000 0.793 481 P CB 0.272 31.885 31.700 -0.144 0.000 0.984 482 F N -0.394 119.361 119.950 -0.325 0.000 2.678 482 F HA 0.404 4.931 4.527 -0.000 0.000 0.308 482 F C -1.589 173.910 175.800 -0.502 0.000 1.118 482 F CA -0.677 57.049 58.000 -0.457 0.000 0.959 482 F CB 1.155 39.841 39.000 -0.524 0.000 1.305 482 F HN 0.149 nan 8.300 nan 0.000 0.443 483 Y N 4.547 124.383 120.300 -0.773 0.000 2.504 483 Y HA 0.413 4.963 4.550 -0.000 0.000 0.339 483 Y C -0.809 174.799 175.900 -0.486 0.000 0.974 483 Y CA -0.758 57.068 58.100 -0.456 0.000 1.232 483 Y CB 0.119 38.288 38.460 -0.485 0.000 1.108 483 Y HN 0.369 nan 8.280 nan 0.000 0.509 484 Y N 1.090 121.450 120.300 0.101 0.000 2.392 484 Y HA 0.343 4.893 4.550 -0.000 0.000 0.323 484 Y C -0.085 175.813 175.900 -0.002 0.000 1.291 484 Y CA -0.762 57.396 58.100 0.097 0.000 1.345 484 Y CB 0.728 39.296 38.460 0.180 0.000 1.320 484 Y HN 0.398 nan 8.280 nan 0.000 0.518 485 Y N 0.230 120.704 120.300 0.291 0.000 2.340 485 Y HA 0.420 4.970 4.550 -0.000 0.000 0.327 485 Y C -0.043 175.920 175.900 0.105 0.000 1.321 485 Y CA -0.950 57.234 58.100 0.140 0.000 1.433 485 Y CB 0.734 39.246 38.460 0.087 0.000 1.373 485 Y HN 0.425 nan 8.280 nan 0.000 0.538 486 Q N 0.087 120.013 119.800 0.210 0.000 2.501 486 Q HA 0.443 4.783 4.340 -0.000 0.000 0.288 486 Q C -1.665 174.306 176.000 -0.049 0.000 1.051 486 Q CA -1.228 54.610 55.803 0.058 0.000 0.788 486 Q CB 2.617 31.368 28.738 0.022 0.000 1.469 486 Q HN 0.365 nan 8.270 nan 0.000 0.416 487 I N 1.593 122.095 120.570 -0.114 0.000 2.529 487 I HA 0.001 4.171 4.170 -0.000 0.000 0.284 487 I C 0.284 176.179 176.117 -0.370 0.000 1.082 487 I CA 0.307 61.485 61.300 -0.202 0.000 1.406 487 I CB 0.507 38.400 38.000 -0.178 0.000 1.405 487 I HN 0.429 nan 8.210 nan 0.000 0.548 488 E N 8.559 128.439 120.200 -0.533 0.000 2.585 488 E HA -0.071 4.279 4.350 -0.000 0.000 0.252 488 E C -1.339 174.578 176.600 -1.138 0.000 0.981 488 E CA -0.750 55.026 56.400 -1.040 0.000 0.943 488 E CB 0.281 29.144 29.700 -1.395 0.000 0.923 488 E HN 0.423 nan 8.360 nan 0.000 0.486 489 P HA -0.202 nan 4.420 nan 0.000 0.216 489 P C 0.766 177.437 177.300 -1.048 0.000 1.150 489 P CA 1.488 63.949 63.100 -1.065 0.000 0.843 489 P CB -0.199 30.643 31.700 -1.430 0.000 0.787 490 W N 0.707 121.436 121.300 -0.951 0.000 2.982 490 W HA 0.153 4.813 4.660 -0.000 0.000 0.239 490 W C 1.423 177.894 176.519 -0.080 0.000 1.303 490 W CA 0.117 57.192 57.345 -0.451 0.000 1.448 490 W CB -1.204 28.181 29.460 -0.124 0.000 1.133 490 W HN -0.020 nan 8.180 nan 0.000 0.698 491 K N 0.060 120.274 120.400 -0.310 0.000 2.344 491 K HA 0.061 4.381 4.320 -0.000 0.000 0.200 491 K C 0.976 177.528 176.600 -0.080 0.000 1.132 491 K CA 1.066 57.276 56.287 -0.129 0.000 0.935 491 K CB -0.093 32.264 32.500 -0.238 0.000 1.089 491 K HN 0.049 nan 8.250 nan 0.000 0.496 492 T N 0.006 114.462 114.554 -0.163 0.000 3.379 492 T HA 0.247 4.597 4.350 -0.000 0.000 0.274 492 T C -0.775 173.911 174.700 -0.024 0.000 1.555 492 T CA -0.527 61.516 62.100 -0.096 0.000 1.297 492 T CB -0.398 68.391 68.868 -0.131 0.000 1.132 492 T HN 0.163 nan 8.240 nan 0.000 0.722 493 H N 0.930 119.948 119.070 -0.087 0.000 3.029 493 H HA 0.560 5.116 4.556 -0.000 0.000 0.358 493 H C -1.840 173.472 175.328 -0.026 0.000 1.129 493 H CA -1.116 54.881 56.048 -0.085 0.000 1.230 493 H CB 1.052 30.752 29.762 -0.103 0.000 1.827 493 H HN 0.327 nan 8.280 nan 0.000 0.530 494 I N 3.747 123.919 120.570 -0.663 0.000 2.382 494 I HA 0.287 4.457 4.170 -0.000 0.000 0.286 494 I C -0.498 175.320 176.117 -0.498 0.000 1.002 494 I CA -0.677 60.423 61.300 -0.333 0.000 1.135 494 I CB 0.184 38.077 38.000 -0.179 0.000 1.288 494 I HN 0.445 nan 8.210 nan 0.000 0.448 495 W N 0.000 121.197 121.300 -0.172 0.000 2.388 495 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 495 W CA 0.000 57.338 57.345 -0.012 0.000 1.226 495 W CB 0.000 29.539 29.460 0.131 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535