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 2g4c_1_C DATA FIRST_RESID 67 DATA SEQUENCE EALLEICQRR HFLSGSKQQL SRDSLLSGCH PGFGPLGVEL RKNLAAEWWT DATA SEQUENCE SVVVFREQVF PVDALHHKPG PLLPGDSAFR LVSAETLREI LQDKELSKEQ DATA SEQUENCE LVTFLENVLK TSGKLRENLL HGALEHYVNC LDLVNKRLPY GLAQIGVCFH DATA SEQUENCE PVXXXXXXXX XXKSIGEKTE ASLVWFTPPR TSNQWLDFWL RHRLQWWRKF DATA SEQUENCE AMSPSNFSSS DCQDEEGRKG NKLYYNFPWG KELIETLWNL GDHELLHMYP DATA SEQUENCE GNVSKLHGRD GRKNVVPCVL SVNGDLDRGM LAYLYDSFQX XXXXXXXXXX DATA SEQUENCE XHRKVLKLHP CLAPIKVALD VGRGPTLELR QVCQGLFNEL LENGISVWPG DATA SEQUENCE YLETMQSSLE QLYSKYDEMS ILFTVLVTET TLENGLIHLR SRDTTMKEMM DATA SEQUENCE HISKLKDFLI KYISSAKNV 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 67 E HA 0.000 nan 4.350 nan 0.000 0.291 67 E C 0.000 176.627 176.600 0.045 0.000 1.382 67 E CA 0.000 56.444 56.400 0.073 0.000 0.976 67 E CB 0.000 29.773 29.700 0.122 0.000 0.812 68 A N 0.454 123.343 122.820 0.116 0.000 2.016 68 A HA 0.120 4.601 4.320 0.268 0.000 0.217 68 A C 1.983 179.508 177.584 -0.098 0.000 1.162 68 A CA 1.530 53.655 52.037 0.146 0.000 0.662 68 A CB -0.315 18.899 19.000 0.357 0.000 0.812 68 A HN 0.208 nan 8.150 nan 0.000 0.450 69 L N -0.886 120.133 121.223 -0.339 0.000 2.127 69 L HA 0.099 4.599 4.340 0.268 0.000 0.203 69 L C 2.021 178.588 176.870 -0.505 0.000 1.080 69 L CA 1.190 55.439 54.840 -0.985 0.000 0.768 69 L CB -0.462 40.998 42.059 -0.998 0.000 0.924 69 L HN 0.285 nan 8.230 nan 0.000 0.444 70 L N -0.222 120.841 121.223 -0.267 0.000 2.017 70 L HA -0.177 4.324 4.340 0.268 0.000 0.208 70 L C 2.542 179.349 176.870 -0.105 0.000 1.073 70 L CA 1.841 56.595 54.840 -0.142 0.000 0.745 70 L CB -1.009 41.025 42.059 -0.041 0.000 0.894 70 L HN 0.420 nan 8.230 nan 0.000 0.432 71 E N 0.384 120.533 120.200 -0.085 0.000 2.038 71 E HA -0.242 4.268 4.350 0.268 0.000 0.195 71 E C 2.313 178.870 176.600 -0.071 0.000 1.000 71 E CA 1.648 58.014 56.400 -0.056 0.000 0.803 71 E CB -0.255 29.428 29.700 -0.029 0.000 0.750 71 E HN 0.555 nan 8.360 nan 0.000 0.448 72 I N 0.310 120.814 120.570 -0.109 0.000 2.091 72 I HA -0.394 3.937 4.170 0.268 0.000 0.239 72 I C 2.752 178.851 176.117 -0.030 0.000 1.061 72 I CA 1.263 62.509 61.300 -0.090 0.000 1.317 72 I CB -0.455 37.438 38.000 -0.178 0.000 1.031 72 I HN 0.185 nan 8.210 nan 0.000 0.401 73 C N 0.124 119.385 119.300 -0.065 0.000 2.398 73 C HA -0.221 4.400 4.460 0.268 0.000 0.282 73 C C 2.773 177.823 174.990 0.100 0.000 1.275 73 C CA 1.223 60.293 59.018 0.086 0.000 1.797 73 C CB -1.291 26.413 27.740 -0.061 0.000 1.991 73 C HN 0.567 nan 8.230 nan 0.000 0.505 74 Q N 0.181 119.977 119.800 -0.006 0.000 1.990 74 Q HA -0.072 4.429 4.340 0.268 0.000 0.195 74 Q C 2.560 178.469 176.000 -0.151 0.000 0.977 74 Q CA 0.739 56.512 55.803 -0.050 0.000 0.828 74 Q CB -0.192 28.517 28.738 -0.048 0.000 0.896 74 Q HN 0.549 nan 8.270 nan 0.000 0.447 75 R N -0.110 120.313 120.500 -0.129 0.000 2.133 75 R HA -0.103 4.398 4.340 0.268 0.000 0.247 75 R C 1.713 177.874 176.300 -0.233 0.000 1.151 75 R CA 1.154 57.151 56.100 -0.170 0.000 0.971 75 R CB -0.087 30.166 30.300 -0.079 0.000 0.866 75 R HN 0.112 nan 8.270 nan 0.000 0.447 76 R N 0.399 120.828 120.500 -0.118 0.000 2.391 76 R HA 0.054 4.554 4.340 0.268 0.000 0.249 76 R C -0.482 175.750 176.300 -0.114 0.000 0.957 76 R CA 0.018 56.076 56.100 -0.070 0.000 1.093 76 R CB -0.607 29.707 30.300 0.024 0.000 1.156 76 R HN 0.387 nan 8.270 nan 0.000 0.526 77 H N -0.803 118.209 119.070 -0.097 0.000 2.750 77 H HA -0.206 4.511 4.556 0.268 0.000 0.327 77 H C 0.147 175.344 175.328 -0.219 0.000 1.199 77 H CA 0.705 56.684 56.048 -0.116 0.000 1.149 77 H CB -1.592 28.099 29.762 -0.118 0.000 1.543 77 H HN 0.185 nan 8.280 nan 0.000 0.427 78 F N -0.321 119.654 119.950 0.041 0.000 2.532 78 F HA 0.192 4.880 4.527 0.268 0.000 0.278 78 F C 1.047 176.886 175.800 0.064 0.000 0.975 78 F CA 0.315 58.320 58.000 0.009 0.000 1.292 78 F CB 0.614 39.581 39.000 -0.055 0.000 1.112 78 F HN 0.042 nan 8.300 nan 0.000 0.703 79 L N 0.638 122.022 121.223 0.269 0.000 2.298 79 L HA 0.350 4.851 4.340 0.268 0.000 0.284 79 L C 0.143 177.107 176.870 0.156 0.000 1.013 79 L CA -0.244 54.742 54.840 0.243 0.000 0.824 79 L CB 0.709 42.859 42.059 0.152 0.000 1.221 79 L HN -0.088 nan 8.230 nan 0.000 0.418 80 S N 1.841 117.647 115.700 0.177 0.000 2.601 80 S HA 0.836 5.466 4.470 0.268 0.000 0.271 80 S C 0.295 174.941 174.600 0.076 0.000 1.305 80 S CA 0.613 58.882 58.200 0.115 0.000 1.022 80 S CB 1.139 64.418 63.200 0.131 0.000 0.940 80 S HN 1.071 nan 8.310 nan 0.000 0.525 81 G N 1.525 110.356 108.800 0.052 0.000 2.331 81 G HA2 0.127 4.247 3.960 0.268 0.000 0.402 81 G HA3 0.127 4.247 3.960 0.268 0.000 0.402 81 G C -0.703 174.210 174.900 0.023 0.000 1.275 81 G CA -0.198 44.925 45.100 0.038 0.000 1.003 81 G HN 1.050 nan 8.290 nan 0.000 0.500 82 S N -1.022 114.689 115.700 0.019 0.000 2.565 82 S HA 0.543 5.174 4.470 0.268 0.000 0.290 82 S C 0.858 175.462 174.600 0.008 0.000 1.150 82 S CA 0.076 58.282 58.200 0.011 0.000 1.058 82 S CB 1.364 64.569 63.200 0.010 0.000 1.032 82 S HN 0.842 nan 8.310 nan 0.000 0.510 83 K N 2.267 122.668 120.400 0.002 0.000 3.120 83 K HA 0.055 4.536 4.320 0.268 0.000 0.275 83 K C 0.409 177.008 176.600 -0.001 0.000 0.914 83 K CA 0.560 56.847 56.287 -0.000 0.000 1.125 83 K CB -0.125 32.373 32.500 -0.003 0.000 1.053 83 K HN 0.499 nan 8.250 nan 0.000 0.450 84 Q N -1.397 118.404 119.800 0.002 0.000 2.353 84 Q HA -0.067 4.434 4.340 0.268 0.000 0.226 84 Q C 1.331 177.333 176.000 0.003 0.000 0.741 84 Q CA 0.371 56.173 55.803 -0.001 0.000 0.934 84 Q CB 0.250 28.988 28.738 -0.001 0.000 1.292 84 Q HN 0.576 nan 8.270 nan 0.000 0.481 85 Q N -0.084 119.722 119.800 0.011 0.000 2.398 85 Q HA 0.131 4.631 4.340 0.268 0.000 0.204 85 Q C 0.724 176.744 176.000 0.033 0.000 0.932 85 Q CA 0.376 56.191 55.803 0.020 0.000 0.916 85 Q CB 0.516 29.267 28.738 0.022 0.000 1.024 85 Q HN -0.004 nan 8.270 nan 0.000 0.504 86 L N 3.114 124.352 121.223 0.025 0.000 2.701 86 L HA 0.382 4.883 4.340 0.268 0.000 0.237 86 L C -0.761 176.116 176.870 0.012 0.000 1.204 86 L CA 0.022 54.877 54.840 0.025 0.000 1.109 86 L CB 0.130 42.202 42.059 0.022 0.000 1.409 86 L HN 0.269 nan 8.230 nan 0.000 0.428 87 S N 1.184 116.888 115.700 0.006 0.000 2.726 87 S HA 0.568 5.199 4.470 0.268 0.000 0.308 87 S C 1.196 175.769 174.600 -0.045 0.000 1.115 87 S CA -0.700 57.487 58.200 -0.021 0.000 0.965 87 S CB 1.717 64.896 63.200 -0.034 0.000 1.145 87 S HN 0.493 nan 8.310 nan 0.000 0.532 88 R N 1.248 121.680 120.500 -0.113 0.000 2.133 88 R HA -0.130 4.370 4.340 0.268 0.000 0.245 88 R C 0.977 177.155 176.300 -0.203 0.000 1.137 88 R CA 2.249 58.204 56.100 -0.242 0.000 0.947 88 R CB -1.867 28.181 30.300 -0.420 0.000 0.865 88 R HN 0.641 nan 8.270 nan 0.000 0.437 89 D N 0.245 120.556 120.400 -0.148 0.000 2.103 89 D HA -0.006 4.795 4.640 0.268 0.000 0.199 89 D C 2.000 178.287 176.300 -0.021 0.000 0.978 89 D CA 1.614 55.558 54.000 -0.094 0.000 0.829 89 D CB -0.421 40.332 40.800 -0.079 0.000 0.981 89 D HN 0.195 nan 8.370 nan 0.000 0.464 90 S N 0.478 116.182 115.700 0.006 0.000 2.353 90 S HA -0.133 4.498 4.470 0.268 0.000 0.222 90 S C 1.879 176.574 174.600 0.158 0.000 1.035 90 S CA 0.514 58.752 58.200 0.063 0.000 1.025 90 S CB -0.323 62.919 63.200 0.070 0.000 0.902 90 S HN 0.100 nan 8.310 nan 0.000 0.440 91 L N 1.359 122.668 121.223 0.143 0.000 2.043 91 L HA -0.083 4.417 4.340 0.268 0.000 0.212 91 L C 2.092 179.083 176.870 0.202 0.000 1.075 91 L CA 1.608 56.556 54.840 0.180 0.000 0.752 91 L CB -0.793 41.302 42.059 0.059 0.000 0.891 91 L HN 0.318 nan 8.230 nan 0.000 0.432 92 L N -1.486 119.796 121.223 0.097 0.000 2.049 92 L HA -0.127 4.374 4.340 0.268 0.000 0.203 92 L C 2.479 179.392 176.870 0.071 0.000 1.074 92 L CA 1.225 56.109 54.840 0.073 0.000 0.749 92 L CB -0.676 41.393 42.059 0.017 0.000 0.907 92 L HN 0.394 nan 8.230 nan 0.000 0.439 93 S N 0.183 115.912 115.700 0.049 0.000 2.528 93 S HA -0.108 4.523 4.470 0.268 0.000 0.244 93 S C 1.578 176.194 174.600 0.027 0.000 0.982 93 S CA 0.670 58.890 58.200 0.032 0.000 0.953 93 S CB -0.736 62.480 63.200 0.026 0.000 0.754 93 S HN 0.625 nan 8.310 nan 0.000 0.529 94 G N -0.057 108.784 108.800 0.069 0.000 2.179 94 G HA2 -0.307 3.814 3.960 0.268 0.000 0.257 94 G HA3 -0.307 3.814 3.960 0.268 0.000 0.257 94 G C 0.258 175.035 174.900 -0.205 0.000 1.010 94 G CA 0.143 45.228 45.100 -0.025 0.000 0.736 94 G HN 0.925 nan 8.290 nan 0.000 0.513 95 C N 3.055 122.305 119.300 -0.083 0.000 2.361 95 C HA 0.567 5.188 4.460 0.268 0.000 0.336 95 C C 1.143 176.094 174.990 -0.065 0.000 1.406 95 C CA -0.450 58.509 59.018 -0.098 0.000 1.763 95 C CB -1.852 25.878 27.740 -0.016 0.000 2.761 95 C HN 0.619 nan 8.230 nan 0.000 0.566 96 H N 0.167 119.202 119.070 -0.058 0.000 2.585 96 H HA 0.480 5.196 4.556 0.268 0.000 0.338 96 H C -1.636 173.640 175.328 -0.085 0.000 1.295 96 H CA -1.376 54.632 56.048 -0.067 0.000 1.356 96 H CB -0.344 29.373 29.762 -0.075 0.000 1.736 96 H HN 0.137 nan 8.280 nan 0.000 0.629 97 P HA 0.169 nan 4.420 nan 0.000 0.227 97 P C 0.513 177.830 177.300 0.027 0.000 1.161 97 P CA 1.095 64.220 63.100 0.041 0.000 0.788 97 P CB 0.727 32.456 31.700 0.049 0.000 0.822 98 G N -0.676 108.171 108.800 0.078 0.000 2.340 98 G HA2 0.268 4.389 3.960 0.268 0.000 0.282 98 G HA3 0.268 4.389 3.960 0.268 0.000 0.282 98 G C -2.013 172.858 174.900 -0.048 0.000 1.312 98 G CA -0.928 44.150 45.100 -0.038 0.000 0.942 98 G HN -0.061 nan 8.290 nan 0.000 0.495 99 F N 1.054 121.092 119.950 0.148 0.000 2.529 99 F HA 0.709 5.396 4.527 0.267 0.000 0.320 99 F C 1.041 176.902 175.800 0.101 0.000 1.118 99 F CA -0.295 57.777 58.000 0.121 0.000 0.915 99 F CB 1.871 40.949 39.000 0.130 0.000 1.161 99 F HN 0.816 nan 8.300 nan 0.000 0.445 100 G N 2.608 111.598 108.800 0.317 0.000 2.651 100 G HA2 0.338 4.459 3.960 0.268 0.000 0.260 100 G HA3 0.338 4.459 3.960 0.268 0.000 0.260 100 G C -1.929 173.056 174.900 0.143 0.000 1.216 100 G CA -1.213 44.011 45.100 0.207 0.000 0.913 100 G HN 0.413 nan 8.290 nan 0.000 0.535 101 P HA -0.157 nan 4.420 nan 0.000 0.217 101 P C 2.124 179.414 177.300 -0.018 0.000 1.158 101 P CA 0.798 63.917 63.100 0.032 0.000 0.887 101 P CB 0.097 31.799 31.700 0.003 0.000 0.792 102 L N -0.865 120.279 121.223 -0.131 0.000 2.012 102 L HA -0.113 4.388 4.340 0.268 0.000 0.210 102 L C 2.632 179.444 176.870 -0.097 0.000 1.073 102 L CA 2.482 57.136 54.840 -0.311 0.000 0.748 102 L CB -1.875 39.561 42.059 -1.038 0.000 0.891 102 L HN 0.015 nan 8.230 nan 0.000 0.431 103 G N -1.044 107.761 108.800 0.009 0.000 2.491 103 G HA2 -0.240 3.880 3.960 0.268 0.000 0.218 103 G HA3 -0.240 3.880 3.960 0.268 0.000 0.218 103 G C 1.619 176.456 174.900 -0.105 0.000 1.180 103 G CA 1.179 46.272 45.100 -0.012 0.000 0.774 103 G HN 0.271 nan 8.290 nan 0.000 0.562 104 V N 0.605 120.533 119.914 0.024 0.000 2.469 104 V HA -0.123 4.158 4.120 0.268 0.000 0.251 104 V C 2.728 178.844 176.094 0.036 0.000 1.064 104 V CA 1.954 64.300 62.300 0.076 0.000 1.066 104 V CB -0.271 31.627 31.823 0.126 0.000 0.667 104 V HN 0.288 nan 8.190 nan 0.000 0.461 105 E N -0.498 119.716 120.200 0.023 0.000 2.230 105 E HA -0.060 4.450 4.350 0.268 0.000 0.192 105 E C 1.959 178.571 176.600 0.021 0.000 0.987 105 E CA 0.526 56.939 56.400 0.022 0.000 0.841 105 E CB -0.047 29.665 29.700 0.020 0.000 0.783 105 E HN 0.483 nan 8.360 nan 0.000 0.481 106 L N 1.325 122.568 121.223 0.033 0.000 2.023 106 L HA -0.064 4.437 4.340 0.268 0.000 0.205 106 L C 2.512 179.376 176.870 -0.009 0.000 1.073 106 L CA 1.830 56.690 54.840 0.034 0.000 0.745 106 L CB -0.562 41.555 42.059 0.097 0.000 0.900 106 L HN -0.067 nan 8.230 nan 0.000 0.435 107 R N -0.174 120.307 120.500 -0.032 0.000 2.091 107 R HA -0.240 4.261 4.340 0.268 0.000 0.238 107 R C 2.432 178.743 176.300 0.017 0.000 1.136 107 R CA 1.998 58.097 56.100 -0.002 0.000 0.959 107 R CB -0.357 29.943 30.300 -0.001 0.000 0.856 107 R HN 0.387 nan 8.270 nan 0.000 0.437 108 K N -0.005 120.403 120.400 0.014 0.000 2.044 108 K HA -0.191 4.290 4.320 0.268 0.000 0.210 108 K C 1.669 178.274 176.600 0.007 0.000 1.049 108 K CA 2.070 58.364 56.287 0.012 0.000 0.927 108 K CB -0.074 32.433 32.500 0.012 0.000 0.713 108 K HN 0.296 nan 8.250 nan 0.000 0.443 109 N N 0.778 119.473 118.700 -0.008 0.000 2.171 109 N HA -0.150 4.751 4.740 0.268 0.000 0.184 109 N C 1.740 177.226 175.510 -0.039 0.000 1.021 109 N CA 0.723 53.756 53.050 -0.030 0.000 0.854 109 N CB -0.398 38.052 38.487 -0.063 0.000 0.994 109 N HN 0.086 nan 8.380 nan 0.000 0.426 110 L N 1.521 122.716 121.223 -0.046 0.000 2.013 110 L HA -0.162 4.339 4.340 0.268 0.000 0.212 110 L C 2.149 179.118 176.870 0.165 0.000 1.073 110 L CA 1.741 56.587 54.840 0.009 0.000 0.753 110 L CB -1.032 41.066 42.059 0.066 0.000 0.890 110 L HN 0.162 nan 8.230 nan 0.000 0.432 111 A N -1.068 121.817 122.820 0.107 0.000 1.898 111 A HA -0.069 4.412 4.320 0.268 0.000 0.216 111 A C 2.423 180.134 177.584 0.211 0.000 1.181 111 A CA 1.723 53.831 52.037 0.118 0.000 0.620 111 A CB -1.109 17.898 19.000 0.011 0.000 0.819 111 A HN 0.546 nan 8.150 nan 0.000 0.442 112 A N -0.569 122.327 122.820 0.127 0.000 1.972 112 A HA -0.151 4.330 4.320 0.268 0.000 0.219 112 A C 1.974 179.678 177.584 0.200 0.000 1.169 112 A CA 2.168 54.284 52.037 0.131 0.000 0.635 112 A CB -0.372 18.662 19.000 0.057 0.000 0.810 112 A HN 0.518 nan 8.150 nan 0.000 0.446 113 E N -1.387 118.927 120.200 0.191 0.000 2.086 113 E HA -0.106 4.405 4.350 0.268 0.000 0.190 113 E C 1.580 178.374 176.600 0.324 0.000 0.975 113 E CA 0.952 57.495 56.400 0.239 0.000 0.813 113 E CB -0.421 29.325 29.700 0.077 0.000 0.768 113 E HN 0.682 nan 8.360 nan 0.000 0.457 114 W N 0.575 121.930 121.300 0.092 0.000 2.315 114 W HA -0.247 4.574 4.660 0.268 0.000 0.323 114 W C 2.049 178.437 176.519 -0.218 0.000 1.233 114 W CA 2.330 59.443 57.345 -0.387 0.000 1.267 114 W CB -0.704 28.543 29.460 -0.355 0.000 1.160 114 W HN 0.220 nan 8.180 nan 0.000 0.474 115 W N 1.082 122.508 121.300 0.210 0.000 2.290 115 W HA -0.411 4.415 4.660 0.276 0.000 0.328 115 W C 2.675 179.061 176.519 -0.222 0.000 1.272 115 W CA 3.428 60.817 57.345 0.073 0.000 1.262 115 W CB -1.226 28.298 29.460 0.107 0.000 1.151 115 W HN 0.089 nan 8.180 nan 0.000 0.473 116 T N -2.335 112.164 114.554 -0.090 0.000 2.833 116 T HA -0.214 4.296 4.350 0.268 0.000 0.269 116 T C 2.002 176.428 174.700 -0.456 0.000 1.054 116 T CA 1.986 63.867 62.100 -0.365 0.000 1.135 116 T CB -0.733 68.028 68.868 -0.179 0.000 0.869 116 T HN 0.114 nan 8.240 nan 0.000 0.466 117 S N -0.100 115.428 115.700 -0.287 0.000 2.419 117 S HA -0.029 4.602 4.470 0.268 0.000 0.233 117 S C 1.845 176.277 174.600 -0.280 0.000 1.016 117 S CA 1.274 59.355 58.200 -0.198 0.000 0.974 117 S CB -0.358 62.655 63.200 -0.311 0.000 0.786 117 S HN 0.637 nan 8.310 nan 0.000 0.492 118 V N -0.581 118.925 119.914 -0.681 0.000 3.451 118 V HA 0.383 4.664 4.120 0.268 0.000 0.288 118 V C 0.968 176.638 176.094 -0.706 0.000 1.502 118 V CA 0.632 62.496 62.300 -0.725 0.000 1.026 118 V CB 0.957 32.051 31.823 -1.216 0.000 0.840 118 V HN 0.330 nan 8.190 nan 0.000 0.437 119 V N -0.865 118.560 119.914 -0.816 0.000 3.054 119 V HA 0.174 4.455 4.120 0.268 0.000 0.227 119 V C 2.189 177.956 176.094 -0.545 0.000 1.252 119 V CA 1.163 63.004 62.300 -0.766 0.000 1.279 119 V CB 0.311 31.332 31.823 -1.337 0.000 1.118 119 V HN 0.146 nan 8.190 nan 0.000 0.504 120 V N 0.728 120.241 119.914 -0.667 0.000 2.708 120 V HA -0.262 4.019 4.120 0.268 0.000 0.264 120 V C 1.108 176.957 176.094 -0.409 0.000 1.124 120 V CA 2.136 64.117 62.300 -0.532 0.000 1.138 120 V CB -1.279 30.124 31.823 -0.700 0.000 0.706 120 V HN 0.396 nan 8.190 nan 0.000 0.493 121 F N -1.267 118.656 119.950 -0.046 0.000 2.840 121 F HA 0.502 5.188 4.527 0.264 0.000 0.382 121 F C 0.995 176.795 175.800 0.001 0.000 1.304 121 F CA -1.535 56.465 58.000 -0.001 0.000 1.120 121 F CB 0.042 39.044 39.000 0.003 0.000 1.607 121 F HN -0.112 nan 8.300 nan 0.000 0.482 122 R N 0.947 121.606 120.500 0.265 0.000 2.403 122 R HA -0.202 4.299 4.340 0.268 0.000 0.234 122 R C -0.974 175.400 176.300 0.123 0.000 0.807 122 R CA 0.183 56.384 56.100 0.168 0.000 0.615 122 R CB -1.578 28.814 30.300 0.154 0.000 1.559 122 R HN 0.449 nan 8.270 nan 0.000 0.538 123 E N 2.363 122.646 120.200 0.138 0.000 2.443 123 E HA -0.089 4.422 4.350 0.268 0.000 0.310 123 E C 0.423 177.041 176.600 0.029 0.000 1.202 123 E CA 0.461 56.943 56.400 0.137 0.000 1.301 123 E CB 0.183 30.013 29.700 0.217 0.000 1.104 123 E HN 0.724 nan 8.360 nan 0.000 0.487 124 Q N -0.762 119.006 119.800 -0.054 0.000 2.477 124 Q HA 0.124 4.625 4.340 0.268 0.000 0.252 124 Q C 0.567 176.367 176.000 -0.334 0.000 0.869 124 Q CA 0.056 55.797 55.803 -0.104 0.000 0.969 124 Q CB 0.664 29.528 28.738 0.209 0.000 1.144 124 Q HN 0.061 nan 8.270 nan 0.000 0.577 125 V N 2.634 122.450 119.914 -0.164 0.000 2.508 125 V HA 0.187 4.468 4.120 0.268 0.000 0.281 125 V C -0.422 175.641 176.094 -0.051 0.000 1.041 125 V CA 0.466 62.681 62.300 -0.141 0.000 1.016 125 V CB -0.152 31.558 31.823 -0.189 0.000 0.984 125 V HN 0.105 nan 8.190 nan 0.000 0.478 126 F N 5.470 125.514 119.950 0.155 0.000 2.532 126 F HA 0.504 5.199 4.527 0.279 0.000 0.321 126 F C -2.069 173.829 175.800 0.164 0.000 1.089 126 F CA -2.691 55.401 58.000 0.154 0.000 0.926 126 F CB 2.807 41.915 39.000 0.180 0.000 1.168 126 F HN 0.325 nan 8.300 nan 0.000 0.459 127 P HA 0.085 nan 4.420 nan 0.000 0.271 127 P C -1.029 176.395 177.300 0.207 0.000 1.216 127 P CA -0.010 63.325 63.100 0.391 0.000 0.771 127 P CB 2.393 34.327 31.700 0.389 0.000 0.864 128 V N 2.453 122.443 119.914 0.128 0.000 2.823 128 V HA 0.408 4.688 4.120 0.268 0.000 0.312 128 V C -1.077 174.964 176.094 -0.089 0.000 1.072 128 V CA -0.683 61.571 62.300 -0.076 0.000 0.937 128 V CB 2.199 33.936 31.823 -0.144 0.000 1.013 128 V HN 0.521 nan 8.190 nan 0.000 0.430 129 D N 4.569 124.872 120.400 -0.162 0.000 2.462 129 D HA 0.644 5.444 4.640 0.268 0.000 0.249 129 D C -0.066 176.254 176.300 0.035 0.000 1.117 129 D CA 0.049 54.029 54.000 -0.034 0.000 0.900 129 D CB 1.175 41.985 40.800 0.018 0.000 1.039 129 D HN 0.903 nan 8.370 nan 0.000 0.516 130 A N 3.907 126.737 122.820 0.017 0.000 2.366 130 A HA 0.470 4.950 4.320 0.268 0.000 0.272 130 A C 0.259 177.849 177.584 0.010 0.000 1.135 130 A CA -0.536 51.535 52.037 0.056 0.000 0.804 130 A CB 0.326 19.344 19.000 0.030 0.000 1.064 130 A HN 0.669 nan 8.150 nan 0.000 0.499 131 L N 1.588 122.846 121.223 0.058 0.000 2.473 131 L HA 0.107 4.608 4.340 0.268 0.000 0.268 131 L C 1.099 178.014 176.870 0.075 0.000 1.215 131 L CA -0.249 54.649 54.840 0.097 0.000 0.823 131 L CB 0.230 42.332 42.059 0.070 0.000 1.099 131 L HN 0.898 nan 8.230 nan 0.000 0.483 132 H N -0.995 118.177 119.070 0.169 0.000 2.502 132 H HA -0.002 4.716 4.556 0.269 0.000 0.283 132 H C -0.004 175.476 175.328 0.253 0.000 1.015 132 H CA 0.765 56.956 56.048 0.239 0.000 1.298 132 H CB -0.093 29.843 29.762 0.289 0.000 1.411 132 H HN 0.452 nan 8.280 nan 0.000 0.556 133 H N -1.558 117.621 119.070 0.182 0.000 2.759 133 H HA 0.498 5.215 4.556 0.269 0.000 0.354 133 H C -1.176 174.199 175.328 0.077 0.000 1.074 133 H CA -1.177 54.930 56.048 0.099 0.000 1.226 133 H CB 1.281 31.073 29.762 0.051 0.000 1.648 133 H HN -0.143 nan 8.280 nan 0.000 0.529 134 K N 6.113 126.422 120.400 -0.152 0.000 2.292 134 K HA 0.272 4.753 4.320 0.268 0.000 0.270 134 K C -1.969 174.564 176.600 -0.112 0.000 1.062 134 K CA -1.748 54.433 56.287 -0.176 0.000 0.916 134 K CB 1.374 33.855 32.500 -0.033 0.000 1.166 134 K HN 0.487 nan 8.250 nan 0.000 0.458 135 P HA 0.045 nan 4.420 nan 0.000 0.336 135 P C 0.300 177.601 177.300 0.001 0.000 1.435 135 P CA -0.020 63.083 63.100 0.005 0.000 0.860 135 P CB -0.000 31.722 31.700 0.037 0.000 2.095 136 G N -0.104 108.703 108.800 0.012 0.000 2.707 136 G HA2 -0.167 3.954 3.960 0.268 0.000 0.279 136 G HA3 -0.167 3.954 3.960 0.268 0.000 0.279 136 G C -2.326 172.573 174.900 -0.001 0.000 1.345 136 G CA -0.109 44.994 45.100 0.005 0.000 0.912 136 G HN 0.656 nan 8.290 nan 0.000 0.563 137 P HA 0.427 nan 4.420 nan 0.000 0.271 137 P C -0.631 176.659 177.300 -0.018 0.000 1.216 137 P CA -0.003 63.091 63.100 -0.010 0.000 0.771 137 P CB 1.026 32.722 31.700 -0.006 0.000 0.864 138 L N 3.786 124.993 121.223 -0.026 0.000 2.381 138 L HA 0.297 4.797 4.340 0.268 0.000 0.268 138 L C 0.223 177.070 176.870 -0.039 0.000 0.997 138 L CA -1.254 53.563 54.840 -0.037 0.000 0.818 138 L CB 1.482 43.515 42.059 -0.044 0.000 1.310 138 L HN 0.305 nan 8.230 nan 0.000 0.416 139 L N 7.145 128.342 121.223 -0.043 0.000 2.825 139 L HA 0.088 4.589 4.340 0.268 0.000 0.278 139 L C -1.724 175.122 176.870 -0.041 0.000 1.125 139 L CA -0.256 54.563 54.840 -0.035 0.000 1.023 139 L CB -0.511 41.527 42.059 -0.035 0.000 1.377 139 L HN 0.384 nan 8.230 nan 0.000 0.471 140 P HA 0.262 nan 4.420 nan 0.000 0.266 140 P C 0.380 177.655 177.300 -0.043 0.000 1.193 140 P CA 0.860 63.934 63.100 -0.042 0.000 0.770 140 P CB 0.537 32.215 31.700 -0.036 0.000 0.836 141 G N 0.788 109.557 108.800 -0.051 0.000 2.660 141 G HA2 0.057 4.177 3.960 0.268 0.000 0.247 141 G HA3 0.057 4.177 3.960 0.268 0.000 0.247 141 G C -0.653 174.210 174.900 -0.060 0.000 1.328 141 G CA 0.372 45.441 45.100 -0.052 0.000 0.884 141 G HN 0.928 nan 8.290 nan 0.000 0.531 142 D N -2.582 117.783 120.400 -0.058 0.000 7.203 142 D HA 0.241 5.041 4.640 0.268 0.000 0.324 142 D C 0.204 176.452 176.300 -0.086 0.000 2.597 142 D CA 2.155 56.117 54.000 -0.064 0.000 1.714 142 D CB -1.101 39.661 40.800 -0.063 0.000 1.143 142 D HN 1.996 nan 8.370 nan 0.000 1.213 143 S N 0.081 115.726 115.700 -0.093 0.000 2.594 143 S HA 0.888 5.518 4.470 0.268 0.000 0.322 143 S C -0.232 174.268 174.600 -0.166 0.000 1.085 143 S CA 0.440 58.559 58.200 -0.135 0.000 1.116 143 S CB 1.269 64.406 63.200 -0.104 0.000 0.979 143 S HN 1.135 nan 8.310 nan 0.000 0.465 144 A N 2.652 125.322 122.820 -0.250 0.000 2.765 144 A HA 0.858 5.339 4.320 0.268 0.000 0.305 144 A C -1.907 175.395 177.584 -0.469 0.000 1.229 144 A CA -0.879 51.010 52.037 -0.247 0.000 0.653 144 A CB 0.524 19.461 19.000 -0.104 0.000 1.375 144 A HN 0.682 nan 8.150 nan 0.000 0.540 145 F N 1.279 121.208 119.950 -0.035 0.000 2.460 145 F HA 0.517 5.205 4.527 0.267 0.000 0.341 145 F C 0.506 176.267 175.800 -0.064 0.000 1.130 145 F CA -0.523 57.445 58.000 -0.054 0.000 0.962 145 F CB 1.680 40.634 39.000 -0.077 0.000 1.171 145 F HN 0.279 nan 8.300 nan 0.000 0.436 146 R N 4.492 125.035 120.500 0.071 0.000 2.234 146 R HA 0.354 4.855 4.340 0.268 0.000 0.324 146 R C -0.602 175.713 176.300 0.025 0.000 1.054 146 R CA -0.543 55.571 56.100 0.022 0.000 0.912 146 R CB 0.978 31.260 30.300 -0.030 0.000 1.030 146 R HN 0.701 nan 8.270 nan 0.000 0.455 147 L N 4.342 125.568 121.223 0.006 0.000 2.454 147 L HA 0.164 4.665 4.340 0.268 0.000 0.284 147 L C 0.103 176.957 176.870 -0.027 0.000 1.139 147 L CA -0.392 54.433 54.840 -0.026 0.000 0.911 147 L CB 0.393 42.420 42.059 -0.054 0.000 1.262 147 L HN 0.111 nan 8.230 nan 0.000 0.453 148 V N 2.423 122.323 119.914 -0.023 0.000 2.509 148 V HA 0.199 4.480 4.120 0.268 0.000 0.284 148 V C 0.657 176.751 176.094 0.000 0.000 1.047 148 V CA -0.395 61.891 62.300 -0.025 0.000 0.952 148 V CB 1.678 33.488 31.823 -0.021 0.000 0.988 148 V HN 0.735 nan 8.190 nan 0.000 0.469 149 S N 2.943 118.655 115.700 0.021 0.000 2.592 149 S HA 0.462 5.093 4.470 0.268 0.000 0.271 149 S C 0.967 175.614 174.600 0.078 0.000 1.326 149 S CA 0.109 58.335 58.200 0.044 0.000 1.024 149 S CB 1.529 64.766 63.200 0.062 0.000 0.921 149 S HN 0.984 nan 8.310 nan 0.000 0.527 150 A N 1.218 124.069 122.820 0.052 0.000 2.229 150 A HA 0.270 4.750 4.320 0.268 0.000 0.211 150 A C 1.251 178.859 177.584 0.041 0.000 1.193 150 A CA -0.089 51.978 52.037 0.050 0.000 0.879 150 A CB -0.157 18.857 19.000 0.023 0.000 0.911 150 A HN 0.678 nan 8.150 nan 0.000 0.492 151 E N -0.333 119.890 120.200 0.038 0.000 2.502 151 E HA 0.048 4.559 4.350 0.268 0.000 0.194 151 E C 1.122 177.743 176.600 0.036 0.000 1.062 151 E CA 1.214 57.629 56.400 0.025 0.000 0.867 151 E CB 0.124 29.836 29.700 0.019 0.000 0.888 151 E HN 0.467 nan 8.360 nan 0.000 0.510 152 T N -0.457 114.145 114.554 0.080 0.000 2.978 152 T HA 0.135 4.646 4.350 0.268 0.000 0.248 152 T C 1.254 176.013 174.700 0.098 0.000 1.018 152 T CA -0.180 61.995 62.100 0.126 0.000 1.026 152 T CB 0.174 69.190 68.868 0.247 0.000 1.032 152 T HN 0.002 nan 8.240 nan 0.000 0.485 153 L N 1.164 122.478 121.223 0.152 0.000 2.509 153 L HA 0.343 4.844 4.340 0.268 0.000 0.222 153 L C 2.313 179.160 176.870 -0.038 0.000 1.123 153 L CA 0.775 55.680 54.840 0.109 0.000 0.856 153 L CB -0.192 41.986 42.059 0.198 0.000 0.985 153 L HN -0.055 nan 8.230 nan 0.000 0.456 154 R N 1.144 121.625 120.500 -0.031 0.000 2.052 154 R HA -0.059 4.442 4.340 0.268 0.000 0.224 154 R C 0.628 176.882 176.300 -0.077 0.000 1.149 154 R CA 1.231 57.306 56.100 -0.042 0.000 0.962 154 R CB -0.341 29.947 30.300 -0.020 0.000 0.856 154 R HN 0.545 nan 8.270 nan 0.000 0.433 155 E N 0.781 120.929 120.200 -0.086 0.000 2.778 155 E HA 0.045 4.556 4.350 0.268 0.000 0.318 155 E C 0.780 177.288 176.600 -0.152 0.000 1.309 155 E CA 0.388 56.731 56.400 -0.095 0.000 1.419 155 E CB -0.472 29.185 29.700 -0.072 0.000 1.150 155 E HN 0.450 nan 8.360 nan 0.000 0.492 156 I N -0.961 119.516 120.570 -0.155 0.000 4.305 156 I HA -0.075 4.256 4.170 0.268 0.000 0.284 156 I C 1.030 177.075 176.117 -0.119 0.000 1.098 156 I CA -0.327 60.861 61.300 -0.187 0.000 1.351 156 I CB -0.132 37.663 38.000 -0.342 0.000 1.881 156 I HN 0.206 nan 8.210 nan 0.000 0.435 157 L N 1.368 122.534 121.223 -0.096 0.000 1.947 157 L HA -0.006 4.494 4.340 0.268 0.000 0.211 157 L C 1.293 178.137 176.870 -0.045 0.000 1.098 157 L CA 1.794 56.599 54.840 -0.058 0.000 0.767 157 L CB -1.212 40.823 42.059 -0.040 0.000 0.891 157 L HN 0.318 nan 8.230 nan 0.000 0.436 158 Q N 0.418 120.196 119.800 -0.037 0.000 2.516 158 Q HA -0.076 4.425 4.340 0.268 0.000 0.245 158 Q C 0.232 176.212 176.000 -0.033 0.000 0.958 158 Q CA 0.131 55.916 55.803 -0.029 0.000 0.959 158 Q CB 0.091 28.815 28.738 -0.023 0.000 1.403 158 Q HN 0.414 nan 8.270 nan 0.000 0.405 159 D N 0.052 120.428 120.400 -0.040 0.000 1.979 159 D HA -0.025 4.776 4.640 0.268 0.000 0.399 159 D C -0.468 175.808 176.300 -0.040 0.000 1.016 159 D CA 0.209 54.185 54.000 -0.040 0.000 0.928 159 D CB 0.572 41.341 40.800 -0.052 0.000 1.739 159 D HN 0.132 nan 8.370 nan 0.000 0.537 160 K N 1.756 122.129 120.400 -0.046 0.000 3.096 160 K HA -0.225 4.256 4.320 0.268 0.000 0.266 160 K C -0.311 176.264 176.600 -0.042 0.000 1.043 160 K CA 0.719 56.981 56.287 -0.041 0.000 0.758 160 K CB -1.640 30.843 32.500 -0.029 0.000 1.260 160 K HN 0.108 nan 8.250 nan 0.000 0.481 161 E N 1.879 122.046 120.200 -0.056 0.000 1.943 161 E HA 0.011 4.522 4.350 0.268 0.000 0.254 161 E C 0.913 177.486 176.600 -0.044 0.000 1.239 161 E CA 0.916 57.284 56.400 -0.053 0.000 1.027 161 E CB -0.463 29.194 29.700 -0.073 0.000 1.087 161 E HN 0.391 nan 8.360 nan 0.000 0.437 162 L N 1.459 122.663 121.223 -0.032 0.000 3.530 162 L HA -0.551 3.950 4.340 0.268 0.000 0.357 162 L C 1.657 178.513 176.870 -0.024 0.000 2.051 162 L CA 1.208 56.033 54.840 -0.024 0.000 2.804 162 L CB -2.144 39.902 42.059 -0.022 0.000 1.640 162 L HN 0.619 nan 8.230 nan 0.000 0.757 163 S N -0.950 114.731 115.700 -0.031 0.000 4.110 163 S HA -0.414 4.216 4.470 0.268 0.000 0.573 163 S C 1.030 175.621 174.600 -0.015 0.000 1.936 163 S CA 2.325 60.509 58.200 -0.027 0.000 4.227 163 S CB -0.671 62.512 63.200 -0.028 0.000 0.327 163 S HN 0.569 nan 8.310 nan 0.000 0.532 164 K N 0.679 121.072 120.400 -0.012 0.000 2.158 164 K HA -0.297 4.184 4.320 0.268 0.000 0.151 164 K C 0.178 176.776 176.600 -0.003 0.000 0.850 164 K CA 2.317 58.600 56.287 -0.006 0.000 0.360 164 K CB -0.950 31.546 32.500 -0.006 0.000 0.730 164 K HN 0.747 nan 8.250 nan 0.000 0.797 165 E N 2.001 122.200 120.200 -0.002 0.000 2.026 165 E HA 0.136 4.647 4.350 0.268 0.000 0.253 165 E C 0.261 176.863 176.600 0.003 0.000 1.056 165 E CA -0.009 56.393 56.400 0.002 0.000 0.927 165 E CB 0.900 30.602 29.700 0.002 0.000 1.172 165 E HN 0.283 nan 8.360 nan 0.000 0.445 166 Q N 0.565 120.368 119.800 0.006 0.000 2.172 166 Q HA 0.090 4.591 4.340 0.268 0.000 0.159 166 Q C -0.153 175.860 176.000 0.022 0.000 0.653 166 Q CA -0.378 55.431 55.803 0.009 0.000 0.896 166 Q CB 0.468 29.203 28.738 -0.004 0.000 1.149 166 Q HN 0.318 nan 8.270 nan 0.000 0.333 167 L N 3.093 124.327 121.223 0.018 0.000 2.700 167 L HA -0.027 4.474 4.340 0.268 0.000 0.272 167 L C 0.848 177.752 176.870 0.057 0.000 1.176 167 L CA 1.178 56.044 54.840 0.042 0.000 0.961 167 L CB 0.459 42.534 42.059 0.027 0.000 1.249 167 L HN 0.412 nan 8.230 nan 0.000 0.487 168 V N 2.388 122.353 119.914 0.084 0.000 5.814 168 V HA -0.177 4.104 4.120 0.268 0.000 0.910 168 V C 1.307 177.441 176.094 0.066 0.000 2.614 168 V CA 1.220 63.559 62.300 0.064 0.000 4.470 168 V CB -0.332 31.514 31.823 0.038 0.000 0.700 168 V HN 0.804 nan 8.190 nan 0.000 0.605 169 T N 0.106 114.715 114.554 0.092 0.000 3.044 169 T HA 0.157 4.668 4.350 0.268 0.000 0.255 169 T C 1.099 175.878 174.700 0.132 0.000 1.073 169 T CA 1.457 63.609 62.100 0.086 0.000 1.125 169 T CB 0.030 68.945 68.868 0.079 0.000 0.908 169 T HN 0.508 nan 8.240 nan 0.000 0.480 170 F N 2.403 122.351 119.950 -0.003 0.000 2.037 170 F HA 0.125 4.813 4.527 0.269 0.000 0.291 170 F C 1.869 177.667 175.800 -0.004 0.000 1.137 170 F CA 0.712 58.710 58.000 -0.003 0.000 1.178 170 F CB -0.613 38.385 39.000 -0.003 0.000 0.995 170 F HN -0.087 nan 8.300 nan 0.000 0.472 171 L N 0.688 121.940 121.223 0.047 0.000 2.351 171 L HA -0.229 4.272 4.340 0.268 0.000 0.220 171 L C 2.209 179.028 176.870 -0.085 0.000 1.127 171 L CA 1.930 56.730 54.840 -0.067 0.000 0.786 171 L CB -1.376 40.697 42.059 0.024 0.000 0.914 171 L HN 0.465 nan 8.230 nan 0.000 0.443 172 E N 0.427 120.602 120.200 -0.043 0.000 2.038 172 E HA -0.210 4.301 4.350 0.268 0.000 0.190 172 E C 1.781 178.342 176.600 -0.066 0.000 0.967 172 E CA 0.825 57.202 56.400 -0.039 0.000 0.816 172 E CB -0.016 29.682 29.700 -0.004 0.000 0.784 172 E HN 0.345 nan 8.360 nan 0.000 0.456 173 N N 0.191 118.857 118.700 -0.057 0.000 2.430 173 N HA -0.139 4.762 4.740 0.268 0.000 0.186 173 N C 1.612 177.042 175.510 -0.133 0.000 1.032 173 N CA 0.937 53.949 53.050 -0.063 0.000 0.893 173 N CB 0.035 38.516 38.487 -0.012 0.000 0.957 173 N HN 0.047 nan 8.380 nan 0.000 0.442 174 V N 0.345 120.118 119.914 -0.234 0.000 2.244 174 V HA -0.165 4.116 4.120 0.268 0.000 0.244 174 V C 2.138 178.134 176.094 -0.162 0.000 1.042 174 V CA 1.077 63.206 62.300 -0.286 0.000 1.006 174 V CB -0.523 31.053 31.823 -0.412 0.000 0.641 174 V HN 0.377 nan 8.190 nan 0.000 0.446 175 L N -0.232 120.914 121.223 -0.129 0.000 2.450 175 L HA -0.165 4.336 4.340 0.268 0.000 0.225 175 L C 2.284 179.112 176.870 -0.070 0.000 1.145 175 L CA 1.783 56.568 54.840 -0.090 0.000 0.801 175 L CB -1.301 40.712 42.059 -0.076 0.000 0.924 175 L HN 0.389 nan 8.230 nan 0.000 0.447 176 K N -0.756 119.603 120.400 -0.069 0.000 2.161 176 K HA 0.065 4.546 4.320 0.268 0.000 0.205 176 K C 1.999 178.574 176.600 -0.042 0.000 1.035 176 K CA 0.979 57.238 56.287 -0.047 0.000 0.970 176 K CB -0.252 32.226 32.500 -0.037 0.000 0.866 176 K HN 0.136 nan 8.250 nan 0.000 0.461 177 T N 1.479 116.003 114.554 -0.050 0.000 2.833 177 T HA -0.076 4.434 4.350 0.268 0.000 0.269 177 T C 1.249 175.930 174.700 -0.032 0.000 1.054 177 T CA 0.610 62.688 62.100 -0.036 0.000 1.135 177 T CB -0.157 68.688 68.868 -0.039 0.000 0.869 177 T HN 0.123 nan 8.240 nan 0.000 0.466 178 S N 0.676 116.342 115.700 -0.056 0.000 2.560 178 S HA 0.423 5.054 4.470 0.268 0.000 0.284 178 S C 0.749 175.345 174.600 -0.007 0.000 1.327 178 S CA -0.548 57.627 58.200 -0.042 0.000 1.055 178 S CB 0.305 63.461 63.200 -0.072 0.000 0.868 178 S HN 0.455 nan 8.310 nan 0.000 0.506 179 G N 2.670 111.487 108.800 0.028 0.000 2.547 179 G HA2 0.558 4.679 3.960 0.268 0.000 0.291 179 G HA3 0.558 4.679 3.960 0.268 0.000 0.291 179 G C -0.866 174.072 174.900 0.063 0.000 1.211 179 G CA -0.776 44.373 45.100 0.081 0.000 0.950 179 G HN 0.882 nan 8.290 nan 0.000 0.504 180 K N -0.726 119.726 120.400 0.085 0.000 2.469 180 K HA 0.560 5.041 4.320 0.268 0.000 0.254 180 K C -1.173 175.492 176.600 0.109 0.000 0.939 180 K CA -0.933 55.395 56.287 0.067 0.000 0.812 180 K CB 2.057 34.569 32.500 0.019 0.000 1.301 180 K HN 0.299 nan 8.250 nan 0.000 0.433 181 L N 3.732 125.012 121.223 0.096 0.000 2.290 181 L HA 0.340 4.841 4.340 0.268 0.000 0.284 181 L C 0.314 177.311 176.870 0.212 0.000 1.078 181 L CA -0.865 54.035 54.840 0.100 0.000 0.815 181 L CB 0.900 42.833 42.059 -0.210 0.000 1.162 181 L HN 0.744 nan 8.230 nan 0.000 0.435 182 R N 0.936 121.589 120.500 0.256 0.000 2.566 182 R HA -0.101 4.400 4.340 0.268 0.000 0.273 182 R C 0.471 176.834 176.300 0.104 0.000 0.981 182 R CA 0.105 56.298 56.100 0.156 0.000 1.091 182 R CB 0.312 30.678 30.300 0.110 0.000 0.924 182 R HN 0.603 nan 8.270 nan 0.000 0.411 183 E N 1.603 121.787 120.200 -0.027 0.000 2.276 183 E HA -0.028 4.483 4.350 0.268 0.000 0.193 183 E C -0.630 175.863 176.600 -0.179 0.000 0.983 183 E CA 0.900 57.179 56.400 -0.202 0.000 0.861 183 E CB 0.300 29.922 29.700 -0.129 0.000 0.817 183 E HN 0.883 nan 8.360 nan 0.000 0.485 184 N N -2.293 116.384 118.700 -0.039 0.000 3.039 184 N HA 0.190 5.091 4.740 0.268 0.000 0.257 184 N C -0.349 175.174 175.510 0.022 0.000 1.497 184 N CA -0.651 52.411 53.050 0.021 0.000 0.861 184 N CB 0.340 38.858 38.487 0.053 0.000 1.479 184 N HN -0.077 nan 8.380 nan 0.000 0.547 185 L N -0.157 121.078 121.223 0.021 0.000 2.590 185 L HA 0.306 4.807 4.340 0.268 0.000 0.227 185 L C 1.609 178.504 176.870 0.042 0.000 1.099 185 L CA -0.089 54.759 54.840 0.013 0.000 0.872 185 L CB -0.219 41.827 42.059 -0.021 0.000 1.088 185 L HN 0.519 nan 8.230 nan 0.000 0.479 186 L N 0.255 121.510 121.223 0.052 0.000 1.989 186 L HA -0.279 4.222 4.340 0.268 0.000 0.211 186 L C 2.590 179.518 176.870 0.098 0.000 1.071 186 L CA 2.060 56.935 54.840 0.059 0.000 0.749 186 L CB -0.456 41.637 42.059 0.056 0.000 0.890 186 L HN 0.237 nan 8.230 nan 0.000 0.431 187 H N -0.807 118.271 119.070 0.013 0.000 2.319 187 H HA -0.093 4.624 4.556 0.268 0.000 0.299 187 H C 2.065 177.421 175.328 0.047 0.000 1.092 187 H CA 1.856 57.907 56.048 0.006 0.000 1.302 187 H CB -0.649 29.099 29.762 -0.025 0.000 1.373 187 H HN 0.425 nan 8.280 nan 0.000 0.497 188 G N -0.436 108.423 108.800 0.098 0.000 2.462 188 G HA2 -0.235 3.886 3.960 0.268 0.000 0.220 188 G HA3 -0.235 3.886 3.960 0.268 0.000 0.220 188 G C 1.808 176.825 174.900 0.195 0.000 1.121 188 G CA 0.858 46.020 45.100 0.103 0.000 0.758 188 G HN 0.614 nan 8.290 nan 0.000 0.559 189 A N 0.856 123.770 122.820 0.156 0.000 1.840 189 A HA 0.155 4.635 4.320 0.268 0.000 0.214 189 A C 2.391 180.180 177.584 0.341 0.000 1.198 189 A CA 1.121 53.296 52.037 0.230 0.000 0.608 189 A CB -0.482 18.607 19.000 0.148 0.000 0.839 189 A HN 0.306 nan 8.150 nan 0.000 0.443 190 L N -0.161 121.215 121.223 0.255 0.000 2.081 190 L HA -0.215 4.286 4.340 0.268 0.000 0.212 190 L C 1.917 178.934 176.870 0.244 0.000 1.080 190 L CA 1.482 56.499 54.840 0.295 0.000 0.754 190 L CB -0.842 41.284 42.059 0.112 0.000 0.893 190 L HN 0.474 nan 8.230 nan 0.000 0.433 191 E N -0.922 119.318 120.200 0.068 0.000 2.520 191 E HA -0.117 4.394 4.350 0.268 0.000 0.201 191 E C 1.073 177.675 176.600 0.005 0.000 1.122 191 E CA 0.168 56.580 56.400 0.020 0.000 0.896 191 E CB 0.024 29.641 29.700 -0.138 0.000 0.891 191 E HN 0.553 nan 8.360 nan 0.000 0.533 192 H N -2.240 116.940 119.070 0.182 0.000 3.457 192 H HA -0.010 4.705 4.556 0.267 0.000 0.255 192 H C 1.203 176.629 175.328 0.164 0.000 1.082 192 H CA -0.105 56.040 56.048 0.162 0.000 1.189 192 H CB 0.305 30.176 29.762 0.181 0.000 1.511 192 H HN 0.194 nan 8.280 nan 0.000 0.527 193 Y N 2.663 123.067 120.300 0.174 0.000 1.956 193 Y HA -0.338 4.372 4.550 0.268 0.000 0.258 193 Y C 2.332 178.195 175.900 -0.062 0.000 1.152 193 Y CA 2.195 60.244 58.100 -0.084 0.000 1.093 193 Y CB -0.789 37.437 38.460 -0.390 0.000 0.945 193 Y HN -0.137 nan 8.280 nan 0.000 0.488 194 V N 1.448 121.153 119.914 -0.348 0.000 2.278 194 V HA -0.404 3.876 4.120 0.268 0.000 0.251 194 V C 2.498 178.400 176.094 -0.320 0.000 1.062 194 V CA 2.414 64.433 62.300 -0.469 0.000 1.038 194 V CB -0.915 30.639 31.823 -0.447 0.000 0.646 194 V HN 0.591 nan 8.190 nan 0.000 0.447 195 N N -0.736 117.863 118.700 -0.169 0.000 2.216 195 N HA -0.128 4.773 4.740 0.268 0.000 0.183 195 N C 1.388 176.856 175.510 -0.069 0.000 1.017 195 N CA 1.622 54.612 53.050 -0.100 0.000 0.861 195 N CB -0.121 38.339 38.487 -0.045 0.000 0.986 195 N HN 0.482 nan 8.380 nan 0.000 0.428 196 C N 0.988 120.282 119.300 -0.010 0.000 2.454 196 C HA 0.193 4.813 4.460 0.268 0.000 0.321 196 C C 2.106 176.981 174.990 -0.193 0.000 1.299 196 C CA -0.507 58.534 59.018 0.037 0.000 1.683 196 C CB -1.613 26.302 27.740 0.292 0.000 1.772 196 C HN 0.371 nan 8.230 nan 0.000 0.596 197 L N 0.955 121.989 121.223 -0.316 0.000 2.145 197 L HA 0.185 4.685 4.340 0.268 0.000 0.201 197 L C 1.288 177.979 176.870 -0.299 0.000 1.075 197 L CA 1.766 56.336 54.840 -0.450 0.000 0.773 197 L CB -0.346 41.403 42.059 -0.517 0.000 0.936 197 L HN 0.186 nan 8.230 nan 0.000 0.451 198 D N -0.417 119.861 120.400 -0.204 0.000 2.767 198 D HA 0.062 4.863 4.640 0.268 0.000 0.231 198 D C 0.540 176.776 176.300 -0.105 0.000 1.105 198 D CA 0.346 54.265 54.000 -0.135 0.000 1.024 198 D CB -0.216 40.521 40.800 -0.105 0.000 1.123 198 D HN 0.123 nan 8.370 nan 0.000 0.470 199 L N 1.772 122.925 121.223 -0.117 0.000 3.759 199 L HA 0.171 4.672 4.340 0.268 0.000 0.355 199 L C -0.336 176.541 176.870 0.012 0.000 1.271 199 L CA 0.040 54.858 54.840 -0.037 0.000 1.142 199 L CB 1.021 43.088 42.059 0.014 0.000 1.474 199 L HN 0.134 nan 8.230 nan 0.000 0.624 200 V N -3.491 116.368 119.914 -0.092 0.000 5.404 200 V HA 0.318 4.599 4.120 0.268 0.000 0.891 200 V C -0.121 175.914 176.094 -0.097 0.000 2.510 200 V CA -0.419 61.830 62.300 -0.084 0.000 4.281 200 V CB -0.759 30.956 31.823 -0.179 0.000 0.729 200 V HN 0.237 nan 8.190 nan 0.000 0.663 201 N N 2.400 121.051 118.700 -0.082 0.000 2.696 201 N HA -0.237 4.664 4.740 0.268 0.000 0.271 201 N C 0.622 176.091 175.510 -0.069 0.000 0.997 201 N CA 1.437 54.448 53.050 -0.065 0.000 0.801 201 N CB -0.539 37.928 38.487 -0.034 0.000 0.913 201 N HN 0.900 nan 8.380 nan 0.000 0.557 202 K N -2.023 118.312 120.400 -0.109 0.000 2.971 202 K HA -0.263 4.218 4.320 0.268 0.000 0.265 202 K C 0.018 176.601 176.600 -0.029 0.000 1.052 202 K CA 1.018 57.257 56.287 -0.080 0.000 0.780 202 K CB -1.050 31.430 32.500 -0.033 0.000 1.214 202 K HN 0.555 nan 8.250 nan 0.000 0.478 203 R N 0.796 121.266 120.500 -0.049 0.000 2.202 203 R HA 0.339 4.840 4.340 0.268 0.000 0.334 203 R C 0.111 176.438 176.300 0.046 0.000 1.036 203 R CA -0.438 55.663 56.100 0.001 0.000 0.878 203 R CB 0.507 30.805 30.300 -0.003 0.000 1.067 203 R HN 0.097 nan 8.270 nan 0.000 0.457 204 L N 4.757 126.023 121.223 0.072 0.000 2.360 204 L HA 0.591 5.092 4.340 0.268 0.000 0.271 204 L C -1.876 174.985 176.870 -0.014 0.000 1.057 204 L CA -2.228 52.646 54.840 0.056 0.000 0.803 204 L CB 1.132 43.227 42.059 0.060 0.000 1.207 204 L HN 0.379 nan 8.230 nan 0.000 0.445 205 P HA 0.352 nan 4.420 nan 0.000 0.290 205 P C -1.868 175.099 177.300 -0.555 0.000 1.275 205 P CA -0.396 62.347 63.100 -0.594 0.000 0.841 205 P CB 1.400 32.330 31.700 -1.283 0.000 1.042 206 Y N -1.009 118.919 120.300 -0.620 0.000 2.513 206 Y HA 0.733 5.443 4.550 0.266 0.000 0.340 206 Y C -0.731 175.214 175.900 0.075 0.000 1.055 206 Y CA -0.965 57.002 58.100 -0.221 0.000 1.020 206 Y CB 1.044 39.419 38.460 -0.141 0.000 1.301 206 Y HN 0.594 nan 8.280 nan 0.000 0.453 207 G N 2.786 111.763 108.800 0.296 0.000 2.597 207 G HA2 0.668 4.789 3.960 0.268 0.000 0.317 207 G HA3 0.668 4.789 3.960 0.268 0.000 0.317 207 G C -1.815 173.123 174.900 0.063 0.000 1.230 207 G CA -1.339 43.844 45.100 0.139 0.000 0.996 207 G HN 0.765 nan 8.290 nan 0.000 0.490 208 L N 1.136 122.369 121.223 0.018 0.000 2.388 208 L HA 0.535 5.036 4.340 0.268 0.000 0.267 208 L C 0.435 177.332 176.870 0.045 0.000 0.995 208 L CA -0.770 54.143 54.840 0.122 0.000 0.864 208 L CB 1.331 43.518 42.059 0.212 0.000 1.216 208 L HN 0.645 nan 8.230 nan 0.000 0.430 209 A N 3.518 126.378 122.820 0.068 0.000 2.286 209 A HA 0.757 5.238 4.320 0.268 0.000 0.286 209 A C -0.504 177.237 177.584 0.262 0.000 1.097 209 A CA -0.200 51.900 52.037 0.106 0.000 0.821 209 A CB 1.627 20.574 19.000 -0.088 0.000 1.076 209 A HN 0.731 nan 8.150 nan 0.000 0.490 210 Q N 0.117 120.072 119.800 0.258 0.000 2.503 210 Q HA 0.521 5.022 4.340 0.268 0.000 0.268 210 Q C -2.293 173.695 176.000 -0.020 0.000 0.982 210 Q CA -0.423 55.475 55.803 0.159 0.000 0.907 210 Q CB 1.465 30.231 28.738 0.045 0.000 1.467 210 Q HN 0.702 nan 8.270 nan 0.000 0.394 211 I N 2.972 123.496 120.570 -0.077 0.000 2.468 211 I HA 0.766 5.097 4.170 0.268 0.000 0.284 211 I C -0.044 175.983 176.117 -0.151 0.000 1.038 211 I CA -0.466 60.703 61.300 -0.219 0.000 1.083 211 I CB 1.748 39.598 38.000 -0.251 0.000 1.223 211 I HN 0.763 nan 8.210 nan 0.000 0.443 212 G N 4.787 113.502 108.800 -0.141 0.000 2.606 212 G HA2 0.560 4.680 3.960 0.268 0.000 0.300 212 G HA3 0.560 4.680 3.960 0.268 0.000 0.300 212 G C -1.622 173.214 174.900 -0.108 0.000 1.360 212 G CA -0.448 44.588 45.100 -0.105 0.000 0.783 212 G HN 0.174 nan 8.290 nan 0.000 0.484 213 V N -0.338 119.509 119.914 -0.112 0.000 2.509 213 V HA 0.509 4.790 4.120 0.268 0.000 0.284 213 V C -0.085 175.788 176.094 -0.368 0.000 1.047 213 V CA -0.424 61.745 62.300 -0.218 0.000 0.952 213 V CB 0.819 32.493 31.823 -0.248 0.000 0.988 213 V HN 0.851 nan 8.190 nan 0.000 0.469 214 C N 4.633 123.719 119.300 -0.357 0.000 2.561 214 C HA 0.712 5.333 4.460 0.268 0.000 0.319 214 C C -0.535 174.227 174.990 -0.381 0.000 1.198 214 C CA -0.937 57.899 59.018 -0.303 0.000 1.665 214 C CB 1.079 28.811 27.740 -0.013 0.000 2.258 214 C HN 0.701 nan 8.230 nan 0.000 0.493 215 F N 1.763 121.701 119.950 -0.019 0.000 2.402 215 F HA 0.486 5.174 4.527 0.268 0.000 0.355 215 F C 0.371 176.189 175.800 0.030 0.000 1.123 215 F CA -0.357 57.680 58.000 0.062 0.000 1.021 215 F CB 0.395 39.398 39.000 0.006 0.000 1.160 215 F HN 0.580 nan 8.300 nan 0.000 0.451 216 H N 2.352 121.593 119.070 0.285 0.000 2.569 216 H HA 0.462 5.179 4.556 0.267 0.000 0.357 216 H C -2.588 172.947 175.328 0.345 0.000 1.153 216 H CA -2.578 53.632 56.048 0.270 0.000 1.193 216 H CB 1.296 31.146 29.762 0.146 0.000 1.602 216 H HN 0.312 nan 8.280 nan 0.000 0.523 217 P HA 0.098 nan 4.420 nan 0.000 0.278 217 P C -0.375 177.061 177.300 0.227 0.000 1.238 217 P CA -0.245 63.096 63.100 0.402 0.000 0.794 217 P CB 1.494 33.255 31.700 0.101 0.000 0.955 230 S N 1.330 117.116 115.700 0.143 0.000 2.475 230 S HA 0.482 5.113 4.470 0.268 0.000 0.298 230 S C 0.392 175.086 174.600 0.156 0.000 1.119 230 S CA -0.784 57.483 58.200 0.112 0.000 1.085 230 S CB 0.663 63.896 63.200 0.056 0.000 1.028 230 S HN 0.352 nan 8.310 nan 0.000 0.489 231 I N 1.742 122.318 120.570 0.010 0.000 3.381 231 I HA 0.302 4.633 4.170 0.268 0.000 0.275 231 I C 1.034 177.165 176.117 0.024 0.000 1.252 231 I CA 0.258 61.475 61.300 -0.139 0.000 1.292 231 I CB 0.462 38.210 38.000 -0.420 0.000 1.396 231 I HN 0.728 nan 8.210 nan 0.000 0.637 232 G N 2.752 111.604 108.800 0.087 0.000 2.417 232 G HA2 0.339 4.460 3.960 0.268 0.000 0.282 232 G HA3 0.339 4.460 3.960 0.268 0.000 0.282 232 G C -1.253 173.712 174.900 0.108 0.000 1.388 232 G CA -0.503 44.648 45.100 0.085 0.000 1.276 232 G HN 0.558 nan 8.290 nan 0.000 0.602 233 E N 1.799 121.990 120.200 -0.014 0.000 2.227 233 E HA 0.440 4.951 4.350 0.268 0.000 0.282 233 E C -0.373 176.156 176.600 -0.118 0.000 1.015 233 E CA -0.324 56.018 56.400 -0.096 0.000 0.823 233 E CB 1.719 31.343 29.700 -0.127 0.000 1.081 233 E HN 0.260 nan 8.360 nan 0.000 0.396 234 K N 1.889 122.237 120.400 -0.088 0.000 2.468 234 K HA 0.318 4.799 4.320 0.268 0.000 0.252 234 K C -1.015 175.562 176.600 -0.039 0.000 0.932 234 K CA -0.736 55.530 56.287 -0.036 0.000 0.794 234 K CB 2.319 34.791 32.500 -0.046 0.000 1.241 234 K HN 0.331 nan 8.250 nan 0.000 0.428 235 T N 2.725 117.285 114.554 0.009 0.000 2.727 235 T HA 0.185 4.696 4.350 0.268 0.000 0.298 235 T C -0.364 174.323 174.700 -0.020 0.000 0.942 235 T CA -0.291 61.803 62.100 -0.010 0.000 0.997 235 T CB 0.365 69.256 68.868 0.038 0.000 0.917 235 T HN 0.351 nan 8.240 nan 0.000 0.487 236 E N 1.658 121.823 120.200 -0.059 0.000 2.191 236 E HA 0.638 5.149 4.350 0.268 0.000 0.274 236 E C -0.636 175.844 176.600 -0.200 0.000 0.948 236 E CA -0.912 55.441 56.400 -0.079 0.000 0.802 236 E CB 1.701 31.390 29.700 -0.019 0.000 1.137 236 E HN 0.627 nan 8.360 nan 0.000 0.397 237 A N 2.009 124.630 122.820 -0.333 0.000 2.303 237 A HA 0.569 5.049 4.320 0.268 0.000 0.320 237 A C -0.520 176.786 177.584 -0.464 0.000 1.192 237 A CA -0.545 51.067 52.037 -0.709 0.000 0.821 237 A CB 0.988 19.113 19.000 -1.460 0.000 1.188 237 A HN 0.485 nan 8.150 nan 0.000 0.492 238 S N 2.272 117.784 115.700 -0.313 0.000 2.549 238 S HA 0.719 5.349 4.470 0.268 0.000 0.280 238 S C -1.279 173.339 174.600 0.030 0.000 1.109 238 S CA -0.607 57.550 58.200 -0.071 0.000 0.905 238 S CB 1.502 64.669 63.200 -0.054 0.000 1.081 238 S HN 1.576 nan 8.310 nan 0.000 0.477 239 L N 3.276 124.473 121.223 -0.043 0.000 2.356 239 L HA 0.780 5.280 4.340 0.268 0.000 0.277 239 L C -1.511 175.177 176.870 -0.304 0.000 0.996 239 L CA -0.530 54.173 54.840 -0.228 0.000 0.822 239 L CB 1.807 43.531 42.059 -0.558 0.000 1.256 239 L HN 0.616 nan 8.230 nan 0.000 0.413 240 V N 5.680 125.417 119.914 -0.296 0.000 2.284 240 V HA 0.226 4.507 4.120 0.268 0.000 0.274 240 V C -0.728 175.040 176.094 -0.544 0.000 1.023 240 V CA -0.389 61.666 62.300 -0.408 0.000 0.808 240 V CB 1.089 32.678 31.823 -0.390 0.000 1.035 240 V HN 0.826 nan 8.190 nan 0.000 0.445 241 W N 6.095 126.953 121.300 -0.737 0.000 2.357 241 W HA 0.499 5.332 4.660 0.289 0.000 0.317 241 W C -1.052 175.091 176.519 -0.626 0.000 1.101 241 W CA -0.793 56.162 57.345 -0.650 0.000 1.380 241 W CB 0.856 30.006 29.460 -0.517 0.000 1.266 241 W HN 0.404 nan 8.180 nan 0.000 0.419 242 F N 3.734 123.426 119.950 -0.430 0.000 2.396 242 F HA 0.376 5.055 4.527 0.254 0.000 0.343 242 F C 0.961 176.418 175.800 -0.572 0.000 1.104 242 F CA -0.031 57.710 58.000 -0.431 0.000 1.161 242 F CB 1.436 40.196 39.000 -0.400 0.000 1.146 242 F HN 0.107 nan 8.300 nan 0.000 0.522 243 T N 0.811 115.259 114.554 -0.177 0.000 2.792 243 T HA 0.576 5.087 4.350 0.268 0.000 0.303 243 T C -3.270 171.441 174.700 0.018 0.000 1.310 243 T CA -2.262 59.726 62.100 -0.186 0.000 1.007 243 T CB 2.289 71.043 68.868 -0.191 0.000 1.335 243 T HN 0.233 nan 8.240 nan 0.000 0.504 244 P HA 0.341 nan 4.420 nan 0.000 0.278 244 P C -2.274 175.098 177.300 0.120 0.000 1.238 244 P CA -1.509 61.651 63.100 0.100 0.000 0.794 244 P CB 0.797 32.560 31.700 0.105 0.000 0.955 245 P HA -0.149 nan 4.420 nan 0.000 0.216 245 P C 1.793 179.153 177.300 0.100 0.000 1.153 245 P CA 1.509 64.670 63.100 0.101 0.000 0.858 245 P CB -0.151 31.599 31.700 0.084 0.000 0.789 246 R N -0.069 120.483 120.500 0.087 0.000 2.136 246 R HA -0.179 4.322 4.340 0.268 0.000 0.242 246 R C 1.289 177.633 176.300 0.072 0.000 1.131 246 R CA 2.945 59.087 56.100 0.069 0.000 0.937 246 R CB -1.150 29.186 30.300 0.061 0.000 0.863 246 R HN 0.211 nan 8.270 nan 0.000 0.435 247 T N -1.335 113.282 114.554 0.106 0.000 3.086 247 T HA 0.098 4.608 4.350 0.268 0.000 0.250 247 T C 1.544 176.363 174.700 0.198 0.000 1.074 247 T CA 0.381 62.535 62.100 0.090 0.000 0.988 247 T CB 0.390 69.282 68.868 0.041 0.000 0.988 247 T HN 0.220 nan 8.240 nan 0.000 0.530 248 S N 3.331 119.166 115.700 0.225 0.000 2.393 248 S HA -0.307 4.324 4.470 0.268 0.000 0.234 248 S C 2.283 177.038 174.600 0.258 0.000 1.064 248 S CA 2.176 60.532 58.200 0.260 0.000 1.088 248 S CB -0.554 62.754 63.200 0.180 0.000 0.939 248 S HN 0.823 nan 8.310 nan 0.000 0.448 249 N N 0.548 119.349 118.700 0.169 0.000 2.106 249 N HA -0.184 4.717 4.740 0.268 0.000 0.188 249 N C 1.907 177.495 175.510 0.130 0.000 1.029 249 N CA 1.584 54.719 53.050 0.142 0.000 0.848 249 N CB -1.028 37.513 38.487 0.090 0.000 1.007 249 N HN 0.462 nan 8.380 nan 0.000 0.423 250 Q N 0.638 120.471 119.800 0.054 0.000 1.985 250 Q HA -0.134 4.367 4.340 0.268 0.000 0.207 250 Q C 1.913 177.920 176.000 0.013 0.000 0.996 250 Q CA 2.286 58.049 55.803 -0.066 0.000 0.851 250 Q CB -0.625 27.953 28.738 -0.266 0.000 0.921 250 Q HN 0.545 nan 8.270 nan 0.000 0.418 251 W N 0.110 121.539 121.300 0.214 0.000 2.315 251 W HA -0.260 4.428 4.660 0.047 0.000 0.323 251 W C 2.138 178.884 176.519 0.379 0.000 1.233 251 W CA 0.826 58.384 57.345 0.355 0.000 1.267 251 W CB -0.652 29.145 29.460 0.562 0.000 1.160 251 W HN 0.266 nan 8.180 nan 0.000 0.474 252 L N 1.053 122.635 121.223 0.598 0.000 2.064 252 L HA -0.286 4.215 4.340 0.268 0.000 0.216 252 L C 1.583 178.641 176.870 0.313 0.000 1.077 252 L CA 2.317 57.418 54.840 0.435 0.000 0.766 252 L CB -1.274 40.959 42.059 0.289 0.000 0.890 252 L HN 0.114 nan 8.230 nan 0.000 0.435 253 D N -0.806 119.736 120.400 0.237 0.000 2.117 253 D HA -0.239 4.562 4.640 0.268 0.000 0.197 253 D C 2.015 178.414 176.300 0.165 0.000 0.987 253 D CA 1.195 55.290 54.000 0.158 0.000 0.829 253 D CB -0.427 40.438 40.800 0.108 0.000 0.961 253 D HN 0.361 nan 8.370 nan 0.000 0.460 254 F N 0.574 120.528 119.950 0.006 0.000 2.102 254 F HA -0.143 4.538 4.527 0.258 0.000 0.298 254 F C 2.023 177.745 175.800 -0.130 0.000 1.105 254 F CA 1.148 59.078 58.000 -0.117 0.000 1.239 254 F CB -0.720 38.136 39.000 -0.240 0.000 0.991 254 F HN -0.036 nan 8.300 nan 0.000 0.474 255 W N 0.167 121.439 121.300 -0.047 0.000 2.333 255 W HA -0.224 4.579 4.660 0.238 0.000 0.316 255 W C 2.416 178.864 176.519 -0.119 0.000 1.215 255 W CA 1.180 58.392 57.345 -0.221 0.000 1.278 255 W CB -1.043 28.333 29.460 -0.140 0.000 1.154 255 W HN 0.126 nan 8.180 nan 0.000 0.486 256 L N 2.094 123.426 121.223 0.180 0.000 1.997 256 L HA -0.284 4.217 4.340 0.268 0.000 0.216 256 L C 2.497 179.422 176.870 0.091 0.000 1.074 256 L CA 2.603 57.518 54.840 0.126 0.000 0.763 256 L CB -1.061 41.050 42.059 0.087 0.000 0.890 256 L HN 0.121 nan 8.230 nan 0.000 0.434 257 R N -1.714 118.802 120.500 0.027 0.000 2.073 257 R HA -0.205 4.296 4.340 0.268 0.000 0.234 257 R C 2.429 178.700 176.300 -0.048 0.000 1.134 257 R CA 1.402 57.503 56.100 0.001 0.000 0.952 257 R CB -1.483 28.822 30.300 0.008 0.000 0.850 257 R HN 0.587 nan 8.270 nan 0.000 0.433 258 H N 1.678 120.540 119.070 -0.346 0.000 2.274 258 H HA -0.068 4.651 4.556 0.271 0.000 0.296 258 H C 1.971 177.260 175.328 -0.066 0.000 1.061 258 H CA 2.015 57.825 56.048 -0.396 0.000 1.226 258 H CB -0.037 29.227 29.762 -0.830 0.000 1.370 258 H HN 0.060 nan 8.280 nan 0.000 0.507 259 R N 0.376 121.100 120.500 0.372 0.000 2.136 259 R HA -0.181 4.320 4.340 0.268 0.000 0.242 259 R C 2.668 179.258 176.300 0.484 0.000 1.131 259 R CA 1.386 57.739 56.100 0.423 0.000 0.937 259 R CB -1.430 29.103 30.300 0.389 0.000 0.863 259 R HN 0.356 nan 8.270 nan 0.000 0.435 260 L N 1.802 123.245 121.223 0.367 0.000 2.081 260 L HA -0.224 4.277 4.340 0.268 0.000 0.212 260 L C 2.592 179.610 176.870 0.247 0.000 1.080 260 L CA 1.888 56.932 54.840 0.340 0.000 0.754 260 L CB -0.719 41.453 42.059 0.189 0.000 0.893 260 L HN 0.314 nan 8.230 nan 0.000 0.433 261 Q N -1.981 117.894 119.800 0.125 0.000 2.079 261 Q HA -0.274 4.227 4.340 0.268 0.000 0.200 261 Q C 2.174 178.166 176.000 -0.014 0.000 0.974 261 Q CA 1.963 57.774 55.803 0.012 0.000 0.840 261 Q CB -0.517 28.177 28.738 -0.073 0.000 0.898 261 Q HN 0.632 nan 8.270 nan 0.000 0.430 262 W N 0.333 121.553 121.300 -0.134 0.000 2.315 262 W HA -0.238 4.584 4.660 0.271 0.000 0.323 262 W C 1.386 177.861 176.519 -0.074 0.000 1.233 262 W CA 2.117 59.366 57.345 -0.161 0.000 1.267 262 W CB -0.850 28.514 29.460 -0.160 0.000 1.160 262 W HN 0.253 nan 8.180 nan 0.000 0.474 263 W N 0.240 121.510 121.300 -0.050 0.000 2.335 263 W HA -0.180 4.638 4.660 0.264 0.000 0.311 263 W C 2.660 178.766 176.519 -0.688 0.000 1.213 263 W CA 2.192 59.263 57.345 -0.457 0.000 1.274 263 W CB -1.126 27.983 29.460 -0.586 0.000 1.148 263 W HN -0.213 nan 8.180 nan 0.000 0.498 264 R N 0.538 120.895 120.500 -0.237 0.000 2.103 264 R HA -0.207 4.293 4.340 0.268 0.000 0.242 264 R C 2.109 178.271 176.300 -0.231 0.000 1.142 264 R CA 1.784 57.772 56.100 -0.186 0.000 0.960 264 R CB -0.660 29.612 30.300 -0.046 0.000 0.858 264 R HN 0.202 nan 8.270 nan 0.000 0.439 265 K N 0.558 120.716 120.400 -0.403 0.000 2.059 265 K HA -0.176 4.305 4.320 0.268 0.000 0.212 265 K C 0.773 176.916 176.600 -0.761 0.000 1.050 265 K CA 1.598 57.495 56.287 -0.650 0.000 0.927 265 K CB -0.062 31.825 32.500 -1.021 0.000 0.714 265 K HN 0.106 nan 8.250 nan 0.000 0.447 266 F N 0.441 120.113 119.950 -0.463 0.000 2.660 266 F HA 0.320 5.007 4.527 0.266 0.000 0.297 266 F C 0.424 176.127 175.800 -0.162 0.000 1.132 266 F CA -0.423 57.261 58.000 -0.526 0.000 1.372 266 F CB 0.386 38.805 39.000 -0.967 0.000 1.003 266 F HN -0.028 nan 8.300 nan 0.000 0.524 267 A N 0.007 122.891 122.820 0.107 0.000 2.325 267 A HA 0.588 5.069 4.320 0.268 0.000 0.333 267 A C 1.042 178.741 177.584 0.191 0.000 1.155 267 A CA -0.497 51.697 52.037 0.263 0.000 0.814 267 A CB 1.173 20.337 19.000 0.273 0.000 1.206 267 A HN 0.132 nan 8.150 nan 0.000 0.482 268 M N 0.616 120.345 119.600 0.215 0.000 2.115 268 M HA 0.019 4.660 4.480 0.268 0.000 0.261 268 M C 0.624 177.005 176.300 0.135 0.000 1.079 268 M CA 1.403 56.789 55.300 0.143 0.000 1.143 268 M CB -0.607 32.074 32.600 0.136 0.000 1.332 268 M HN 0.613 nan 8.290 nan 0.000 0.421 269 S N 1.601 117.410 115.700 0.182 0.000 2.891 269 S HA 0.200 4.831 4.470 0.268 0.000 0.186 269 S C -1.674 173.053 174.600 0.213 0.000 1.401 269 S CA -1.166 57.125 58.200 0.152 0.000 1.035 269 S CB 0.311 63.581 63.200 0.117 0.000 1.293 269 S HN 0.197 nan 8.310 nan 0.000 0.493 270 P HA -0.110 nan 4.420 nan 0.000 0.220 270 P C 0.804 178.224 177.300 0.199 0.000 1.144 270 P CA 0.943 64.184 63.100 0.234 0.000 0.800 270 P CB -0.100 31.668 31.700 0.113 0.000 0.772 271 S N -0.395 115.370 115.700 0.108 0.000 2.641 271 S HA -0.024 4.607 4.470 0.268 0.000 0.239 271 S C 1.366 175.960 174.600 -0.010 0.000 0.972 271 S CA 0.548 58.774 58.200 0.043 0.000 0.954 271 S CB -0.734 62.474 63.200 0.014 0.000 0.767 271 S HN 0.248 nan 8.310 nan 0.000 0.539 272 N N 0.088 118.793 118.700 0.007 0.000 2.294 272 N HA 0.239 5.140 4.740 0.268 0.000 0.186 272 N C -0.518 174.806 175.510 -0.310 0.000 1.107 272 N CA 0.102 53.008 53.050 -0.239 0.000 0.884 272 N CB 0.174 38.434 38.487 -0.379 0.000 1.030 272 N HN 0.288 nan 8.380 nan 0.000 0.482 273 F N 1.778 121.713 119.950 -0.024 0.000 2.390 273 F HA 0.293 4.981 4.527 0.267 0.000 0.361 273 F C 0.620 176.404 175.800 -0.028 0.000 1.124 273 F CA -0.568 57.425 58.000 -0.012 0.000 1.149 273 F CB 0.662 39.693 39.000 0.051 0.000 1.160 273 F HN -0.193 nan 8.300 nan 0.000 0.501 274 S N 1.138 116.871 115.700 0.055 0.000 2.600 274 S HA 0.838 5.469 4.470 0.268 0.000 0.300 274 S C -0.298 174.355 174.600 0.088 0.000 1.087 274 S CA -0.881 57.358 58.200 0.066 0.000 0.965 274 S CB 1.754 64.963 63.200 0.016 0.000 1.089 274 S HN 0.506 nan 8.310 nan 0.000 0.496 275 S N 0.287 116.034 115.700 0.078 0.000 2.776 275 S HA 0.958 5.589 4.470 0.268 0.000 0.306 275 S C -0.347 174.300 174.600 0.079 0.000 1.114 275 S CA -0.182 58.054 58.200 0.060 0.000 0.973 275 S CB 0.890 64.118 63.200 0.046 0.000 1.250 275 S HN 2.175 nan 8.310 nan 0.000 0.549 276 S N -0.585 115.142 115.700 0.044 0.000 2.756 276 S HA 0.339 4.970 4.470 0.268 0.000 0.295 276 S C -2.325 172.276 174.600 0.002 0.000 0.945 276 S CA -0.962 57.267 58.200 0.049 0.000 0.838 276 S CB -0.061 63.212 63.200 0.123 0.000 1.042 276 S HN 0.648 nan 8.310 nan 0.000 0.467 277 D N 0.813 121.214 120.400 0.001 0.000 2.432 277 D HA 0.910 5.711 4.640 0.268 0.000 0.258 277 D C 0.507 176.800 176.300 -0.012 0.000 1.146 277 D CA 0.309 54.293 54.000 -0.026 0.000 1.015 277 D CB 1.188 41.987 40.800 -0.002 0.000 1.107 277 D HN 1.528 nan 8.370 nan 0.000 0.529 278 C N -1.724 117.566 119.300 -0.018 0.000 2.873 278 C HA 0.556 5.177 4.460 0.268 0.000 0.316 278 C C -1.584 173.482 174.990 0.126 0.000 1.294 278 C CA -0.933 58.116 59.018 0.051 0.000 1.222 278 C CB 0.180 27.963 27.740 0.072 0.000 1.309 278 C HN 0.872 nan 8.230 nan 0.000 0.460 279 Q N 0.265 120.214 119.800 0.248 0.000 2.885 279 Q HA 0.693 5.194 4.340 0.268 0.000 0.353 279 Q C -1.382 174.798 176.000 0.300 0.000 0.784 279 Q CA -0.040 55.989 55.803 0.377 0.000 0.840 279 Q CB 0.599 29.470 28.738 0.222 0.000 1.306 279 Q HN 1.339 nan 8.270 nan 0.000 0.510 280 D N 0.154 120.655 120.400 0.167 0.000 4.520 280 D HA -0.144 4.657 4.640 0.268 0.000 0.245 280 D C -0.895 175.341 176.300 -0.106 0.000 1.068 280 D CA 1.474 55.489 54.000 0.026 0.000 1.211 280 D CB -0.182 40.641 40.800 0.039 0.000 0.818 280 D HN 0.662 nan 8.370 nan 0.000 0.392 281 E N 1.265 121.323 120.200 -0.236 0.000 2.587 281 E HA 0.177 4.688 4.350 0.268 0.000 0.115 281 E C -0.059 176.344 176.600 -0.329 0.000 1.219 281 E CA -0.453 55.725 56.400 -0.370 0.000 0.816 281 E CB 0.245 29.478 29.700 -0.778 0.000 2.119 281 E HN 0.198 nan 8.360 nan 0.000 0.503 282 E N 0.036 120.010 120.200 -0.378 0.000 2.416 282 E HA 0.235 4.746 4.350 0.268 0.000 0.189 282 E C 0.170 176.573 176.600 -0.328 0.000 1.091 282 E CA 0.179 56.346 56.400 -0.387 0.000 0.889 282 E CB 0.917 30.492 29.700 -0.208 0.000 1.015 282 E HN 0.392 nan 8.360 nan 0.000 0.479 283 G N 0.804 109.455 108.800 -0.247 0.000 2.428 283 G HA2 0.425 4.546 3.960 0.268 0.000 0.304 283 G HA3 0.425 4.546 3.960 0.268 0.000 0.304 283 G C -1.677 173.186 174.900 -0.062 0.000 1.303 283 G CA -1.008 44.034 45.100 -0.096 0.000 0.825 283 G HN 0.026 nan 8.290 nan 0.000 0.484 284 R N 0.049 120.593 120.500 0.074 0.000 2.686 284 R HA 0.654 5.155 4.340 0.268 0.000 0.283 284 R C -1.041 175.445 176.300 0.310 0.000 0.978 284 R CA -0.577 55.616 56.100 0.154 0.000 0.897 284 R CB 1.097 31.455 30.300 0.097 0.000 1.192 284 R HN 0.743 nan 8.270 nan 0.000 0.457 285 K N 0.930 121.613 120.400 0.470 0.000 5.875 285 K HA -0.036 4.444 4.320 0.268 0.000 0.758 285 K C -1.106 175.646 176.600 0.254 0.000 2.396 285 K CA 0.726 57.216 56.287 0.339 0.000 1.789 285 K CB -0.616 31.994 32.500 0.184 0.000 2.723 285 K HN 0.968 nan 8.250 nan 0.000 0.169 286 G N 2.240 110.861 108.800 -0.299 0.000 2.596 286 G HA2 0.279 4.400 3.960 0.268 0.000 0.296 286 G HA3 0.279 4.400 3.960 0.268 0.000 0.296 286 G C -1.358 173.105 174.900 -0.730 0.000 1.513 286 G CA -0.913 43.732 45.100 -0.758 0.000 0.851 286 G HN 0.378 nan 8.290 nan 0.000 0.548 287 N N 0.052 118.472 118.700 -0.465 0.000 2.434 287 N HA 0.488 5.389 4.740 0.268 0.000 0.266 287 N C -0.589 174.707 175.510 -0.355 0.000 1.223 287 N CA -0.027 52.844 53.050 -0.299 0.000 0.972 287 N CB 1.547 39.952 38.487 -0.137 0.000 1.207 287 N HN 0.363 nan 8.380 nan 0.000 0.525 288 K N 1.076 121.328 120.400 -0.246 0.000 2.468 288 K HA 0.468 4.949 4.320 0.268 0.000 0.252 288 K C -1.105 175.270 176.600 -0.374 0.000 0.932 288 K CA -0.487 55.603 56.287 -0.329 0.000 0.794 288 K CB 1.938 34.235 32.500 -0.338 0.000 1.241 288 K HN 0.307 nan 8.250 nan 0.000 0.428 289 L N 3.203 124.165 121.223 -0.435 0.000 2.325 289 L HA 0.564 5.065 4.340 0.268 0.000 0.278 289 L C -0.941 175.573 176.870 -0.593 0.000 1.023 289 L CA -0.878 53.746 54.840 -0.361 0.000 0.811 289 L CB 0.635 42.562 42.059 -0.221 0.000 1.249 289 L HN 0.524 nan 8.230 nan 0.000 0.431 290 Y N 0.741 120.931 120.300 -0.183 0.000 2.634 290 Y HA 0.503 5.215 4.550 0.270 0.000 0.340 290 Y C -0.956 174.711 175.900 -0.389 0.000 1.058 290 Y CA -0.776 57.190 58.100 -0.224 0.000 1.081 290 Y CB 1.879 40.232 38.460 -0.179 0.000 1.295 290 Y HN 0.334 nan 8.280 nan 0.000 0.487 291 Y N 1.193 121.258 120.300 -0.391 0.000 2.391 291 Y HA 0.426 5.136 4.550 0.267 0.000 0.341 291 Y C -0.641 174.861 175.900 -0.664 0.000 0.965 291 Y CA -1.613 55.950 58.100 -0.895 0.000 1.067 291 Y CB 1.249 38.943 38.460 -1.276 0.000 1.199 291 Y HN 0.576 nan 8.280 nan 0.000 0.450 292 N N 6.685 124.441 118.700 -1.574 0.000 2.671 292 N HA 0.067 4.967 4.740 0.268 0.000 0.274 292 N C -0.716 173.940 175.510 -1.424 0.000 1.188 292 N CA 0.423 52.787 53.050 -1.143 0.000 1.065 292 N CB -0.422 37.613 38.487 -0.753 0.000 1.415 292 N HN 0.478 nan 8.380 nan 0.000 0.511 293 F N 1.723 120.983 119.950 -1.149 0.000 2.456 293 F HA 0.154 4.842 4.527 0.267 0.000 0.306 293 F C -0.595 174.693 175.800 -0.853 0.000 1.278 293 F CA -1.392 55.951 58.000 -1.095 0.000 1.264 293 F CB -0.121 37.883 39.000 -1.659 0.000 1.253 293 F HN 0.309 nan 8.300 nan 0.000 0.554 294 P HA -0.146 nan 4.420 nan 0.000 0.218 294 P C 0.368 177.643 177.300 -0.042 0.000 1.149 294 P CA 1.504 64.528 63.100 -0.126 0.000 0.817 294 P CB -0.106 31.677 31.700 0.139 0.000 0.785 295 W N -1.017 120.263 121.300 -0.034 0.000 3.325 295 W HA 0.627 5.448 4.660 0.268 0.000 0.370 295 W C 0.089 176.571 176.519 -0.062 0.000 1.169 295 W CA -0.021 57.297 57.345 -0.046 0.000 1.874 295 W CB -0.501 28.925 29.460 -0.057 0.000 1.076 295 W HN 0.000 nan 8.180 nan 0.000 0.684 296 G N 1.412 110.041 108.800 -0.285 0.000 2.674 296 G HA2 -0.160 3.960 3.960 0.268 0.000 0.686 296 G HA3 -0.160 3.960 3.960 0.268 0.000 0.686 296 G C -0.361 174.351 174.900 -0.314 0.000 1.195 296 G CA -1.231 43.730 45.100 -0.232 0.000 0.776 296 G HN 0.257 nan 8.290 nan 0.000 0.654 297 K N 0.389 120.618 120.400 -0.285 0.000 2.611 297 K HA 0.215 4.696 4.320 0.268 0.000 0.280 297 K C 0.250 176.794 176.600 -0.093 0.000 0.964 297 K CA 1.051 57.181 56.287 -0.262 0.000 1.029 297 K CB 0.366 32.643 32.500 -0.372 0.000 0.862 297 K HN 0.658 nan 8.250 nan 0.000 0.501 298 E N 1.801 122.063 120.200 0.103 0.000 2.331 298 E HA 0.201 4.712 4.350 0.268 0.000 0.275 298 E C -1.629 175.209 176.600 0.397 0.000 0.895 298 E CA -0.760 55.792 56.400 0.253 0.000 0.753 298 E CB 1.032 30.869 29.700 0.229 0.000 1.216 298 E HN 0.306 nan 8.360 nan 0.000 0.434 299 L N 6.560 127.989 121.223 0.342 0.000 2.418 299 L HA 0.245 4.746 4.340 0.268 0.000 0.274 299 L C 0.539 177.397 176.870 -0.020 0.000 1.135 299 L CA 0.689 55.541 54.840 0.020 0.000 0.870 299 L CB 0.040 42.110 42.059 0.018 0.000 1.154 299 L HN 0.905 nan 8.230 nan 0.000 0.462 300 I N 1.151 121.629 120.570 -0.153 0.000 4.312 300 I HA 0.406 4.737 4.170 0.268 0.000 0.324 300 I C 0.232 176.334 176.117 -0.025 0.000 1.298 300 I CA -0.219 61.020 61.300 -0.102 0.000 1.231 300 I CB 0.772 38.557 38.000 -0.359 0.000 1.152 300 I HN 0.674 nan 8.210 nan 0.000 0.421 301 E N 1.441 121.583 120.200 -0.097 0.000 2.416 301 E HA 0.481 4.992 4.350 0.268 0.000 0.280 301 E C -1.396 175.168 176.600 -0.061 0.000 1.055 301 E CA -0.498 55.928 56.400 0.042 0.000 0.825 301 E CB 2.120 31.971 29.700 0.252 0.000 1.312 301 E HN 0.219 nan 8.360 nan 0.000 0.452 302 T N 0.700 115.251 114.554 -0.005 0.000 3.237 302 T HA 0.550 5.061 4.350 0.268 0.000 0.319 302 T C -1.200 173.448 174.700 -0.086 0.000 1.037 302 T CA -0.776 61.269 62.100 -0.091 0.000 1.048 302 T CB 0.544 69.400 68.868 -0.020 0.000 1.081 302 T HN 0.252 nan 8.240 nan 0.000 0.455 303 L N 2.769 123.867 121.223 -0.208 0.000 2.322 303 L HA 0.808 5.308 4.340 0.268 0.000 0.279 303 L C -0.561 176.120 176.870 -0.314 0.000 1.036 303 L CA -0.331 54.426 54.840 -0.138 0.000 0.807 303 L CB 1.192 43.221 42.059 -0.049 0.000 1.226 303 L HN 0.758 nan 8.230 nan 0.000 0.433 304 W N 1.357 122.682 121.300 0.040 0.000 3.127 304 W HA 0.375 5.189 4.660 0.258 0.000 0.330 304 W C -0.210 176.342 176.519 0.054 0.000 1.187 304 W CA -0.635 56.736 57.345 0.044 0.000 1.198 304 W CB 1.635 31.111 29.460 0.027 0.000 1.408 304 W HN 0.296 nan 8.180 nan 0.000 0.529 305 N N 3.420 122.429 118.700 0.515 0.000 2.936 305 N HA 0.200 5.101 4.740 0.268 0.000 0.243 305 N C 0.455 176.110 175.510 0.241 0.000 1.149 305 N CA -0.046 53.189 53.050 0.309 0.000 0.914 305 N CB 0.501 39.148 38.487 0.266 0.000 1.179 305 N HN 0.538 nan 8.380 nan 0.000 0.502 306 L N 1.009 122.332 121.223 0.166 0.000 2.362 306 L HA 0.103 4.604 4.340 0.268 0.000 0.219 306 L C 1.519 178.448 176.870 0.099 0.000 1.134 306 L CA 0.537 55.424 54.840 0.078 0.000 0.807 306 L CB -1.014 41.081 42.059 0.059 0.000 0.927 306 L HN 0.559 nan 8.230 nan 0.000 0.447 307 G N 1.742 110.610 108.800 0.114 0.000 2.645 307 G HA2 -0.340 3.781 3.960 0.268 0.000 0.246 307 G HA3 -0.340 3.781 3.960 0.268 0.000 0.246 307 G C 0.253 175.215 174.900 0.104 0.000 1.322 307 G CA 0.200 45.365 45.100 0.109 0.000 0.898 307 G HN 0.451 nan 8.290 nan 0.000 0.573 308 D N -0.872 119.588 120.400 0.100 0.000 2.363 308 D HA 0.028 4.829 4.640 0.268 0.000 0.220 308 D C 1.387 177.744 176.300 0.095 0.000 0.994 308 D CA 1.571 55.618 54.000 0.078 0.000 0.890 308 D CB -0.457 40.381 40.800 0.062 0.000 0.906 308 D HN 0.779 nan 8.370 nan 0.000 0.530 309 H N 1.387 120.479 119.070 0.037 0.000 2.497 309 H HA -0.231 4.484 4.556 0.264 0.000 0.294 309 H C 1.672 177.035 175.328 0.058 0.000 1.056 309 H CA 2.892 58.965 56.048 0.042 0.000 1.124 309 H CB -0.227 29.551 29.762 0.026 0.000 1.407 309 H HN -0.056 nan 8.280 nan 0.000 0.617 310 E N 0.010 120.269 120.200 0.099 0.000 2.149 310 E HA -0.214 4.297 4.350 0.268 0.000 0.215 310 E C 2.364 178.938 176.600 -0.044 0.000 1.055 310 E CA 1.594 58.006 56.400 0.021 0.000 0.870 310 E CB -0.628 29.123 29.700 0.085 0.000 0.764 310 E HN 0.445 nan 8.360 nan 0.000 0.463 311 L N -0.143 121.081 121.223 0.002 0.000 2.141 311 L HA -0.135 4.366 4.340 0.268 0.000 0.209 311 L C 2.100 178.996 176.870 0.044 0.000 1.094 311 L CA 1.301 56.150 54.840 0.015 0.000 0.763 311 L CB -0.477 41.562 42.059 -0.033 0.000 0.908 311 L HN 0.238 nan 8.230 nan 0.000 0.437 312 L N -0.989 120.237 121.223 0.005 0.000 2.007 312 L HA -0.240 4.261 4.340 0.268 0.000 0.205 312 L C 2.593 179.483 176.870 0.033 0.000 1.073 312 L CA 1.501 56.354 54.840 0.022 0.000 0.744 312 L CB -0.710 41.346 42.059 -0.005 0.000 0.898 312 L HN 0.327 nan 8.230 nan 0.000 0.435 313 H N -1.182 117.777 119.070 -0.186 0.000 2.390 313 H HA -0.234 4.482 4.556 0.266 0.000 0.298 313 H C 2.352 177.584 175.328 -0.161 0.000 1.106 313 H CA 1.287 57.223 56.048 -0.188 0.000 1.297 313 H CB 0.220 29.806 29.762 -0.293 0.000 1.375 313 H HN 0.191 nan 8.280 nan 0.000 0.509 314 M N 0.443 119.937 119.600 -0.178 0.000 2.149 314 M HA -0.205 4.436 4.480 0.268 0.000 0.261 314 M C 0.115 176.089 176.300 -0.544 0.000 1.064 314 M CA 1.646 56.657 55.300 -0.480 0.000 1.102 314 M CB -0.098 32.126 32.600 -0.628 0.000 1.369 314 M HN 0.342 nan 8.290 nan 0.000 0.408 315 Y N -0.178 120.121 120.300 -0.003 0.000 2.470 315 Y HA 0.332 5.041 4.550 0.265 0.000 0.352 315 Y C -1.941 173.963 175.900 0.007 0.000 0.967 315 Y CA -2.830 55.270 58.100 0.000 0.000 1.121 315 Y CB -0.485 37.969 38.460 -0.010 0.000 1.149 315 Y HN 0.148 nan 8.280 nan 0.000 0.641 316 P HA -0.002 nan 4.420 nan 0.000 0.270 316 P C 1.098 178.441 177.300 0.072 0.000 1.216 316 P CA 1.669 64.818 63.100 0.082 0.000 0.788 316 P CB 1.098 32.836 31.700 0.063 0.000 0.883 317 G N 1.712 110.539 108.800 0.045 0.000 3.099 317 G HA2 -0.374 3.747 3.960 0.268 0.000 0.331 317 G HA3 -0.374 3.747 3.960 0.268 0.000 0.331 317 G C 0.443 175.363 174.900 0.033 0.000 1.216 317 G CA 0.603 45.724 45.100 0.036 0.000 0.977 317 G HN 0.762 nan 8.290 nan 0.000 0.600 318 N N 1.346 120.065 118.700 0.033 0.000 2.257 318 N HA 0.178 5.078 4.740 0.268 0.000 0.289 318 N C 1.033 176.537 175.510 -0.011 0.000 1.348 318 N CA 0.387 53.442 53.050 0.010 0.000 1.054 318 N CB 0.446 38.934 38.487 0.002 0.000 1.478 318 N HN 0.437 nan 8.380 nan 0.000 0.486 319 V N 1.897 121.798 119.914 -0.021 0.000 3.431 319 V HA -0.069 4.212 4.120 0.268 0.000 0.253 319 V C 1.631 177.593 176.094 -0.220 0.000 1.184 319 V CA 0.963 63.216 62.300 -0.078 0.000 1.104 319 V CB 0.310 32.116 31.823 -0.029 0.000 0.799 319 V HN 0.579 nan 8.190 nan 0.000 0.462 320 S N 0.342 115.992 115.700 -0.083 0.000 2.359 320 S HA -0.271 4.360 4.470 0.268 0.000 0.224 320 S C 1.852 176.386 174.600 -0.110 0.000 1.035 320 S CA 1.901 60.102 58.200 0.001 0.000 1.018 320 S CB -0.429 62.836 63.200 0.107 0.000 0.876 320 S HN 0.606 nan 8.310 nan 0.000 0.448 321 K N 0.869 121.201 120.400 -0.114 0.000 2.589 321 K HA -0.012 4.469 4.320 0.268 0.000 0.195 321 K C 1.034 177.523 176.600 -0.186 0.000 1.040 321 K CA 0.657 56.860 56.287 -0.140 0.000 0.950 321 K CB -0.211 32.190 32.500 -0.164 0.000 0.781 321 K HN 0.387 nan 8.250 nan 0.000 0.486 322 L N -0.498 120.585 121.223 -0.233 0.000 2.638 322 L HA 0.117 4.617 4.340 0.268 0.000 0.232 322 L C 0.261 177.087 176.870 -0.073 0.000 1.099 322 L CA -0.513 54.260 54.840 -0.111 0.000 0.883 322 L CB -0.068 41.937 42.059 -0.089 0.000 1.136 322 L HN 0.105 nan 8.230 nan 0.000 0.492 323 H N 1.935 121.033 119.070 0.047 0.000 3.125 323 H HA 0.164 4.878 4.556 0.263 0.000 0.310 323 H C 0.394 175.752 175.328 0.051 0.000 0.980 323 H CA 0.499 56.575 56.048 0.048 0.000 1.422 323 H CB 0.582 30.356 29.762 0.020 0.000 1.432 323 H HN 0.103 nan 8.280 nan 0.000 0.577 324 G N 3.417 112.336 108.800 0.198 0.000 2.470 324 G HA2 0.350 4.471 3.960 0.268 0.000 0.320 324 G HA3 0.350 4.471 3.960 0.268 0.000 0.320 324 G C -0.153 174.813 174.900 0.111 0.000 1.245 324 G CA -0.864 44.323 45.100 0.145 0.000 0.935 324 G HN 0.473 nan 8.290 nan 0.000 0.476 325 R N 1.276 121.818 120.500 0.070 0.000 2.370 325 R HA 0.142 4.643 4.340 0.268 0.000 0.309 325 R C -0.955 175.378 176.300 0.054 0.000 1.059 325 R CA -0.136 55.994 56.100 0.051 0.000 0.981 325 R CB 0.912 31.229 30.300 0.028 0.000 0.972 325 R HN 0.551 nan 8.270 nan 0.000 0.437 326 D N 2.926 123.357 120.400 0.053 0.000 2.462 326 D HA 0.287 5.088 4.640 0.268 0.000 0.249 326 D C 0.797 177.122 176.300 0.042 0.000 1.117 326 D CA 0.485 54.518 54.000 0.056 0.000 0.900 326 D CB 0.668 41.507 40.800 0.064 0.000 1.039 326 D HN 0.661 nan 8.370 nan 0.000 0.516 327 G N 4.089 112.911 108.800 0.038 0.000 2.561 327 G HA2 -0.340 3.781 3.960 0.268 0.000 0.289 327 G HA3 -0.340 3.781 3.960 0.268 0.000 0.289 327 G C 0.509 175.421 174.900 0.020 0.000 1.169 327 G CA 0.002 45.118 45.100 0.027 0.000 0.980 327 G HN 0.567 nan 8.290 nan 0.000 0.550 328 R N 1.060 121.568 120.500 0.014 0.000 2.893 328 R HA 0.322 4.823 4.340 0.268 0.000 0.317 328 R C -0.281 176.020 176.300 0.002 0.000 1.239 328 R CA 0.090 56.194 56.100 0.006 0.000 1.128 328 R CB 0.245 30.547 30.300 0.003 0.000 1.377 328 R HN 0.364 nan 8.270 nan 0.000 0.583 329 K N 0.971 121.376 120.400 0.009 0.000 2.463 329 K HA 0.298 4.778 4.320 0.268 0.000 0.255 329 K C -0.908 175.698 176.600 0.010 0.000 0.942 329 K CA -0.847 55.444 56.287 0.006 0.000 0.814 329 K CB 1.758 34.268 32.500 0.017 0.000 1.122 329 K HN -0.032 nan 8.250 nan 0.000 0.425 330 N N 2.560 121.246 118.700 -0.023 0.000 2.411 330 N HA 0.218 5.118 4.740 0.268 0.000 0.259 330 N C -0.828 174.694 175.510 0.020 0.000 1.103 330 N CA -0.125 52.904 53.050 -0.035 0.000 0.954 330 N CB 1.697 40.068 38.487 -0.194 0.000 1.085 330 N HN 0.259 nan 8.380 nan 0.000 0.485 331 V N 2.140 122.148 119.914 0.156 0.000 3.182 331 V HA 0.427 4.708 4.120 0.268 0.000 0.308 331 V C -1.096 175.153 176.094 0.258 0.000 1.240 331 V CA -0.726 61.702 62.300 0.213 0.000 1.063 331 V CB 2.648 34.542 31.823 0.120 0.000 1.076 331 V HN 0.245 nan 8.190 nan 0.000 0.446 332 V N 5.559 125.578 119.914 0.175 0.000 2.347 332 V HA 0.448 4.729 4.120 0.268 0.000 0.280 332 V C -1.972 174.157 176.094 0.058 0.000 1.021 332 V CA -1.357 60.989 62.300 0.076 0.000 0.847 332 V CB 1.523 33.364 31.823 0.030 0.000 0.990 332 V HN 0.889 nan 8.190 nan 0.000 0.444 333 P HA 0.069 nan 4.420 nan 0.000 0.272 333 P C -0.529 176.789 177.300 0.031 0.000 1.248 333 P CA -0.288 62.831 63.100 0.032 0.000 0.799 333 P CB 0.832 32.549 31.700 0.029 0.000 0.997 334 C N 0.635 119.967 119.300 0.053 0.000 2.322 334 C HA 0.330 4.951 4.460 0.268 0.000 0.324 334 C C 0.327 175.340 174.990 0.038 0.000 1.284 334 C CA -0.498 58.559 59.018 0.065 0.000 1.606 334 C CB 0.337 28.134 27.740 0.095 0.000 2.251 334 C HN 0.382 nan 8.230 nan 0.000 0.502 335 V N 4.673 124.607 119.914 0.033 0.000 2.427 335 V HA 0.406 4.687 4.120 0.268 0.000 0.268 335 V C -0.252 175.828 176.094 -0.023 0.000 1.046 335 V CA -0.096 62.163 62.300 -0.070 0.000 0.970 335 V CB 0.597 32.403 31.823 -0.029 0.000 1.001 335 V HN 0.779 nan 8.190 nan 0.000 0.476 336 L N 5.173 126.358 121.223 -0.063 0.000 2.313 336 L HA 0.542 5.043 4.340 0.268 0.000 0.273 336 L C 0.383 177.225 176.870 -0.047 0.000 1.028 336 L CA 0.020 54.892 54.840 0.053 0.000 0.871 336 L CB 1.288 43.457 42.059 0.183 0.000 1.242 336 L HN 0.868 nan 8.230 nan 0.000 0.434 337 S N 3.738 119.446 115.700 0.013 0.000 2.489 337 S HA 0.576 5.207 4.470 0.268 0.000 0.277 337 S C -0.462 174.138 174.600 -0.001 0.000 1.230 337 S CA -0.500 57.688 58.200 -0.019 0.000 1.053 337 S CB 0.907 64.138 63.200 0.052 0.000 0.955 337 S HN 0.408 nan 8.310 nan 0.000 0.488 338 V N 6.132 125.986 119.914 -0.100 0.000 2.555 338 V HA 0.605 4.886 4.120 0.268 0.000 0.302 338 V C -0.104 175.989 176.094 -0.001 0.000 1.038 338 V CA -0.968 61.288 62.300 -0.074 0.000 0.887 338 V CB 1.812 33.502 31.823 -0.222 0.000 0.991 338 V HN 0.892 nan 8.190 nan 0.000 0.434 339 N N 2.535 121.272 118.700 0.062 0.000 2.549 339 N HA 0.452 5.352 4.740 0.268 0.000 0.290 339 N C -0.528 175.054 175.510 0.120 0.000 1.122 339 N CA -0.079 53.016 53.050 0.074 0.000 0.885 339 N CB 2.419 40.953 38.487 0.079 0.000 1.455 339 N HN 0.884 nan 8.380 nan 0.000 0.521 340 G N 0.871 109.758 108.800 0.145 0.000 2.432 340 G HA2 0.241 4.362 3.960 0.268 0.000 0.331 340 G HA3 0.241 4.362 3.960 0.268 0.000 0.331 340 G C -0.880 174.133 174.900 0.189 0.000 1.170 340 G CA -0.304 44.957 45.100 0.268 0.000 0.943 340 G HN 0.471 nan 8.290 nan 0.000 0.483 341 D N 1.967 122.524 120.400 0.263 0.000 2.479 341 D HA 0.152 4.952 4.640 0.268 0.000 0.218 341 D C 1.691 178.166 176.300 0.292 0.000 1.131 341 D CA -0.328 53.794 54.000 0.203 0.000 0.916 341 D CB 0.992 41.890 40.800 0.164 0.000 1.022 341 D HN 0.196 nan 8.370 nan 0.000 0.515 342 L N 2.324 123.661 121.223 0.190 0.000 2.081 342 L HA -0.188 4.313 4.340 0.268 0.000 0.212 342 L C 1.647 178.670 176.870 0.255 0.000 1.080 342 L CA 1.026 55.986 54.840 0.200 0.000 0.754 342 L CB 0.041 42.137 42.059 0.062 0.000 0.893 342 L HN 0.342 nan 8.230 nan 0.000 0.433 343 D N -0.546 120.011 120.400 0.261 0.000 2.123 343 D HA -0.181 4.620 4.640 0.268 0.000 0.200 343 D C 2.208 178.711 176.300 0.338 0.000 0.976 343 D CA 0.978 55.188 54.000 0.350 0.000 0.831 343 D CB -0.057 40.990 40.800 0.411 0.000 0.974 343 D HN 0.220 nan 8.370 nan 0.000 0.469 344 R N 0.542 121.225 120.500 0.305 0.000 2.148 344 R HA -0.058 4.443 4.340 0.268 0.000 0.227 344 R C 2.171 178.670 176.300 0.331 0.000 1.103 344 R CA 1.328 57.613 56.100 0.309 0.000 0.983 344 R CB -0.241 30.210 30.300 0.251 0.000 0.874 344 R HN 0.132 nan 8.270 nan 0.000 0.451 345 G N 0.126 109.152 108.800 0.377 0.000 2.448 345 G HA2 -0.196 3.925 3.960 0.268 0.000 0.218 345 G HA3 -0.196 3.925 3.960 0.268 0.000 0.218 345 G C 1.337 176.419 174.900 0.304 0.000 1.135 345 G CA 0.102 45.480 45.100 0.462 0.000 0.784 345 G HN 0.189 nan 8.290 nan 0.000 0.543 346 M N 0.268 120.031 119.600 0.270 0.000 2.349 346 M HA 0.201 4.842 4.480 0.268 0.000 0.266 346 M C 2.202 178.583 176.300 0.134 0.000 1.076 346 M CA 0.937 56.342 55.300 0.175 0.000 1.126 346 M CB -0.262 32.356 32.600 0.029 0.000 1.392 346 M HN 0.232 nan 8.290 nan 0.000 0.440 347 L N -1.040 120.309 121.223 0.210 0.000 2.202 347 L HA 0.054 4.555 4.340 0.268 0.000 0.205 347 L C 2.643 179.713 176.870 0.333 0.000 1.083 347 L CA 0.666 55.691 54.840 0.308 0.000 0.790 347 L CB -1.232 41.087 42.059 0.433 0.000 0.942 347 L HN 0.188 nan 8.230 nan 0.000 0.452 348 A N 0.315 123.186 122.820 0.085 0.000 1.892 348 A HA -0.260 4.220 4.320 0.268 0.000 0.218 348 A C 2.084 179.290 177.584 -0.630 0.000 1.188 348 A CA 1.841 53.448 52.037 -0.717 0.000 0.631 348 A CB -0.907 17.542 19.000 -0.919 0.000 0.822 348 A HN 0.348 nan 8.150 nan 0.000 0.447 349 Y N -0.387 119.837 120.300 -0.126 0.000 2.200 349 Y HA -0.061 4.649 4.550 0.267 0.000 0.290 349 Y C 2.213 178.085 175.900 -0.047 0.000 1.137 349 Y CA 1.073 59.137 58.100 -0.060 0.000 1.163 349 Y CB -0.716 37.734 38.460 -0.016 0.000 0.988 349 Y HN 0.190 nan 8.280 nan 0.000 0.518 350 L N -1.707 119.559 121.223 0.071 0.000 2.043 350 L HA -0.297 4.204 4.340 0.268 0.000 0.212 350 L C 2.089 178.938 176.870 -0.034 0.000 1.075 350 L CA 1.654 56.425 54.840 -0.115 0.000 0.752 350 L CB -0.767 41.121 42.059 -0.285 0.000 0.891 350 L HN 0.185 nan 8.230 nan 0.000 0.432 351 Y N -0.289 120.032 120.300 0.035 0.000 2.109 351 Y HA -0.306 4.405 4.550 0.268 0.000 0.285 351 Y C 2.410 178.401 175.900 0.150 0.000 1.131 351 Y CA 1.809 59.989 58.100 0.133 0.000 1.121 351 Y CB -0.512 38.059 38.460 0.186 0.000 0.987 351 Y HN 0.253 nan 8.280 nan 0.000 0.495 352 D N -0.314 120.245 120.400 0.265 0.000 2.397 352 D HA -0.159 4.642 4.640 0.268 0.000 0.219 352 D C 1.058 177.494 176.300 0.227 0.000 0.975 352 D CA 1.394 55.553 54.000 0.265 0.000 0.940 352 D CB -0.185 40.775 40.800 0.266 0.000 0.884 352 D HN 0.255 nan 8.370 nan 0.000 0.505 353 S N -2.199 113.621 115.700 0.200 0.000 2.741 353 S HA 0.202 4.833 4.470 0.268 0.000 0.247 353 S C 0.537 175.266 174.600 0.215 0.000 1.050 353 S CA -0.902 57.395 58.200 0.161 0.000 1.025 353 S CB -0.203 63.060 63.200 0.105 0.000 0.897 353 S HN 0.193 nan 8.310 nan 0.000 0.508 354 F N 2.209 122.175 119.950 0.027 0.000 2.539 354 F HA 0.515 5.203 4.527 0.268 0.000 0.277 354 F C 0.854 176.672 175.800 0.031 0.000 0.925 354 F CA 0.249 58.250 58.000 0.002 0.000 1.193 354 F CB -0.240 38.733 39.000 -0.044 0.000 1.128 354 F HN 0.179 nan 8.300 nan 0.000 0.740 369 R N 0.952 121.490 120.500 0.065 0.000 3.531 369 R HA -0.173 4.327 4.340 0.268 0.000 0.280 369 R C 0.974 177.308 176.300 0.057 0.000 1.130 369 R CA 1.003 57.131 56.100 0.046 0.000 0.757 369 R CB -0.670 29.649 30.300 0.032 0.000 1.218 369 R HN 0.358 nan 8.270 nan 0.000 0.454 370 K N 0.697 121.161 120.400 0.105 0.000 2.004 370 K HA 0.115 4.596 4.320 0.268 0.000 0.217 370 K C 1.026 177.726 176.600 0.167 0.000 1.026 370 K CA 0.844 57.233 56.287 0.170 0.000 0.979 370 K CB -0.362 32.299 32.500 0.268 0.000 0.818 370 K HN 0.101 nan 8.250 nan 0.000 0.447 371 V N 1.431 121.457 119.914 0.187 0.000 3.607 371 V HA -0.203 4.078 4.120 0.268 0.000 0.511 371 V C -1.301 174.911 176.094 0.196 0.000 0.682 371 V CA -0.128 62.259 62.300 0.145 0.000 2.061 371 V CB -0.222 31.643 31.823 0.070 0.000 2.480 371 V HN 0.242 nan 8.190 nan 0.000 0.511 372 L N 8.223 129.536 121.223 0.151 0.000 2.265 372 L HA 0.490 4.991 4.340 0.268 0.000 0.288 372 L C 0.847 177.758 176.870 0.069 0.000 1.058 372 L CA 0.283 55.192 54.840 0.115 0.000 0.809 372 L CB 1.301 43.360 42.059 0.000 0.000 1.179 372 L HN 0.608 nan 8.230 nan 0.000 0.429 373 K N 4.537 124.978 120.400 0.067 0.000 3.127 373 K HA 0.329 4.809 4.320 0.268 0.000 0.236 373 K C -0.173 176.442 176.600 0.026 0.000 1.271 373 K CA -0.356 55.950 56.287 0.032 0.000 1.224 373 K CB 0.074 32.592 32.500 0.031 0.000 1.482 373 K HN 0.483 nan 8.250 nan 0.000 0.435 374 L N 1.489 122.723 121.223 0.019 0.000 2.536 374 L HA -0.087 4.414 4.340 0.268 0.000 0.294 374 L C 1.199 178.082 176.870 0.022 0.000 1.257 374 L CA 0.272 55.120 54.840 0.014 0.000 0.850 374 L CB 0.039 42.099 42.059 0.002 0.000 1.105 374 L HN 0.458 nan 8.230 nan 0.000 0.517 375 H N 4.077 123.106 119.070 -0.069 0.000 2.732 375 H HA 0.059 4.776 4.556 0.269 0.000 0.351 375 H C -1.838 173.486 175.328 -0.006 0.000 1.090 375 H CA -1.683 54.352 56.048 -0.022 0.000 1.431 375 H CB 1.450 31.211 29.762 -0.002 0.000 1.447 375 H HN 0.329 nan 8.280 nan 0.000 0.582 376 P HA -0.239 nan 4.420 nan 0.000 0.216 376 P C 0.963 178.393 177.300 0.216 0.000 1.167 376 P CA 2.590 65.752 63.100 0.104 0.000 0.933 376 P CB -0.130 31.633 31.700 0.106 0.000 0.793 377 C N -3.161 116.378 119.300 0.399 0.000 2.313 377 C HA 0.411 5.032 4.460 0.268 0.000 0.369 377 C C 1.322 176.285 174.990 -0.045 0.000 1.303 377 C CA -0.304 58.808 59.018 0.157 0.000 1.666 377 C CB -2.269 25.578 27.740 0.177 0.000 1.793 377 C HN 0.098 nan 8.230 nan 0.000 0.590 378 L N -0.123 121.080 121.223 -0.032 0.000 3.316 378 L HA 0.442 4.943 4.340 0.268 0.000 0.300 378 L C 1.599 178.439 176.870 -0.051 0.000 1.128 378 L CA 0.673 55.417 54.840 -0.161 0.000 1.111 378 L CB -0.541 41.317 42.059 -0.334 0.000 1.687 378 L HN 0.337 nan 8.230 nan 0.000 0.594 379 A N 1.657 124.480 122.820 0.005 0.000 2.561 379 A HA 0.277 4.757 4.320 0.268 0.000 0.234 379 A C -1.424 176.188 177.584 0.047 0.000 1.055 379 A CA -0.151 51.908 52.037 0.037 0.000 0.756 379 A CB -0.368 18.644 19.000 0.019 0.000 0.986 379 A HN 0.198 nan 8.150 nan 0.000 0.505 380 P HA 0.046 nan 4.420 nan 0.000 0.221 380 P C 0.113 177.439 177.300 0.043 0.000 1.155 380 P CA 1.090 64.223 63.100 0.054 0.000 0.812 380 P CB 0.216 31.942 31.700 0.044 0.000 0.801 381 I N 0.028 120.622 120.570 0.040 0.000 2.466 381 I HA 0.227 4.557 4.170 0.268 0.000 0.279 381 I C 1.162 177.298 176.117 0.032 0.000 1.033 381 I CA -0.584 60.750 61.300 0.056 0.000 1.123 381 I CB 1.852 39.898 38.000 0.078 0.000 1.237 381 I HN -0.317 nan 8.210 nan 0.000 0.460 382 K N 3.315 123.738 120.400 0.040 0.000 2.283 382 K HA 0.025 4.506 4.320 0.268 0.000 0.202 382 K C 0.293 176.926 176.600 0.056 0.000 1.048 382 K CA 0.902 57.205 56.287 0.027 0.000 0.948 382 K CB 0.442 32.962 32.500 0.034 0.000 0.742 382 K HN 0.382 nan 8.250 nan 0.000 0.458 383 V N -0.348 119.615 119.914 0.080 0.000 2.775 383 V HA 0.513 4.794 4.120 0.268 0.000 0.295 383 V C -1.642 174.515 176.094 0.105 0.000 1.226 383 V CA -0.737 61.629 62.300 0.109 0.000 0.934 383 V CB 1.433 33.345 31.823 0.149 0.000 1.056 383 V HN 0.115 nan 8.190 nan 0.000 0.436 384 A N 6.089 128.911 122.820 0.003 0.000 2.242 384 A HA 1.069 5.550 4.320 0.268 0.000 0.304 384 A C -0.672 176.967 177.584 0.091 0.000 1.100 384 A CA -0.172 51.836 52.037 -0.050 0.000 0.860 384 A CB 1.214 19.778 19.000 -0.727 0.000 1.168 384 A HN 2.206 nan 8.150 nan 0.000 0.503 385 L N -1.418 119.904 121.223 0.165 0.000 3.586 385 L HA 0.501 5.002 4.340 0.268 0.000 0.267 385 L C -1.667 175.362 176.870 0.265 0.000 0.980 385 L CA -0.852 54.119 54.840 0.218 0.000 1.199 385 L CB 0.683 42.865 42.059 0.205 0.000 1.946 385 L HN 0.678 nan 8.230 nan 0.000 0.595 386 D N 1.884 122.438 120.400 0.257 0.000 2.614 386 D HA 0.718 5.519 4.640 0.268 0.000 0.264 386 D C -0.046 176.362 176.300 0.179 0.000 1.092 386 D CA -0.464 53.682 54.000 0.244 0.000 1.071 386 D CB 2.239 43.180 40.800 0.236 0.000 1.443 386 D HN 0.592 nan 8.370 nan 0.000 0.528 387 V N -3.305 116.698 119.914 0.148 0.000 3.170 387 V HA 0.843 5.124 4.120 0.268 0.000 0.309 387 V C 0.570 176.710 176.094 0.076 0.000 1.071 387 V CA 0.259 62.617 62.300 0.096 0.000 1.063 387 V CB 0.861 32.729 31.823 0.074 0.000 1.123 387 V HN 0.899 nan 8.190 nan 0.000 0.464 388 G N 1.093 109.926 108.800 0.056 0.000 3.354 388 G HA2 0.330 4.451 3.960 0.268 0.000 0.174 388 G HA3 0.330 4.451 3.960 0.268 0.000 0.174 388 G C -0.173 174.744 174.900 0.028 0.000 1.140 388 G CA -0.802 44.323 45.100 0.040 0.000 0.897 388 G HN 0.976 nan 8.290 nan 0.000 0.685 389 R N 1.296 121.812 120.500 0.026 0.000 2.413 389 R HA 0.502 5.003 4.340 0.268 0.000 0.333 389 R C 0.229 176.540 176.300 0.020 0.000 1.074 389 R CA 0.691 56.803 56.100 0.020 0.000 0.982 389 R CB -0.503 29.809 30.300 0.019 0.000 0.981 389 R HN 1.436 nan 8.270 nan 0.000 0.452 390 G N 3.215 112.024 108.800 0.015 0.000 2.373 390 G HA2 0.069 4.190 3.960 0.268 0.000 0.250 390 G HA3 0.069 4.190 3.960 0.268 0.000 0.250 390 G C -2.807 172.099 174.900 0.010 0.000 1.304 390 G CA -0.683 44.424 45.100 0.011 0.000 0.948 390 G HN 0.518 nan 8.290 nan 0.000 0.474 391 P HA 0.506 nan 4.420 nan 0.000 0.279 391 P C -0.050 177.255 177.300 0.008 0.000 1.282 391 P CA 0.280 63.383 63.100 0.005 0.000 0.788 391 P CB 1.446 33.147 31.700 0.001 0.000 1.139 392 T N -0.599 113.959 114.554 0.007 0.000 3.610 392 T HA 0.142 4.652 4.350 0.268 0.000 0.209 392 T C 1.644 176.348 174.700 0.007 0.000 0.889 392 T CA 0.047 62.155 62.100 0.013 0.000 1.469 392 T CB -0.866 68.011 68.868 0.014 0.000 1.557 392 T HN 0.223 nan 8.240 nan 0.000 0.431 393 L N 1.571 122.797 121.223 0.004 0.000 2.740 393 L HA 0.036 4.537 4.340 0.268 0.000 0.242 393 L C 1.729 178.592 176.870 -0.012 0.000 1.175 393 L CA 1.233 56.072 54.840 -0.001 0.000 0.859 393 L CB -0.604 41.456 42.059 0.000 0.000 0.992 393 L HN 0.444 nan 8.230 nan 0.000 0.454 394 E N -1.025 119.168 120.200 -0.013 0.000 2.508 394 E HA 0.030 4.541 4.350 0.268 0.000 0.217 394 E C 1.344 177.929 176.600 -0.025 0.000 0.896 394 E CA -0.041 56.348 56.400 -0.018 0.000 1.118 394 E CB 0.576 30.269 29.700 -0.011 0.000 1.133 394 E HN 0.213 nan 8.360 nan 0.000 0.526 395 L N 0.307 121.517 121.223 -0.023 0.000 2.638 395 L HA 0.248 4.749 4.340 0.268 0.000 0.232 395 L C 1.708 178.546 176.870 -0.053 0.000 1.099 395 L CA 0.817 55.642 54.840 -0.026 0.000 0.883 395 L CB 0.270 42.326 42.059 -0.004 0.000 1.136 395 L HN -0.156 nan 8.230 nan 0.000 0.492 396 R N -0.701 119.761 120.500 -0.062 0.000 2.075 396 R HA -0.033 4.468 4.340 0.268 0.000 0.220 396 R C 2.046 178.192 176.300 -0.256 0.000 1.118 396 R CA 1.224 57.248 56.100 -0.127 0.000 0.986 396 R CB -0.228 30.070 30.300 -0.005 0.000 0.884 396 R HN 0.530 nan 8.270 nan 0.000 0.439 397 Q N 0.654 120.367 119.800 -0.144 0.000 2.173 397 Q HA -0.188 4.313 4.340 0.268 0.000 0.208 397 Q C 1.991 177.898 176.000 -0.155 0.000 0.989 397 Q CA 1.989 57.713 55.803 -0.132 0.000 0.872 397 Q CB -0.646 28.052 28.738 -0.067 0.000 0.909 397 Q HN 0.251 nan 8.270 nan 0.000 0.420 398 V N 0.718 120.548 119.914 -0.140 0.000 2.358 398 V HA -0.232 4.048 4.120 0.268 0.000 0.246 398 V C 2.268 178.265 176.094 -0.161 0.000 1.047 398 V CA 1.807 64.040 62.300 -0.111 0.000 1.035 398 V CB -0.581 31.199 31.823 -0.072 0.000 0.658 398 V HN 0.727 nan 8.190 nan 0.000 0.452 399 C N 0.344 119.472 119.300 -0.286 0.000 2.367 399 C HA -0.271 4.350 4.460 0.268 0.000 0.276 399 C C 2.718 177.500 174.990 -0.347 0.000 1.195 399 C CA 1.879 60.664 59.018 -0.389 0.000 1.756 399 C CB -1.505 25.725 27.740 -0.849 0.000 2.046 399 C HN 0.687 nan 8.230 nan 0.000 0.453 400 Q N 0.026 119.517 119.800 -0.514 0.000 2.308 400 Q HA -0.124 4.377 4.340 0.268 0.000 0.209 400 Q C 2.328 178.350 176.000 0.036 0.000 0.985 400 Q CA 1.648 57.358 55.803 -0.156 0.000 0.881 400 Q CB -0.414 28.239 28.738 -0.142 0.000 0.917 400 Q HN 0.856 nan 8.270 nan 0.000 0.443 401 G N 0.449 109.231 108.800 -0.030 0.000 2.408 401 G HA2 -0.179 3.942 3.960 0.268 0.000 0.217 401 G HA3 -0.179 3.942 3.960 0.268 0.000 0.217 401 G C 1.313 176.236 174.900 0.039 0.000 1.150 401 G CA 0.405 45.509 45.100 0.007 0.000 0.776 401 G HN 0.201 nan 8.290 nan 0.000 0.542 402 L N -1.092 120.162 121.223 0.052 0.000 2.162 402 L HA 0.186 4.687 4.340 0.268 0.000 0.205 402 L C 2.457 179.409 176.870 0.137 0.000 1.086 402 L CA 0.126 55.013 54.840 0.078 0.000 0.778 402 L CB -0.366 41.740 42.059 0.078 0.000 0.928 402 L HN 0.156 nan 8.230 nan 0.000 0.446 403 F N 2.009 121.965 119.950 0.009 0.000 2.025 403 F HA -0.308 4.380 4.527 0.268 0.000 0.297 403 F C 2.439 178.259 175.800 0.034 0.000 1.132 403 F CA 1.933 59.966 58.000 0.055 0.000 1.191 403 F CB -0.454 38.609 39.000 0.105 0.000 0.963 403 F HN 0.136 nan 8.300 nan 0.000 0.481 404 N N 0.481 119.221 118.700 0.065 0.000 2.084 404 N HA -0.217 4.684 4.740 0.268 0.000 0.190 404 N C 1.964 177.439 175.510 -0.058 0.000 1.030 404 N CA 1.560 54.577 53.050 -0.055 0.000 0.849 404 N CB -0.892 37.611 38.487 0.028 0.000 1.012 404 N HN 0.536 nan 8.380 nan 0.000 0.423 405 E N 0.214 120.409 120.200 -0.008 0.000 2.070 405 E HA -0.186 4.325 4.350 0.268 0.000 0.197 405 E C 1.570 178.155 176.600 -0.024 0.000 1.004 405 E CA 0.946 57.342 56.400 -0.007 0.000 0.805 405 E CB 0.073 29.781 29.700 0.013 0.000 0.744 405 E HN 0.047 nan 8.360 nan 0.000 0.451 406 L N 0.659 121.865 121.223 -0.028 0.000 1.988 406 L HA -0.162 4.338 4.340 0.268 0.000 0.207 406 L C 2.445 179.261 176.870 -0.091 0.000 1.071 406 L CA 1.416 56.233 54.840 -0.038 0.000 0.744 406 L CB -1.149 40.905 42.059 -0.007 0.000 0.893 406 L HN 0.284 nan 8.230 nan 0.000 0.433 407 L N -0.507 120.602 121.223 -0.191 0.000 2.013 407 L HA -0.274 4.227 4.340 0.268 0.000 0.212 407 L C 2.246 179.042 176.870 -0.123 0.000 1.073 407 L CA 1.451 56.158 54.840 -0.221 0.000 0.753 407 L CB -0.625 41.203 42.059 -0.384 0.000 0.890 407 L HN 0.396 nan 8.230 nan 0.000 0.432 408 E N -0.170 119.972 120.200 -0.097 0.000 2.510 408 E HA -0.151 4.360 4.350 0.268 0.000 0.202 408 E C 0.989 177.568 176.600 -0.036 0.000 1.072 408 E CA 0.350 56.717 56.400 -0.056 0.000 0.883 408 E CB -0.071 29.606 29.700 -0.039 0.000 0.818 408 E HN 0.518 nan 8.360 nan 0.000 0.548 409 N N -0.737 117.941 118.700 -0.037 0.000 2.171 409 N HA 0.049 4.950 4.740 0.268 0.000 0.212 409 N C 0.711 176.213 175.510 -0.013 0.000 1.184 409 N CA 0.697 53.737 53.050 -0.017 0.000 0.888 409 N CB 1.809 40.290 38.487 -0.010 0.000 1.038 409 N HN 0.214 nan 8.380 nan 0.000 0.517 410 G N 1.540 110.324 108.800 -0.026 0.000 2.132 410 G HA2 -0.220 3.901 3.960 0.268 0.000 0.228 410 G HA3 -0.220 3.901 3.960 0.268 0.000 0.228 410 G C -0.109 174.785 174.900 -0.011 0.000 1.000 410 G CA -0.337 44.754 45.100 -0.016 0.000 0.693 410 G HN 0.267 nan 8.290 nan 0.000 0.515 411 I N 2.760 123.317 120.570 -0.022 0.000 2.306 411 I HA 0.269 4.600 4.170 0.268 0.000 0.288 411 I C 1.031 177.143 176.117 -0.008 0.000 1.036 411 I CA -0.424 60.873 61.300 -0.006 0.000 1.221 411 I CB 1.267 39.268 38.000 0.002 0.000 1.385 411 I HN 0.321 nan 8.210 nan 0.000 0.472 412 S N 5.821 121.529 115.700 0.013 0.000 2.629 412 S HA 0.248 4.879 4.470 0.268 0.000 0.302 412 S C -0.185 174.464 174.600 0.082 0.000 1.244 412 S CA -0.692 57.529 58.200 0.035 0.000 1.098 412 S CB 0.341 63.570 63.200 0.048 0.000 0.858 412 S HN 0.339 nan 8.310 nan 0.000 0.502 413 V N 4.453 124.436 119.914 0.115 0.000 2.715 413 V HA 0.482 4.763 4.120 0.268 0.000 0.310 413 V C -0.414 175.878 176.094 0.331 0.000 1.054 413 V CA -0.964 61.473 62.300 0.228 0.000 0.928 413 V CB 1.959 33.958 31.823 0.293 0.000 1.007 413 V HN 1.020 nan 8.190 nan 0.000 0.437 414 W N 6.979 128.335 121.300 0.093 0.000 2.294 414 W HA 0.408 5.228 4.660 0.268 0.000 0.314 414 W C -2.516 173.998 176.519 -0.008 0.000 1.044 414 W CA -2.581 54.777 57.345 0.023 0.000 1.284 414 W CB 2.087 31.488 29.460 -0.097 0.000 1.231 414 W HN 0.411 nan 8.180 nan 0.000 0.419 415 P HA 0.040 nan 4.420 nan 0.000 0.252 415 P C 0.822 177.597 177.300 -0.876 0.000 1.694 415 P CA 0.493 63.048 63.100 -0.908 0.000 1.163 415 P CB -0.085 30.969 31.700 -1.076 0.000 1.934 416 G N 1.960 110.547 108.800 -0.356 0.000 2.683 416 G HA2 -0.200 3.921 3.960 0.268 0.000 0.213 416 G HA3 -0.200 3.921 3.960 0.268 0.000 0.213 416 G C 0.893 175.744 174.900 -0.083 0.000 1.142 416 G CA -0.103 44.988 45.100 -0.016 0.000 0.793 416 G HN 0.445 nan 8.290 nan 0.000 0.534 417 Y N 0.064 120.329 120.300 -0.058 0.000 2.715 417 Y HA 0.411 5.121 4.550 0.268 0.000 0.332 417 Y C 0.347 176.195 175.900 -0.087 0.000 1.213 417 Y CA -0.651 57.415 58.100 -0.058 0.000 1.304 417 Y CB -0.419 37.994 38.460 -0.078 0.000 1.041 417 Y HN 0.017 nan 8.280 nan 0.000 0.502 418 L N 0.578 121.624 121.223 -0.295 0.000 3.291 418 L HA 0.399 4.900 4.340 0.268 0.000 0.307 418 L C -0.470 176.322 176.870 -0.130 0.000 1.303 418 L CA -0.334 54.374 54.840 -0.221 0.000 0.949 418 L CB 0.177 41.998 42.059 -0.397 0.000 1.375 418 L HN 0.073 nan 8.230 nan 0.000 0.596 419 E N -0.868 119.299 120.200 -0.055 0.000 2.232 419 E HA 0.559 5.070 4.350 0.268 0.000 0.264 419 E C 0.180 176.779 176.600 -0.001 0.000 0.973 419 E CA -0.503 55.888 56.400 -0.015 0.000 0.849 419 E CB 2.176 31.894 29.700 0.030 0.000 1.198 419 E HN 0.089 nan 8.360 nan 0.000 0.407 420 T N 0.283 114.838 114.554 0.002 0.000 4.030 420 T HA 0.193 4.704 4.350 0.268 0.000 0.282 420 T C 0.411 175.113 174.700 0.005 0.000 1.102 420 T CA -0.419 61.682 62.100 0.002 0.000 1.138 420 T CB 0.072 68.940 68.868 -0.000 0.000 2.308 420 T HN 0.398 nan 8.240 nan 0.000 0.456 421 M N 2.525 122.127 119.600 0.002 0.000 2.366 421 M HA -0.076 4.565 4.480 0.268 0.000 0.414 421 M C 1.844 178.141 176.300 -0.004 0.000 1.578 421 M CA 0.204 55.504 55.300 -0.001 0.000 0.892 421 M CB 0.276 32.875 32.600 -0.002 0.000 2.082 421 M HN 0.637 nan 8.290 nan 0.000 0.498 422 Q N 2.057 121.854 119.800 -0.006 0.000 2.065 422 Q HA -0.284 4.217 4.340 0.268 0.000 0.213 422 Q C 0.699 176.684 176.000 -0.026 0.000 1.012 422 Q CA 2.102 57.897 55.803 -0.014 0.000 0.876 422 Q CB -0.428 28.299 28.738 -0.017 0.000 0.954 422 Q HN 0.839 nan 8.270 nan 0.000 0.413 423 S N -0.186 115.499 115.700 -0.025 0.000 3.445 423 S HA -0.228 4.403 4.470 0.268 0.000 0.319 423 S C 0.015 174.586 174.600 -0.048 0.000 1.209 423 S CA 0.804 58.985 58.200 -0.031 0.000 0.934 423 S CB -1.949 61.234 63.200 -0.028 0.000 0.999 423 S HN 0.926 nan 8.310 nan 0.000 0.582 424 S N -1.912 113.755 115.700 -0.055 0.000 4.064 424 S HA -0.094 4.537 4.470 0.268 0.000 0.651 424 S C 0.151 174.673 174.600 -0.130 0.000 1.268 424 S CA 0.516 58.669 58.200 -0.078 0.000 1.421 424 S CB -1.131 62.030 63.200 -0.064 0.000 0.335 424 S HN 1.199 nan 8.310 nan 0.000 1.550 425 L N 1.363 122.479 121.223 -0.179 0.000 2.467 425 L HA 0.555 5.056 4.340 0.268 0.000 0.213 425 L C 1.930 178.589 176.870 -0.351 0.000 1.053 425 L CA 1.721 56.343 54.840 -0.362 0.000 0.847 425 L CB -0.489 41.323 42.059 -0.411 0.000 1.075 425 L HN 0.714 nan 8.230 nan 0.000 0.479 426 E N -0.332 119.785 120.200 -0.138 0.000 2.072 426 E HA -0.123 4.387 4.350 0.268 0.000 0.190 426 E C 2.085 178.683 176.600 -0.005 0.000 0.982 426 E CA 0.888 57.290 56.400 0.003 0.000 0.803 426 E CB -0.148 29.564 29.700 0.020 0.000 0.755 426 E HN 0.401 nan 8.360 nan 0.000 0.453 427 Q N -0.391 119.379 119.800 -0.050 0.000 2.226 427 Q HA -0.106 4.395 4.340 0.268 0.000 0.204 427 Q C 1.635 177.574 176.000 -0.102 0.000 0.975 427 Q CA 0.905 56.675 55.803 -0.055 0.000 0.866 427 Q CB 0.016 28.721 28.738 -0.057 0.000 0.915 427 Q HN 0.250 nan 8.270 nan 0.000 0.440 428 L N -1.703 119.429 121.223 -0.150 0.000 2.513 428 L HA 0.048 4.548 4.340 0.268 0.000 0.222 428 L C 1.739 178.497 176.870 -0.188 0.000 1.096 428 L CA 0.730 55.398 54.840 -0.286 0.000 0.857 428 L CB -0.292 41.596 42.059 -0.285 0.000 1.026 428 L HN 0.201 nan 8.230 nan 0.000 0.469 429 Y N -1.021 119.218 120.300 -0.101 0.000 2.365 429 Y HA -0.144 4.567 4.550 0.268 0.000 0.293 429 Y C 2.546 178.447 175.900 0.003 0.000 1.119 429 Y CA 0.681 58.785 58.100 0.006 0.000 1.203 429 Y CB 0.384 38.863 38.460 0.031 0.000 1.026 429 Y HN 0.291 nan 8.280 nan 0.000 0.549 430 S N -0.539 115.239 115.700 0.129 0.000 2.501 430 S HA -0.058 4.573 4.470 0.268 0.000 0.220 430 S C 1.606 176.222 174.600 0.026 0.000 0.997 430 S CA 0.186 58.429 58.200 0.072 0.000 0.919 430 S CB -0.013 63.221 63.200 0.057 0.000 0.778 430 S HN 0.262 nan 8.310 nan 0.000 0.523 431 K N -0.070 120.296 120.400 -0.057 0.000 2.103 431 K HA 0.014 4.495 4.320 0.268 0.000 0.204 431 K C 1.372 177.916 176.600 -0.093 0.000 1.052 431 K CA 1.090 57.299 56.287 -0.130 0.000 0.945 431 K CB -0.214 32.123 32.500 -0.272 0.000 0.722 431 K HN 0.365 nan 8.250 nan 0.000 0.443 432 Y N 1.627 121.916 120.300 -0.020 0.000 2.373 432 Y HA -0.098 4.612 4.550 0.268 0.000 0.293 432 Y C 1.804 177.676 175.900 -0.048 0.000 1.129 432 Y CA 0.536 58.592 58.100 -0.075 0.000 1.226 432 Y CB -0.243 38.207 38.460 -0.018 0.000 1.000 432 Y HN 0.155 nan 8.280 nan 0.000 0.549 433 D N 0.211 120.693 120.400 0.137 0.000 2.144 433 D HA -0.167 4.633 4.640 0.268 0.000 0.199 433 D C 1.691 178.046 176.300 0.093 0.000 0.984 433 D CA 1.287 55.338 54.000 0.085 0.000 0.834 433 D CB -0.010 40.831 40.800 0.070 0.000 0.955 433 D HN 0.517 nan 8.370 nan 0.000 0.465 434 E N 0.104 120.358 120.200 0.091 0.000 2.153 434 E HA -0.095 4.416 4.350 0.268 0.000 0.194 434 E C 1.982 178.680 176.600 0.163 0.000 0.988 434 E CA 0.653 57.115 56.400 0.104 0.000 0.811 434 E CB -0.038 29.703 29.700 0.067 0.000 0.746 434 E HN 0.318 nan 8.360 nan 0.000 0.466 435 M N 0.185 119.845 119.600 0.100 0.000 2.595 435 M HA -0.013 4.628 4.480 0.268 0.000 0.248 435 M C 0.582 176.963 176.300 0.134 0.000 1.119 435 M CA 0.495 55.832 55.300 0.062 0.000 1.079 435 M CB 0.204 32.718 32.600 -0.143 0.000 1.472 435 M HN -0.005 nan 8.290 nan 0.000 0.501 436 S N 0.219 115.988 115.700 0.115 0.000 3.749 436 S HA -0.148 4.483 4.470 0.268 0.000 0.348 436 S C -0.101 174.503 174.600 0.007 0.000 1.045 436 S CA 0.096 58.339 58.200 0.072 0.000 1.051 436 S CB -3.067 60.198 63.200 0.107 0.000 0.898 436 S HN 0.557 nan 8.310 nan 0.000 0.472 437 I N 1.163 121.718 120.570 -0.026 0.000 2.556 437 I HA 0.118 4.449 4.170 0.268 0.000 0.284 437 I C 2.079 178.113 176.117 -0.138 0.000 1.114 437 I CA -0.555 60.697 61.300 -0.081 0.000 1.418 437 I CB 0.362 38.271 38.000 -0.150 0.000 1.394 437 I HN 0.283 nan 8.210 nan 0.000 0.552 438 L N 5.287 126.394 121.223 -0.193 0.000 1.976 438 L HA -0.088 4.413 4.340 0.268 0.000 0.209 438 L C 0.254 176.702 176.870 -0.703 0.000 1.071 438 L CA 1.772 56.336 54.840 -0.460 0.000 0.746 438 L CB -0.267 41.497 42.059 -0.491 0.000 0.890 438 L HN 0.403 nan 8.230 nan 0.000 0.432 439 F N -1.400 118.494 119.950 -0.093 0.000 2.561 439 F HA 0.339 5.026 4.527 0.268 0.000 0.321 439 F C -0.084 175.707 175.800 -0.015 0.000 1.065 439 F CA -0.812 57.168 58.000 -0.034 0.000 0.934 439 F CB 1.841 40.848 39.000 0.012 0.000 1.215 439 F HN -0.340 nan 8.300 nan 0.000 0.471 440 T N 1.539 116.229 114.554 0.227 0.000 3.150 440 T HA 0.416 4.927 4.350 0.268 0.000 0.383 440 T C -0.696 174.161 174.700 0.261 0.000 1.313 440 T CA -0.639 61.582 62.100 0.201 0.000 1.235 440 T CB 0.377 69.410 68.868 0.275 0.000 1.088 440 T HN 0.549 nan 8.240 nan 0.000 0.556 441 V N 2.520 122.568 119.914 0.223 0.000 2.498 441 V HA 0.673 4.954 4.120 0.268 0.000 0.279 441 V C -0.478 175.738 176.094 0.204 0.000 1.048 441 V CA -0.626 61.794 62.300 0.201 0.000 0.967 441 V CB 0.664 32.575 31.823 0.147 0.000 0.988 441 V HN 0.724 nan 8.190 nan 0.000 0.473 442 L N 5.752 127.098 121.223 0.204 0.000 2.287 442 L HA 0.539 5.039 4.340 0.268 0.000 0.287 442 L C -0.373 176.576 176.870 0.132 0.000 1.022 442 L CA -0.499 54.450 54.840 0.181 0.000 0.814 442 L CB 1.946 44.123 42.059 0.197 0.000 1.217 442 L HN 0.577 nan 8.230 nan 0.000 0.420 443 V N 2.889 122.862 119.914 0.099 0.000 2.294 443 V HA 0.396 4.677 4.120 0.268 0.000 0.272 443 V C 0.482 176.605 176.094 0.047 0.000 1.027 443 V CA -0.349 61.983 62.300 0.053 0.000 0.823 443 V CB 1.027 32.866 31.823 0.026 0.000 1.030 443 V HN 0.915 nan 8.190 nan 0.000 0.457 444 T N 0.711 115.293 114.554 0.046 0.000 2.819 444 T HA 0.437 4.948 4.350 0.268 0.000 0.271 444 T C 0.952 175.664 174.700 0.019 0.000 0.986 444 T CA -0.307 61.818 62.100 0.041 0.000 0.989 444 T CB 1.577 70.484 68.868 0.065 0.000 1.396 444 T HN 0.370 nan 8.240 nan 0.000 0.597 445 E N 0.718 120.929 120.200 0.019 0.000 2.072 445 E HA -0.102 4.408 4.350 0.268 0.000 0.191 445 E C 2.049 178.651 176.600 0.003 0.000 0.985 445 E CA 2.013 58.417 56.400 0.008 0.000 0.801 445 E CB -1.008 28.698 29.700 0.010 0.000 0.750 445 E HN 0.851 nan 8.360 nan 0.000 0.452 446 T N -2.964 111.600 114.554 0.017 0.000 3.219 446 T HA -0.047 4.464 4.350 0.268 0.000 0.264 446 T C 1.170 175.852 174.700 -0.030 0.000 1.178 446 T CA 1.354 63.461 62.100 0.012 0.000 1.057 446 T CB -0.278 68.626 68.868 0.060 0.000 0.919 446 T HN 0.058 nan 8.240 nan 0.000 0.545 447 T N -0.212 114.320 114.554 -0.037 0.000 3.010 447 T HA 0.364 4.874 4.350 0.268 0.000 0.252 447 T C 1.485 176.148 174.700 -0.061 0.000 0.963 447 T CA -0.314 61.741 62.100 -0.074 0.000 0.952 447 T CB -0.007 68.821 68.868 -0.066 0.000 1.182 447 T HN 0.240 nan 8.240 nan 0.000 0.495 448 L N 1.285 122.486 121.223 -0.036 0.000 2.109 448 L HA 0.077 4.577 4.340 0.268 0.000 0.207 448 L C 2.292 179.145 176.870 -0.027 0.000 1.086 448 L CA 1.471 56.294 54.840 -0.029 0.000 0.760 448 L CB -0.097 41.951 42.059 -0.019 0.000 0.910 448 L HN 0.264 nan 8.230 nan 0.000 0.437 449 E N -0.052 120.132 120.200 -0.026 0.000 2.150 449 E HA -0.185 4.326 4.350 0.268 0.000 0.193 449 E C 1.042 177.624 176.600 -0.029 0.000 0.985 449 E CA 1.554 57.940 56.400 -0.022 0.000 0.814 449 E CB 0.107 29.797 29.700 -0.017 0.000 0.752 449 E HN 0.760 nan 8.360 nan 0.000 0.466 450 N N -1.673 116.998 118.700 -0.048 0.000 3.326 450 N HA 0.146 5.047 4.740 0.268 0.000 0.234 450 N C 0.682 176.135 175.510 -0.095 0.000 1.050 450 N CA 0.376 53.390 53.050 -0.060 0.000 1.141 450 N CB 0.551 38.997 38.487 -0.069 0.000 1.551 450 N HN 0.042 nan 8.380 nan 0.000 0.630 451 G N -0.322 108.375 108.800 -0.172 0.000 3.231 451 G HA2 0.225 4.346 3.960 0.268 0.000 0.232 451 G HA3 0.225 4.346 3.960 0.268 0.000 0.232 451 G C -1.680 172.910 174.900 -0.517 0.000 2.928 451 G CA -0.534 44.396 45.100 -0.283 0.000 0.879 451 G HN 0.144 nan 8.290 nan 0.000 0.424 452 L N 1.840 122.865 121.223 -0.330 0.000 2.518 452 L HA 0.492 4.993 4.340 0.268 0.000 0.262 452 L C 0.538 177.227 176.870 -0.302 0.000 0.982 452 L CA -0.819 53.815 54.840 -0.344 0.000 0.873 452 L CB 0.690 42.564 42.059 -0.309 0.000 1.198 452 L HN 0.401 nan 8.230 nan 0.000 0.427 453 I N -0.390 120.035 120.570 -0.242 0.000 3.432 453 I HA 0.480 4.811 4.170 0.268 0.000 0.291 453 I C 0.111 176.049 176.117 -0.299 0.000 1.127 453 I CA 0.059 61.253 61.300 -0.177 0.000 0.962 453 I CB 0.388 38.356 38.000 -0.054 0.000 1.550 453 I HN 0.320 nan 8.210 nan 0.000 0.736 454 H N 2.073 121.161 119.070 0.029 0.000 3.092 454 H HA 0.500 5.217 4.556 0.268 0.000 0.308 454 H C -1.191 174.189 175.328 0.086 0.000 1.047 454 H CA -0.710 55.366 56.048 0.048 0.000 1.466 454 H CB 1.358 31.156 29.762 0.060 0.000 1.597 454 H HN 0.622 nan 8.280 nan 0.000 0.512 455 L N 0.466 121.806 121.223 0.194 0.000 2.375 455 L HA 0.659 5.160 4.340 0.268 0.000 0.268 455 L C 0.698 177.684 176.870 0.193 0.000 1.058 455 L CA -0.567 54.385 54.840 0.186 0.000 0.803 455 L CB 1.180 43.311 42.059 0.120 0.000 1.212 455 L HN 0.364 nan 8.230 nan 0.000 0.451 456 R N 0.339 120.954 120.500 0.191 0.000 3.237 456 R HA 0.817 5.318 4.340 0.268 0.000 0.193 456 R C -0.589 175.789 176.300 0.129 0.000 1.551 456 R CA -0.101 56.040 56.100 0.068 0.000 0.855 456 R CB 1.071 31.261 30.300 -0.184 0.000 2.062 456 R HN 0.885 nan 8.270 nan 0.000 0.507 457 S N -1.916 113.759 115.700 -0.040 0.000 2.655 457 S HA 0.320 4.950 4.470 0.268 0.000 0.266 457 S C -0.474 174.017 174.600 -0.182 0.000 1.149 457 S CA -0.673 57.470 58.200 -0.094 0.000 0.818 457 S CB 1.563 64.765 63.200 0.003 0.000 1.130 457 S HN 0.616 nan 8.310 nan 0.000 0.476 458 R N -0.047 120.318 120.500 -0.225 0.000 2.197 458 R HA 0.214 4.715 4.340 0.268 0.000 0.188 458 R C 0.641 176.879 176.300 -0.103 0.000 1.015 458 R CA 0.515 56.518 56.100 -0.161 0.000 1.132 458 R CB -0.428 29.756 30.300 -0.194 0.000 1.134 458 R HN 0.680 nan 8.270 nan 0.000 0.560 459 D N 0.666 121.005 120.400 -0.102 0.000 2.096 459 D HA -0.120 4.681 4.640 0.268 0.000 0.214 459 D C 1.505 177.794 176.300 -0.018 0.000 0.974 459 D CA 2.202 56.177 54.000 -0.041 0.000 0.890 459 D CB -0.629 40.163 40.800 -0.012 0.000 1.016 459 D HN 0.318 nan 8.370 nan 0.000 0.447 460 T N -1.279 113.281 114.554 0.010 0.000 3.155 460 T HA -0.088 4.423 4.350 0.268 0.000 0.264 460 T C 1.230 175.935 174.700 0.007 0.000 1.160 460 T CA 1.371 63.485 62.100 0.023 0.000 1.075 460 T CB -0.589 68.316 68.868 0.061 0.000 0.921 460 T HN 0.192 nan 8.240 nan 0.000 0.533 461 T N 1.359 115.900 114.554 -0.021 0.000 4.526 461 T HA -0.323 4.188 4.350 0.268 0.000 0.332 461 T C 0.452 175.134 174.700 -0.029 0.000 0.846 461 T CA 1.302 63.374 62.100 -0.046 0.000 1.955 461 T CB -2.103 66.740 68.868 -0.043 0.000 2.056 461 T HN 0.923 nan 8.240 nan 0.000 0.866 462 M N -0.650 118.957 119.600 0.012 0.000 1.896 462 M HA 0.283 4.924 4.480 0.268 0.000 0.195 462 M C 0.088 176.407 176.300 0.030 0.000 1.281 462 M CA 0.655 55.976 55.300 0.035 0.000 0.880 462 M CB 0.228 32.874 32.600 0.077 0.000 1.181 462 M HN 0.199 nan 8.290 nan 0.000 0.349 463 K N 0.972 121.399 120.400 0.046 0.000 2.713 463 K HA 0.171 4.652 4.320 0.268 0.000 0.304 463 K C -1.630 175.009 176.600 0.066 0.000 1.240 463 K CA -0.255 56.066 56.287 0.056 0.000 1.080 463 K CB 1.121 33.639 32.500 0.031 0.000 1.387 463 K HN 0.807 nan 8.250 nan 0.000 0.527 464 E N 2.692 122.940 120.200 0.080 0.000 2.390 464 E HA 0.552 5.063 4.350 0.268 0.000 0.249 464 E C -0.537 176.133 176.600 0.118 0.000 0.981 464 E CA -1.115 55.326 56.400 0.069 0.000 0.860 464 E CB 1.403 31.106 29.700 0.005 0.000 1.278 464 E HN 0.145 nan 8.360 nan 0.000 0.416 465 M N 1.060 120.695 119.600 0.059 0.000 2.209 465 M HA 0.414 5.055 4.480 0.268 0.000 0.355 465 M C -0.778 175.475 176.300 -0.079 0.000 1.171 465 M CA -0.692 54.607 55.300 -0.002 0.000 1.069 465 M CB 1.405 34.007 32.600 0.004 0.000 1.622 465 M HN 0.581 nan 8.290 nan 0.000 0.459 466 M N 2.754 122.279 119.600 -0.125 0.000 2.324 466 M HA 0.334 4.975 4.480 0.268 0.000 0.288 466 M C -1.166 175.090 176.300 -0.074 0.000 1.097 466 M CA -0.392 54.845 55.300 -0.105 0.000 0.928 466 M CB 1.566 34.081 32.600 -0.142 0.000 1.648 466 M HN 0.555 nan 8.290 nan 0.000 0.460 467 H N 4.570 123.580 119.070 -0.099 0.000 2.929 467 H HA 0.180 4.897 4.556 0.268 0.000 0.317 467 H C 0.781 176.073 175.328 -0.061 0.000 1.031 467 H CA 0.856 56.859 56.048 -0.075 0.000 1.466 467 H CB 0.878 30.607 29.762 -0.054 0.000 1.482 467 H HN 0.953 nan 8.280 nan 0.000 0.561 468 I N 3.480 124.104 120.570 0.090 0.000 3.330 468 I HA -0.200 4.131 4.170 0.268 0.000 0.298 468 I C 1.129 177.329 176.117 0.139 0.000 1.317 468 I CA 0.975 62.325 61.300 0.082 0.000 1.334 468 I CB -0.081 37.934 38.000 0.026 0.000 1.031 468 I HN 0.318 nan 8.210 nan 0.000 0.547 469 S N -0.200 115.625 115.700 0.209 0.000 2.666 469 S HA 0.219 4.850 4.470 0.268 0.000 0.239 469 S C 1.049 175.652 174.600 0.005 0.000 1.031 469 S CA -0.349 57.888 58.200 0.062 0.000 1.015 469 S CB 0.171 63.344 63.200 -0.045 0.000 0.981 469 S HN 0.401 nan 8.310 nan 0.000 0.547 470 K N 0.868 121.288 120.400 0.034 0.000 2.564 470 K HA 0.295 4.776 4.320 0.268 0.000 0.205 470 K C 0.561 177.195 176.600 0.057 0.000 1.053 470 K CA -0.046 56.255 56.287 0.024 0.000 1.072 470 K CB 0.704 33.206 32.500 0.002 0.000 0.822 470 K HN 0.199 nan 8.250 nan 0.000 0.497 471 L N 1.457 122.717 121.223 0.060 0.000 2.145 471 L HA -0.056 4.445 4.340 0.268 0.000 0.201 471 L C 1.973 178.908 176.870 0.107 0.000 1.075 471 L CA 1.787 56.676 54.840 0.082 0.000 0.773 471 L CB 0.024 42.111 42.059 0.047 0.000 0.936 471 L HN -0.006 nan 8.230 nan 0.000 0.451 472 K N -0.938 119.500 120.400 0.063 0.000 2.057 472 K HA -0.181 4.300 4.320 0.268 0.000 0.206 472 K C 1.921 178.546 176.600 0.041 0.000 1.050 472 K CA 1.784 58.094 56.287 0.038 0.000 0.935 472 K CB -1.221 31.295 32.500 0.026 0.000 0.715 472 K HN 0.361 nan 8.250 nan 0.000 0.439 473 D N 0.194 120.630 120.400 0.059 0.000 2.092 473 D HA -0.227 4.573 4.640 0.268 0.000 0.193 473 D C 1.773 178.132 176.300 0.097 0.000 0.994 473 D CA 1.309 55.346 54.000 0.062 0.000 0.828 473 D CB -0.169 40.667 40.800 0.059 0.000 0.963 473 D HN 0.250 nan 8.370 nan 0.000 0.450 474 F N 1.725 121.659 119.950 -0.026 0.000 2.025 474 F HA -0.203 4.485 4.527 0.269 0.000 0.297 474 F C 2.409 178.213 175.800 0.006 0.000 1.132 474 F CA 1.447 59.432 58.000 -0.026 0.000 1.191 474 F CB -0.943 37.999 39.000 -0.096 0.000 0.963 474 F HN -0.049 nan 8.300 nan 0.000 0.481 475 L N 0.350 121.382 121.223 -0.318 0.000 1.997 475 L HA -0.310 4.191 4.340 0.268 0.000 0.216 475 L C 2.574 179.342 176.870 -0.171 0.000 1.074 475 L CA 2.051 56.665 54.840 -0.377 0.000 0.763 475 L CB -0.898 41.073 42.059 -0.147 0.000 0.890 475 L HN 0.253 nan 8.230 nan 0.000 0.434 476 I N -0.891 119.637 120.570 -0.070 0.000 2.756 476 I HA -0.196 4.134 4.170 0.268 0.000 0.262 476 I C 2.321 178.436 176.117 -0.003 0.000 1.225 476 I CA 0.718 62.010 61.300 -0.014 0.000 1.472 476 I CB -0.207 37.797 38.000 0.006 0.000 1.094 476 I HN 0.220 nan 8.210 nan 0.000 0.454 477 K N -0.229 120.154 120.400 -0.029 0.000 2.242 477 K HA -0.045 4.436 4.320 0.268 0.000 0.200 477 K C 1.885 178.469 176.600 -0.026 0.000 1.050 477 K CA 0.726 57.008 56.287 -0.008 0.000 0.981 477 K CB -0.226 32.290 32.500 0.027 0.000 0.795 477 K HN 0.211 nan 8.250 nan 0.000 0.477 478 Y N 1.779 121.919 120.300 -0.267 0.000 2.200 478 Y HA -0.095 4.615 4.550 0.268 0.000 0.290 478 Y C 1.865 177.703 175.900 -0.103 0.000 1.137 478 Y CA 1.360 59.307 58.100 -0.254 0.000 1.163 478 Y CB -0.114 38.045 38.460 -0.501 0.000 0.988 478 Y HN -0.107 nan 8.280 nan 0.000 0.518 479 I N -1.582 119.116 120.570 0.213 0.000 2.333 479 I HA -0.179 4.152 4.170 0.268 0.000 0.246 479 I C 2.206 178.390 176.117 0.112 0.000 1.106 479 I CA 1.306 62.719 61.300 0.189 0.000 1.411 479 I CB -0.600 37.481 38.000 0.135 0.000 1.082 479 I HN 0.039 nan 8.210 nan 0.000 0.420 480 S N -0.130 115.611 115.700 0.069 0.000 2.881 480 S HA 0.027 4.658 4.470 0.268 0.000 0.228 480 S C 1.341 175.959 174.600 0.029 0.000 0.965 480 S CA 0.521 58.754 58.200 0.053 0.000 0.998 480 S CB -0.240 62.984 63.200 0.041 0.000 0.795 480 S HN 0.333 nan 8.310 nan 0.000 0.518 481 S N 0.199 115.907 115.700 0.015 0.000 3.597 481 S HA 0.375 5.006 4.470 0.268 0.000 0.206 481 S C 2.021 176.605 174.600 -0.027 0.000 0.948 481 S CA 0.210 58.392 58.200 -0.029 0.000 0.863 481 S CB -0.872 62.275 63.200 -0.088 0.000 1.015 481 S HN 0.502 nan 8.310 nan 0.000 0.616 482 A N 2.206 124.992 122.820 -0.058 0.000 2.042 482 A HA -0.202 4.279 4.320 0.268 0.000 0.222 482 A C 1.915 179.581 177.584 0.137 0.000 1.167 482 A CA 1.798 53.822 52.037 -0.023 0.000 0.649 482 A CB -0.535 18.409 19.000 -0.094 0.000 0.809 482 A HN 0.323 nan 8.150 nan 0.000 0.457 483 K N -0.001 120.491 120.400 0.153 0.000 2.025 483 K HA -0.103 4.378 4.320 0.268 0.000 0.207 483 K C -0.307 176.308 176.600 0.024 0.000 1.049 483 K CA 1.229 57.606 56.287 0.149 0.000 0.933 483 K CB -0.262 32.336 32.500 0.164 0.000 0.714 483 K HN 0.465 nan 8.250 nan 0.000 0.438 484 N N 0.722 119.432 118.700 0.017 0.000 3.322 484 N HA 0.146 5.047 4.740 0.268 0.000 0.290 484 N C -1.047 174.437 175.510 -0.042 0.000 1.297 484 N CA -0.141 52.901 53.050 -0.014 0.000 1.167 484 N CB 0.972 39.461 38.487 0.004 0.000 1.434 484 N HN -0.135 nan 8.380 nan 0.000 0.526 485 V N 0.000 119.870 119.914 -0.073 0.000 2.409 485 V HA 0.000 4.281 4.120 0.268 0.000 0.244 485 V CA 0.000 62.253 62.300 -0.078 0.000 1.235 485 V CB 0.000 31.786 31.823 -0.061 0.000 1.184 485 V HN 0.000 nan 8.190 nan 0.000 0.556