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 1pjn_1_B DATA FIRST_RESID 72 DATA SEQUENCE GTVNWSVEDI VKGINSNNLE SQLQATQAAR KLLSREKQPP IDNIIRAGLI DATA SEQUENCE PKFVSFLGKT DCSPIQFESA WALTNIASGT SEQTKAVVDG GAIPAFISLL DATA SEQUENCE ASPHAHISEQ AVWALGNIAG DGSAFRDLVI KHGAIDPLLA LLAVPDLSTL DATA SEQUENCE ACGYLRNLTW TLSNLCRNKN PAPPLDAVEQ ILPTLVRLLH HNDPEVLADS DATA SEQUENCE CWAISYLTDG PNERIEMVVK KGVVPQLVKL LGATELPIVT PALRAIGNIV DATA SEQUENCE TGTDEQTQKV IDAGALAVFP SLLTNPKTNI QKEATWTMSN ITAGRQDQIQ DATA SEQUENCE QVVNHGLVPF LVGVLSKADF KTQKEAAWAI TNYTSGGTVE QIVYLVHCGI DATA SEQUENCE IEPLMNLLSA KDTKIIQVIL DAISNIFQAA EKLGETEKLS IMIEECGGLD DATA SEQUENCE KIEALQRHEN ESVYKASLNL IEKYFS 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 72 G HA2 0.000 nan 3.960 nan 0.000 0.244 72 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 72 G C 0.000 175.213 174.900 0.521 0.000 0.946 72 G CA 0.000 45.269 45.100 0.282 0.000 0.502 73 T N -2.753 111.957 114.554 0.260 0.000 3.641 73 T HA 0.466 4.816 4.350 0.000 0.000 0.313 73 T C -0.442 174.166 174.700 -0.154 0.000 0.952 73 T CA -0.157 61.840 62.100 -0.171 0.000 1.004 73 T CB 0.861 69.563 68.868 -0.276 0.000 1.209 73 T HN 0.211 nan 8.240 nan 0.000 0.493 74 V N 2.763 122.749 119.914 0.120 0.000 2.417 74 V HA 0.560 4.681 4.120 0.000 0.000 0.291 74 V C 0.411 176.621 176.094 0.193 0.000 1.024 74 V CA -0.539 61.811 62.300 0.084 0.000 0.861 74 V CB 1.096 32.957 31.823 0.062 0.000 0.985 74 V HN 0.754 nan 8.190 nan 0.000 0.436 75 N N 4.217 122.986 118.700 0.114 0.000 2.705 75 N HA -0.206 4.534 4.740 0.000 0.000 0.255 75 N C -0.826 174.829 175.510 0.243 0.000 1.008 75 N CA 0.507 53.634 53.050 0.129 0.000 0.742 75 N CB -0.541 37.993 38.487 0.079 0.000 0.906 75 N HN 0.566 nan 8.380 nan 0.000 0.541 76 W N 0.552 121.835 121.300 -0.028 0.000 2.129 76 W HA 0.389 5.049 4.660 0.001 0.000 0.349 76 W C 1.072 177.582 176.519 -0.015 0.000 1.279 76 W CA -0.326 57.007 57.345 -0.020 0.000 1.306 76 W CB 0.274 29.724 29.460 -0.018 0.000 1.140 76 W HN 0.302 nan 8.180 nan 0.000 0.613 77 S N -0.122 115.692 115.700 0.190 0.000 2.610 77 S HA 0.265 4.735 4.470 0.000 0.000 0.273 77 S C 0.530 175.217 174.600 0.144 0.000 1.274 77 S CA -0.804 57.459 58.200 0.106 0.000 1.023 77 S CB 1.372 64.588 63.200 0.026 0.000 0.962 77 S HN 0.291 nan 8.310 nan 0.000 0.523 78 V N 2.415 122.389 119.914 0.100 0.000 2.380 78 V HA -0.237 3.884 4.120 0.000 0.000 0.251 78 V C 2.754 178.901 176.094 0.088 0.000 1.063 78 V CA 2.414 64.770 62.300 0.094 0.000 1.055 78 V CB -1.442 30.415 31.823 0.056 0.000 0.657 78 V HN 1.050 nan 8.190 nan 0.000 0.455 79 E N -0.168 120.067 120.200 0.058 0.000 2.106 79 E HA -0.242 4.108 4.350 0.000 0.000 0.192 79 E C 1.588 178.220 176.600 0.053 0.000 0.984 79 E CA 1.503 57.926 56.400 0.038 0.000 0.806 79 E CB -0.371 29.334 29.700 0.009 0.000 0.750 79 E HN 0.501 nan 8.360 nan 0.000 0.458 80 D N 1.302 121.737 120.400 0.058 0.000 2.117 80 D HA -0.069 4.571 4.640 0.000 0.000 0.198 80 D C 2.104 178.582 176.300 0.296 0.000 0.982 80 D CA 0.874 54.892 54.000 0.029 0.000 0.828 80 D CB -0.159 40.506 40.800 -0.223 0.000 0.967 80 D HN 0.259 nan 8.370 nan 0.000 0.464 81 I N 0.433 121.265 120.570 0.436 0.000 2.208 81 I HA -0.244 3.927 4.170 0.000 0.000 0.245 81 I C 2.322 178.566 176.117 0.213 0.000 1.097 81 I CA 0.688 62.222 61.300 0.390 0.000 1.363 81 I CB -0.140 38.000 38.000 0.232 0.000 1.051 81 I HN -0.089 nan 8.210 nan 0.000 0.413 82 V N 0.494 120.485 119.914 0.129 0.000 2.407 82 V HA -0.247 3.873 4.120 0.000 0.000 0.248 82 V C 2.552 178.688 176.094 0.071 0.000 1.055 82 V CA 1.518 63.854 62.300 0.059 0.000 1.049 82 V CB -0.697 31.140 31.823 0.023 0.000 0.662 82 V HN 0.335 nan 8.190 nan 0.000 0.455 83 K N 0.739 121.191 120.400 0.087 0.000 2.032 83 K HA -0.140 4.180 4.320 0.000 0.000 0.209 83 K C 2.204 178.864 176.600 0.100 0.000 1.048 83 K CA 1.812 58.140 56.287 0.067 0.000 0.927 83 K CB -1.003 31.519 32.500 0.037 0.000 0.712 83 K HN 0.521 nan 8.250 nan 0.000 0.441 84 G N 0.835 109.743 108.800 0.180 0.000 2.394 84 G HA2 -0.180 3.780 3.960 0.000 0.000 0.214 84 G HA3 -0.180 3.780 3.960 0.000 0.000 0.214 84 G C 1.737 176.725 174.900 0.146 0.000 1.176 84 G CA 0.492 45.709 45.100 0.195 0.000 0.786 84 G HN 0.265 nan 8.290 nan 0.000 0.533 85 I N 0.738 121.400 120.570 0.152 0.000 2.454 85 I HA -0.155 4.015 4.170 0.000 0.000 0.254 85 I C 2.209 178.409 176.117 0.139 0.000 1.156 85 I CA 0.897 62.304 61.300 0.178 0.000 1.433 85 I CB -0.159 37.927 38.000 0.144 0.000 1.082 85 I HN 0.221 nan 8.210 nan 0.000 0.432 86 N N 0.036 118.784 118.700 0.081 0.000 2.412 86 N HA -0.025 4.716 4.740 0.000 0.000 0.184 86 N C 0.712 176.254 175.510 0.054 0.000 1.101 86 N CA -0.039 53.042 53.050 0.051 0.000 0.881 86 N CB 0.289 38.790 38.487 0.023 0.000 0.969 86 N HN 0.287 nan 8.380 nan 0.000 0.459 87 S N 0.301 116.040 115.700 0.065 0.000 2.600 87 S HA 0.153 4.624 4.470 0.000 0.000 0.265 87 S C 0.358 174.989 174.600 0.051 0.000 1.325 87 S CA -0.486 57.745 58.200 0.051 0.000 1.002 87 S CB 0.783 64.015 63.200 0.053 0.000 0.921 87 S HN 0.052 nan 8.310 nan 0.000 0.554 88 N N 1.638 120.361 118.700 0.037 0.000 2.575 88 N HA 0.249 4.990 4.740 0.000 0.000 0.275 88 N C -0.871 174.656 175.510 0.028 0.000 1.202 88 N CA -0.081 52.990 53.050 0.035 0.000 0.945 88 N CB -0.281 38.221 38.487 0.026 0.000 1.247 88 N HN 0.542 nan 8.380 nan 0.000 0.510 89 N N 1.104 119.820 118.700 0.027 0.000 2.531 89 N HA 0.087 4.828 4.740 0.000 0.000 0.268 89 N C 0.574 176.079 175.510 -0.008 0.000 1.023 89 N CA -0.376 52.681 53.050 0.013 0.000 0.896 89 N CB 1.061 39.558 38.487 0.018 0.000 1.233 89 N HN 0.017 nan 8.380 nan 0.000 0.512 90 L N 3.472 124.680 121.223 -0.026 0.000 2.043 90 L HA -0.104 4.236 4.340 0.000 0.000 0.212 90 L C 1.837 178.648 176.870 -0.100 0.000 1.075 90 L CA 1.956 56.748 54.840 -0.079 0.000 0.752 90 L CB -0.059 41.959 42.059 -0.068 0.000 0.891 90 L HN 0.547 nan 8.230 nan 0.000 0.432 91 E N -0.746 119.421 120.200 -0.055 0.000 2.106 91 E HA -0.123 4.227 4.350 0.000 0.000 0.192 91 E C 2.285 178.865 176.600 -0.033 0.000 0.984 91 E CA 1.297 57.669 56.400 -0.047 0.000 0.806 91 E CB -0.225 29.462 29.700 -0.020 0.000 0.750 91 E HN 0.524 nan 8.360 nan 0.000 0.458 92 S N 1.292 116.989 115.700 -0.005 0.000 2.382 92 S HA -0.158 4.313 4.470 0.000 0.000 0.228 92 S C 1.931 176.543 174.600 0.021 0.000 1.027 92 S CA 0.989 59.212 58.200 0.039 0.000 0.991 92 S CB -0.114 63.122 63.200 0.060 0.000 0.823 92 S HN 0.320 nan 8.310 nan 0.000 0.469 93 Q N 0.250 120.031 119.800 -0.033 0.000 2.167 93 Q HA -0.028 4.312 4.340 0.000 0.000 0.202 93 Q C 2.197 178.091 176.000 -0.177 0.000 0.970 93 Q CA 0.851 56.609 55.803 -0.074 0.000 0.855 93 Q CB -0.296 28.343 28.738 -0.167 0.000 0.911 93 Q HN 0.374 nan 8.270 nan 0.000 0.438 94 L N 1.018 122.119 121.223 -0.202 0.000 2.027 94 L HA -0.199 4.141 4.340 0.000 0.000 0.206 94 L C 2.121 178.891 176.870 -0.166 0.000 1.074 94 L CA 1.797 56.517 54.840 -0.200 0.000 0.745 94 L CB -0.509 41.457 42.059 -0.155 0.000 0.898 94 L HN 0.140 nan 8.230 nan 0.000 0.433 95 Q N 0.123 119.843 119.800 -0.134 0.000 2.050 95 Q HA -0.127 4.214 4.340 0.000 0.000 0.202 95 Q C 2.296 178.046 176.000 -0.417 0.000 0.980 95 Q CA 1.715 57.404 55.803 -0.190 0.000 0.840 95 Q CB -0.946 27.767 28.738 -0.041 0.000 0.898 95 Q HN 0.639 nan 8.270 nan 0.000 0.424 96 A N 1.163 123.802 122.820 -0.303 0.000 1.933 96 A HA -0.138 4.182 4.320 0.000 0.000 0.218 96 A C 2.364 179.799 177.584 -0.249 0.000 1.175 96 A CA 1.917 53.725 52.037 -0.381 0.000 0.628 96 A CB -0.854 18.167 19.000 0.035 0.000 0.814 96 A HN 0.392 nan 8.150 nan 0.000 0.444 97 T N -0.527 113.970 114.554 -0.096 0.000 2.777 97 T HA -0.181 4.170 4.350 0.000 0.000 0.266 97 T C 2.082 176.649 174.700 -0.221 0.000 1.040 97 T CA 1.589 63.693 62.100 0.007 0.000 1.141 97 T CB -0.240 68.669 68.868 0.070 0.000 0.868 97 T HN 0.673 nan 8.240 nan 0.000 0.444 98 Q N 0.608 120.232 119.800 -0.293 0.000 2.124 98 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 98 Q C 2.429 178.157 176.000 -0.453 0.000 0.977 98 Q CA 1.459 57.045 55.803 -0.361 0.000 0.850 98 Q CB -0.283 28.281 28.738 -0.290 0.000 0.901 98 Q HN 0.541 nan 8.270 nan 0.000 0.429 99 A N 0.737 123.207 122.820 -0.583 0.000 1.902 99 A HA -0.114 4.206 4.320 0.000 0.000 0.217 99 A C 2.288 179.626 177.584 -0.409 0.000 1.181 99 A CA 1.641 53.257 52.037 -0.701 0.000 0.623 99 A CB -0.971 17.151 19.000 -1.463 0.000 0.818 99 A HN 0.567 nan 8.150 nan 0.000 0.443 100 A N -0.095 122.550 122.820 -0.291 0.000 1.902 100 A HA -0.192 4.129 4.320 0.000 0.000 0.217 100 A C 2.282 179.706 177.584 -0.267 0.000 1.181 100 A CA 1.753 53.709 52.037 -0.136 0.000 0.623 100 A CB -0.568 18.495 19.000 0.105 0.000 0.818 100 A HN 0.557 nan 8.150 nan 0.000 0.443 101 R N 0.138 120.380 120.500 -0.429 0.000 2.105 101 R HA -0.160 4.180 4.340 0.000 0.000 0.239 101 R C 1.809 177.725 176.300 -0.641 0.000 1.135 101 R CA 1.926 57.642 56.100 -0.641 0.000 0.967 101 R CB -0.283 29.499 30.300 -0.862 0.000 0.861 101 R HN 0.538 nan 8.270 nan 0.000 0.442 102 K N 0.277 120.377 120.400 -0.500 0.000 2.155 102 K HA -0.027 4.293 4.320 0.000 0.000 0.203 102 K C 2.175 178.632 176.600 -0.238 0.000 1.052 102 K CA 0.912 56.968 56.287 -0.385 0.000 0.948 102 K CB -0.002 32.313 32.500 -0.307 0.000 0.728 102 K HN 0.211 nan 8.250 nan 0.000 0.448 103 L N 0.730 121.840 121.223 -0.189 0.000 2.027 103 L HA -0.146 4.194 4.340 0.000 0.000 0.206 103 L C 2.018 178.828 176.870 -0.101 0.000 1.074 103 L CA 1.095 55.874 54.840 -0.100 0.000 0.745 103 L CB -0.316 41.712 42.059 -0.051 0.000 0.898 103 L HN 0.167 nan 8.230 nan 0.000 0.433 104 L N -1.237 119.901 121.223 -0.142 0.000 2.551 104 L HA -0.078 4.262 4.340 0.000 0.000 0.228 104 L C 1.871 178.677 176.870 -0.106 0.000 1.153 104 L CA 0.341 55.112 54.840 -0.114 0.000 0.851 104 L CB -0.254 41.722 42.059 -0.137 0.000 0.959 104 L HN 0.121 nan 8.230 nan 0.000 0.451 105 S N -1.092 114.520 115.700 -0.148 0.000 2.523 105 S HA 0.101 4.572 4.470 0.000 0.000 0.217 105 S C 0.697 175.280 174.600 -0.028 0.000 0.996 105 S CA -0.529 57.628 58.200 -0.072 0.000 0.921 105 S CB 0.095 63.196 63.200 -0.165 0.000 0.829 105 S HN 0.423 nan 8.310 nan 0.000 0.495 106 R N 1.731 122.205 120.500 -0.045 0.000 2.590 106 R HA 0.210 4.550 4.340 0.000 0.000 0.274 106 R C 0.879 177.181 176.300 0.002 0.000 1.061 106 R CA -0.029 56.059 56.100 -0.019 0.000 1.081 106 R CB 0.372 30.659 30.300 -0.022 0.000 0.984 106 R HN -0.120 nan 8.270 nan 0.000 0.448 107 E N 1.790 121.996 120.200 0.011 0.000 2.257 107 E HA -0.275 4.076 4.350 0.000 0.000 0.229 107 E C -0.421 176.189 176.600 0.017 0.000 1.089 107 E CA 2.553 58.964 56.400 0.018 0.000 0.947 107 E CB 0.145 29.855 29.700 0.016 0.000 0.808 107 E HN 0.736 nan 8.360 nan 0.000 0.471 108 K N -1.764 118.644 120.400 0.013 0.000 2.562 108 K HA 0.287 4.607 4.320 0.000 0.000 0.267 108 K C -0.842 175.765 176.600 0.011 0.000 0.938 108 K CA -0.463 55.832 56.287 0.013 0.000 0.840 108 K CB 1.350 33.859 32.500 0.014 0.000 1.390 108 K HN 0.066 nan 8.250 nan 0.000 0.428 109 Q N -0.186 119.621 119.800 0.012 0.000 2.479 109 Q HA -0.087 4.253 4.340 0.000 0.000 0.282 109 Q C -2.218 173.788 176.000 0.009 0.000 1.279 109 Q CA 0.297 56.108 55.803 0.012 0.000 0.815 109 Q CB -1.438 27.307 28.738 0.011 0.000 1.204 109 Q HN 0.616 nan 8.270 nan 0.000 0.444 110 P HA 0.015 nan 4.420 nan 0.000 0.263 110 P C -2.257 175.047 177.300 0.008 0.000 1.195 110 P CA -0.647 62.454 63.100 0.001 0.000 0.762 110 P CB 0.278 31.975 31.700 -0.004 0.000 0.799 111 P HA 0.107 nan 4.420 nan 0.000 0.235 111 P C 1.156 178.470 177.300 0.024 0.000 1.720 111 P CA -0.002 63.108 63.100 0.017 0.000 1.003 111 P CB -0.380 31.332 31.700 0.020 0.000 1.968 112 I N 0.191 120.776 120.570 0.024 0.000 2.202 112 I HA -0.196 3.975 4.170 0.000 0.000 0.242 112 I C 1.894 178.032 176.117 0.036 0.000 1.091 112 I CA 1.358 62.678 61.300 0.033 0.000 1.368 112 I CB -0.421 37.597 38.000 0.031 0.000 1.058 112 I HN 0.091 nan 8.210 nan 0.000 0.410 113 D N 0.995 121.412 120.400 0.029 0.000 2.117 113 D HA -0.151 4.490 4.640 0.000 0.000 0.197 113 D C 1.898 178.211 176.300 0.022 0.000 0.987 113 D CA 1.110 55.125 54.000 0.025 0.000 0.829 113 D CB -0.462 40.351 40.800 0.021 0.000 0.961 113 D HN 0.317 nan 8.370 nan 0.000 0.460 114 N N 0.847 119.560 118.700 0.022 0.000 2.166 114 N HA -0.112 4.629 4.740 0.000 0.000 0.186 114 N C 1.893 177.416 175.510 0.021 0.000 1.019 114 N CA 0.471 53.532 53.050 0.020 0.000 0.856 114 N CB -0.115 38.386 38.487 0.022 0.000 0.993 114 N HN 0.218 nan 8.380 nan 0.000 0.426 115 I N 1.450 122.040 120.570 0.034 0.000 2.252 115 I HA -0.140 4.030 4.170 0.000 0.000 0.245 115 I C 2.238 178.366 176.117 0.018 0.000 1.102 115 I CA 0.695 62.023 61.300 0.045 0.000 1.385 115 I CB -0.844 37.217 38.000 0.101 0.000 1.064 115 I HN 0.065 nan 8.210 nan 0.000 0.414 116 I N 0.492 121.077 120.570 0.025 0.000 2.202 116 I HA -0.276 3.894 4.170 0.000 0.000 0.242 116 I C 2.735 178.844 176.117 -0.013 0.000 1.091 116 I CA 1.144 62.449 61.300 0.009 0.000 1.368 116 I CB -0.430 37.583 38.000 0.022 0.000 1.058 116 I HN 0.191 nan 8.210 nan 0.000 0.410 117 R N 1.060 121.557 120.500 -0.006 0.000 2.105 117 R HA -0.128 4.213 4.340 0.000 0.000 0.239 117 R C 2.282 178.567 176.300 -0.025 0.000 1.135 117 R CA 1.463 57.556 56.100 -0.012 0.000 0.967 117 R CB -0.558 29.740 30.300 -0.003 0.000 0.861 117 R HN 0.346 nan 8.270 nan 0.000 0.442 118 A N 0.650 123.453 122.820 -0.029 0.000 2.259 118 A HA 0.040 4.360 4.320 0.000 0.000 0.212 118 A C 1.437 178.975 177.584 -0.078 0.000 1.178 118 A CA 1.023 53.034 52.037 -0.044 0.000 0.734 118 A CB -0.581 18.397 19.000 -0.037 0.000 0.774 118 A HN 0.526 nan 8.150 nan 0.000 0.481 119 G N -1.299 107.449 108.800 -0.085 0.000 2.221 119 G HA2 -0.261 3.699 3.960 0.000 0.000 0.265 119 G HA3 -0.261 3.699 3.960 0.000 0.000 0.265 119 G C 0.573 175.352 174.900 -0.202 0.000 1.041 119 G CA 0.487 45.519 45.100 -0.115 0.000 0.807 119 G HN 0.488 nan 8.290 nan 0.000 0.502 120 L N -0.623 120.436 121.223 -0.272 0.000 2.341 120 L HA 0.190 4.531 4.340 0.000 0.000 0.214 120 L C 2.940 179.391 176.870 -0.698 0.000 1.115 120 L CA 0.509 55.004 54.840 -0.576 0.000 0.820 120 L CB -0.302 41.324 42.059 -0.722 0.000 0.944 120 L HN 0.412 nan 8.230 nan 0.000 0.452 121 I N 0.627 121.019 120.570 -0.295 0.000 2.151 121 I HA -0.258 3.912 4.170 0.000 0.000 0.243 121 I C -0.311 175.718 176.117 -0.146 0.000 1.080 121 I CA 1.774 63.019 61.300 -0.093 0.000 1.339 121 I CB -1.342 36.654 38.000 -0.006 0.000 1.039 121 I HN 0.224 nan 8.210 nan 0.000 0.409 122 P HA -0.157 nan 4.420 nan 0.000 0.217 122 P C 1.329 178.448 177.300 -0.301 0.000 1.150 122 P CA 1.275 64.260 63.100 -0.193 0.000 0.832 122 P CB -0.029 31.573 31.700 -0.163 0.000 0.787 123 K N -1.214 118.917 120.400 -0.449 0.000 2.025 123 K HA -0.063 4.257 4.320 0.000 0.000 0.207 123 K C 2.000 178.049 176.600 -0.918 0.000 1.049 123 K CA 1.308 57.156 56.287 -0.732 0.000 0.933 123 K CB -1.296 30.770 32.500 -0.723 0.000 0.714 123 K HN 0.162 nan 8.250 nan 0.000 0.438 124 F N 1.538 121.187 119.950 -0.502 0.000 2.095 124 F HA -0.150 4.378 4.527 0.001 0.000 0.298 124 F C 2.570 178.217 175.800 -0.256 0.000 1.104 124 F CA 0.396 58.222 58.000 -0.289 0.000 1.232 124 F CB -1.354 37.577 39.000 -0.116 0.000 0.987 124 F HN -0.275 nan 8.300 nan 0.000 0.475 125 V N 0.221 120.104 119.914 -0.052 0.000 2.392 125 V HA -0.293 3.828 4.120 0.000 0.000 0.249 125 V C 2.508 178.518 176.094 -0.141 0.000 1.059 125 V CA 2.078 64.299 62.300 -0.132 0.000 1.051 125 V CB -1.166 30.579 31.823 -0.129 0.000 0.658 125 V HN 0.516 nan 8.190 nan 0.000 0.455 126 S N -0.246 115.337 115.700 -0.194 0.000 2.402 126 S HA -0.144 4.326 4.470 0.000 0.000 0.229 126 S C 1.877 176.484 174.600 0.012 0.000 1.021 126 S CA 1.188 59.307 58.200 -0.135 0.000 0.974 126 S CB -0.611 62.472 63.200 -0.196 0.000 0.800 126 S HN 0.426 nan 8.310 nan 0.000 0.484 127 F N 2.092 122.046 119.950 0.007 0.000 2.293 127 F HA 0.241 4.769 4.527 0.000 0.000 0.300 127 F C 2.041 177.831 175.800 -0.017 0.000 1.086 127 F CA -0.479 57.529 58.000 0.013 0.000 1.375 127 F CB -1.013 38.022 39.000 0.057 0.000 1.045 127 F HN 0.200 nan 8.300 nan 0.000 0.516 128 L N -0.678 120.608 121.223 0.105 0.000 2.127 128 L HA -0.149 4.192 4.340 0.000 0.000 0.211 128 L C 2.342 179.219 176.870 0.012 0.000 1.089 128 L CA 1.420 56.254 54.840 -0.010 0.000 0.757 128 L CB -1.131 40.804 42.059 -0.206 0.000 0.899 128 L HN 0.216 nan 8.230 nan 0.000 0.434 129 G N -0.412 108.403 108.800 0.025 0.000 3.262 129 G HA2 -0.021 3.939 3.960 0.000 0.000 0.228 129 G HA3 -0.021 3.939 3.960 0.000 0.000 0.228 129 G C 0.574 175.507 174.900 0.055 0.000 1.197 129 G CA -0.265 44.852 45.100 0.029 0.000 0.819 129 G HN 0.180 nan 8.290 nan 0.000 0.531 130 K N 1.287 121.733 120.400 0.077 0.000 2.180 130 K HA 0.177 4.498 4.320 0.000 0.000 0.250 130 K C 1.006 177.635 176.600 0.049 0.000 1.135 130 K CA -0.222 56.105 56.287 0.067 0.000 1.037 130 K CB 0.664 33.209 32.500 0.075 0.000 1.624 130 K HN 0.019 nan 8.250 nan 0.000 0.382 131 T N 1.048 115.631 114.554 0.048 0.000 2.759 131 T HA -0.176 4.174 4.350 0.000 0.000 0.269 131 T C 1.412 176.142 174.700 0.051 0.000 1.042 131 T CA 1.780 63.913 62.100 0.054 0.000 1.140 131 T CB -0.141 68.757 68.868 0.050 0.000 0.864 131 T HN 0.615 nan 8.240 nan 0.000 0.455 132 D N 0.288 120.711 120.400 0.038 0.000 2.263 132 D HA -0.076 4.565 4.640 0.000 0.000 0.208 132 D C 1.027 177.338 176.300 0.019 0.000 0.971 132 D CA 0.438 54.455 54.000 0.030 0.000 0.867 132 D CB -0.623 40.190 40.800 0.022 0.000 0.929 132 D HN 0.428 nan 8.370 nan 0.000 0.492 133 C N 2.044 121.349 119.300 0.008 0.000 3.188 133 C HA 0.407 4.867 4.460 0.000 0.000 0.230 133 C C 1.987 176.964 174.990 -0.021 0.000 1.239 133 C CA -0.063 58.945 59.018 -0.017 0.000 1.494 133 C CB -1.129 26.584 27.740 -0.046 0.000 1.798 133 C HN 0.335 nan 8.230 nan 0.000 0.458 134 S N 3.104 118.786 115.700 -0.031 0.000 2.402 134 S HA -0.103 4.368 4.470 0.000 0.000 0.233 134 S C -0.799 173.764 174.600 -0.062 0.000 1.030 134 S CA 1.814 59.963 58.200 -0.085 0.000 1.003 134 S CB -1.175 61.848 63.200 -0.295 0.000 0.813 134 S HN 0.629 nan 8.310 nan 0.000 0.477 135 P HA 0.022 nan 4.420 nan 0.000 0.215 135 P C 1.611 178.952 177.300 0.068 0.000 1.153 135 P CA 0.848 63.977 63.100 0.047 0.000 0.853 135 P CB -0.117 31.590 31.700 0.012 0.000 0.788 136 I N -1.022 119.536 120.570 -0.020 0.000 2.830 136 I HA -0.200 3.970 4.170 0.000 0.000 0.263 136 I C 1.963 178.091 176.117 0.019 0.000 1.230 136 I CA 1.129 62.387 61.300 -0.069 0.000 1.480 136 I CB -0.080 37.776 38.000 -0.240 0.000 1.095 136 I HN -0.029 nan 8.210 nan 0.000 0.455 137 Q N -0.274 119.559 119.800 0.054 0.000 2.123 137 Q HA -0.202 4.138 4.340 0.000 0.000 0.199 137 Q C 2.026 178.105 176.000 0.131 0.000 0.966 137 Q CA 1.551 57.405 55.803 0.085 0.000 0.845 137 Q CB -0.110 28.667 28.738 0.065 0.000 0.907 137 Q HN 0.505 nan 8.270 nan 0.000 0.439 138 F N 2.061 122.000 119.950 -0.019 0.000 2.084 138 F HA -0.149 4.379 4.527 0.000 0.000 0.296 138 F C 2.055 177.910 175.800 0.090 0.000 1.111 138 F CA 1.310 59.321 58.000 0.018 0.000 1.224 138 F CB -0.089 38.926 39.000 0.024 0.000 0.991 138 F HN -0.057 nan 8.300 nan 0.000 0.471 139 E N 0.454 120.581 120.200 -0.122 0.000 2.058 139 E HA -0.208 4.142 4.350 0.000 0.000 0.194 139 E C 2.458 178.881 176.600 -0.294 0.000 0.997 139 E CA 1.803 58.028 56.400 -0.292 0.000 0.801 139 E CB -0.972 28.610 29.700 -0.196 0.000 0.746 139 E HN 0.540 nan 8.360 nan 0.000 0.450 140 S N 0.826 116.425 115.700 -0.167 0.000 2.423 140 S HA 0.001 4.472 4.470 0.000 0.000 0.231 140 S C 2.198 176.699 174.600 -0.166 0.000 1.014 140 S CA 1.011 59.069 58.200 -0.236 0.000 0.965 140 S CB -0.115 63.142 63.200 0.096 0.000 0.785 140 S HN 0.264 nan 8.310 nan 0.000 0.495 141 A N 1.160 123.968 122.820 -0.019 0.000 1.930 141 A HA -0.004 4.316 4.320 0.000 0.000 0.217 141 A C 1.907 179.545 177.584 0.089 0.000 1.175 141 A CA 1.198 53.348 52.037 0.189 0.000 0.627 141 A CB -1.144 18.018 19.000 0.270 0.000 0.815 141 A HN 0.765 nan 8.150 nan 0.000 0.443 142 W N 0.835 121.914 121.300 -0.368 0.000 2.409 142 W HA -0.008 4.653 4.660 0.001 0.000 0.299 142 W C 2.392 178.663 176.519 -0.414 0.000 1.203 142 W CA 1.352 58.408 57.345 -0.481 0.000 1.298 142 W CB -0.692 28.355 29.460 -0.688 0.000 1.127 142 W HN 0.385 nan 8.180 nan 0.000 0.528 143 A N 0.627 123.300 122.820 -0.245 0.000 1.902 143 A HA -0.178 4.142 4.320 0.000 0.000 0.217 143 A C 2.263 179.714 177.584 -0.223 0.000 1.181 143 A CA 1.850 53.648 52.037 -0.399 0.000 0.623 143 A CB -1.112 17.355 19.000 -0.889 0.000 0.818 143 A HN 0.293 nan 8.150 nan 0.000 0.443 144 L N -0.814 120.323 121.223 -0.144 0.000 2.201 144 L HA -0.131 4.209 4.340 0.000 0.000 0.212 144 L C 2.701 179.609 176.870 0.063 0.000 1.105 144 L CA 1.503 56.377 54.840 0.056 0.000 0.775 144 L CB -0.668 41.530 42.059 0.232 0.000 0.913 144 L HN 0.341 nan 8.230 nan 0.000 0.440 145 T N -0.517 114.030 114.554 -0.013 0.000 2.777 145 T HA -0.124 4.226 4.350 0.000 0.000 0.266 145 T C 1.657 176.286 174.700 -0.119 0.000 1.040 145 T CA 1.418 63.428 62.100 -0.150 0.000 1.141 145 T CB -0.158 68.476 68.868 -0.390 0.000 0.868 145 T HN 0.279 nan 8.240 nan 0.000 0.444 146 N N 0.866 119.515 118.700 -0.084 0.000 2.270 146 N HA 0.129 4.870 4.740 0.000 0.000 0.181 146 N C 1.746 177.253 175.510 -0.006 0.000 1.016 146 N CA 0.574 53.597 53.050 -0.045 0.000 0.870 146 N CB -0.303 38.169 38.487 -0.025 0.000 0.979 146 N HN 0.393 nan 8.380 nan 0.000 0.431 147 I N 0.405 120.977 120.570 0.003 0.000 2.252 147 I HA -0.162 4.009 4.170 0.000 0.000 0.245 147 I C 2.061 178.203 176.117 0.042 0.000 1.102 147 I CA 0.790 62.110 61.300 0.033 0.000 1.385 147 I CB -0.266 37.770 38.000 0.059 0.000 1.064 147 I HN 0.058 nan 8.210 nan 0.000 0.414 148 A N 0.621 123.464 122.820 0.038 0.000 2.070 148 A HA -0.175 4.145 4.320 0.000 0.000 0.220 148 A C 2.343 179.970 177.584 0.071 0.000 1.159 148 A CA 1.778 53.842 52.037 0.045 0.000 0.656 148 A CB -0.642 18.373 19.000 0.026 0.000 0.800 148 A HN 0.531 nan 8.150 nan 0.000 0.453 149 S N -0.758 114.983 115.700 0.068 0.000 2.603 149 S HA 0.302 4.772 4.470 0.000 0.000 0.220 149 S C 1.224 175.874 174.600 0.084 0.000 0.967 149 S CA 0.428 58.688 58.200 0.100 0.000 0.920 149 S CB -0.507 62.749 63.200 0.093 0.000 0.773 149 S HN 0.606 nan 8.310 nan 0.000 0.529 150 G N 1.862 110.703 108.800 0.068 0.000 2.735 150 G HA2 0.409 4.369 3.960 0.000 0.000 0.192 150 G HA3 0.409 4.369 3.960 0.000 0.000 0.192 150 G C 0.365 175.304 174.900 0.065 0.000 1.547 150 G CA 0.129 45.265 45.100 0.060 0.000 1.080 150 G HN 0.552 nan 8.290 nan 0.000 0.569 151 T N -2.600 111.989 114.554 0.058 0.000 2.698 151 T HA 0.259 4.609 4.350 0.000 0.000 0.295 151 T C 1.543 176.290 174.700 0.079 0.000 1.007 151 T CA 0.498 62.632 62.100 0.058 0.000 0.980 151 T CB 0.935 69.830 68.868 0.046 0.000 1.036 151 T HN 0.183 nan 8.240 nan 0.000 0.526 152 S N -0.145 115.600 115.700 0.075 0.000 2.383 152 S HA -0.084 4.386 4.470 0.000 0.000 0.227 152 S C 1.991 176.670 174.600 0.132 0.000 1.026 152 S CA 1.304 59.569 58.200 0.108 0.000 0.981 152 S CB -0.581 62.651 63.200 0.054 0.000 0.818 152 S HN 0.871 nan 8.310 nan 0.000 0.472 153 E N 1.572 121.825 120.200 0.087 0.000 2.077 153 E HA -0.137 4.213 4.350 0.000 0.000 0.193 153 E C 2.114 178.766 176.600 0.087 0.000 0.989 153 E CA 1.323 57.773 56.400 0.083 0.000 0.800 153 E CB -0.164 29.568 29.700 0.054 0.000 0.746 153 E HN 0.551 nan 8.360 nan 0.000 0.452 154 Q N -0.839 119.007 119.800 0.077 0.000 2.079 154 Q HA -0.097 4.243 4.340 0.000 0.000 0.200 154 Q C 2.204 178.247 176.000 0.072 0.000 0.974 154 Q CA 1.822 57.665 55.803 0.067 0.000 0.840 154 Q CB -0.133 28.640 28.738 0.058 0.000 0.898 154 Q HN 0.259 nan 8.270 nan 0.000 0.430 155 T N 1.377 115.988 114.554 0.095 0.000 2.746 155 T HA -0.176 4.174 4.350 0.000 0.000 0.267 155 T C 1.709 176.426 174.700 0.028 0.000 1.039 155 T CA 1.440 63.584 62.100 0.075 0.000 1.142 155 T CB -0.147 68.809 68.868 0.146 0.000 0.866 155 T HN 0.254 nan 8.240 nan 0.000 0.444 156 K N 1.204 121.706 120.400 0.170 0.000 2.063 156 K HA -0.095 4.225 4.320 0.000 0.000 0.208 156 K C 2.464 179.096 176.600 0.053 0.000 1.048 156 K CA 1.326 57.730 56.287 0.195 0.000 0.928 156 K CB -0.354 32.320 32.500 0.290 0.000 0.713 156 K HN 0.281 nan 8.250 nan 0.000 0.442 157 A N 0.589 123.440 122.820 0.051 0.000 1.940 157 A HA -0.126 4.195 4.320 0.000 0.000 0.219 157 A C 2.226 179.813 177.584 0.004 0.000 1.176 157 A CA 1.781 53.835 52.037 0.029 0.000 0.631 157 A CB -0.608 18.413 19.000 0.035 0.000 0.814 157 A HN 0.194 nan 8.150 nan 0.000 0.446 158 V N -0.501 119.411 119.914 -0.004 0.000 2.307 158 V HA -0.208 3.912 4.120 0.000 0.000 0.245 158 V C 2.579 178.637 176.094 -0.059 0.000 1.045 158 V CA 1.905 64.205 62.300 -0.001 0.000 1.024 158 V CB -0.738 31.102 31.823 0.029 0.000 0.651 158 V HN 0.378 nan 8.190 nan 0.000 0.449 159 V N 0.295 120.108 119.914 -0.168 0.000 2.295 159 V HA -0.267 3.853 4.120 0.000 0.000 0.246 159 V C 2.230 178.257 176.094 -0.113 0.000 1.049 159 V CA 2.223 64.375 62.300 -0.247 0.000 1.024 159 V CB -0.815 30.641 31.823 -0.612 0.000 0.648 159 V HN 0.524 nan 8.190 nan 0.000 0.447 160 D N 0.883 121.250 120.400 -0.055 0.000 2.221 160 D HA -0.115 4.525 4.640 0.000 0.000 0.204 160 D C 2.054 178.343 176.300 -0.019 0.000 0.982 160 D CA 1.456 55.452 54.000 -0.007 0.000 0.857 160 D CB -0.464 40.347 40.800 0.018 0.000 0.934 160 D HN 0.507 nan 8.370 nan 0.000 0.475 161 G N -0.963 107.817 108.800 -0.033 0.000 2.920 161 G HA2 0.233 4.194 3.960 0.000 0.000 0.208 161 G HA3 0.233 4.194 3.960 0.000 0.000 0.208 161 G C 1.165 176.033 174.900 -0.053 0.000 1.159 161 G CA 0.416 45.491 45.100 -0.043 0.000 0.784 161 G HN 0.444 nan 8.290 nan 0.000 0.535 162 G N -0.969 107.800 108.800 -0.051 0.000 2.132 162 G HA2 0.017 3.977 3.960 0.000 0.000 0.228 162 G HA3 0.017 3.977 3.960 0.000 0.000 0.228 162 G C 1.140 175.988 174.900 -0.086 0.000 1.000 162 G CA 0.790 45.859 45.100 -0.051 0.000 0.693 162 G HN 1.078 nan 8.290 nan 0.000 0.515 163 A N -0.301 122.462 122.820 -0.094 0.000 2.014 163 A HA 0.307 4.628 4.320 0.000 0.000 0.218 163 A C 2.361 179.922 177.584 -0.038 0.000 1.163 163 A CA 1.617 53.577 52.037 -0.129 0.000 0.652 163 A CB -0.242 18.750 19.000 -0.013 0.000 0.808 163 A HN 0.730 nan 8.150 nan 0.000 0.449 164 I N 0.604 121.133 120.570 -0.069 0.000 2.091 164 I HA -0.203 3.967 4.170 0.000 0.000 0.239 164 I C -0.252 175.818 176.117 -0.079 0.000 1.061 164 I CA 1.929 63.155 61.300 -0.122 0.000 1.317 164 I CB -1.201 36.507 38.000 -0.487 0.000 1.031 164 I HN 0.272 nan 8.210 nan 0.000 0.401 165 P HA -0.125 nan 4.420 nan 0.000 0.219 165 P C 1.408 178.726 177.300 0.031 0.000 1.150 165 P CA 1.863 64.997 63.100 0.056 0.000 0.814 165 P CB -0.010 31.778 31.700 0.148 0.000 0.787 166 A N -0.409 122.384 122.820 -0.045 0.000 1.902 166 A HA -0.176 4.145 4.320 0.000 0.000 0.217 166 A C 2.066 179.595 177.584 -0.092 0.000 1.181 166 A CA 1.389 53.361 52.037 -0.110 0.000 0.623 166 A CB -1.744 17.116 19.000 -0.233 0.000 0.818 166 A HN 0.025 nan 8.150 nan 0.000 0.443 167 F N -0.071 119.883 119.950 0.006 0.000 2.186 167 F HA -0.031 4.496 4.527 0.001 0.000 0.299 167 F C 2.105 177.926 175.800 0.035 0.000 1.090 167 F CA 0.731 58.744 58.000 0.021 0.000 1.307 167 F CB -0.403 38.602 39.000 0.007 0.000 1.019 167 F HN 0.118 nan 8.300 nan 0.000 0.489 168 I N -1.254 119.443 120.570 0.211 0.000 2.493 168 I HA -0.258 3.913 4.170 0.000 0.000 0.254 168 I C 2.141 178.331 176.117 0.120 0.000 1.160 168 I CA 0.999 62.388 61.300 0.148 0.000 1.445 168 I CB -0.479 37.593 38.000 0.121 0.000 1.086 168 I HN -0.011 nan 8.210 nan 0.000 0.433 169 S N 0.544 116.305 115.700 0.102 0.000 2.436 169 S HA 0.062 4.532 4.470 0.000 0.000 0.228 169 S C 1.893 176.547 174.600 0.090 0.000 1.014 169 S CA 0.711 58.958 58.200 0.079 0.000 0.950 169 S CB -0.031 63.201 63.200 0.053 0.000 0.784 169 S HN 0.376 nan 8.310 nan 0.000 0.504 170 L N 1.088 122.384 121.223 0.121 0.000 2.395 170 L HA 0.070 4.410 4.340 0.000 0.000 0.218 170 L C 1.800 178.756 176.870 0.144 0.000 1.130 170 L CA 0.539 55.462 54.840 0.137 0.000 0.826 170 L CB -0.481 41.694 42.059 0.193 0.000 0.941 170 L HN 0.312 nan 8.230 nan 0.000 0.451 171 L N -0.033 121.278 121.223 0.148 0.000 2.187 171 L HA -0.184 4.156 4.340 0.000 0.000 0.213 171 L C 2.495 179.436 176.870 0.118 0.000 1.100 171 L CA 1.023 55.948 54.840 0.141 0.000 0.765 171 L CB -0.524 41.608 42.059 0.122 0.000 0.904 171 L HN 0.253 nan 8.230 nan 0.000 0.437 172 A N -1.245 121.631 122.820 0.094 0.000 2.251 172 A HA 0.028 4.348 4.320 0.000 0.000 0.209 172 A C 1.293 178.912 177.584 0.059 0.000 1.187 172 A CA 0.021 52.101 52.037 0.071 0.000 0.823 172 A CB -0.154 18.880 19.000 0.057 0.000 0.846 172 A HN 0.253 nan 8.150 nan 0.000 0.486 173 S N 0.517 116.260 115.700 0.070 0.000 2.558 173 S HA 0.139 4.609 4.470 0.000 0.000 0.291 173 S C -1.263 173.341 174.600 0.007 0.000 1.306 173 S CA -0.562 57.672 58.200 0.057 0.000 1.056 173 S CB 0.600 63.852 63.200 0.086 0.000 0.836 173 S HN 0.254 nan 8.310 nan 0.000 0.504 174 P HA 0.047 nan 4.420 nan 0.000 0.229 174 P C -0.413 176.722 177.300 -0.275 0.000 1.160 174 P CA 0.784 63.774 63.100 -0.182 0.000 0.777 174 P CB 0.053 31.594 31.700 -0.265 0.000 0.814 175 H N -0.335 118.716 119.070 -0.031 0.000 2.741 175 H HA 0.344 4.900 4.556 0.000 0.000 0.282 175 H C 1.303 176.567 175.328 -0.106 0.000 1.122 175 H CA -0.331 55.691 56.048 -0.044 0.000 1.293 175 H CB 1.080 30.775 29.762 -0.111 0.000 1.415 175 H HN -0.016 nan 8.280 nan 0.000 0.472 176 A N 3.896 126.703 122.820 -0.022 0.000 1.958 176 A HA -0.260 4.060 4.320 0.000 0.000 0.221 176 A C 2.090 179.521 177.584 -0.254 0.000 1.178 176 A CA 1.886 53.788 52.037 -0.225 0.000 0.642 176 A CB -0.692 18.123 19.000 -0.308 0.000 0.816 176 A HN 0.856 nan 8.150 nan 0.000 0.453 177 H N -1.195 117.741 119.070 -0.222 0.000 2.495 177 H HA 0.095 4.651 4.556 0.000 0.000 0.287 177 H C 1.827 177.107 175.328 -0.079 0.000 1.033 177 H CA 1.280 57.192 56.048 -0.227 0.000 1.307 177 H CB -0.549 28.980 29.762 -0.387 0.000 1.401 177 H HN 0.513 nan 8.280 nan 0.000 0.555 178 I N 1.510 121.786 120.570 -0.489 0.000 2.339 178 I HA -0.206 3.964 4.170 0.000 0.000 0.245 178 I C 2.765 178.918 176.117 0.060 0.000 1.096 178 I CA 1.181 62.378 61.300 -0.171 0.000 1.408 178 I CB -0.191 37.704 38.000 -0.175 0.000 1.092 178 I HN 0.325 nan 8.210 nan 0.000 0.423 179 S N 0.377 116.108 115.700 0.052 0.000 2.399 179 S HA -0.265 4.205 4.470 0.000 0.000 0.231 179 S C 1.887 176.631 174.600 0.241 0.000 1.022 179 S CA 1.525 59.818 58.200 0.155 0.000 0.983 179 S CB -0.475 62.825 63.200 0.166 0.000 0.803 179 S HN 0.571 nan 8.310 nan 0.000 0.480 180 E N 0.463 120.788 120.200 0.209 0.000 2.110 180 E HA -0.198 4.153 4.350 0.000 0.000 0.193 180 E C 2.241 179.025 176.600 0.308 0.000 0.988 180 E CA 1.078 57.694 56.400 0.359 0.000 0.804 180 E CB -0.216 29.612 29.700 0.213 0.000 0.745 180 E HN 0.432 nan 8.360 nan 0.000 0.458 181 Q N 0.162 120.109 119.800 0.246 0.000 2.084 181 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 181 Q C 2.137 178.211 176.000 0.123 0.000 0.978 181 Q CA 1.500 57.419 55.803 0.195 0.000 0.844 181 Q CB -0.359 28.505 28.738 0.210 0.000 0.898 181 Q HN 0.432 nan 8.270 nan 0.000 0.426 182 A N 0.023 122.948 122.820 0.174 0.000 1.902 182 A HA -0.118 4.202 4.320 0.000 0.000 0.217 182 A C 2.411 179.994 177.584 -0.003 0.000 1.181 182 A CA 1.468 53.570 52.037 0.108 0.000 0.623 182 A CB -0.633 18.551 19.000 0.307 0.000 0.818 182 A HN 0.214 nan 8.150 nan 0.000 0.443 183 V N -1.566 118.430 119.914 0.137 0.000 2.343 183 V HA -0.243 3.878 4.120 0.000 0.000 0.247 183 V C 2.263 178.470 176.094 0.187 0.000 1.051 183 V CA 1.795 64.177 62.300 0.136 0.000 1.036 183 V CB -0.829 31.098 31.823 0.172 0.000 0.654 183 V HN 0.851 nan 8.190 nan 0.000 0.451 184 W N 0.982 122.291 121.300 0.015 0.000 2.379 184 W HA -0.160 4.500 4.660 0.001 0.000 0.307 184 W C 2.558 179.064 176.519 -0.021 0.000 1.200 184 W CA 2.099 59.477 57.345 0.055 0.000 1.297 184 W CB -0.743 28.684 29.460 -0.055 0.000 1.140 184 W HN 0.278 nan 8.180 nan 0.000 0.507 185 A N 0.569 123.376 122.820 -0.020 0.000 1.877 185 A HA -0.199 4.121 4.320 0.000 0.000 0.216 185 A C 2.274 179.704 177.584 -0.256 0.000 1.186 185 A CA 1.904 53.720 52.037 -0.370 0.000 0.620 185 A CB -1.200 16.985 19.000 -1.358 0.000 0.822 185 A HN 0.297 nan 8.150 nan 0.000 0.443 186 L N -0.612 120.453 121.223 -0.263 0.000 2.131 186 L HA -0.146 4.195 4.340 0.000 0.000 0.210 186 L C 2.770 179.603 176.870 -0.061 0.000 1.092 186 L CA 0.896 55.660 54.840 -0.127 0.000 0.759 186 L CB -0.746 41.272 42.059 -0.069 0.000 0.903 186 L HN 0.522 nan 8.230 nan 0.000 0.435 187 G N -0.094 108.719 108.800 0.022 0.000 2.421 187 G HA2 -0.265 3.695 3.960 0.000 0.000 0.216 187 G HA3 -0.265 3.695 3.960 0.000 0.000 0.216 187 G C 1.405 176.271 174.900 -0.056 0.000 1.171 187 G CA 0.650 45.679 45.100 -0.119 0.000 0.775 187 G HN 0.315 nan 8.290 nan 0.000 0.543 188 N N 0.541 119.384 118.700 0.238 0.000 2.244 188 N HA -0.002 4.739 4.740 0.000 0.000 0.183 188 N C 2.246 177.808 175.510 0.086 0.000 1.016 188 N CA 0.599 53.786 53.050 0.228 0.000 0.866 188 N CB -0.128 38.505 38.487 0.242 0.000 0.980 188 N HN 0.356 nan 8.380 nan 0.000 0.430 189 I N 0.950 121.529 120.570 0.014 0.000 2.163 189 I HA -0.198 3.972 4.170 0.000 0.000 0.240 189 I C 2.297 178.443 176.117 0.049 0.000 1.081 189 I CA 0.975 62.261 61.300 -0.023 0.000 1.353 189 I CB -0.343 37.589 38.000 -0.114 0.000 1.054 189 I HN 0.040 nan 8.210 nan 0.000 0.407 190 A N 0.917 123.733 122.820 -0.007 0.000 1.933 190 A HA -0.105 4.216 4.320 0.000 0.000 0.218 190 A C 2.356 179.918 177.584 -0.036 0.000 1.175 190 A CA 1.719 53.750 52.037 -0.010 0.000 0.628 190 A CB -1.342 17.609 19.000 -0.081 0.000 0.814 190 A HN 0.483 nan 8.150 nan 0.000 0.444 191 G N -0.488 108.265 108.800 -0.078 0.000 2.535 191 G HA2 -0.203 3.758 3.960 0.000 0.000 0.218 191 G HA3 -0.203 3.758 3.960 0.000 0.000 0.218 191 G C 1.101 175.995 174.900 -0.009 0.000 1.122 191 G CA 1.229 46.276 45.100 -0.089 0.000 0.769 191 G HN 0.604 nan 8.290 nan 0.000 0.549 192 D N -0.324 120.120 120.400 0.074 0.000 2.144 192 D HA 0.262 4.902 4.640 0.000 0.000 0.200 192 D C 1.324 177.631 176.300 0.012 0.000 0.978 192 D CA 1.576 55.639 54.000 0.104 0.000 0.833 192 D CB 0.024 41.003 40.800 0.300 0.000 0.961 192 D HN 0.420 nan 8.370 nan 0.000 0.470 193 G N -2.551 106.243 108.800 -0.010 0.000 2.324 193 G HA2 0.138 4.098 3.960 0.000 0.000 0.293 193 G HA3 0.138 4.098 3.960 0.000 0.000 0.293 193 G C 0.508 175.366 174.900 -0.070 0.000 1.297 193 G CA 0.100 45.155 45.100 -0.075 0.000 0.853 193 G HN -0.061 nan 8.290 nan 0.000 0.535 194 S N 0.005 115.653 115.700 -0.087 0.000 2.359 194 S HA -0.135 4.335 4.470 0.000 0.000 0.223 194 S C 2.837 177.407 174.600 -0.050 0.000 1.039 194 S CA 2.786 60.947 58.200 -0.065 0.000 1.042 194 S CB -0.746 62.414 63.200 -0.067 0.000 0.915 194 S HN 1.521 nan 8.310 nan 0.000 0.439 195 A N 1.635 124.390 122.820 -0.107 0.000 1.851 195 A HA -0.086 4.234 4.320 0.000 0.000 0.216 195 A C 1.925 179.528 177.584 0.031 0.000 1.195 195 A CA 1.739 53.712 52.037 -0.107 0.000 0.622 195 A CB -1.041 17.799 19.000 -0.267 0.000 0.831 195 A HN 0.433 nan 8.150 nan 0.000 0.444 196 F N -0.191 119.757 119.950 -0.003 0.000 2.234 196 F HA -0.042 4.486 4.527 0.001 0.000 0.299 196 F C 2.373 178.169 175.800 -0.007 0.000 1.087 196 F CA 0.949 58.949 58.000 -0.000 0.000 1.340 196 F CB -0.762 38.234 39.000 -0.007 0.000 1.031 196 F HN 0.273 nan 8.300 nan 0.000 0.500 197 R N 0.689 121.282 120.500 0.155 0.000 2.080 197 R HA -0.171 4.170 4.340 0.000 0.000 0.236 197 R C 1.677 178.017 176.300 0.066 0.000 1.137 197 R CA 2.126 58.264 56.100 0.064 0.000 0.943 197 R CB -0.429 29.873 30.300 0.003 0.000 0.846 197 R HN 0.129 nan 8.270 nan 0.000 0.431 198 D N 0.603 121.043 120.400 0.066 0.000 2.219 198 D HA -0.137 4.503 4.640 0.000 0.000 0.205 198 D C 1.825 178.189 176.300 0.107 0.000 0.970 198 D CA 0.593 54.632 54.000 0.064 0.000 0.851 198 D CB -0.078 40.747 40.800 0.042 0.000 0.943 198 D HN 0.190 nan 8.370 nan 0.000 0.488 199 L N 0.563 121.882 121.223 0.160 0.000 2.109 199 L HA -0.087 4.254 4.340 0.000 0.000 0.207 199 L C 2.204 179.231 176.870 0.261 0.000 1.086 199 L CA 1.106 56.086 54.840 0.233 0.000 0.760 199 L CB -0.398 41.833 42.059 0.287 0.000 0.910 199 L HN -0.167 nan 8.230 nan 0.000 0.437 200 V N -0.082 119.921 119.914 0.147 0.000 2.343 200 V HA -0.318 3.802 4.120 0.000 0.000 0.247 200 V C 2.492 178.660 176.094 0.124 0.000 1.051 200 V CA 2.198 64.553 62.300 0.092 0.000 1.036 200 V CB -0.470 31.373 31.823 0.034 0.000 0.654 200 V HN 0.407 nan 8.190 nan 0.000 0.451 201 I N -0.584 120.044 120.570 0.097 0.000 2.286 201 I HA -0.249 3.922 4.170 0.000 0.000 0.248 201 I C 2.519 178.688 176.117 0.085 0.000 1.115 201 I CA 1.557 62.901 61.300 0.074 0.000 1.392 201 I CB -0.450 37.578 38.000 0.047 0.000 1.065 201 I HN 0.267 nan 8.210 nan 0.000 0.418 202 K N -0.052 120.411 120.400 0.104 0.000 2.148 202 K HA -0.168 4.153 4.320 0.000 0.000 0.204 202 K C 1.730 178.346 176.600 0.027 0.000 1.050 202 K CA 1.242 57.560 56.287 0.052 0.000 0.942 202 K CB -0.202 32.315 32.500 0.027 0.000 0.724 202 K HN 0.379 nan 8.250 nan 0.000 0.446 203 H N -0.732 118.358 119.070 0.034 0.000 2.556 203 H HA 0.068 4.624 4.556 0.000 0.000 0.268 203 H C 0.818 176.165 175.328 0.033 0.000 0.996 203 H CA 0.820 56.888 56.048 0.034 0.000 1.157 203 H CB 0.239 30.025 29.762 0.040 0.000 1.355 203 H HN 0.432 nan 8.280 nan 0.000 0.597 204 G N -0.018 108.853 108.800 0.119 0.000 2.171 204 G HA2 -0.285 3.676 3.960 0.000 0.000 0.238 204 G HA3 -0.285 3.676 3.960 0.000 0.000 0.238 204 G C 1.205 176.150 174.900 0.076 0.000 1.039 204 G CA 0.419 45.566 45.100 0.078 0.000 0.759 204 G HN 0.599 nan 8.290 nan 0.000 0.501 205 A N -0.483 122.385 122.820 0.080 0.000 2.014 205 A HA 0.319 4.639 4.320 0.000 0.000 0.218 205 A C 2.368 179.976 177.584 0.039 0.000 1.163 205 A CA 1.549 53.623 52.037 0.062 0.000 0.652 205 A CB -0.216 18.817 19.000 0.055 0.000 0.808 205 A HN 0.748 nan 8.150 nan 0.000 0.449 206 I N 0.112 120.701 120.570 0.031 0.000 2.163 206 I HA -0.280 3.890 4.170 0.000 0.000 0.243 206 I C 1.919 178.045 176.117 0.015 0.000 1.085 206 I CA 1.636 62.946 61.300 0.017 0.000 1.347 206 I CB -0.612 37.396 38.000 0.014 0.000 1.044 206 I HN 0.309 nan 8.210 nan 0.000 0.408 207 D N 0.957 121.370 120.400 0.021 0.000 2.092 207 D HA -0.144 4.496 4.640 0.000 0.000 0.193 207 D C -0.292 176.021 176.300 0.021 0.000 0.994 207 D CA 1.653 55.665 54.000 0.019 0.000 0.828 207 D CB -1.670 39.143 40.800 0.022 0.000 0.963 207 D HN 0.288 nan 8.370 nan 0.000 0.450 208 P HA -0.071 nan 4.420 nan 0.000 0.216 208 P C 1.887 179.205 177.300 0.030 0.000 1.153 208 P CA 0.721 63.844 63.100 0.038 0.000 0.848 208 P CB -0.026 31.707 31.700 0.055 0.000 0.787 209 L N -1.378 119.857 121.223 0.020 0.000 1.994 209 L HA -0.173 4.167 4.340 0.000 0.000 0.208 209 L C 2.469 179.325 176.870 -0.024 0.000 1.071 209 L CA 1.459 56.297 54.840 -0.002 0.000 0.745 209 L CB -1.081 40.972 42.059 -0.009 0.000 0.892 209 L HN -0.059 nan 8.230 nan 0.000 0.431 210 L N -0.503 120.711 121.223 -0.016 0.000 2.131 210 L HA -0.193 4.148 4.340 0.000 0.000 0.210 210 L C 2.825 179.684 176.870 -0.018 0.000 1.092 210 L CA 1.049 55.876 54.840 -0.022 0.000 0.759 210 L CB -0.837 41.215 42.059 -0.012 0.000 0.903 210 L HN 0.275 nan 8.230 nan 0.000 0.435 211 A N 0.212 123.030 122.820 -0.004 0.000 1.972 211 A HA -0.129 4.192 4.320 0.000 0.000 0.219 211 A C 2.223 179.808 177.584 0.003 0.000 1.169 211 A CA 1.122 53.161 52.037 0.004 0.000 0.635 211 A CB -0.566 18.445 19.000 0.017 0.000 0.810 211 A HN 0.384 nan 8.150 nan 0.000 0.446 212 L N -1.014 120.206 121.223 -0.005 0.000 2.265 212 L HA -0.079 4.262 4.340 0.000 0.000 0.215 212 L C 1.782 178.615 176.870 -0.061 0.000 1.117 212 L CA 0.714 55.546 54.840 -0.014 0.000 0.782 212 L CB -0.272 41.756 42.059 -0.052 0.000 0.914 212 L HN 0.372 nan 8.230 nan 0.000 0.441 213 L N -0.712 120.470 121.223 -0.068 0.000 2.640 213 L HA 0.228 4.569 4.340 0.000 0.000 0.230 213 L C 1.386 178.230 176.870 -0.044 0.000 1.123 213 L CA -0.377 54.416 54.840 -0.078 0.000 0.900 213 L CB 0.033 42.035 42.059 -0.094 0.000 1.146 213 L HN 0.036 nan 8.230 nan 0.000 0.484 214 A N 1.682 124.487 122.820 -0.024 0.000 3.052 214 A HA 0.383 4.703 4.320 0.000 0.000 0.266 214 A C 0.185 177.765 177.584 -0.006 0.000 1.855 214 A CA 0.013 52.043 52.037 -0.013 0.000 1.473 214 A CB -1.028 17.970 19.000 -0.005 0.000 1.038 214 A HN 0.139 nan 8.150 nan 0.000 0.619 215 V N -1.497 118.411 119.914 -0.011 0.000 3.001 215 V HA 0.642 4.763 4.120 0.000 0.000 0.314 215 V C -1.924 174.168 176.094 -0.003 0.000 1.099 215 V CA -1.673 60.626 62.300 -0.002 0.000 0.989 215 V CB 1.083 32.908 31.823 0.002 0.000 1.040 215 V HN 0.313 nan 8.190 nan 0.000 0.434 216 P HA 0.075 nan 4.420 nan 0.000 0.216 216 P C -0.295 177.011 177.300 0.009 0.000 1.153 216 P CA 1.350 64.453 63.100 0.005 0.000 0.848 216 P CB 0.161 31.866 31.700 0.007 0.000 0.787 217 D N -1.421 118.988 120.400 0.015 0.000 2.476 217 D HA 0.146 4.786 4.640 0.000 0.000 0.251 217 D C 0.955 177.272 176.300 0.029 0.000 1.291 217 D CA -0.350 53.668 54.000 0.029 0.000 0.939 217 D CB 0.814 41.636 40.800 0.036 0.000 1.221 217 D HN -0.202 nan 8.370 nan 0.000 0.567 218 L N 1.742 122.973 121.223 0.013 0.000 2.197 218 L HA -0.184 4.156 4.340 0.000 0.000 0.215 218 L C 2.011 178.894 176.870 0.021 0.000 1.095 218 L CA 0.929 55.731 54.840 -0.062 0.000 0.764 218 L CB -0.279 41.632 42.059 -0.246 0.000 0.897 218 L HN 0.294 nan 8.230 nan 0.000 0.436 219 S N -1.021 114.770 115.700 0.152 0.000 2.474 219 S HA -0.130 4.340 4.470 0.000 0.000 0.235 219 S C 2.001 176.660 174.600 0.099 0.000 0.997 219 S CA 1.493 59.804 58.200 0.184 0.000 0.949 219 S CB -0.329 62.959 63.200 0.146 0.000 0.766 219 S HN 0.676 nan 8.310 nan 0.000 0.517 220 T N -0.137 114.458 114.554 0.068 0.000 3.088 220 T HA 0.222 4.572 4.350 0.000 0.000 0.259 220 T C 0.531 175.269 174.700 0.064 0.000 1.122 220 T CA 0.080 62.213 62.100 0.055 0.000 1.095 220 T CB -0.390 68.504 68.868 0.042 0.000 0.930 220 T HN 0.168 nan 8.240 nan 0.000 0.508 221 L N 1.788 123.052 121.223 0.069 0.000 2.395 221 L HA 0.592 4.932 4.340 0.000 0.000 0.269 221 L C 0.920 177.860 176.870 0.116 0.000 1.133 221 L CA -1.127 53.776 54.840 0.105 0.000 0.812 221 L CB 0.477 42.578 42.059 0.070 0.000 1.125 221 L HN 0.184 nan 8.230 nan 0.000 0.452 222 A N 1.300 124.213 122.820 0.156 0.000 2.511 222 A HA -0.019 4.301 4.320 0.000 0.000 0.242 222 A C 1.192 178.852 177.584 0.127 0.000 1.069 222 A CA -0.146 51.964 52.037 0.122 0.000 0.763 222 A CB 0.254 19.316 19.000 0.103 0.000 1.001 222 A HN 1.089 nan 8.150 nan 0.000 0.498 223 C N 2.652 122.007 119.300 0.091 0.000 2.376 223 C HA -0.148 4.312 4.460 0.000 0.000 0.275 223 C C 2.711 177.742 174.990 0.068 0.000 1.200 223 C CA 2.132 61.199 59.018 0.081 0.000 1.756 223 C CB -1.575 26.200 27.740 0.058 0.000 2.050 223 C HN 0.976 nan 8.230 nan 0.000 0.460 224 G N -2.216 106.623 108.800 0.065 0.000 2.422 224 G HA2 -0.206 3.754 3.960 0.000 0.000 0.218 224 G HA3 -0.206 3.754 3.960 0.000 0.000 0.218 224 G C 1.459 176.419 174.900 0.100 0.000 1.140 224 G CA 0.984 46.111 45.100 0.045 0.000 0.775 224 G HN 0.658 nan 8.290 nan 0.000 0.545 225 Y N 0.682 120.976 120.300 -0.010 0.000 2.181 225 Y HA -0.021 4.529 4.550 0.001 0.000 0.288 225 Y C 2.436 178.327 175.900 -0.014 0.000 1.146 225 Y CA 0.866 58.966 58.100 0.001 0.000 1.164 225 Y CB -0.468 38.002 38.460 0.016 0.000 0.982 225 Y HN 0.139 nan 8.280 nan 0.000 0.515 226 L N 0.599 121.814 121.223 -0.014 0.000 2.056 226 L HA -0.121 4.219 4.340 0.000 0.000 0.207 226 L C 2.387 179.206 176.870 -0.084 0.000 1.078 226 L CA 1.642 56.404 54.840 -0.129 0.000 0.749 226 L CB -0.704 41.291 42.059 -0.106 0.000 0.901 226 L HN 0.079 nan 8.230 nan 0.000 0.433 227 R N -0.692 119.787 120.500 -0.035 0.000 2.120 227 R HA -0.133 4.207 4.340 0.000 0.000 0.234 227 R C 1.991 178.262 176.300 -0.049 0.000 1.123 227 R CA 1.317 57.395 56.100 -0.036 0.000 0.975 227 R CB -0.474 29.788 30.300 -0.062 0.000 0.866 227 R HN 0.481 nan 8.270 nan 0.000 0.446 228 N N 0.750 119.400 118.700 -0.083 0.000 2.171 228 N HA -0.069 4.671 4.740 0.000 0.000 0.184 228 N C 1.928 177.463 175.510 0.042 0.000 1.021 228 N CA 0.944 53.949 53.050 -0.075 0.000 0.854 228 N CB -0.055 38.376 38.487 -0.094 0.000 0.994 228 N HN 0.152 nan 8.380 nan 0.000 0.426 229 L N 0.819 122.006 121.223 -0.061 0.000 2.012 229 L HA -0.174 4.166 4.340 0.000 0.000 0.210 229 L C 2.307 179.153 176.870 -0.041 0.000 1.073 229 L CA 1.219 56.003 54.840 -0.093 0.000 0.748 229 L CB -0.822 41.098 42.059 -0.231 0.000 0.891 229 L HN 0.147 nan 8.230 nan 0.000 0.431 230 T N -1.416 113.123 114.554 -0.024 0.000 2.652 230 T HA -0.276 4.074 4.350 0.000 0.000 0.267 230 T C 1.312 176.046 174.700 0.057 0.000 1.039 230 T CA 1.741 63.845 62.100 0.007 0.000 1.153 230 T CB -0.507 68.375 68.868 0.022 0.000 0.863 230 T HN 0.517 nan 8.240 nan 0.000 0.428 231 W N 1.896 123.145 121.300 -0.084 0.000 2.318 231 W HA -0.210 4.450 4.660 0.000 0.000 0.313 231 W C 2.310 178.794 176.519 -0.059 0.000 1.221 231 W CA 1.766 59.064 57.345 -0.077 0.000 1.266 231 W CB -0.933 28.432 29.460 -0.159 0.000 1.150 231 W HN 0.111 nan 8.180 nan 0.000 0.496 232 T N 1.485 115.947 114.554 -0.154 0.000 2.788 232 T HA -0.199 4.151 4.350 0.000 0.000 0.268 232 T C 1.921 176.457 174.700 -0.273 0.000 1.044 232 T CA 1.781 63.660 62.100 -0.369 0.000 1.139 232 T CB -0.496 68.318 68.868 -0.090 0.000 0.867 232 T HN 0.157 nan 8.240 nan 0.000 0.454 233 L N 1.411 122.548 121.223 -0.143 0.000 2.093 233 L HA -0.096 4.244 4.340 0.000 0.000 0.208 233 L C 2.872 179.693 176.870 -0.082 0.000 1.085 233 L CA 1.417 56.202 54.840 -0.092 0.000 0.755 233 L CB -0.645 41.383 42.059 -0.051 0.000 0.904 233 L HN 0.383 nan 8.230 nan 0.000 0.435 234 S N -0.678 114.968 115.700 -0.090 0.000 2.442 234 S HA -0.143 4.327 4.470 0.000 0.000 0.236 234 S C 1.705 176.319 174.600 0.023 0.000 1.007 234 S CA 1.165 59.377 58.200 0.020 0.000 0.965 234 S CB -0.348 62.888 63.200 0.060 0.000 0.773 234 S HN 0.395 nan 8.310 nan 0.000 0.504 235 N N 1.524 120.077 118.700 -0.245 0.000 2.354 235 N HA 0.221 4.962 4.740 0.000 0.000 0.179 235 N C 1.461 176.865 175.510 -0.176 0.000 1.021 235 N CA 0.754 53.625 53.050 -0.297 0.000 0.887 235 N CB -0.479 37.690 38.487 -0.530 0.000 0.974 235 N HN 0.442 nan 8.380 nan 0.000 0.437 236 L N -0.602 120.545 121.223 -0.126 0.000 2.465 236 L HA -0.015 4.326 4.340 0.000 0.000 0.224 236 L C 1.315 178.170 176.870 -0.025 0.000 1.145 236 L CA 0.363 55.162 54.840 -0.068 0.000 0.834 236 L CB 0.003 42.031 42.059 -0.052 0.000 0.944 236 L HN 0.181 nan 8.230 nan 0.000 0.451 237 C N -1.248 118.061 119.300 0.015 0.000 2.780 237 C HA 0.119 4.580 4.460 0.000 0.000 0.267 237 C C 1.626 176.670 174.990 0.090 0.000 1.266 237 C CA -0.545 58.525 59.018 0.086 0.000 1.709 237 C CB -0.638 27.197 27.740 0.158 0.000 1.975 237 C HN 0.308 nan 8.230 nan 0.000 0.582 238 R N 2.113 122.575 120.500 -0.064 0.000 2.560 238 R HA 0.261 4.601 4.340 0.000 0.000 0.270 238 R C -0.599 175.543 176.300 -0.263 0.000 1.074 238 R CA 0.284 56.147 56.100 -0.395 0.000 1.140 238 R CB 0.297 30.189 30.300 -0.680 0.000 1.073 238 R HN 0.446 nan 8.270 nan 0.000 0.527 239 N N 1.242 119.763 118.700 -0.298 0.000 4.518 239 N HA -0.127 4.614 4.740 0.000 0.000 0.343 239 N C -0.924 174.534 175.510 -0.087 0.000 2.025 239 N CA 0.437 53.385 53.050 -0.170 0.000 2.870 239 N CB -0.176 38.225 38.487 -0.143 0.000 0.383 239 N HN 0.729 nan 8.380 nan 0.000 0.733 240 K N 0.199 120.562 120.400 -0.061 0.000 2.425 240 K HA 0.223 4.543 4.320 0.000 0.000 0.201 240 K C -0.180 176.405 176.600 -0.025 0.000 1.128 240 K CA 0.075 56.345 56.287 -0.028 0.000 1.000 240 K CB 0.542 33.035 32.500 -0.011 0.000 0.961 240 K HN 0.313 nan 8.250 nan 0.000 0.555 241 N N 3.002 121.680 118.700 -0.036 0.000 2.936 241 N HA 0.194 4.934 4.740 0.000 0.000 0.243 241 N C -2.475 173.014 175.510 -0.035 0.000 1.149 241 N CA -0.777 52.255 53.050 -0.031 0.000 0.914 241 N CB 1.252 39.720 38.487 -0.031 0.000 1.179 241 N HN 0.170 nan 8.380 nan 0.000 0.502 242 P HA 0.388 nan 4.420 nan 0.000 0.284 242 P C -0.555 176.734 177.300 -0.018 0.000 1.292 242 P CA -0.488 62.601 63.100 -0.018 0.000 0.800 242 P CB 1.068 32.760 31.700 -0.013 0.000 1.188 243 A N 0.504 123.319 122.820 -0.008 0.000 2.332 243 A HA 0.528 4.848 4.320 0.000 0.000 0.258 243 A C -2.123 175.460 177.584 -0.002 0.000 1.087 243 A CA -1.294 50.742 52.037 -0.003 0.000 0.802 243 A CB -1.456 17.550 19.000 0.010 0.000 1.042 243 A HN 0.409 nan 8.150 nan 0.000 0.489 244 P HA 0.173 nan 4.420 nan 0.000 0.270 244 P C -2.485 174.820 177.300 0.008 0.000 1.221 244 P CA -0.563 62.539 63.100 0.003 0.000 0.788 244 P CB -0.470 31.235 31.700 0.008 0.000 0.904 245 P HA 0.079 nan 4.420 nan 0.000 0.268 245 P C 0.923 178.229 177.300 0.010 0.000 1.204 245 P CA 0.206 63.312 63.100 0.009 0.000 0.768 245 P CB 0.244 31.951 31.700 0.011 0.000 0.842 246 L N 2.397 123.626 121.223 0.009 0.000 2.013 246 L HA -0.239 4.102 4.340 0.000 0.000 0.212 246 L C 2.069 178.944 176.870 0.009 0.000 1.073 246 L CA 1.973 56.819 54.840 0.009 0.000 0.753 246 L CB -0.763 41.300 42.059 0.008 0.000 0.890 246 L HN 0.536 nan 8.230 nan 0.000 0.432 247 D N 0.123 120.528 120.400 0.008 0.000 2.219 247 D HA -0.173 4.467 4.640 0.000 0.000 0.205 247 D C 1.958 178.264 176.300 0.009 0.000 0.970 247 D CA 1.298 55.303 54.000 0.007 0.000 0.851 247 D CB 0.067 40.871 40.800 0.007 0.000 0.943 247 D HN 0.331 nan 8.370 nan 0.000 0.488 248 A N 1.056 123.882 122.820 0.010 0.000 1.929 248 A HA 0.007 4.327 4.320 0.000 0.000 0.216 248 A C 2.626 180.216 177.584 0.010 0.000 1.176 248 A CA 1.032 53.075 52.037 0.011 0.000 0.628 248 A CB -0.668 18.339 19.000 0.012 0.000 0.816 248 A HN 0.175 nan 8.150 nan 0.000 0.444 249 V N 0.426 120.348 119.914 0.012 0.000 2.343 249 V HA -0.204 3.916 4.120 0.000 0.000 0.247 249 V C 2.516 178.617 176.094 0.011 0.000 1.051 249 V CA 2.064 64.373 62.300 0.015 0.000 1.036 249 V CB -0.704 31.130 31.823 0.018 0.000 0.654 249 V HN 0.496 nan 8.190 nan 0.000 0.451 250 E N -0.203 120.003 120.200 0.009 0.000 2.110 250 E HA -0.255 4.095 4.350 0.000 0.000 0.193 250 E C 2.176 178.779 176.600 0.005 0.000 0.988 250 E CA 1.220 57.624 56.400 0.007 0.000 0.804 250 E CB -0.228 29.476 29.700 0.006 0.000 0.745 250 E HN 0.669 nan 8.360 nan 0.000 0.458 251 Q N 0.076 119.879 119.800 0.005 0.000 2.046 251 Q HA -0.084 4.256 4.340 0.000 0.000 0.200 251 Q C 2.319 178.320 176.000 0.002 0.000 0.975 251 Q CA 0.985 56.790 55.803 0.004 0.000 0.836 251 Q CB 0.012 28.753 28.738 0.005 0.000 0.896 251 Q HN 0.272 nan 8.270 nan 0.000 0.428 252 I N 0.410 120.982 120.570 0.003 0.000 2.353 252 I HA -0.262 3.908 4.170 0.000 0.000 0.248 252 I C 2.187 178.305 176.117 0.001 0.000 1.119 252 I CA 0.505 61.805 61.300 0.000 0.000 1.417 252 I CB -0.192 37.809 38.000 0.001 0.000 1.078 252 I HN 0.246 nan 8.210 nan 0.000 0.421 253 L N 0.974 122.200 121.223 0.005 0.000 1.997 253 L HA -0.214 4.126 4.340 0.000 0.000 0.216 253 L C -0.174 176.700 176.870 0.007 0.000 1.074 253 L CA 2.176 57.020 54.840 0.007 0.000 0.763 253 L CB -1.813 40.251 42.059 0.008 0.000 0.890 253 L HN 0.179 nan 8.230 nan 0.000 0.434 254 P HA -0.163 nan 4.420 nan 0.000 0.216 254 P C 1.546 178.848 177.300 0.003 0.000 1.153 254 P CA 1.632 64.734 63.100 0.003 0.000 0.858 254 P CB -0.062 31.637 31.700 -0.001 0.000 0.789 255 T N -0.572 113.981 114.554 -0.002 0.000 2.777 255 T HA -0.102 4.248 4.350 0.000 0.000 0.266 255 T C 1.658 176.357 174.700 -0.002 0.000 1.040 255 T CA 0.791 62.886 62.100 -0.009 0.000 1.141 255 T CB -0.858 67.999 68.868 -0.019 0.000 0.868 255 T HN -0.043 nan 8.240 nan 0.000 0.444 256 L N 1.360 122.584 121.223 0.002 0.000 2.042 256 L HA -0.046 4.295 4.340 0.000 0.000 0.210 256 L C 2.512 179.397 176.870 0.025 0.000 1.076 256 L CA 1.386 56.230 54.840 0.005 0.000 0.749 256 L CB -0.876 41.184 42.059 0.003 0.000 0.893 256 L HN 0.099 nan 8.230 nan 0.000 0.432 257 V N -0.649 119.288 119.914 0.037 0.000 2.469 257 V HA -0.312 3.808 4.120 0.000 0.000 0.251 257 V C 2.727 178.910 176.094 0.147 0.000 1.064 257 V CA 1.991 64.339 62.300 0.081 0.000 1.066 257 V CB -0.695 31.165 31.823 0.061 0.000 0.667 257 V HN 0.454 nan 8.190 nan 0.000 0.461 258 R N -0.483 120.066 120.500 0.082 0.000 2.090 258 R HA -0.005 4.336 4.340 0.000 0.000 0.228 258 R C 2.237 178.599 176.300 0.104 0.000 1.110 258 R CA 1.075 57.225 56.100 0.084 0.000 0.973 258 R CB -0.159 30.154 30.300 0.022 0.000 0.869 258 R HN 0.437 nan 8.270 nan 0.000 0.440 259 L N 0.429 121.683 121.223 0.052 0.000 2.141 259 L HA -0.149 4.192 4.340 0.000 0.000 0.209 259 L C 2.071 178.985 176.870 0.073 0.000 1.094 259 L CA 0.390 55.252 54.840 0.037 0.000 0.763 259 L CB -0.264 41.791 42.059 -0.007 0.000 0.908 259 L HN 0.219 nan 8.230 nan 0.000 0.437 260 L N -0.954 120.297 121.223 0.048 0.000 2.456 260 L HA -0.158 4.183 4.340 0.000 0.000 0.224 260 L C 1.923 178.697 176.870 -0.160 0.000 1.148 260 L CA 1.584 56.393 54.840 -0.052 0.000 0.825 260 L CB -0.621 41.386 42.059 -0.086 0.000 0.937 260 L HN 0.296 nan 8.230 nan 0.000 0.450 261 H N -2.884 116.207 119.070 0.036 0.000 2.542 261 H HA 0.167 4.723 4.556 0.000 0.000 0.283 261 H C -0.236 175.135 175.328 0.070 0.000 1.059 261 H CA -0.245 55.823 56.048 0.034 0.000 1.162 261 H CB 0.155 29.930 29.762 0.022 0.000 1.539 261 H HN 0.277 nan 8.280 nan 0.000 0.543 262 H N 1.618 120.716 119.070 0.047 0.000 2.525 262 H HA 0.014 4.570 4.556 0.000 0.000 0.339 262 H C 1.304 176.633 175.328 0.003 0.000 1.109 262 H CA -0.367 55.696 56.048 0.026 0.000 1.352 262 H CB 0.906 30.676 29.762 0.014 0.000 1.461 262 H HN 0.256 nan 8.280 nan 0.000 0.533 263 N N 1.620 120.029 118.700 -0.485 0.000 2.453 263 N HA -0.135 4.605 4.740 0.000 0.000 0.183 263 N C -0.270 175.084 175.510 -0.261 0.000 1.041 263 N CA 0.510 53.368 53.050 -0.321 0.000 0.900 263 N CB 0.041 38.360 38.487 -0.280 0.000 0.961 263 N HN 0.529 nan 8.380 nan 0.000 0.443 264 D N 0.933 121.149 120.400 -0.307 0.000 2.343 264 D HA 0.107 4.747 4.640 0.000 0.000 0.255 264 D C -1.304 174.993 176.300 -0.006 0.000 1.187 264 D CA -2.268 51.689 54.000 -0.072 0.000 0.875 264 D CB 1.081 41.923 40.800 0.070 0.000 1.136 264 D HN 0.035 nan 8.370 nan 0.000 0.469 265 P HA -0.197 nan 4.420 nan 0.000 0.217 265 P C 0.936 178.246 177.300 0.017 0.000 1.148 265 P CA 1.117 64.211 63.100 -0.009 0.000 0.828 265 P CB 0.386 32.077 31.700 -0.015 0.000 0.783 266 E N -0.379 119.839 120.200 0.030 0.000 2.072 266 E HA -0.079 4.272 4.350 0.000 0.000 0.191 266 E C 2.127 178.768 176.600 0.068 0.000 0.985 266 E CA 0.825 57.252 56.400 0.045 0.000 0.801 266 E CB -0.281 29.432 29.700 0.022 0.000 0.750 266 E HN 0.022 nan 8.360 nan 0.000 0.452 267 V N 1.599 121.561 119.914 0.080 0.000 2.407 267 V HA -0.260 3.860 4.120 0.000 0.000 0.248 267 V C 2.338 178.474 176.094 0.069 0.000 1.055 267 V CA 1.360 63.716 62.300 0.093 0.000 1.049 267 V CB -0.379 31.547 31.823 0.171 0.000 0.662 267 V HN 0.277 nan 8.190 nan 0.000 0.455 268 L N -0.194 121.057 121.223 0.047 0.000 2.056 268 L HA -0.125 4.216 4.340 0.000 0.000 0.207 268 L C 2.746 179.601 176.870 -0.025 0.000 1.078 268 L CA 1.455 56.291 54.840 -0.005 0.000 0.749 268 L CB -0.813 41.225 42.059 -0.035 0.000 0.901 268 L HN 0.359 nan 8.230 nan 0.000 0.433 269 A N 0.097 122.923 122.820 0.010 0.000 1.865 269 A HA -0.243 4.077 4.320 0.000 0.000 0.217 269 A C 1.933 179.594 177.584 0.128 0.000 1.191 269 A CA 2.093 54.144 52.037 0.024 0.000 0.623 269 A CB -0.587 18.488 19.000 0.125 0.000 0.826 269 A HN 0.358 nan 8.150 nan 0.000 0.444 270 D N -0.288 120.238 120.400 0.211 0.000 2.219 270 D HA -0.045 4.595 4.640 0.000 0.000 0.205 270 D C 2.214 178.591 176.300 0.127 0.000 0.970 270 D CA 1.318 55.478 54.000 0.267 0.000 0.851 270 D CB -0.205 40.734 40.800 0.233 0.000 0.943 270 D HN 0.387 nan 8.370 nan 0.000 0.488 271 S N -0.166 115.560 115.700 0.043 0.000 2.357 271 S HA -0.114 4.357 4.470 0.000 0.000 0.221 271 S C 2.263 176.821 174.600 -0.071 0.000 1.031 271 S CA 0.494 58.688 58.200 -0.010 0.000 0.982 271 S CB -0.271 62.918 63.200 -0.018 0.000 0.853 271 S HN 0.369 nan 8.310 nan 0.000 0.458 272 C N 0.304 119.525 119.300 -0.132 0.000 2.429 272 C HA -0.095 4.365 4.460 0.000 0.000 0.277 272 C C 2.234 177.026 174.990 -0.331 0.000 1.262 272 C CA 0.272 59.140 59.018 -0.251 0.000 1.733 272 C CB -1.542 25.987 27.740 -0.351 0.000 2.010 272 C HN 0.732 nan 8.230 nan 0.000 0.483 273 W N 0.849 121.993 121.300 -0.260 0.000 2.358 273 W HA -0.137 4.523 4.660 0.001 0.000 0.303 273 W C 2.664 178.624 176.519 -0.930 0.000 1.208 273 W CA 1.199 58.226 57.345 -0.531 0.000 1.274 273 W CB -0.507 28.729 29.460 -0.375 0.000 1.138 273 W HN 0.292 nan 8.180 nan 0.000 0.515 274 A N 0.300 122.962 122.820 -0.263 0.000 1.865 274 A HA -0.230 4.090 4.320 0.000 0.000 0.217 274 A C 1.836 179.343 177.584 -0.128 0.000 1.191 274 A CA 1.897 53.840 52.037 -0.156 0.000 0.623 274 A CB -0.973 18.019 19.000 -0.013 0.000 0.826 274 A HN 0.173 nan 8.150 nan 0.000 0.444 275 I N 0.575 121.075 120.570 -0.117 0.000 2.361 275 I HA -0.195 3.976 4.170 0.000 0.000 0.251 275 I C 2.812 178.883 176.117 -0.077 0.000 1.133 275 I CA 1.948 63.203 61.300 -0.074 0.000 1.413 275 I CB -1.441 36.509 38.000 -0.083 0.000 1.073 275 I HN 0.526 nan 8.210 nan 0.000 0.424 276 S N 0.990 116.589 115.700 -0.169 0.000 2.370 276 S HA -0.224 4.247 4.470 0.000 0.000 0.226 276 S C 2.194 176.835 174.600 0.068 0.000 1.033 276 S CA 1.284 59.424 58.200 -0.101 0.000 1.011 276 S CB -0.389 62.703 63.200 -0.179 0.000 0.852 276 S HN 0.368 nan 8.310 nan 0.000 0.457 277 Y N 1.679 122.052 120.300 0.123 0.000 2.220 277 Y HA 0.218 4.769 4.550 0.000 0.000 0.291 277 Y C 2.267 178.199 175.900 0.054 0.000 1.129 277 Y CA 0.181 58.335 58.100 0.089 0.000 1.161 277 Y CB -0.949 37.552 38.460 0.069 0.000 0.997 277 Y HN 0.232 nan 8.280 nan 0.000 0.522 278 L N -0.308 121.023 121.223 0.181 0.000 2.201 278 L HA -0.127 4.214 4.340 0.000 0.000 0.212 278 L C 2.073 178.988 176.870 0.076 0.000 1.105 278 L CA 1.750 56.654 54.840 0.105 0.000 0.775 278 L CB -0.825 41.274 42.059 0.067 0.000 0.913 278 L HN 0.315 nan 8.230 nan 0.000 0.440 279 T N -5.089 109.509 114.554 0.073 0.000 3.107 279 T HA -0.019 4.331 4.350 0.000 0.000 0.249 279 T C 0.619 175.367 174.700 0.081 0.000 1.096 279 T CA -0.240 61.894 62.100 0.057 0.000 1.012 279 T CB -0.193 68.696 68.868 0.036 0.000 0.977 279 T HN 0.002 nan 8.240 nan 0.000 0.527 280 D N 1.344 121.810 120.400 0.111 0.000 2.468 280 D HA 0.557 5.197 4.640 0.000 0.000 0.218 280 D C 0.532 176.883 176.300 0.085 0.000 1.155 280 D CA 0.338 54.410 54.000 0.120 0.000 0.924 280 D CB 0.065 40.959 40.800 0.157 0.000 1.029 280 D HN 0.544 nan 8.370 nan 0.000 0.515 281 G N 3.041 111.881 108.800 0.068 0.000 2.404 281 G HA2 0.155 4.115 3.960 0.000 0.000 0.253 281 G HA3 0.155 4.115 3.960 0.000 0.000 0.253 281 G C -2.739 172.181 174.900 0.034 0.000 1.253 281 G CA -0.870 44.258 45.100 0.046 0.000 0.917 281 G HN 0.328 nan 8.290 nan 0.000 0.480 282 P HA 0.257 nan 4.420 nan 0.000 0.270 282 P C 0.646 177.954 177.300 0.012 0.000 1.223 282 P CA -0.216 62.893 63.100 0.015 0.000 0.785 282 P CB 0.397 32.104 31.700 0.011 0.000 0.923 283 N N 0.409 119.112 118.700 0.005 0.000 2.364 283 N HA -0.180 4.560 4.740 0.000 0.000 0.183 283 N C 0.931 176.441 175.510 0.001 0.000 1.022 283 N CA 0.664 53.714 53.050 -0.000 0.000 0.883 283 N CB -0.091 38.391 38.487 -0.007 0.000 0.965 283 N HN 0.518 nan 8.380 nan 0.000 0.438 284 E N 0.702 120.904 120.200 0.003 0.000 2.150 284 E HA -0.043 4.307 4.350 0.000 0.000 0.193 284 E C 1.818 178.422 176.600 0.007 0.000 0.985 284 E CA 0.618 57.020 56.400 0.003 0.000 0.814 284 E CB 0.115 29.817 29.700 0.004 0.000 0.752 284 E HN 0.200 nan 8.360 nan 0.000 0.466 285 R N 0.349 120.855 120.500 0.011 0.000 2.066 285 R HA 0.007 4.347 4.340 0.000 0.000 0.232 285 R C 2.403 178.712 176.300 0.016 0.000 1.131 285 R CA 0.960 57.070 56.100 0.017 0.000 0.955 285 R CB -0.743 29.572 30.300 0.025 0.000 0.851 285 R HN 0.283 nan 8.270 nan 0.000 0.432 286 I N 0.921 121.499 120.570 0.013 0.000 2.208 286 I HA -0.272 3.898 4.170 0.000 0.000 0.245 286 I C 2.452 178.570 176.117 0.001 0.000 1.097 286 I CA 1.316 62.620 61.300 0.008 0.000 1.363 286 I CB -0.262 37.738 38.000 0.001 0.000 1.051 286 I HN 0.114 nan 8.210 nan 0.000 0.413 287 E N 1.557 121.756 120.200 -0.001 0.000 2.085 287 E HA -0.253 4.097 4.350 0.000 0.000 0.194 287 E C 2.226 178.826 176.600 -0.001 0.000 0.994 287 E CA 1.860 58.258 56.400 -0.003 0.000 0.801 287 E CB -0.311 29.387 29.700 -0.004 0.000 0.743 287 E HN 0.524 nan 8.360 nan 0.000 0.453 288 M N -1.510 118.092 119.600 0.003 0.000 2.374 288 M HA -0.041 4.439 4.480 0.000 0.000 0.264 288 M C 1.742 178.044 176.300 0.004 0.000 1.067 288 M CA 1.057 56.360 55.300 0.004 0.000 1.103 288 M CB -0.111 32.493 32.600 0.007 0.000 1.402 288 M HN -0.045 nan 8.290 nan 0.000 0.444 289 V N 0.473 120.389 119.914 0.004 0.000 2.374 289 V HA -0.105 4.015 4.120 0.000 0.000 0.241 289 V C 2.581 178.674 176.094 -0.001 0.000 1.034 289 V CA 1.052 63.353 62.300 0.003 0.000 1.037 289 V CB -0.048 31.776 31.823 0.003 0.000 0.682 289 V HN 0.317 nan 8.190 nan 0.000 0.463 290 V N 0.098 120.009 119.914 -0.005 0.000 2.332 290 V HA -0.297 3.823 4.120 0.000 0.000 0.248 290 V C 2.451 178.542 176.094 -0.005 0.000 1.055 290 V CA 2.200 64.495 62.300 -0.008 0.000 1.038 290 V CB -0.688 31.127 31.823 -0.013 0.000 0.651 290 V HN 0.462 nan 8.190 nan 0.000 0.450 291 K N 0.222 120.620 120.400 -0.004 0.000 2.281 291 K HA -0.150 4.170 4.320 0.000 0.000 0.203 291 K C 1.866 178.466 176.600 -0.000 0.000 1.046 291 K CA 1.052 57.338 56.287 -0.003 0.000 0.938 291 K CB -0.095 32.404 32.500 -0.002 0.000 0.737 291 K HN 0.231 nan 8.250 nan 0.000 0.458 292 K N -0.790 119.611 120.400 0.002 0.000 2.525 292 K HA 0.090 4.411 4.320 0.000 0.000 0.192 292 K C 0.731 177.338 176.600 0.012 0.000 1.029 292 K CA 0.843 57.134 56.287 0.007 0.000 1.029 292 K CB 0.042 32.548 32.500 0.010 0.000 0.814 292 K HN 0.358 nan 8.250 nan 0.000 0.503 293 G N 1.668 110.473 108.800 0.009 0.000 2.198 293 G HA2 -0.269 3.691 3.960 0.000 0.000 0.257 293 G HA3 -0.269 3.691 3.960 0.000 0.000 0.257 293 G C 0.723 175.640 174.900 0.029 0.000 1.042 293 G CA 0.528 45.637 45.100 0.014 0.000 0.791 293 G HN 0.255 nan 8.290 nan 0.000 0.502 294 V N -3.069 116.859 119.914 0.022 0.000 3.406 294 V HA 0.181 4.302 4.120 0.000 0.000 0.263 294 V C 2.365 178.456 176.094 -0.006 0.000 1.172 294 V CA 1.327 63.641 62.300 0.023 0.000 1.140 294 V CB 0.053 31.880 31.823 0.007 0.000 0.784 294 V HN 0.300 nan 8.190 nan 0.000 0.467 295 V N 1.099 121.007 119.914 -0.010 0.000 2.324 295 V HA -0.164 3.956 4.120 0.000 0.000 0.250 295 V C 0.523 176.603 176.094 -0.023 0.000 1.060 295 V CA 3.051 65.337 62.300 -0.022 0.000 1.042 295 V CB -1.809 30.000 31.823 -0.022 0.000 0.650 295 V HN 0.514 nan 8.190 nan 0.000 0.450 296 P HA -0.179 nan 4.420 nan 0.000 0.215 296 P C 1.778 179.064 177.300 -0.023 0.000 1.157 296 P CA 1.352 64.448 63.100 -0.007 0.000 0.868 296 P CB -0.017 31.690 31.700 0.012 0.000 0.788 297 Q N -0.365 119.417 119.800 -0.030 0.000 2.124 297 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 297 Q C 1.944 177.872 176.000 -0.120 0.000 0.977 297 Q CA 1.496 57.236 55.803 -0.106 0.000 0.850 297 Q CB -1.189 27.420 28.738 -0.215 0.000 0.901 297 Q HN 0.176 nan 8.270 nan 0.000 0.429 298 L N -1.075 120.092 121.223 -0.094 0.000 2.093 298 L HA -0.123 4.218 4.340 0.000 0.000 0.208 298 L C 2.169 178.988 176.870 -0.086 0.000 1.085 298 L CA 0.600 55.381 54.840 -0.099 0.000 0.755 298 L CB -0.319 41.690 42.059 -0.083 0.000 0.904 298 L HN 0.110 nan 8.230 nan 0.000 0.435 299 V N 0.137 120.014 119.914 -0.062 0.000 2.358 299 V HA -0.290 3.830 4.120 0.000 0.000 0.246 299 V C 2.566 178.623 176.094 -0.061 0.000 1.047 299 V CA 1.800 64.070 62.300 -0.049 0.000 1.035 299 V CB -0.461 31.345 31.823 -0.029 0.000 0.658 299 V HN 0.455 nan 8.190 nan 0.000 0.452 300 K N 0.148 120.510 120.400 -0.064 0.000 2.026 300 K HA -0.150 4.170 4.320 0.000 0.000 0.208 300 K C 2.065 178.614 176.600 -0.084 0.000 1.048 300 K CA 1.624 57.872 56.287 -0.065 0.000 0.929 300 K CB -0.228 32.235 32.500 -0.062 0.000 0.713 300 K HN 0.407 nan 8.250 nan 0.000 0.439 301 L N 1.198 122.358 121.223 -0.104 0.000 2.362 301 L HA -0.130 4.211 4.340 0.000 0.000 0.219 301 L C 2.313 179.112 176.870 -0.119 0.000 1.134 301 L CA 0.003 54.774 54.840 -0.116 0.000 0.807 301 L CB -0.273 41.703 42.059 -0.137 0.000 0.927 301 L HN 0.233 nan 8.230 nan 0.000 0.447 302 L N 0.120 121.274 121.223 -0.116 0.000 2.201 302 L HA -0.019 4.322 4.340 0.000 0.000 0.212 302 L C 1.992 178.780 176.870 -0.136 0.000 1.105 302 L CA 1.501 56.261 54.840 -0.133 0.000 0.775 302 L CB -0.632 41.354 42.059 -0.122 0.000 0.913 302 L HN 0.100 nan 8.230 nan 0.000 0.440 303 G N -1.172 107.563 108.800 -0.108 0.000 3.371 303 G HA2 0.387 4.347 3.960 0.000 0.000 0.248 303 G HA3 0.387 4.347 3.960 0.000 0.000 0.248 303 G C 0.525 175.375 174.900 -0.083 0.000 1.161 303 G CA 0.267 45.309 45.100 -0.097 0.000 0.796 303 G HN 0.531 nan 8.290 nan 0.000 0.539 304 A N 0.081 122.848 122.820 -0.088 0.000 2.366 304 A HA 0.486 4.806 4.320 0.000 0.000 0.249 304 A C 1.763 179.306 177.584 -0.067 0.000 1.084 304 A CA 0.667 52.660 52.037 -0.075 0.000 0.794 304 A CB 0.420 19.372 19.000 -0.081 0.000 1.034 304 A HN 0.457 nan 8.150 nan 0.000 0.491 305 T N -1.091 113.431 114.554 -0.053 0.000 3.067 305 T HA 0.092 4.442 4.350 0.000 0.000 0.257 305 T C 0.189 174.866 174.700 -0.039 0.000 1.105 305 T CA 0.890 62.963 62.100 -0.043 0.000 1.104 305 T CB -0.287 68.561 68.868 -0.034 0.000 0.925 305 T HN 0.627 nan 8.240 nan 0.000 0.498 306 E N 1.384 121.559 120.200 -0.040 0.000 2.105 306 E HA 0.383 4.733 4.350 0.000 0.000 0.285 306 E C 0.751 177.330 176.600 -0.035 0.000 1.055 306 E CA -0.368 56.014 56.400 -0.031 0.000 0.843 306 E CB 1.417 31.101 29.700 -0.027 0.000 1.067 306 E HN 0.071 nan 8.360 nan 0.000 0.398 307 L N 6.409 127.618 121.223 -0.022 0.000 2.129 307 L HA -0.082 4.259 4.340 0.000 0.000 0.212 307 L C -1.079 175.787 176.870 -0.007 0.000 1.087 307 L CA 1.925 56.753 54.840 -0.019 0.000 0.757 307 L CB -0.579 41.480 42.059 -0.001 0.000 0.896 307 L HN 0.496 nan 8.230 nan 0.000 0.434 308 P HA -0.030 nan 4.420 nan 0.000 0.234 308 P C 1.561 178.860 177.300 -0.002 0.000 1.167 308 P CA 1.251 64.386 63.100 0.059 0.000 0.763 308 P CB 0.140 31.886 31.700 0.076 0.000 0.835 309 I N -2.291 118.243 120.570 -0.061 0.000 2.947 309 I HA -0.070 4.100 4.170 0.000 0.000 0.263 309 I C 1.981 177.990 176.117 -0.180 0.000 1.130 309 I CA 0.452 61.677 61.300 -0.124 0.000 1.448 309 I CB -0.361 37.583 38.000 -0.095 0.000 1.222 309 I HN -0.278 nan 8.210 nan 0.000 0.453 310 V N 0.985 120.817 119.914 -0.137 0.000 2.332 310 V HA -0.294 3.826 4.120 0.000 0.000 0.248 310 V C 2.520 178.506 176.094 -0.180 0.000 1.055 310 V CA 2.527 64.738 62.300 -0.150 0.000 1.038 310 V CB -1.039 30.714 31.823 -0.118 0.000 0.651 310 V HN 0.448 nan 8.190 nan 0.000 0.450 311 T N 0.902 115.360 114.554 -0.161 0.000 2.652 311 T HA -0.123 4.228 4.350 0.000 0.000 0.267 311 T C 0.138 174.605 174.700 -0.387 0.000 1.039 311 T CA 2.264 64.263 62.100 -0.169 0.000 1.153 311 T CB -1.283 67.565 68.868 -0.034 0.000 0.863 311 T HN 0.530 nan 8.240 nan 0.000 0.428 312 P HA 0.083 nan 4.420 nan 0.000 0.218 312 P C 1.446 178.371 177.300 -0.625 0.000 1.152 312 P CA 1.245 63.603 63.100 -1.236 0.000 0.826 312 P CB -0.145 30.287 31.700 -2.114 0.000 0.790 313 A N 0.425 122.986 122.820 -0.432 0.000 1.908 313 A HA -0.175 4.145 4.320 0.000 0.000 0.218 313 A C 2.246 179.719 177.584 -0.185 0.000 1.181 313 A CA 1.691 53.567 52.037 -0.268 0.000 0.627 313 A CB -1.702 17.170 19.000 -0.214 0.000 0.818 313 A HN 0.191 nan 8.150 nan 0.000 0.445 314 L N -0.280 120.841 121.223 -0.170 0.000 2.083 314 L HA -0.096 4.244 4.340 0.000 0.000 0.209 314 L C 2.339 179.207 176.870 -0.003 0.000 1.083 314 L CA 2.429 57.220 54.840 -0.082 0.000 0.752 314 L CB -0.645 41.364 42.059 -0.084 0.000 0.899 314 L HN 0.404 nan 8.230 nan 0.000 0.433 315 R N 0.389 120.858 120.500 -0.052 0.000 2.092 315 R HA -0.014 4.326 4.340 0.000 0.000 0.231 315 R C 2.045 178.386 176.300 0.067 0.000 1.119 315 R CA 1.757 57.892 56.100 0.057 0.000 0.970 315 R CB -1.046 29.234 30.300 -0.033 0.000 0.864 315 R HN 0.446 nan 8.270 nan 0.000 0.440 316 A N 0.922 123.711 122.820 -0.051 0.000 1.873 316 A HA -0.035 4.286 4.320 0.000 0.000 0.215 316 A C 2.143 179.718 177.584 -0.014 0.000 1.186 316 A CA 1.406 53.420 52.037 -0.037 0.000 0.616 316 A CB -0.456 18.483 19.000 -0.101 0.000 0.823 316 A HN 0.289 nan 8.150 nan 0.000 0.442 317 I N 0.167 120.721 120.570 -0.025 0.000 2.286 317 I HA -0.201 3.969 4.170 0.000 0.000 0.248 317 I C 2.640 178.732 176.117 -0.041 0.000 1.115 317 I CA 1.583 62.870 61.300 -0.023 0.000 1.392 317 I CB -1.859 36.144 38.000 0.004 0.000 1.065 317 I HN 0.373 nan 8.210 nan 0.000 0.418 318 G N 0.991 109.788 108.800 -0.006 0.000 2.418 318 G HA2 -0.254 3.707 3.960 0.000 0.000 0.217 318 G HA3 -0.254 3.707 3.960 0.000 0.000 0.217 318 G C 1.496 176.258 174.900 -0.229 0.000 1.158 318 G CA 0.507 45.505 45.100 -0.170 0.000 0.771 318 G HN 0.327 nan 8.290 nan 0.000 0.545 319 N N 0.730 119.462 118.700 0.053 0.000 2.142 319 N HA -0.026 4.714 4.740 0.000 0.000 0.186 319 N C 2.228 177.730 175.510 -0.014 0.000 1.023 319 N CA 0.658 53.764 53.050 0.094 0.000 0.852 319 N CB -0.288 38.282 38.487 0.139 0.000 0.998 319 N HN 0.339 nan 8.380 nan 0.000 0.424 320 I N 0.903 121.451 120.570 -0.036 0.000 2.264 320 I HA -0.186 3.984 4.170 0.000 0.000 0.248 320 I C 1.720 177.785 176.117 -0.088 0.000 1.111 320 I CA 0.938 62.207 61.300 -0.051 0.000 1.382 320 I CB -0.271 37.700 38.000 -0.048 0.000 1.060 320 I HN 0.013 nan 8.210 nan 0.000 0.418 321 V N -1.908 117.919 119.914 -0.145 0.000 3.630 321 V HA 0.008 4.129 4.120 0.000 0.000 0.273 321 V C 1.807 177.783 176.094 -0.197 0.000 1.248 321 V CA 1.198 63.390 62.300 -0.180 0.000 1.170 321 V CB -1.373 30.308 31.823 -0.237 0.000 0.899 321 V HN 0.519 nan 8.190 nan 0.000 0.457 322 T N -3.058 111.399 114.554 -0.162 0.000 3.086 322 T HA 0.430 4.781 4.350 0.000 0.000 0.250 322 T C 1.017 175.674 174.700 -0.072 0.000 1.074 322 T CA 0.508 62.533 62.100 -0.126 0.000 0.988 322 T CB 0.174 69.008 68.868 -0.057 0.000 0.988 322 T HN 0.659 nan 8.240 nan 0.000 0.530 323 G N 1.773 110.532 108.800 -0.067 0.000 2.695 323 G HA2 0.486 4.447 3.960 0.000 0.000 0.213 323 G HA3 0.486 4.447 3.960 0.000 0.000 0.213 323 G C 0.167 175.038 174.900 -0.049 0.000 1.406 323 G CA -0.128 44.945 45.100 -0.045 0.000 1.049 323 G HN 0.529 nan 8.290 nan 0.000 0.573 324 T N -1.480 113.051 114.554 -0.039 0.000 2.855 324 T HA 0.087 4.437 4.350 0.000 0.000 0.314 324 T C 0.733 175.405 174.700 -0.048 0.000 1.077 324 T CA 0.465 62.542 62.100 -0.038 0.000 1.095 324 T CB 0.737 69.587 68.868 -0.029 0.000 0.987 324 T HN 0.325 nan 8.240 nan 0.000 0.546 325 D N 1.248 121.620 120.400 -0.046 0.000 2.149 325 D HA -0.090 4.550 4.640 0.000 0.000 0.198 325 D C 1.937 178.207 176.300 -0.050 0.000 0.990 325 D CA 1.349 55.318 54.000 -0.053 0.000 0.839 325 D CB -0.169 40.603 40.800 -0.047 0.000 0.948 325 D HN 0.730 nan 8.370 nan 0.000 0.460 326 E N 0.820 120.996 120.200 -0.040 0.000 2.106 326 E HA -0.132 4.218 4.350 0.000 0.000 0.192 326 E C 2.170 178.746 176.600 -0.039 0.000 0.984 326 E CA 0.762 57.141 56.400 -0.036 0.000 0.806 326 E CB -0.202 29.481 29.700 -0.028 0.000 0.750 326 E HN 0.409 nan 8.360 nan 0.000 0.458 327 Q N -0.305 119.471 119.800 -0.040 0.000 2.119 327 Q HA -0.071 4.269 4.340 0.000 0.000 0.201 327 Q C 2.004 177.971 176.000 -0.055 0.000 0.972 327 Q CA 1.580 57.358 55.803 -0.042 0.000 0.847 327 Q CB -0.074 28.640 28.738 -0.039 0.000 0.903 327 Q HN 0.240 nan 8.270 nan 0.000 0.433 328 T N 0.833 115.346 114.554 -0.067 0.000 2.788 328 T HA -0.187 4.163 4.350 0.000 0.000 0.268 328 T C 1.733 176.384 174.700 -0.080 0.000 1.044 328 T CA 1.372 63.419 62.100 -0.087 0.000 1.139 328 T CB -0.155 68.653 68.868 -0.101 0.000 0.867 328 T HN 0.147 nan 8.240 nan 0.000 0.454 329 Q N 1.040 120.801 119.800 -0.065 0.000 2.226 329 Q HA -0.066 4.274 4.340 0.000 0.000 0.204 329 Q C 2.082 178.053 176.000 -0.049 0.000 0.975 329 Q CA 1.282 57.051 55.803 -0.056 0.000 0.866 329 Q CB -0.116 28.595 28.738 -0.045 0.000 0.915 329 Q HN 0.193 nan 8.270 nan 0.000 0.440 330 K N -0.410 119.963 120.400 -0.046 0.000 2.057 330 K HA -0.084 4.236 4.320 0.000 0.000 0.207 330 K C 2.023 178.598 176.600 -0.042 0.000 1.049 330 K CA 1.447 57.711 56.287 -0.037 0.000 0.931 330 K CB -0.862 31.618 32.500 -0.033 0.000 0.714 330 K HN 0.389 nan 8.250 nan 0.000 0.440 331 V N -1.087 118.794 119.914 -0.055 0.000 2.548 331 V HA -0.098 4.022 4.120 0.000 0.000 0.249 331 V C 2.087 178.140 176.094 -0.068 0.000 1.055 331 V CA 1.058 63.324 62.300 -0.057 0.000 1.065 331 V CB -0.469 31.314 31.823 -0.068 0.000 0.681 331 V HN 0.101 nan 8.190 nan 0.000 0.462 332 I N 0.748 121.269 120.570 -0.082 0.000 2.202 332 I HA -0.131 4.039 4.170 0.000 0.000 0.242 332 I C 2.484 178.568 176.117 -0.054 0.000 1.091 332 I CA 1.906 63.150 61.300 -0.093 0.000 1.368 332 I CB -0.573 37.372 38.000 -0.091 0.000 1.058 332 I HN 0.273 nan 8.210 nan 0.000 0.410 333 D N 1.321 121.699 120.400 -0.036 0.000 2.149 333 D HA -0.150 4.490 4.640 0.000 0.000 0.198 333 D C 2.065 178.357 176.300 -0.012 0.000 0.990 333 D CA 1.484 55.474 54.000 -0.017 0.000 0.839 333 D CB -0.123 40.667 40.800 -0.017 0.000 0.948 333 D HN 0.342 nan 8.370 nan 0.000 0.460 334 A N -0.048 122.760 122.820 -0.020 0.000 2.239 334 A HA 0.308 4.628 4.320 0.000 0.000 0.209 334 A C 1.708 179.285 177.584 -0.012 0.000 1.171 334 A CA 1.140 53.168 52.037 -0.014 0.000 0.768 334 A CB -0.441 18.548 19.000 -0.018 0.000 0.790 334 A HN 0.272 nan 8.150 nan 0.000 0.478 335 G N -2.117 106.672 108.800 -0.019 0.000 2.160 335 G HA2 -0.063 3.897 3.960 0.000 0.000 0.244 335 G HA3 -0.063 3.897 3.960 0.000 0.000 0.244 335 G C 1.011 175.890 174.900 -0.036 0.000 1.022 335 G CA 0.809 45.899 45.100 -0.017 0.000 0.741 335 G HN 1.379 nan 8.290 nan 0.000 0.508 336 A N -0.393 122.404 122.820 -0.038 0.000 1.972 336 A HA 0.240 4.561 4.320 0.000 0.000 0.219 336 A C 2.413 180.053 177.584 0.092 0.000 1.169 336 A CA 1.701 53.760 52.037 0.036 0.000 0.635 336 A CB -0.245 18.793 19.000 0.063 0.000 0.810 336 A HN 0.861 nan 8.150 nan 0.000 0.446 337 L N -0.871 120.258 121.223 -0.157 0.000 2.265 337 L HA -0.182 4.158 4.340 0.000 0.000 0.215 337 L C 2.839 179.636 176.870 -0.121 0.000 1.117 337 L CA 0.809 55.482 54.840 -0.278 0.000 0.782 337 L CB -0.499 41.117 42.059 -0.739 0.000 0.914 337 L HN 0.445 nan 8.230 nan 0.000 0.441 338 A N -0.499 122.267 122.820 -0.090 0.000 2.168 338 A HA -0.024 4.296 4.320 0.000 0.000 0.215 338 A C 2.030 179.638 177.584 0.039 0.000 1.152 338 A CA 0.965 53.042 52.037 0.067 0.000 0.716 338 A CB -0.310 18.750 19.000 0.102 0.000 0.794 338 A HN 0.265 nan 8.150 nan 0.000 0.465 339 V N -1.970 117.962 119.914 0.030 0.000 3.590 339 V HA 0.028 4.148 4.120 0.000 0.000 0.265 339 V C 1.712 177.666 176.094 -0.233 0.000 1.239 339 V CA 0.449 62.691 62.300 -0.097 0.000 1.117 339 V CB -0.949 30.781 31.823 -0.155 0.000 0.818 339 V HN 0.494 nan 8.190 nan 0.000 0.451 340 F N 0.773 120.613 119.950 -0.183 0.000 2.325 340 F HA 0.048 4.576 4.527 0.001 0.000 0.299 340 F C -0.069 175.479 175.800 -0.420 0.000 1.090 340 F CA 0.783 58.644 58.000 -0.232 0.000 1.392 340 F CB -1.719 37.167 39.000 -0.190 0.000 1.053 340 F HN 0.295 nan 8.300 nan 0.000 0.521 341 P HA -0.174 nan 4.420 nan 0.000 0.218 341 P C 1.921 178.862 177.300 -0.598 0.000 1.148 341 P CA 1.787 64.209 63.100 -1.129 0.000 0.822 341 P CB 0.019 31.342 31.700 -0.628 0.000 0.784 342 S N -1.209 114.302 115.700 -0.316 0.000 2.345 342 S HA -0.045 4.426 4.470 0.000 0.000 0.219 342 S C 1.775 176.260 174.600 -0.193 0.000 1.031 342 S CA 0.828 58.914 58.200 -0.189 0.000 0.984 342 S CB -0.996 62.112 63.200 -0.153 0.000 0.874 342 S HN -0.038 nan 8.310 nan 0.000 0.451 343 L N 1.235 122.285 121.223 -0.288 0.000 2.083 343 L HA -0.036 4.304 4.340 0.000 0.000 0.209 343 L C 2.110 178.886 176.870 -0.157 0.000 1.083 343 L CA 0.979 55.647 54.840 -0.287 0.000 0.752 343 L CB -0.501 41.215 42.059 -0.571 0.000 0.899 343 L HN 0.332 nan 8.230 nan 0.000 0.433 344 L N -0.475 120.669 121.223 -0.132 0.000 2.551 344 L HA -0.055 4.285 4.340 0.000 0.000 0.228 344 L C 1.567 178.476 176.870 0.065 0.000 1.153 344 L CA 1.041 55.886 54.840 0.010 0.000 0.851 344 L CB -0.571 41.523 42.059 0.058 0.000 0.959 344 L HN 0.435 nan 8.230 nan 0.000 0.451 345 T N -6.070 108.500 114.554 0.027 0.000 3.209 345 T HA 0.114 4.465 4.350 0.000 0.000 0.295 345 T C 0.387 175.104 174.700 0.029 0.000 0.977 345 T CA -0.535 61.611 62.100 0.076 0.000 0.922 345 T CB -0.334 68.619 68.868 0.140 0.000 1.152 345 T HN 0.027 nan 8.240 nan 0.000 0.527 346 N N 2.796 121.491 118.700 -0.008 0.000 2.407 346 N HA 0.176 4.916 4.740 0.000 0.000 0.250 346 N C -1.614 173.897 175.510 0.003 0.000 1.236 346 N CA -1.180 51.858 53.050 -0.020 0.000 0.879 346 N CB 0.977 39.435 38.487 -0.047 0.000 1.088 346 N HN -0.060 nan 8.380 nan 0.000 0.450 347 P HA -0.096 nan 4.420 nan 0.000 0.218 347 P C -0.525 176.784 177.300 0.014 0.000 1.149 347 P CA 1.180 64.287 63.100 0.011 0.000 0.817 347 P CB 0.251 31.956 31.700 0.008 0.000 0.785 348 K N 0.200 120.605 120.400 0.008 0.000 2.262 348 K HA 0.082 4.403 4.320 0.000 0.000 0.288 348 K C 1.337 177.948 176.600 0.019 0.000 1.090 348 K CA 0.113 56.408 56.287 0.014 0.000 0.918 348 K CB -0.660 31.846 32.500 0.010 0.000 1.139 348 K HN -0.053 nan 8.250 nan 0.000 0.462 349 T N 2.125 116.695 114.554 0.027 0.000 2.714 349 T HA -0.313 4.037 4.350 0.000 0.000 0.268 349 T C 1.633 176.355 174.700 0.035 0.000 1.036 349 T CA 2.366 64.487 62.100 0.035 0.000 1.148 349 T CB -0.339 68.553 68.868 0.040 0.000 0.856 349 T HN 0.726 nan 8.240 nan 0.000 0.462 350 N N 0.682 119.402 118.700 0.033 0.000 2.084 350 N HA -0.070 4.671 4.740 0.000 0.000 0.190 350 N C 1.937 177.467 175.510 0.033 0.000 1.030 350 N CA 1.776 54.846 53.050 0.035 0.000 0.849 350 N CB -0.506 38.005 38.487 0.040 0.000 1.012 350 N HN 0.433 nan 8.380 nan 0.000 0.423 351 I N 0.658 121.239 120.570 0.018 0.000 2.454 351 I HA -0.180 3.990 4.170 0.000 0.000 0.254 351 I C 2.265 178.385 176.117 0.006 0.000 1.156 351 I CA 1.169 62.467 61.300 -0.002 0.000 1.433 351 I CB -1.181 36.799 38.000 -0.034 0.000 1.082 351 I HN 0.525 nan 8.210 nan 0.000 0.432 352 Q N 0.614 120.427 119.800 0.021 0.000 2.187 352 Q HA -0.168 4.173 4.340 0.000 0.000 0.199 352 Q C 2.302 178.349 176.000 0.077 0.000 0.957 352 Q CA 0.976 56.802 55.803 0.040 0.000 0.857 352 Q CB 0.213 28.976 28.738 0.041 0.000 0.929 352 Q HN 0.298 nan 8.270 nan 0.000 0.453 353 K N 0.240 120.685 120.400 0.074 0.000 2.031 353 K HA -0.137 4.184 4.320 0.000 0.000 0.205 353 K C 1.701 178.393 176.600 0.155 0.000 1.049 353 K CA 1.043 57.384 56.287 0.090 0.000 0.939 353 K CB 0.197 32.726 32.500 0.049 0.000 0.717 353 K HN 0.175 nan 8.250 nan 0.000 0.438 354 E N 0.409 120.699 120.200 0.149 0.000 2.072 354 E HA -0.149 4.202 4.350 0.000 0.000 0.191 354 E C 1.923 178.741 176.600 0.362 0.000 0.985 354 E CA 1.068 57.631 56.400 0.272 0.000 0.801 354 E CB -0.134 29.673 29.700 0.178 0.000 0.750 354 E HN 0.367 nan 8.360 nan 0.000 0.452 355 A N 0.876 123.829 122.820 0.222 0.000 1.898 355 A HA -0.131 4.190 4.320 0.000 0.000 0.216 355 A C 2.435 180.218 177.584 0.332 0.000 1.181 355 A CA 1.938 54.136 52.037 0.269 0.000 0.620 355 A CB -0.778 18.263 19.000 0.068 0.000 0.819 355 A HN 0.213 nan 8.150 nan 0.000 0.442 356 T N -1.599 113.104 114.554 0.249 0.000 2.821 356 T HA -0.169 4.181 4.350 0.000 0.000 0.267 356 T C 1.479 176.313 174.700 0.223 0.000 1.046 356 T CA 1.389 63.615 62.100 0.211 0.000 1.139 356 T CB -0.328 68.642 68.868 0.170 0.000 0.871 356 T HN 0.783 nan 8.240 nan 0.000 0.454 357 W N 2.213 123.554 121.300 0.067 0.000 2.358 357 W HA -0.144 4.517 4.660 0.001 0.000 0.303 357 W C 2.056 178.587 176.519 0.021 0.000 1.208 357 W CA 1.358 58.721 57.345 0.031 0.000 1.274 357 W CB -0.909 28.559 29.460 0.012 0.000 1.138 357 W HN 0.074 nan 8.180 nan 0.000 0.515 358 T N 1.507 115.988 114.554 -0.122 0.000 2.746 358 T HA -0.229 4.121 4.350 0.000 0.000 0.267 358 T C 1.883 176.403 174.700 -0.300 0.000 1.039 358 T CA 2.014 63.892 62.100 -0.369 0.000 1.142 358 T CB -0.396 68.459 68.868 -0.023 0.000 0.866 358 T HN 0.032 nan 8.240 nan 0.000 0.444 359 M N 1.964 121.476 119.600 -0.148 0.000 2.108 359 M HA -0.077 4.404 4.480 0.000 0.000 0.261 359 M C 2.768 179.001 176.300 -0.111 0.000 1.066 359 M CA 1.622 56.820 55.300 -0.171 0.000 1.107 359 M CB -1.645 30.922 32.600 -0.054 0.000 1.356 359 M HN 0.434 nan 8.290 nan 0.000 0.406 360 S N 0.406 116.069 115.700 -0.061 0.000 2.400 360 S HA -0.130 4.340 4.470 0.000 0.000 0.232 360 S C 1.632 176.176 174.600 -0.094 0.000 1.025 360 S CA 1.338 59.534 58.200 -0.006 0.000 0.993 360 S CB -0.540 62.711 63.200 0.084 0.000 0.808 360 S HN 0.461 nan 8.310 nan 0.000 0.478 361 N N 1.245 119.798 118.700 -0.244 0.000 2.416 361 N HA 0.239 4.980 4.740 0.000 0.000 0.177 361 N C 1.589 176.981 175.510 -0.197 0.000 1.036 361 N CA 0.887 53.782 53.050 -0.259 0.000 0.901 361 N CB -0.220 38.017 38.487 -0.417 0.000 0.976 361 N HN 0.513 nan 8.380 nan 0.000 0.444 362 I N 0.678 121.127 120.570 -0.200 0.000 2.480 362 I HA -0.134 4.037 4.170 0.000 0.000 0.251 362 I C 1.940 177.989 176.117 -0.113 0.000 1.124 362 I CA 1.007 62.202 61.300 -0.175 0.000 1.444 362 I CB -0.338 37.525 38.000 -0.229 0.000 1.098 362 I HN 0.113 nan 8.210 nan 0.000 0.428 363 T N -1.165 113.350 114.554 -0.065 0.000 3.163 363 T HA 0.121 4.471 4.350 0.000 0.000 0.260 363 T C 1.447 176.136 174.700 -0.019 0.000 1.156 363 T CA 0.665 62.760 62.100 -0.008 0.000 1.072 363 T CB -0.067 68.878 68.868 0.129 0.000 0.937 363 T HN 0.294 nan 8.240 nan 0.000 0.528 364 A N 0.495 123.292 122.820 -0.039 0.000 2.345 364 A HA 0.694 5.014 4.320 0.000 0.000 0.225 364 A C 1.356 178.909 177.584 -0.053 0.000 1.243 364 A CA -0.004 52.015 52.037 -0.029 0.000 0.875 364 A CB -0.479 18.498 19.000 -0.038 0.000 0.929 364 A HN 0.603 nan 8.150 nan 0.000 0.502 365 G N -0.481 108.274 108.800 -0.074 0.000 2.695 365 G HA2 0.448 4.408 3.960 0.000 0.000 0.213 365 G HA3 0.448 4.408 3.960 0.000 0.000 0.213 365 G C 0.049 174.903 174.900 -0.077 0.000 1.406 365 G CA -0.942 44.112 45.100 -0.077 0.000 1.049 365 G HN 0.411 nan 8.290 nan 0.000 0.573 366 R N -0.236 120.219 120.500 -0.075 0.000 2.738 366 R HA 0.103 4.444 4.340 0.000 0.000 0.268 366 R C 1.732 177.976 176.300 -0.094 0.000 1.062 366 R CA -0.076 55.981 56.100 -0.073 0.000 1.158 366 R CB 0.584 30.847 30.300 -0.061 0.000 1.046 366 R HN 0.578 nan 8.270 nan 0.000 0.493 367 Q N 1.138 120.883 119.800 -0.092 0.000 2.135 367 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 367 Q C 1.399 177.337 176.000 -0.104 0.000 0.981 367 Q CA 1.823 57.558 55.803 -0.114 0.000 0.856 367 Q CB -0.038 28.645 28.738 -0.092 0.000 0.902 367 Q HN 0.689 nan 8.270 nan 0.000 0.425 368 D N 0.085 120.439 120.400 -0.077 0.000 2.312 368 D HA -0.184 4.456 4.640 0.000 0.000 0.211 368 D C 1.406 177.668 176.300 -0.063 0.000 0.964 368 D CA 0.875 54.836 54.000 -0.064 0.000 0.877 368 D CB -0.012 40.758 40.800 -0.049 0.000 0.924 368 D HN 0.369 nan 8.370 nan 0.000 0.515 369 Q N -0.033 119.721 119.800 -0.076 0.000 2.250 369 Q HA 0.152 4.493 4.340 0.000 0.000 0.200 369 Q C 2.560 178.508 176.000 -0.087 0.000 0.941 369 Q CA 0.245 56.002 55.803 -0.077 0.000 0.872 369 Q CB 0.381 29.067 28.738 -0.086 0.000 0.965 369 Q HN 0.315 nan 8.270 nan 0.000 0.480 370 I N 0.828 121.324 120.570 -0.123 0.000 2.315 370 I HA -0.263 3.907 4.170 0.000 0.000 0.248 370 I C 2.418 178.469 176.117 -0.110 0.000 1.117 370 I CA 0.943 62.139 61.300 -0.172 0.000 1.404 370 I CB -0.014 37.775 38.000 -0.352 0.000 1.071 370 I HN 0.197 nan 8.210 nan 0.000 0.419 371 Q N 0.700 120.441 119.800 -0.098 0.000 2.170 371 Q HA -0.206 4.134 4.340 0.000 0.000 0.203 371 Q C 2.154 178.143 176.000 -0.018 0.000 0.976 371 Q CA 1.562 57.325 55.803 -0.066 0.000 0.858 371 Q CB -0.054 28.641 28.738 -0.071 0.000 0.907 371 Q HN 0.428 nan 8.270 nan 0.000 0.433 372 Q N -0.847 118.954 119.800 0.002 0.000 2.119 372 Q HA -0.071 4.270 4.340 0.000 0.000 0.201 372 Q C 2.120 178.205 176.000 0.141 0.000 0.972 372 Q CA 1.397 57.247 55.803 0.079 0.000 0.847 372 Q CB -0.088 28.679 28.738 0.048 0.000 0.903 372 Q HN 0.312 nan 8.270 nan 0.000 0.433 373 V N 0.565 120.517 119.914 0.064 0.000 2.343 373 V HA -0.212 3.909 4.120 0.000 0.000 0.247 373 V C 2.448 178.645 176.094 0.172 0.000 1.051 373 V CA 1.330 63.684 62.300 0.091 0.000 1.036 373 V CB -0.536 31.338 31.823 0.086 0.000 0.654 373 V HN 0.102 nan 8.190 nan 0.000 0.451 374 V N 0.527 120.528 119.914 0.144 0.000 2.307 374 V HA -0.280 3.840 4.120 0.000 0.000 0.245 374 V C 2.086 178.202 176.094 0.036 0.000 1.045 374 V CA 2.484 64.853 62.300 0.114 0.000 1.024 374 V CB -0.977 30.828 31.823 -0.030 0.000 0.651 374 V HN 0.640 nan 8.190 nan 0.000 0.449 375 N N -0.586 118.115 118.700 0.002 0.000 2.149 375 N HA -0.198 4.542 4.740 0.000 0.000 0.188 375 N C 1.539 177.001 175.510 -0.080 0.000 1.019 375 N CA 1.263 54.273 53.050 -0.066 0.000 0.857 375 N CB -0.198 38.226 38.487 -0.105 0.000 0.997 375 N HN 0.586 nan 8.380 nan 0.000 0.426 376 H N -0.546 118.548 119.070 0.041 0.000 2.553 376 H HA 0.165 4.721 4.556 0.001 0.000 0.269 376 H C 1.135 176.543 175.328 0.132 0.000 1.011 376 H CA 0.486 56.575 56.048 0.068 0.000 1.150 376 H CB -0.077 29.714 29.762 0.049 0.000 1.339 376 H HN 0.276 nan 8.280 nan 0.000 0.604 377 G N 0.722 109.655 108.800 0.221 0.000 2.225 377 G HA2 -0.300 3.660 3.960 0.000 0.000 0.267 377 G HA3 -0.300 3.660 3.960 0.000 0.000 0.267 377 G C 0.861 175.991 174.900 0.383 0.000 1.024 377 G CA 0.535 45.796 45.100 0.269 0.000 0.784 377 G HN 0.474 nan 8.290 nan 0.000 0.507 378 L N -0.605 120.829 121.223 0.353 0.000 2.554 378 L HA 0.056 4.397 4.340 0.000 0.000 0.226 378 L C 2.663 179.726 176.870 0.322 0.000 1.137 378 L CA 0.310 55.379 54.840 0.383 0.000 0.863 378 L CB -0.141 42.041 42.059 0.206 0.000 0.985 378 L HN 0.268 nan 8.230 nan 0.000 0.451 379 V N 0.692 120.764 119.914 0.263 0.000 2.358 379 V HA -0.116 4.004 4.120 0.000 0.000 0.246 379 V C -0.209 175.908 176.094 0.039 0.000 1.047 379 V CA 1.715 64.096 62.300 0.135 0.000 1.035 379 V CB -1.216 30.693 31.823 0.143 0.000 0.658 379 V HN 0.326 nan 8.190 nan 0.000 0.452 380 P HA -0.103 nan 4.420 nan 0.000 0.220 380 P C 1.429 178.634 177.300 -0.159 0.000 1.148 380 P CA 1.360 64.383 63.100 -0.129 0.000 0.803 380 P CB -0.082 31.500 31.700 -0.195 0.000 0.782 381 F N -1.365 118.605 119.950 0.034 0.000 2.259 381 F HA -0.031 4.496 4.527 0.001 0.000 0.298 381 F C 2.123 177.942 175.800 0.032 0.000 1.088 381 F CA 1.036 59.062 58.000 0.044 0.000 1.358 381 F CB -0.983 38.064 39.000 0.078 0.000 1.040 381 F HN -0.190 nan 8.300 nan 0.000 0.505 382 L N -1.091 120.242 121.223 0.185 0.000 2.056 382 L HA -0.172 4.169 4.340 0.000 0.000 0.207 382 L C 2.350 179.237 176.870 0.028 0.000 1.078 382 L CA 0.586 55.484 54.840 0.097 0.000 0.749 382 L CB -0.762 41.327 42.059 0.051 0.000 0.901 382 L HN -0.081 nan 8.230 nan 0.000 0.433 383 V N 0.308 120.209 119.914 -0.022 0.000 2.332 383 V HA -0.245 3.876 4.120 0.000 0.000 0.248 383 V C 2.614 178.689 176.094 -0.031 0.000 1.055 383 V CA 2.066 64.332 62.300 -0.058 0.000 1.038 383 V CB -1.273 30.489 31.823 -0.101 0.000 0.651 383 V HN 0.586 nan 8.190 nan 0.000 0.450 384 G N -0.488 108.301 108.800 -0.018 0.000 2.446 384 G HA2 -0.218 3.743 3.960 0.000 0.000 0.217 384 G HA3 -0.218 3.743 3.960 0.000 0.000 0.217 384 G C 1.701 176.625 174.900 0.040 0.000 1.168 384 G CA 1.220 46.320 45.100 0.001 0.000 0.771 384 G HN 0.372 nan 8.290 nan 0.000 0.551 385 V N 0.460 120.418 119.914 0.073 0.000 2.358 385 V HA -0.100 4.020 4.120 0.000 0.000 0.246 385 V C 2.729 178.845 176.094 0.036 0.000 1.047 385 V CA 1.590 63.932 62.300 0.070 0.000 1.035 385 V CB -0.306 31.574 31.823 0.094 0.000 0.658 385 V HN 0.330 nan 8.190 nan 0.000 0.452 386 L N -0.180 121.054 121.223 0.019 0.000 2.131 386 L HA -0.134 4.207 4.340 0.000 0.000 0.210 386 L C 2.476 179.347 176.870 0.000 0.000 1.092 386 L CA 2.063 56.901 54.840 -0.003 0.000 0.759 386 L CB -0.437 41.608 42.059 -0.022 0.000 0.903 386 L HN 0.293 nan 8.230 nan 0.000 0.435 387 S N -1.265 114.435 115.700 0.001 0.000 2.357 387 S HA -0.065 4.406 4.470 0.000 0.000 0.221 387 S C 0.880 175.491 174.600 0.018 0.000 1.031 387 S CA 0.888 59.089 58.200 0.002 0.000 0.982 387 S CB -0.047 63.147 63.200 -0.010 0.000 0.853 387 S HN 0.350 nan 8.310 nan 0.000 0.458 388 K N 0.136 120.552 120.400 0.026 0.000 2.581 388 K HA 0.604 4.924 4.320 0.000 0.000 0.249 388 K C -1.561 175.066 176.600 0.045 0.000 0.966 388 K CA -0.245 56.064 56.287 0.036 0.000 0.811 388 K CB 1.572 34.090 32.500 0.030 0.000 1.223 388 K HN 0.221 nan 8.250 nan 0.000 0.438 389 A N 2.903 125.756 122.820 0.053 0.000 2.441 389 A HA 0.213 4.534 4.320 0.000 0.000 0.295 389 A C -1.798 175.829 177.584 0.071 0.000 0.992 389 A CA -0.838 51.233 52.037 0.056 0.000 0.603 389 A CB 0.462 19.491 19.000 0.050 0.000 1.385 389 A HN 0.824 nan 8.150 nan 0.000 0.470 390 D N -0.648 119.795 120.400 0.070 0.000 2.449 390 D HA 0.240 4.880 4.640 0.000 0.000 0.236 390 D C 0.951 177.318 176.300 0.112 0.000 1.149 390 D CA 0.544 54.602 54.000 0.096 0.000 0.878 390 D CB 0.157 41.004 40.800 0.078 0.000 1.198 390 D HN 0.556 nan 8.370 nan 0.000 0.446 391 F N 2.865 122.838 119.950 0.039 0.000 2.126 391 F HA -0.128 4.399 4.527 0.000 0.000 0.299 391 F C 1.906 177.739 175.800 0.055 0.000 1.096 391 F CA 1.521 59.546 58.000 0.041 0.000 1.255 391 F CB 0.021 39.042 39.000 0.035 0.000 0.997 391 F HN 0.394 nan 8.300 nan 0.000 0.479 392 K N -0.680 119.708 120.400 -0.021 0.000 2.147 392 K HA -0.124 4.196 4.320 0.000 0.000 0.205 392 K C 1.927 178.465 176.600 -0.103 0.000 1.049 392 K CA 1.766 57.998 56.287 -0.091 0.000 0.936 392 K CB -0.383 32.144 32.500 0.046 0.000 0.722 392 K HN 0.273 nan 8.250 nan 0.000 0.446 393 T N 1.207 115.733 114.554 -0.047 0.000 2.857 393 T HA -0.116 4.234 4.350 0.000 0.000 0.266 393 T C 1.738 176.416 174.700 -0.037 0.000 1.048 393 T CA 1.007 63.107 62.100 -0.001 0.000 1.139 393 T CB -0.037 68.850 68.868 0.033 0.000 0.874 393 T HN 0.277 nan 8.240 nan 0.000 0.455 394 Q N 0.594 120.320 119.800 -0.122 0.000 2.124 394 Q HA -0.056 4.284 4.340 0.000 0.000 0.202 394 Q C 2.339 178.221 176.000 -0.197 0.000 0.977 394 Q CA 1.080 56.797 55.803 -0.142 0.000 0.850 394 Q CB -0.114 28.529 28.738 -0.159 0.000 0.901 394 Q HN 0.412 nan 8.270 nan 0.000 0.429 395 K N 0.545 120.737 120.400 -0.346 0.000 2.057 395 K HA -0.162 4.158 4.320 0.000 0.000 0.207 395 K C 1.771 178.414 176.600 0.071 0.000 1.049 395 K CA 1.074 57.218 56.287 -0.239 0.000 0.931 395 K CB 0.265 32.580 32.500 -0.307 0.000 0.714 395 K HN 0.064 nan 8.250 nan 0.000 0.440 396 E N 0.115 120.387 120.200 0.119 0.000 2.204 396 E HA -0.132 4.218 4.350 0.000 0.000 0.194 396 E C 1.823 178.553 176.600 0.216 0.000 0.989 396 E CA 0.972 57.528 56.400 0.260 0.000 0.824 396 E CB -0.110 29.727 29.700 0.228 0.000 0.756 396 E HN 0.394 nan 8.360 nan 0.000 0.477 397 A N 1.619 124.502 122.820 0.105 0.000 1.898 397 A HA -0.024 4.296 4.320 0.000 0.000 0.216 397 A C 2.451 180.070 177.584 0.059 0.000 1.181 397 A CA 1.807 53.890 52.037 0.075 0.000 0.620 397 A CB -0.592 18.426 19.000 0.030 0.000 0.819 397 A HN 0.260 nan 8.150 nan 0.000 0.442 398 A N -1.052 121.772 122.820 0.006 0.000 1.873 398 A HA -0.224 4.097 4.320 0.000 0.000 0.218 398 A C 2.015 179.582 177.584 -0.028 0.000 1.193 398 A CA 1.559 53.554 52.037 -0.071 0.000 0.629 398 A CB -1.088 17.803 19.000 -0.182 0.000 0.826 398 A HN 0.749 nan 8.150 nan 0.000 0.447 399 W N -0.501 120.807 121.300 0.013 0.000 2.333 399 W HA -0.139 4.522 4.660 0.001 0.000 0.316 399 W C 2.860 179.400 176.519 0.035 0.000 1.215 399 W CA 1.689 59.054 57.345 0.033 0.000 1.278 399 W CB -0.342 29.151 29.460 0.056 0.000 1.154 399 W HN 0.412 nan 8.180 nan 0.000 0.486 400 A N 0.055 123.047 122.820 0.286 0.000 1.948 400 A HA -0.239 4.081 4.320 0.000 0.000 0.220 400 A C 1.821 179.501 177.584 0.159 0.000 1.177 400 A CA 2.000 54.145 52.037 0.181 0.000 0.636 400 A CB -0.786 18.291 19.000 0.128 0.000 0.815 400 A HN 0.223 nan 8.150 nan 0.000 0.449 401 I N -1.088 119.538 120.570 0.094 0.000 2.193 401 I HA -0.128 4.042 4.170 0.000 0.000 0.240 401 I C 2.642 178.808 176.117 0.081 0.000 1.084 401 I CA 2.020 63.337 61.300 0.029 0.000 1.365 401 I CB -1.853 36.116 38.000 -0.051 0.000 1.064 401 I HN 0.362 nan 8.210 nan 0.000 0.410 402 T N 1.428 116.016 114.554 0.058 0.000 2.803 402 T HA -0.155 4.195 4.350 0.000 0.000 0.269 402 T C 1.689 176.468 174.700 0.132 0.000 1.052 402 T CA 1.713 63.845 62.100 0.053 0.000 1.136 402 T CB -0.141 68.701 68.868 -0.043 0.000 0.864 402 T HN 0.235 nan 8.240 nan 0.000 0.467 403 N N -0.079 118.737 118.700 0.193 0.000 2.135 403 N HA -0.030 4.710 4.740 0.000 0.000 0.186 403 N C 1.459 177.064 175.510 0.159 0.000 1.027 403 N CA 1.107 54.263 53.050 0.177 0.000 0.849 403 N CB -0.776 37.813 38.487 0.171 0.000 1.002 403 N HN 0.499 nan 8.380 nan 0.000 0.425 404 Y N 2.241 122.565 120.300 0.040 0.000 2.081 404 Y HA -0.262 4.288 4.550 0.000 0.000 0.280 404 Y C 2.550 178.459 175.900 0.015 0.000 1.163 404 Y CA 2.412 60.526 58.100 0.022 0.000 1.135 404 Y CB -0.975 37.499 38.460 0.023 0.000 0.970 404 Y HN 0.209 nan 8.280 nan 0.000 0.498 405 T N -3.197 111.571 114.554 0.356 0.000 2.962 405 T HA -0.157 4.193 4.350 0.000 0.000 0.270 405 T C 2.133 176.895 174.700 0.104 0.000 1.088 405 T CA 1.300 63.530 62.100 0.218 0.000 1.127 405 T CB -0.764 68.174 68.868 0.117 0.000 0.883 405 T HN 0.342 nan 8.240 nan 0.000 0.493 406 S N 0.721 116.475 115.700 0.090 0.000 2.414 406 S HA 0.231 4.701 4.470 0.000 0.000 0.227 406 S C 2.047 176.662 174.600 0.026 0.000 1.022 406 S CA 0.860 59.095 58.200 0.058 0.000 0.958 406 S CB -0.662 62.581 63.200 0.071 0.000 0.797 406 S HN 0.722 nan 8.310 nan 0.000 0.493 407 G N -0.192 108.609 108.800 0.001 0.000 3.192 407 G HA2 0.460 4.420 3.960 0.000 0.000 0.239 407 G HA3 0.460 4.420 3.960 0.000 0.000 0.239 407 G C 0.497 175.345 174.900 -0.086 0.000 1.084 407 G CA 0.230 45.308 45.100 -0.037 0.000 0.784 407 G HN 0.601 nan 8.290 nan 0.000 0.540 408 G N 0.628 109.357 108.800 -0.119 0.000 2.539 408 G HA2 0.428 4.388 3.960 0.000 0.000 0.258 408 G HA3 0.428 4.388 3.960 0.000 0.000 0.258 408 G C 0.576 175.425 174.900 -0.086 0.000 1.202 408 G CA 0.452 45.437 45.100 -0.191 0.000 0.851 408 G HN 0.358 nan 8.290 nan 0.000 0.556 409 T N -1.782 112.721 114.554 -0.085 0.000 2.788 409 T HA 0.169 4.519 4.350 0.000 0.000 0.287 409 T C 1.610 176.305 174.700 -0.008 0.000 1.007 409 T CA -0.216 61.860 62.100 -0.040 0.000 1.005 409 T CB 1.193 70.037 68.868 -0.040 0.000 1.012 409 T HN 0.175 nan 8.240 nan 0.000 0.530 410 V N 1.059 120.971 119.914 -0.002 0.000 2.255 410 V HA -0.157 3.963 4.120 0.000 0.000 0.247 410 V C 2.862 178.962 176.094 0.010 0.000 1.051 410 V CA 2.434 64.736 62.300 0.004 0.000 1.018 410 V CB -1.122 30.701 31.823 0.000 0.000 0.641 410 V HN 1.093 nan 8.190 nan 0.000 0.445 411 E N -0.290 119.916 120.200 0.010 0.000 2.118 411 E HA -0.306 4.044 4.350 0.000 0.000 0.195 411 E C 2.222 178.860 176.600 0.063 0.000 0.992 411 E CA 1.700 58.113 56.400 0.021 0.000 0.804 411 E CB -0.090 29.616 29.700 0.010 0.000 0.741 411 E HN 0.700 nan 8.360 nan 0.000 0.458 412 Q N -0.134 119.708 119.800 0.071 0.000 2.172 412 Q HA -0.062 4.278 4.340 0.000 0.000 0.200 412 Q C 2.262 178.461 176.000 0.332 0.000 0.964 412 Q CA 1.138 57.044 55.803 0.171 0.000 0.855 412 Q CB 0.083 28.825 28.738 0.006 0.000 0.918 412 Q HN 0.425 nan 8.270 nan 0.000 0.444 413 I N -0.275 120.416 120.570 0.203 0.000 2.439 413 I HA -0.206 3.965 4.170 0.000 0.000 0.251 413 I C 2.064 178.187 176.117 0.010 0.000 1.139 413 I CA 0.545 61.946 61.300 0.167 0.000 1.438 413 I CB -0.092 37.954 38.000 0.078 0.000 1.085 413 I HN 0.032 nan 8.210 nan 0.000 0.427 414 V N 0.482 120.373 119.914 -0.039 0.000 2.295 414 V HA -0.322 3.798 4.120 0.000 0.000 0.246 414 V C 2.342 178.243 176.094 -0.322 0.000 1.049 414 V CA 1.986 64.153 62.300 -0.222 0.000 1.024 414 V CB -0.716 30.987 31.823 -0.200 0.000 0.648 414 V HN 0.419 nan 8.190 nan 0.000 0.447 415 Y N 0.674 120.869 120.300 -0.175 0.000 2.128 415 Y HA -0.281 4.269 4.550 0.000 0.000 0.284 415 Y C 2.234 178.098 175.900 -0.059 0.000 1.154 415 Y CA 1.997 60.060 58.100 -0.062 0.000 1.149 415 Y CB -0.515 37.976 38.460 0.053 0.000 0.976 415 Y HN 0.225 nan 8.280 nan 0.000 0.505 416 L N -0.344 120.761 121.223 -0.197 0.000 2.043 416 L HA -0.187 4.154 4.340 0.000 0.000 0.212 416 L C 2.212 178.886 176.870 -0.327 0.000 1.075 416 L CA 1.896 56.512 54.840 -0.373 0.000 0.752 416 L CB -1.027 40.790 42.059 -0.404 0.000 0.891 416 L HN 0.184 nan 8.230 nan 0.000 0.432 417 V N -0.799 118.960 119.914 -0.259 0.000 2.379 417 V HA -0.300 3.820 4.120 0.000 0.000 0.245 417 V C 2.328 178.347 176.094 -0.125 0.000 1.044 417 V CA 2.039 64.218 62.300 -0.203 0.000 1.036 417 V CB -0.958 30.741 31.823 -0.206 0.000 0.664 417 V HN 0.605 nan 8.190 nan 0.000 0.453 418 H N -1.678 117.282 119.070 -0.183 0.000 2.489 418 H HA -0.174 4.382 4.556 0.000 0.000 0.295 418 H C 2.153 177.342 175.328 -0.231 0.000 1.082 418 H CA 1.235 57.184 56.048 -0.166 0.000 1.295 418 H CB -0.034 29.662 29.762 -0.109 0.000 1.380 418 H HN 0.401 nan 8.280 nan 0.000 0.548 419 C N 0.031 119.187 119.300 -0.239 0.000 2.562 419 C HA 0.162 4.622 4.460 0.000 0.000 0.266 419 C C 1.769 176.653 174.990 -0.176 0.000 1.382 419 C CA 0.822 59.675 59.018 -0.275 0.000 1.742 419 C CB -0.729 26.752 27.740 -0.431 0.000 1.812 419 C HN 0.872 nan 8.230 nan 0.000 0.559 420 G N 0.556 109.273 108.800 -0.139 0.000 2.140 420 G HA2 -0.233 3.728 3.960 0.000 0.000 0.211 420 G HA3 -0.233 3.728 3.960 0.000 0.000 0.211 420 G C 0.470 175.302 174.900 -0.113 0.000 1.013 420 G CA 0.274 45.310 45.100 -0.107 0.000 0.705 420 G HN 0.373 nan 8.290 nan 0.000 0.508 421 I N 0.561 121.046 120.570 -0.142 0.000 2.394 421 I HA 0.004 4.175 4.170 0.000 0.000 0.251 421 I C 2.507 178.560 176.117 -0.108 0.000 1.136 421 I CA 0.912 62.130 61.300 -0.137 0.000 1.425 421 I CB -0.133 37.758 38.000 -0.182 0.000 1.079 421 I HN 0.346 nan 8.210 nan 0.000 0.425 422 I N 0.503 121.010 120.570 -0.106 0.000 2.151 422 I HA -0.347 3.823 4.170 0.000 0.000 0.243 422 I C 2.450 178.532 176.117 -0.059 0.000 1.080 422 I CA 1.762 63.010 61.300 -0.087 0.000 1.339 422 I CB -1.458 36.490 38.000 -0.087 0.000 1.039 422 I HN 0.433 nan 8.210 nan 0.000 0.409 423 E N 1.162 121.331 120.200 -0.051 0.000 2.015 423 E HA -0.163 4.188 4.350 0.000 0.000 0.191 423 E C -0.582 175.999 176.600 -0.032 0.000 0.991 423 E CA 1.454 57.833 56.400 -0.036 0.000 0.802 423 E CB -0.688 28.992 29.700 -0.032 0.000 0.759 423 E HN 0.267 nan 8.360 nan 0.000 0.447 424 P HA -0.172 nan 4.420 nan 0.000 0.219 424 P C 1.589 178.873 177.300 -0.027 0.000 1.146 424 P CA 0.895 63.978 63.100 -0.028 0.000 0.808 424 P CB 0.023 31.703 31.700 -0.034 0.000 0.779 425 L N -1.223 119.975 121.223 -0.041 0.000 2.072 425 L HA -0.030 4.310 4.340 0.000 0.000 0.205 425 L C 2.543 179.397 176.870 -0.027 0.000 1.079 425 L CA 1.756 56.571 54.840 -0.042 0.000 0.752 425 L CB -1.153 40.870 42.059 -0.061 0.000 0.906 425 L HN -0.178 nan 8.230 nan 0.000 0.436 426 M N -0.562 119.025 119.600 -0.023 0.000 2.086 426 M HA -0.154 4.327 4.480 0.000 0.000 0.261 426 M C 1.942 178.239 176.300 -0.006 0.000 1.067 426 M CA 1.290 56.583 55.300 -0.012 0.000 1.116 426 M CB -1.605 30.988 32.600 -0.012 0.000 1.348 426 M HN 0.283 nan 8.290 nan 0.000 0.407 427 N N 0.687 119.384 118.700 -0.004 0.000 2.272 427 N HA -0.081 4.659 4.740 0.000 0.000 0.185 427 N C 1.752 177.275 175.510 0.021 0.000 1.014 427 N CA 0.926 53.980 53.050 0.006 0.000 0.870 427 N CB -0.483 38.008 38.487 0.007 0.000 0.975 427 N HN 0.385 nan 8.380 nan 0.000 0.433 428 L N 0.270 121.507 121.223 0.024 0.000 2.465 428 L HA 0.045 4.385 4.340 0.000 0.000 0.224 428 L C 1.693 178.591 176.870 0.046 0.000 1.145 428 L CA 0.202 55.073 54.840 0.052 0.000 0.834 428 L CB -0.173 41.910 42.059 0.040 0.000 0.944 428 L HN 0.150 nan 8.230 nan 0.000 0.451 429 L N -1.099 120.134 121.223 0.016 0.000 2.456 429 L HA -0.121 4.219 4.340 0.000 0.000 0.224 429 L C 2.091 178.965 176.870 0.007 0.000 1.148 429 L CA 0.532 55.373 54.840 0.001 0.000 0.825 429 L CB -0.183 41.870 42.059 -0.010 0.000 0.937 429 L HN 0.159 nan 8.230 nan 0.000 0.450 430 S N -0.185 115.527 115.700 0.019 0.000 2.603 430 S HA 0.193 4.663 4.470 0.000 0.000 0.220 430 S C 0.921 175.531 174.600 0.018 0.000 0.967 430 S CA -0.007 58.203 58.200 0.017 0.000 0.920 430 S CB -0.116 63.092 63.200 0.014 0.000 0.773 430 S HN 0.358 nan 8.310 nan 0.000 0.529 431 A N 2.031 124.872 122.820 0.035 0.000 2.371 431 A HA 0.368 4.689 4.320 0.000 0.000 0.257 431 A C 0.320 177.902 177.584 -0.003 0.000 1.089 431 A CA -0.386 51.662 52.037 0.019 0.000 0.794 431 A CB 0.338 19.422 19.000 0.141 0.000 1.029 431 A HN 0.107 nan 8.150 nan 0.000 0.488 432 K N 2.795 123.153 120.400 -0.069 0.000 2.222 432 K HA 0.226 4.546 4.320 0.000 0.000 0.243 432 K C -0.975 175.606 176.600 -0.032 0.000 1.160 432 K CA 0.183 56.449 56.287 -0.035 0.000 1.090 432 K CB -0.055 32.407 32.500 -0.063 0.000 1.694 432 K HN 0.674 nan 8.250 nan 0.000 0.361 433 D N 1.210 121.636 120.400 0.044 0.000 2.296 433 D HA -0.055 4.585 4.640 0.000 0.000 0.224 433 D C 0.890 177.248 176.300 0.097 0.000 1.324 433 D CA 0.002 54.059 54.000 0.095 0.000 0.940 433 D CB 1.014 41.936 40.800 0.203 0.000 1.492 433 D HN 0.312 nan 8.370 nan 0.000 0.531 434 T N 1.010 115.625 114.554 0.102 0.000 2.822 434 T HA -0.233 4.118 4.350 0.000 0.000 0.270 434 T C 1.657 176.380 174.700 0.038 0.000 1.064 434 T CA 1.099 63.248 62.100 0.083 0.000 1.131 434 T CB 0.222 69.182 68.868 0.152 0.000 0.858 434 T HN 0.146 nan 8.240 nan 0.000 0.483 435 K N 1.280 121.721 120.400 0.067 0.000 2.031 435 K HA 0.225 4.545 4.320 0.000 0.000 0.205 435 K C 2.119 178.697 176.600 -0.037 0.000 1.049 435 K CA 1.120 57.435 56.287 0.046 0.000 0.939 435 K CB -0.916 31.654 32.500 0.117 0.000 0.717 435 K HN 0.505 nan 8.250 nan 0.000 0.438 436 I N 0.270 120.842 120.570 0.003 0.000 2.454 436 I HA -0.203 3.968 4.170 0.000 0.000 0.254 436 I C 1.601 177.655 176.117 -0.104 0.000 1.156 436 I CA 1.081 62.336 61.300 -0.076 0.000 1.433 436 I CB 0.066 38.092 38.000 0.044 0.000 1.082 436 I HN 0.178 nan 8.210 nan 0.000 0.432 437 I N 0.418 120.949 120.570 -0.065 0.000 2.252 437 I HA -0.293 3.877 4.170 0.000 0.000 0.245 437 I C 2.418 178.465 176.117 -0.118 0.000 1.102 437 I CA 1.207 62.450 61.300 -0.095 0.000 1.385 437 I CB -0.410 37.509 38.000 -0.136 0.000 1.064 437 I HN 0.308 nan 8.210 nan 0.000 0.414 438 Q N 0.164 119.892 119.800 -0.120 0.000 2.119 438 Q HA -0.133 4.208 4.340 0.000 0.000 0.201 438 Q C 2.429 178.329 176.000 -0.167 0.000 0.972 438 Q CA 1.264 56.998 55.803 -0.117 0.000 0.847 438 Q CB -0.136 28.550 28.738 -0.086 0.000 0.903 438 Q HN 0.377 nan 8.270 nan 0.000 0.433 439 V N 1.038 120.788 119.914 -0.273 0.000 2.358 439 V HA -0.242 3.879 4.120 0.000 0.000 0.246 439 V C 2.098 178.037 176.094 -0.258 0.000 1.047 439 V CA 1.526 63.575 62.300 -0.419 0.000 1.035 439 V CB -0.389 30.980 31.823 -0.756 0.000 0.658 439 V HN 0.335 nan 8.190 nan 0.000 0.452 440 I N -0.578 119.880 120.570 -0.187 0.000 2.193 440 I HA -0.198 3.973 4.170 0.000 0.000 0.240 440 I C 2.351 178.429 176.117 -0.066 0.000 1.084 440 I CA 1.407 62.638 61.300 -0.115 0.000 1.365 440 I CB -0.359 37.590 38.000 -0.084 0.000 1.064 440 I HN 0.230 nan 8.210 nan 0.000 0.410 441 L N 0.340 121.530 121.223 -0.056 0.000 2.081 441 L HA -0.293 4.047 4.340 0.000 0.000 0.212 441 L C 2.353 179.226 176.870 0.004 0.000 1.080 441 L CA 1.365 56.200 54.840 -0.009 0.000 0.754 441 L CB -0.752 41.295 42.059 -0.019 0.000 0.893 441 L HN 0.367 nan 8.230 nan 0.000 0.433 442 D N 0.093 120.472 120.400 -0.035 0.000 2.092 442 D HA -0.193 4.447 4.640 0.000 0.000 0.193 442 D C 2.154 178.453 176.300 -0.001 0.000 0.994 442 D CA 1.656 55.644 54.000 -0.020 0.000 0.828 442 D CB 0.230 40.995 40.800 -0.059 0.000 0.963 442 D HN 0.314 nan 8.370 nan 0.000 0.450 443 A N 1.199 124.002 122.820 -0.028 0.000 1.902 443 A HA -0.171 4.150 4.320 0.000 0.000 0.217 443 A C 2.226 179.804 177.584 -0.010 0.000 1.181 443 A CA 1.084 53.110 52.037 -0.019 0.000 0.623 443 A CB -0.547 18.426 19.000 -0.045 0.000 0.818 443 A HN 0.257 nan 8.150 nan 0.000 0.443 444 I N 0.107 120.681 120.570 0.007 0.000 2.163 444 I HA -0.215 3.956 4.170 0.000 0.000 0.243 444 I C 2.740 178.922 176.117 0.108 0.000 1.085 444 I CA 1.922 63.245 61.300 0.038 0.000 1.347 444 I CB -1.740 36.338 38.000 0.131 0.000 1.044 444 I HN 0.433 nan 8.210 nan 0.000 0.408 445 S N 1.602 117.382 115.700 0.133 0.000 2.359 445 S HA -0.230 4.240 4.470 0.000 0.000 0.222 445 S C 1.874 176.537 174.600 0.105 0.000 1.038 445 S CA 1.950 60.243 58.200 0.155 0.000 1.051 445 S CB -0.330 62.941 63.200 0.119 0.000 0.944 445 S HN 0.462 nan 8.310 nan 0.000 0.433 446 N N 1.379 120.115 118.700 0.060 0.000 2.149 446 N HA -0.077 4.663 4.740 0.000 0.000 0.188 446 N C 1.880 177.396 175.510 0.009 0.000 1.019 446 N CA 1.688 54.764 53.050 0.042 0.000 0.857 446 N CB -0.554 37.956 38.487 0.040 0.000 0.997 446 N HN 0.528 nan 8.380 nan 0.000 0.426 447 I N 0.019 120.564 120.570 -0.043 0.000 2.202 447 I HA -0.221 3.950 4.170 0.000 0.000 0.242 447 I C 1.888 177.890 176.117 -0.191 0.000 1.091 447 I CA 0.939 62.157 61.300 -0.136 0.000 1.368 447 I CB -0.351 37.511 38.000 -0.231 0.000 1.058 447 I HN -0.095 nan 8.210 nan 0.000 0.410 448 F N 1.384 121.185 119.950 -0.247 0.000 2.126 448 F HA -0.253 4.274 4.527 0.000 0.000 0.299 448 F C 2.747 178.393 175.800 -0.256 0.000 1.096 448 F CA 1.595 59.321 58.000 -0.456 0.000 1.255 448 F CB -0.684 37.670 39.000 -1.076 0.000 0.997 448 F HN 0.088 nan 8.300 nan 0.000 0.479 449 Q N -0.669 119.176 119.800 0.076 0.000 2.135 449 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 449 Q C 2.423 178.457 176.000 0.058 0.000 0.981 449 Q CA 1.508 57.373 55.803 0.104 0.000 0.856 449 Q CB -0.396 28.399 28.738 0.095 0.000 0.902 449 Q HN 0.461 nan 8.270 nan 0.000 0.425 450 A N 0.509 123.337 122.820 0.014 0.000 1.929 450 A HA 0.008 4.328 4.320 0.000 0.000 0.216 450 A C 2.216 179.796 177.584 -0.007 0.000 1.176 450 A CA 1.255 53.292 52.037 0.000 0.000 0.628 450 A CB -0.530 18.459 19.000 -0.018 0.000 0.816 450 A HN 0.387 nan 8.150 nan 0.000 0.444 451 A N -0.218 122.584 122.820 -0.031 0.000 1.930 451 A HA -0.144 4.177 4.320 0.000 0.000 0.217 451 A C 1.935 179.541 177.584 0.038 0.000 1.175 451 A CA 1.742 53.764 52.037 -0.024 0.000 0.627 451 A CB -0.511 18.442 19.000 -0.078 0.000 0.815 451 A HN 0.624 nan 8.150 nan 0.000 0.443 452 E N 0.105 120.354 120.200 0.082 0.000 2.160 452 E HA -0.189 4.161 4.350 0.000 0.000 0.195 452 E C 1.594 178.237 176.600 0.072 0.000 0.991 452 E CA 1.338 57.811 56.400 0.121 0.000 0.810 452 E CB -0.088 29.725 29.700 0.189 0.000 0.742 452 E HN 0.593 nan 8.360 nan 0.000 0.466 453 K N -0.412 120.019 120.400 0.051 0.000 2.525 453 K HA 0.017 4.337 4.320 0.000 0.000 0.192 453 K C 1.065 177.680 176.600 0.025 0.000 1.029 453 K CA 0.348 56.656 56.287 0.034 0.000 1.029 453 K CB 0.342 32.858 32.500 0.026 0.000 0.814 453 K HN 0.231 nan 8.250 nan 0.000 0.503 454 L N -1.309 119.930 121.223 0.026 0.000 3.086 454 L HA 0.223 4.563 4.340 0.000 0.000 0.274 454 L C 0.788 177.673 176.870 0.025 0.000 1.184 454 L CA -0.115 54.737 54.840 0.020 0.000 1.002 454 L CB 1.020 43.085 42.059 0.011 0.000 1.383 454 L HN 0.230 nan 8.230 nan 0.000 0.582 455 G N 0.866 109.688 108.800 0.036 0.000 2.179 455 G HA2 -0.253 3.708 3.960 0.000 0.000 0.257 455 G HA3 -0.253 3.708 3.960 0.000 0.000 0.257 455 G C 0.513 175.437 174.900 0.039 0.000 1.010 455 G CA 0.345 45.468 45.100 0.039 0.000 0.736 455 G HN 0.442 nan 8.290 nan 0.000 0.513 456 E N -0.007 120.215 120.200 0.036 0.000 2.501 456 E HA 0.033 4.384 4.350 0.000 0.000 0.200 456 E C 2.259 178.881 176.600 0.037 0.000 1.016 456 E CA 0.746 57.162 56.400 0.026 0.000 0.921 456 E CB -0.040 29.662 29.700 0.004 0.000 1.034 456 E HN 0.712 nan 8.360 nan 0.000 0.468 457 T N -0.695 113.908 114.554 0.082 0.000 2.699 457 T HA -0.253 4.097 4.350 0.000 0.000 0.268 457 T C 1.863 176.655 174.700 0.153 0.000 1.036 457 T CA 1.502 63.699 62.100 0.162 0.000 1.147 457 T CB -0.098 68.910 68.868 0.233 0.000 0.862 457 T HN 0.192 nan 8.240 nan 0.000 0.446 458 E N 1.394 121.651 120.200 0.096 0.000 2.031 458 E HA -0.182 4.168 4.350 0.000 0.000 0.193 458 E C 2.319 178.970 176.600 0.086 0.000 0.994 458 E CA 1.109 57.559 56.400 0.083 0.000 0.800 458 E CB -0.079 29.658 29.700 0.063 0.000 0.752 458 E HN 0.536 nan 8.360 nan 0.000 0.447 459 K N 0.223 120.657 120.400 0.056 0.000 2.113 459 K HA -0.208 4.112 4.320 0.000 0.000 0.208 459 K C 2.259 178.873 176.600 0.024 0.000 1.047 459 K CA 1.100 57.410 56.287 0.040 0.000 0.928 459 K CB -0.279 32.235 32.500 0.023 0.000 0.716 459 K HN 0.183 nan 8.250 nan 0.000 0.446 460 L N 1.347 122.561 121.223 -0.016 0.000 2.109 460 L HA -0.085 4.255 4.340 0.000 0.000 0.207 460 L C 2.039 178.920 176.870 0.017 0.000 1.086 460 L CA 1.642 56.401 54.840 -0.135 0.000 0.760 460 L CB -0.455 41.341 42.059 -0.438 0.000 0.910 460 L HN -0.021 nan 8.230 nan 0.000 0.437 461 S N -0.150 115.672 115.700 0.203 0.000 2.359 461 S HA -0.181 4.289 4.470 0.000 0.000 0.224 461 S C 1.891 176.765 174.600 0.456 0.000 1.035 461 S CA 1.708 60.173 58.200 0.443 0.000 1.018 461 S CB -0.452 62.855 63.200 0.180 0.000 0.876 461 S HN 0.363 nan 8.310 nan 0.000 0.448 462 I N 1.979 122.691 120.570 0.236 0.000 2.069 462 I HA -0.237 3.934 4.170 0.000 0.000 0.237 462 I C 2.466 178.656 176.117 0.123 0.000 1.053 462 I CA 1.551 62.948 61.300 0.161 0.000 1.311 462 I CB -0.600 37.457 38.000 0.095 0.000 1.030 462 I HN 0.263 nan 8.210 nan 0.000 0.398 463 M N -0.534 119.114 119.600 0.080 0.000 2.088 463 M HA -0.297 4.183 4.480 0.000 0.000 0.256 463 M C 2.368 178.699 176.300 0.051 0.000 1.071 463 M CA 2.097 57.420 55.300 0.039 0.000 1.097 463 M CB -0.661 31.935 32.600 -0.007 0.000 1.315 463 M HN 0.219 nan 8.290 nan 0.000 0.406 464 I N -0.701 119.933 120.570 0.106 0.000 2.493 464 I HA -0.250 3.920 4.170 0.000 0.000 0.254 464 I C 2.370 178.519 176.117 0.053 0.000 1.160 464 I CA 1.204 62.573 61.300 0.115 0.000 1.445 464 I CB -0.410 37.770 38.000 0.299 0.000 1.086 464 I HN 0.402 nan 8.210 nan 0.000 0.433 465 E N 0.982 121.236 120.200 0.090 0.000 2.158 465 E HA -0.159 4.191 4.350 0.000 0.000 0.191 465 E C 1.951 178.555 176.600 0.007 0.000 0.982 465 E CA 0.622 57.027 56.400 0.008 0.000 0.823 465 E CB 0.214 29.966 29.700 0.087 0.000 0.766 465 E HN 0.444 nan 8.360 nan 0.000 0.468 466 E N -0.243 119.975 120.200 0.029 0.000 2.208 466 E HA -0.131 4.220 4.350 0.000 0.000 0.193 466 E C 1.598 178.199 176.600 0.001 0.000 0.988 466 E CA 1.085 57.495 56.400 0.015 0.000 0.828 466 E CB 0.061 29.773 29.700 0.020 0.000 0.763 466 E HN 0.416 nan 8.360 nan 0.000 0.478 467 C N -0.736 118.563 119.300 -0.003 0.000 2.470 467 C HA 0.690 5.150 4.460 0.000 0.000 0.311 467 C C 1.415 176.395 174.990 -0.016 0.000 1.387 467 C CA -0.271 58.741 59.018 -0.010 0.000 1.783 467 C CB -0.747 26.986 27.740 -0.011 0.000 2.416 467 C HN 0.443 nan 8.230 nan 0.000 0.558 468 G N 0.644 109.430 108.800 -0.023 0.000 2.155 468 G HA2 -0.164 3.796 3.960 0.000 0.000 0.257 468 G HA3 -0.164 3.796 3.960 0.000 0.000 0.257 468 G C 1.075 175.950 174.900 -0.041 0.000 0.983 468 G CA 0.424 45.505 45.100 -0.031 0.000 0.676 468 G HN 1.062 nan 8.290 nan 0.000 0.528 469 G N 0.334 109.108 108.800 -0.043 0.000 2.484 469 G HA2 0.050 4.010 3.960 0.000 0.000 0.215 469 G HA3 0.050 4.010 3.960 0.000 0.000 0.215 469 G C 1.720 176.561 174.900 -0.098 0.000 1.219 469 G CA 1.485 46.559 45.100 -0.044 0.000 0.791 469 G HN 1.002 nan 8.290 nan 0.000 0.550 470 L N 0.950 122.047 121.223 -0.210 0.000 2.127 470 L HA -0.041 4.300 4.340 0.000 0.000 0.211 470 L C 1.900 178.655 176.870 -0.192 0.000 1.089 470 L CA 2.096 56.721 54.840 -0.357 0.000 0.757 470 L CB -0.619 41.080 42.059 -0.601 0.000 0.899 470 L HN 0.194 nan 8.230 nan 0.000 0.434 471 D N -1.203 119.121 120.400 -0.126 0.000 2.403 471 D HA -0.118 4.522 4.640 0.000 0.000 0.227 471 D C 1.671 177.942 176.300 -0.049 0.000 0.995 471 D CA 0.788 54.743 54.000 -0.075 0.000 0.928 471 D CB 0.196 40.965 40.800 -0.053 0.000 0.887 471 D HN 0.459 nan 8.370 nan 0.000 0.529 472 K N -1.247 119.123 120.400 -0.050 0.000 2.462 472 K HA 0.210 4.530 4.320 0.000 0.000 0.201 472 K C 1.731 178.322 176.600 -0.016 0.000 1.268 472 K CA -0.049 56.224 56.287 -0.024 0.000 0.933 472 K CB 0.652 33.141 32.500 -0.018 0.000 1.162 472 K HN 0.088 nan 8.250 nan 0.000 0.527 473 I N 2.195 122.749 120.570 -0.027 0.000 2.252 473 I HA -0.194 3.976 4.170 0.000 0.000 0.245 473 I C 1.963 178.086 176.117 0.009 0.000 1.102 473 I CA 1.402 62.703 61.300 0.002 0.000 1.385 473 I CB -0.183 37.828 38.000 0.019 0.000 1.064 473 I HN 0.178 nan 8.210 nan 0.000 0.414 474 E N 1.156 121.343 120.200 -0.022 0.000 2.153 474 E HA -0.206 4.144 4.350 0.000 0.000 0.194 474 E C 2.347 178.956 176.600 0.016 0.000 0.988 474 E CA 1.261 57.657 56.400 -0.007 0.000 0.811 474 E CB -0.133 29.547 29.700 -0.034 0.000 0.746 474 E HN 0.530 nan 8.360 nan 0.000 0.466 475 A N 1.451 124.278 122.820 0.012 0.000 1.855 475 A HA -0.125 4.195 4.320 0.000 0.000 0.215 475 A C 2.168 179.792 177.584 0.068 0.000 1.191 475 A CA 0.924 52.980 52.037 0.031 0.000 0.613 475 A CB -0.660 18.353 19.000 0.022 0.000 0.829 475 A HN 0.138 nan 8.150 nan 0.000 0.442 476 L N -0.424 120.836 121.223 0.061 0.000 2.450 476 L HA -0.175 4.166 4.340 0.000 0.000 0.224 476 L C 2.608 179.572 176.870 0.156 0.000 1.149 476 L CA 1.171 56.063 54.840 0.086 0.000 0.816 476 L CB -0.530 41.517 42.059 -0.020 0.000 0.932 476 L HN 0.588 nan 8.230 nan 0.000 0.449 477 Q N 0.319 120.191 119.800 0.119 0.000 2.224 477 Q HA -0.114 4.227 4.340 0.000 0.000 0.203 477 Q C 1.647 177.726 176.000 0.132 0.000 0.970 477 Q CA 0.913 56.800 55.803 0.139 0.000 0.865 477 Q CB 0.309 29.097 28.738 0.083 0.000 0.922 477 Q HN 0.356 nan 8.270 nan 0.000 0.445 478 R N -0.526 120.035 120.500 0.102 0.000 2.359 478 R HA 0.103 4.443 4.340 0.000 0.000 0.231 478 R C 0.032 176.387 176.300 0.093 0.000 0.913 478 R CA -0.057 56.071 56.100 0.047 0.000 1.075 478 R CB -0.365 29.948 30.300 0.020 0.000 1.087 478 R HN 0.308 nan 8.270 nan 0.000 0.515 479 H N 1.810 120.932 119.070 0.088 0.000 2.830 479 H HA -0.077 4.479 4.556 0.001 0.000 0.382 479 H C 1.292 176.711 175.328 0.151 0.000 1.423 479 H CA 1.129 57.243 56.048 0.110 0.000 1.464 479 H CB 0.969 30.808 29.762 0.129 0.000 1.495 479 H HN 0.147 nan 8.280 nan 0.000 0.617 480 E N -0.113 119.868 120.200 -0.365 0.000 2.110 480 E HA -0.042 4.308 4.350 0.000 0.000 0.193 480 E C 0.303 176.993 176.600 0.150 0.000 0.950 480 E CA 0.066 56.405 56.400 -0.102 0.000 0.840 480 E CB -0.247 29.324 29.700 -0.215 0.000 0.809 480 E HN 0.478 nan 8.360 nan 0.000 0.465 481 N N 1.850 120.631 118.700 0.134 0.000 2.365 481 N HA -0.145 4.596 4.740 0.000 0.000 0.265 481 N C 0.770 176.340 175.510 0.100 0.000 1.288 481 N CA 0.554 53.722 53.050 0.197 0.000 0.869 481 N CB 0.783 39.423 38.487 0.255 0.000 1.071 481 N HN 0.433 nan 8.380 nan 0.000 0.480 482 E N 3.066 123.252 120.200 -0.023 0.000 2.086 482 E HA -0.274 4.077 4.350 0.000 0.000 0.200 482 E C 1.424 177.685 176.600 -0.566 0.000 1.012 482 E CA 1.954 58.104 56.400 -0.416 0.000 0.812 482 E CB -0.320 29.305 29.700 -0.125 0.000 0.743 482 E HN 0.634 nan 8.360 nan 0.000 0.453 483 S N -1.113 114.447 115.700 -0.233 0.000 2.400 483 S HA -0.125 4.345 4.470 0.000 0.000 0.232 483 S C 1.768 176.261 174.600 -0.178 0.000 1.025 483 S CA 1.210 59.307 58.200 -0.173 0.000 0.993 483 S CB -0.177 62.980 63.200 -0.072 0.000 0.808 483 S HN 0.268 nan 8.310 nan 0.000 0.478 484 V N 1.593 121.422 119.914 -0.142 0.000 2.251 484 V HA -0.081 4.040 4.120 0.000 0.000 0.237 484 V C 2.186 178.251 176.094 -0.049 0.000 1.040 484 V CA 1.867 64.117 62.300 -0.084 0.000 1.005 484 V CB -1.388 30.398 31.823 -0.061 0.000 0.645 484 V HN 0.759 nan 8.190 nan 0.000 0.458 485 Y N 1.367 121.725 120.300 0.098 0.000 2.228 485 Y HA -0.219 4.332 4.550 0.000 0.000 0.285 485 Y C 2.176 178.108 175.900 0.052 0.000 1.178 485 Y CA 1.388 59.537 58.100 0.082 0.000 1.202 485 Y CB -1.082 37.435 38.460 0.095 0.000 0.974 485 Y HN 0.133 nan 8.280 nan 0.000 0.527 486 K N 0.847 121.083 120.400 -0.273 0.000 1.985 486 K HA -0.098 4.222 4.320 0.000 0.000 0.210 486 K C 2.602 179.200 176.600 -0.004 0.000 1.047 486 K CA 1.283 57.510 56.287 -0.100 0.000 0.932 486 K CB -0.577 31.775 32.500 -0.247 0.000 0.716 486 K HN 0.437 nan 8.250 nan 0.000 0.439 487 A N 1.284 124.080 122.820 -0.039 0.000 1.917 487 A HA -0.205 4.115 4.320 0.000 0.000 0.219 487 A C 2.303 179.917 177.584 0.050 0.000 1.182 487 A CA 2.109 54.149 52.037 0.006 0.000 0.633 487 A CB -0.644 18.349 19.000 -0.012 0.000 0.819 487 A HN 0.212 nan 8.150 nan 0.000 0.448 488 S N -0.610 115.126 115.700 0.060 0.000 2.344 488 S HA -0.160 4.310 4.470 0.000 0.000 0.217 488 S C 1.892 176.555 174.600 0.106 0.000 1.033 488 S CA 1.447 59.700 58.200 0.089 0.000 1.017 488 S CB -0.599 62.661 63.200 0.101 0.000 0.941 488 S HN 0.552 nan 8.310 nan 0.000 0.430 489 L N 3.031 124.329 121.223 0.126 0.000 2.064 489 L HA -0.211 4.130 4.340 0.000 0.000 0.216 489 L C 1.947 178.863 176.870 0.076 0.000 1.077 489 L CA 1.934 56.841 54.840 0.112 0.000 0.766 489 L CB -0.947 41.202 42.059 0.150 0.000 0.890 489 L HN 0.275 nan 8.230 nan 0.000 0.435 490 N N -0.016 118.722 118.700 0.063 0.000 2.039 490 N HA -0.199 4.541 4.740 0.000 0.000 0.193 490 N C 1.910 177.432 175.510 0.021 0.000 1.044 490 N CA 2.250 55.314 53.050 0.024 0.000 0.847 490 N CB -0.445 38.054 38.487 0.020 0.000 1.030 490 N HN 0.510 nan 8.380 nan 0.000 0.422 491 L N 0.556 121.834 121.223 0.091 0.000 2.129 491 L HA -0.177 4.164 4.340 0.000 0.000 0.212 491 L C 2.260 179.257 176.870 0.212 0.000 1.087 491 L CA 0.639 55.576 54.840 0.162 0.000 0.757 491 L CB -0.372 41.827 42.059 0.232 0.000 0.896 491 L HN 0.245 nan 8.230 nan 0.000 0.434 492 I N 0.262 120.951 120.570 0.198 0.000 2.252 492 I HA -0.239 3.931 4.170 0.000 0.000 0.245 492 I C 2.577 178.779 176.117 0.141 0.000 1.102 492 I CA 1.731 63.169 61.300 0.231 0.000 1.385 492 I CB -0.934 37.140 38.000 0.124 0.000 1.064 492 I HN 0.517 nan 8.210 nan 0.000 0.414 493 E N 0.915 121.133 120.200 0.031 0.000 2.216 493 E HA -0.158 4.192 4.350 0.000 0.000 0.192 493 E C 2.078 178.587 176.600 -0.152 0.000 0.973 493 E CA 0.324 56.704 56.400 -0.034 0.000 0.851 493 E CB -0.264 29.416 29.700 -0.033 0.000 0.804 493 E HN 0.320 nan 8.360 nan 0.000 0.477 494 K N -0.682 119.553 120.400 -0.276 0.000 2.418 494 K HA -0.035 4.286 4.320 0.000 0.000 0.195 494 K C 0.264 176.284 176.600 -0.967 0.000 1.035 494 K CA 0.748 56.678 56.287 -0.596 0.000 1.003 494 K CB 0.257 32.319 32.500 -0.730 0.000 0.793 494 K HN 0.192 nan 8.250 nan 0.000 0.494 495 Y N -2.652 117.394 120.300 -0.423 0.000 2.438 495 Y HA 0.210 4.760 4.550 0.000 0.000 0.274 495 Y C 0.500 175.953 175.900 -0.746 0.000 1.085 495 Y CA -0.658 57.002 58.100 -0.734 0.000 1.199 495 Y CB 0.485 38.045 38.460 -1.501 0.000 1.317 495 Y HN -0.126 nan 8.280 nan 0.000 0.545 496 F N -0.453 119.480 119.950 -0.028 0.000 3.034 496 F HA 0.661 5.189 4.527 0.000 0.000 0.165 496 F C 1.746 177.542 175.800 -0.008 0.000 1.484 496 F CA -0.411 57.595 58.000 0.009 0.000 0.903 496 F CB -0.948 38.067 39.000 0.025 0.000 2.041 496 F HN -0.165 nan 8.300 nan 0.000 0.436 497 S N 0.000 115.852 115.700 0.253 0.000 2.498 497 S HA 0.000 4.470 4.470 0.000 0.000 0.327 497 S CA 0.000 58.267 58.200 0.112 0.000 1.107 497 S CB 0.000 63.248 63.200 0.079 0.000 0.593 497 S HN 0.000 nan 8.310 nan 0.000 0.517