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 1m9t_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XXCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.186 176.000 0.310 0.000 1.003 77 Q CA 0.000 55.863 55.803 0.100 0.000 1.022 77 Q CB 0.000 28.695 28.738 -0.072 0.000 1.108 78 Y N -2.844 117.532 120.300 0.128 0.000 2.687 78 Y HA 0.692 5.242 4.550 0.000 0.000 0.338 78 Y C -1.096 174.800 175.900 -0.006 0.000 1.189 78 Y CA -1.516 56.644 58.100 0.101 0.000 1.097 78 Y CB 0.881 39.361 38.460 0.034 0.000 1.342 78 Y HN 0.384 nan 8.280 nan 0.000 0.461 79 V N 3.230 123.234 119.914 0.151 0.000 2.394 79 V HA 0.497 4.617 4.120 0.000 0.000 0.282 79 V C 0.128 176.332 176.094 0.183 0.000 1.031 79 V CA -0.752 61.541 62.300 -0.011 0.000 0.881 79 V CB 1.282 32.935 31.823 -0.283 0.000 0.982 79 V HN 0.806 nan 8.190 nan 0.000 0.451 80 R N 4.756 125.348 120.500 0.154 0.000 2.389 80 R HA 0.413 4.753 4.340 0.000 0.000 0.295 80 R C -1.082 175.289 176.300 0.118 0.000 1.075 80 R CA -0.316 55.914 56.100 0.216 0.000 1.005 80 R CB 0.448 30.847 30.300 0.166 0.000 0.987 80 R HN 0.521 nan 8.270 nan 0.000 0.452 81 I N 4.304 124.932 120.570 0.097 0.000 2.465 81 I HA 0.319 4.489 4.170 0.000 0.000 0.291 81 I C -0.379 175.709 176.117 -0.047 0.000 1.014 81 I CA -0.576 60.741 61.300 0.027 0.000 1.093 81 I CB 1.707 39.706 38.000 -0.000 0.000 1.267 81 I HN 0.656 nan 8.210 nan 0.000 0.431 82 K N 4.632 125.000 120.400 -0.053 0.000 2.316 82 K HA 0.419 4.739 4.320 0.000 0.000 0.251 82 K C -0.885 175.627 176.600 -0.148 0.000 0.934 82 K CA -0.619 55.551 56.287 -0.196 0.000 0.802 82 K CB 2.047 34.292 32.500 -0.425 0.000 1.171 82 K HN 0.601 nan 8.250 nan 0.000 0.426 83 N N 3.216 121.818 118.700 -0.163 0.000 2.437 83 N HA 0.197 4.937 4.740 0.000 0.000 0.259 83 N C -0.357 175.127 175.510 -0.043 0.000 0.983 83 N CA -0.655 52.403 53.050 0.013 0.000 0.937 83 N CB 0.546 39.049 38.487 0.028 0.000 1.122 83 N HN 0.573 nan 8.380 nan 0.000 0.499 84 W N 2.252 123.635 121.300 0.138 0.000 2.937 84 W HA 0.239 4.899 4.660 0.000 0.000 0.245 84 W C 1.937 178.498 176.519 0.070 0.000 1.306 84 W CA -0.014 57.403 57.345 0.121 0.000 1.470 84 W CB 0.167 29.728 29.460 0.168 0.000 1.132 84 W HN 0.685 nan 8.180 nan 0.000 0.675 85 G N -0.175 108.758 108.800 0.222 0.000 2.417 85 G HA2 -0.174 3.786 3.960 0.000 0.000 0.212 85 G HA3 -0.174 3.786 3.960 0.000 0.000 0.212 85 G C 1.561 176.466 174.900 0.008 0.000 1.187 85 G CA 1.191 46.295 45.100 0.006 0.000 0.804 85 G HN 0.248 nan 8.290 nan 0.000 0.534 86 S N -0.928 114.783 115.700 0.018 0.000 2.503 86 S HA 0.372 4.842 4.470 0.000 0.000 0.217 86 S C 1.930 176.505 174.600 -0.042 0.000 0.999 86 S CA 1.059 59.252 58.200 -0.012 0.000 0.914 86 S CB 0.266 63.460 63.200 -0.010 0.000 0.782 86 S HN 1.568 nan 8.310 nan 0.000 0.520 87 G N 1.244 110.002 108.800 -0.070 0.000 2.199 87 G HA2 -0.236 3.724 3.960 0.000 0.000 0.254 87 G HA3 -0.236 3.724 3.960 0.000 0.000 0.254 87 G C -0.118 174.687 174.900 -0.159 0.000 0.982 87 G CA 0.161 45.179 45.100 -0.136 0.000 0.632 87 G HN 0.553 nan 8.290 nan 0.000 0.529 88 E N 0.557 120.681 120.200 -0.126 0.000 2.437 88 E HA 0.321 4.671 4.350 0.000 0.000 0.263 88 E C 0.594 177.089 176.600 -0.175 0.000 1.030 88 E CA 0.261 56.579 56.400 -0.137 0.000 0.934 88 E CB 0.989 30.617 29.700 -0.118 0.000 0.943 88 E HN 0.336 nan 8.360 nan 0.000 0.444 89 I N 2.510 122.971 120.570 -0.182 0.000 2.646 89 I HA 0.415 4.585 4.170 0.000 0.000 0.299 89 I C 0.097 176.060 176.117 -0.256 0.000 1.036 89 I CA -0.711 60.477 61.300 -0.185 0.000 1.074 89 I CB 1.230 39.151 38.000 -0.133 0.000 1.258 89 I HN 0.310 nan 8.210 nan 0.000 0.430 90 L N 4.471 125.548 121.223 -0.244 0.000 2.409 90 L HA 0.457 4.797 4.340 0.000 0.000 0.262 90 L C -0.744 176.095 176.870 -0.053 0.000 0.992 90 L CA -0.668 53.968 54.840 -0.340 0.000 0.817 90 L CB 2.622 44.254 42.059 -0.712 0.000 1.350 90 L HN 0.535 nan 8.230 nan 0.000 0.411 91 H N 1.135 120.147 119.070 -0.095 0.000 2.638 91 H HA 0.160 4.716 4.556 0.000 0.000 0.303 91 H C -1.073 174.351 175.328 0.161 0.000 1.034 91 H CA -0.772 55.221 56.048 -0.092 0.000 1.225 91 H CB 1.661 31.069 29.762 -0.590 0.000 1.394 91 H HN 0.404 nan 8.280 nan 0.000 0.477 92 D N 2.845 123.478 120.400 0.387 0.000 2.339 92 D HA -0.004 4.636 4.640 0.000 0.000 0.241 92 D C 0.960 177.415 176.300 0.258 0.000 1.183 92 D CA 0.082 54.275 54.000 0.322 0.000 0.859 92 D CB 1.203 42.139 40.800 0.228 0.000 1.067 92 D HN 0.696 nan 8.370 nan 0.000 0.484 93 T N 0.932 115.599 114.554 0.188 0.000 2.969 93 T HA -0.044 4.306 4.350 0.000 0.000 0.250 93 T C 1.852 176.531 174.700 -0.035 0.000 1.021 93 T CA -0.260 61.920 62.100 0.134 0.000 1.003 93 T CB 0.013 68.968 68.868 0.145 0.000 1.040 93 T HN 0.238 nan 8.240 nan 0.000 0.492 94 L N 3.191 124.397 121.223 -0.028 0.000 2.187 94 L HA -0.087 4.253 4.340 0.000 0.000 0.213 94 L C 2.514 179.220 176.870 -0.273 0.000 1.100 94 L CA 1.911 56.700 54.840 -0.085 0.000 0.765 94 L CB -0.902 41.145 42.059 -0.020 0.000 0.904 94 L HN 0.591 nan 8.230 nan 0.000 0.437 95 H N -2.485 116.171 119.070 -0.691 0.000 2.543 95 H HA -0.170 4.386 4.556 0.000 0.000 0.286 95 H C 1.631 176.640 175.328 -0.532 0.000 1.037 95 H CA 1.794 57.157 56.048 -1.142 0.000 1.250 95 H CB -1.113 27.972 29.762 -1.129 0.000 1.373 95 H HN 0.597 nan 8.280 nan 0.000 0.580 96 H N 1.047 119.634 119.070 -0.805 0.000 2.491 96 H HA 0.053 4.609 4.556 0.000 0.000 0.290 96 H C 1.402 176.570 175.328 -0.266 0.000 1.050 96 H CA 0.752 56.481 56.048 -0.531 0.000 1.309 96 H CB 0.395 29.906 29.762 -0.418 0.000 1.392 96 H HN 0.363 nan 8.280 nan 0.000 0.554 97 K N 0.673 121.013 120.400 -0.101 0.000 2.417 97 K HA 0.227 4.547 4.320 0.000 0.000 0.196 97 K C 0.516 177.104 176.600 -0.019 0.000 1.023 97 K CA -0.165 56.102 56.287 -0.034 0.000 1.122 97 K CB 0.794 33.289 32.500 -0.008 0.000 0.850 97 K HN 0.127 nan 8.250 nan 0.000 0.521 98 A N 1.515 124.303 122.820 -0.053 0.000 2.466 98 A HA 0.030 4.350 4.320 0.000 0.000 0.238 98 A C 1.612 179.192 177.584 -0.007 0.000 1.074 98 A CA 0.223 52.258 52.037 -0.004 0.000 0.774 98 A CB 0.224 19.217 19.000 -0.010 0.000 1.015 98 A HN 0.380 nan 8.150 nan 0.000 0.498 99 T N 0.281 114.824 114.554 -0.018 0.000 2.612 99 T HA -0.032 4.318 4.350 0.000 0.000 0.259 99 T C 1.261 175.961 174.700 0.001 0.000 1.065 99 T CA 1.498 63.590 62.100 -0.014 0.000 1.167 99 T CB -0.661 68.183 68.868 -0.041 0.000 0.863 99 T HN 0.513 nan 8.240 nan 0.000 0.407 110 L N 6.585 127.827 121.223 0.032 0.000 2.597 110 L HA 0.243 4.583 4.340 0.000 0.000 0.261 110 L C 1.749 178.650 176.870 0.051 0.000 1.389 110 L CA 1.590 56.455 54.840 0.043 0.000 1.203 110 L CB -0.876 41.212 42.059 0.048 0.000 1.401 110 L HN 0.967 nan 8.230 nan 0.000 0.443 111 G N 1.114 109.940 108.800 0.044 0.000 2.910 111 G HA2 -0.228 3.732 3.960 0.000 0.000 0.206 111 G HA3 -0.228 3.732 3.960 0.000 0.000 0.206 111 G C 0.896 175.843 174.900 0.079 0.000 1.406 111 G CA 0.726 45.854 45.100 0.048 0.000 0.816 111 G HN 0.584 nan 8.290 nan 0.000 0.669 112 S N 0.398 116.149 115.700 0.085 0.000 2.489 112 S HA 0.484 4.954 4.470 0.000 0.000 0.237 112 S C 0.111 174.789 174.600 0.131 0.000 1.220 112 S CA -0.767 57.505 58.200 0.121 0.000 1.231 112 S CB 0.122 63.384 63.200 0.104 0.000 0.900 112 S HN 0.158 nan 8.310 nan 0.000 0.492 113 I N 2.278 122.923 120.570 0.125 0.000 2.471 113 I HA 0.194 4.364 4.170 0.000 0.000 0.286 113 I C 1.419 177.638 176.117 0.171 0.000 1.079 113 I CA -0.252 61.120 61.300 0.121 0.000 1.398 113 I CB 0.652 38.708 38.000 0.093 0.000 1.403 113 I HN 0.420 nan 8.210 nan 0.000 0.530 114 M N 6.159 125.858 119.600 0.165 0.000 2.064 114 M HA -0.067 4.413 4.480 0.000 0.000 0.260 114 M C 0.588 176.982 176.300 0.157 0.000 1.073 114 M CA 1.947 57.377 55.300 0.217 0.000 1.124 114 M CB 0.026 32.715 32.600 0.149 0.000 1.326 114 M HN 0.484 nan 8.290 nan 0.000 0.410 115 N N 1.320 120.058 118.700 0.063 0.000 2.904 115 N HA 0.356 5.096 4.740 0.000 0.000 0.257 115 N C -2.613 172.949 175.510 0.087 0.000 1.363 115 N CA -0.891 52.168 53.050 0.015 0.000 0.856 115 N CB 0.502 38.894 38.487 -0.158 0.000 1.166 115 N HN 0.324 nan 8.380 nan 0.000 0.499 116 P HA 0.235 nan 4.420 nan 0.000 0.276 116 P C 0.568 177.945 177.300 0.129 0.000 1.244 116 P CA -0.364 62.803 63.100 0.112 0.000 0.801 116 P CB 2.031 33.795 31.700 0.106 0.000 1.006 117 K N 0.388 120.843 120.400 0.091 0.000 2.147 117 K HA -0.097 4.223 4.320 0.000 0.000 0.205 117 K C 2.047 178.710 176.600 0.106 0.000 1.049 117 K CA 1.863 58.201 56.287 0.086 0.000 0.936 117 K CB -0.369 32.161 32.500 0.049 0.000 0.722 117 K HN 0.540 nan 8.250 nan 0.000 0.446 118 S N 0.933 116.691 115.700 0.096 0.000 2.442 118 S HA -0.092 4.378 4.470 0.000 0.000 0.236 118 S C 1.615 176.300 174.600 0.140 0.000 1.007 118 S CA 0.889 59.142 58.200 0.088 0.000 0.965 118 S CB -0.235 62.993 63.200 0.048 0.000 0.773 118 S HN 0.235 nan 8.310 nan 0.000 0.504 119 L N 0.948 122.287 121.223 0.193 0.000 2.728 119 L HA 0.290 4.630 4.340 0.000 0.000 0.238 119 L C -0.186 176.935 176.870 0.418 0.000 1.143 119 L CA -0.055 54.931 54.840 0.244 0.000 0.937 119 L CB 0.261 42.401 42.059 0.134 0.000 1.225 119 L HN 0.170 nan 8.230 nan 0.000 0.507 120 T N 0.106 114.882 114.554 0.371 0.000 2.807 120 T HA 0.416 4.766 4.350 0.000 0.000 0.279 120 T C -0.431 174.345 174.700 0.126 0.000 0.993 120 T CA -0.443 61.836 62.100 0.299 0.000 0.970 120 T CB 2.191 71.174 68.868 0.192 0.000 0.950 120 T HN -0.085 nan 8.240 nan 0.000 0.441 121 R N 2.184 122.710 120.500 0.044 0.000 2.272 121 R HA 0.597 4.937 4.340 0.000 0.000 0.323 121 R C 0.543 176.800 176.300 -0.073 0.000 1.002 121 R CA -0.408 55.588 56.100 -0.174 0.000 0.900 121 R CB 0.136 30.183 30.300 -0.422 0.000 1.151 121 R HN 0.816 nan 8.270 nan 0.000 0.507 122 G N 3.601 112.358 108.800 -0.072 0.000 2.553 122 G HA2 0.311 4.271 3.960 0.000 0.000 0.278 122 G HA3 0.311 4.271 3.960 0.000 0.000 0.278 122 G C -1.980 172.880 174.900 -0.066 0.000 1.349 122 G CA -0.875 44.188 45.100 -0.062 0.000 1.037 122 G HN 0.598 nan 8.290 nan 0.000 0.508 123 P HA 0.370 nan 4.420 nan 0.000 0.276 123 P C -0.772 176.498 177.300 -0.051 0.000 1.261 123 P CA -0.288 62.777 63.100 -0.060 0.000 0.800 123 P CB 1.249 32.908 31.700 -0.070 0.000 1.066 124 R N -0.047 120.427 120.500 -0.044 0.000 2.707 124 R HA 0.248 4.588 4.340 0.000 0.000 0.272 124 R C -0.397 175.882 176.300 -0.035 0.000 1.011 124 R CA -0.485 55.594 56.100 -0.036 0.000 0.893 124 R CB 1.514 31.795 30.300 -0.030 0.000 1.233 124 R HN 0.452 nan 8.270 nan 0.000 0.464 125 D N -0.216 120.166 120.400 -0.030 0.000 2.500 125 D HA 0.153 4.793 4.640 0.000 0.000 0.217 125 D C -0.322 175.969 176.300 -0.015 0.000 1.159 125 D CA 0.026 54.007 54.000 -0.031 0.000 0.828 125 D CB 0.691 41.471 40.800 -0.034 0.000 1.039 125 D HN 0.170 nan 8.370 nan 0.000 0.512 126 K N 0.140 120.535 120.400 -0.008 0.000 2.508 126 K HA 0.521 4.841 4.320 0.000 0.000 0.260 126 K C -2.906 173.697 176.600 0.005 0.000 0.949 126 K CA -1.994 54.294 56.287 0.002 0.000 0.834 126 K CB 2.370 34.869 32.500 -0.000 0.000 1.365 126 K HN -0.201 nan 8.250 nan 0.000 0.437 127 P HA 0.023 nan 4.420 nan 0.000 0.271 127 P C -0.758 176.547 177.300 0.008 0.000 1.233 127 P CA -0.198 62.910 63.100 0.013 0.000 0.789 127 P CB 0.360 32.072 31.700 0.019 0.000 0.951 128 T N 3.275 117.835 114.554 0.009 0.000 2.834 128 T HA 0.181 4.531 4.350 0.000 0.000 0.298 128 T C -2.097 172.615 174.700 0.020 0.000 0.966 128 T CA -0.668 61.441 62.100 0.015 0.000 1.141 128 T CB -0.552 68.332 68.868 0.026 0.000 0.905 128 T HN 0.289 nan 8.240 nan 0.000 0.535 129 P HA 0.061 nan 4.420 nan 0.000 0.262 129 P C 0.663 177.967 177.300 0.006 0.000 1.182 129 P CA -0.288 62.816 63.100 0.007 0.000 0.761 129 P CB 0.440 32.139 31.700 -0.001 0.000 0.795 130 L N 3.351 124.577 121.223 0.005 0.000 2.079 130 L HA -0.211 4.129 4.340 0.000 0.000 0.210 130 L C 2.310 179.171 176.870 -0.016 0.000 1.081 130 L CA 1.777 56.619 54.840 0.003 0.000 0.752 130 L CB -1.112 40.949 42.059 0.004 0.000 0.896 130 L HN 0.511 nan 8.230 nan 0.000 0.433 131 E N -0.284 119.902 120.200 -0.025 0.000 2.265 131 E HA -0.227 4.123 4.350 0.000 0.000 0.196 131 E C 1.561 178.115 176.600 -0.077 0.000 0.996 131 E CA 1.345 57.719 56.400 -0.043 0.000 0.832 131 E CB -0.241 29.438 29.700 -0.036 0.000 0.756 131 E HN 0.633 nan 8.360 nan 0.000 0.491 132 E N 0.317 120.473 120.200 -0.073 0.000 2.099 132 E HA -0.006 4.344 4.350 0.000 0.000 0.191 132 E C 2.154 178.667 176.600 -0.144 0.000 0.962 132 E CA 0.307 56.626 56.400 -0.136 0.000 0.826 132 E CB -0.116 29.556 29.700 -0.047 0.000 0.788 132 E HN 0.091 nan 8.360 nan 0.000 0.461 133 L N 1.552 122.772 121.223 -0.006 0.000 1.990 133 L HA -0.199 4.141 4.340 0.000 0.000 0.213 133 L C 2.257 179.160 176.870 0.055 0.000 1.072 133 L CA 1.452 56.339 54.840 0.079 0.000 0.755 133 L CB -0.566 41.553 42.059 0.099 0.000 0.889 133 L HN 0.131 nan 8.230 nan 0.000 0.432 134 L N -0.054 121.164 121.223 -0.009 0.000 2.012 134 L HA -0.112 4.228 4.340 0.000 0.000 0.210 134 L C -0.422 176.430 176.870 -0.030 0.000 1.073 134 L CA 2.149 56.970 54.840 -0.033 0.000 0.748 134 L CB -1.849 40.185 42.059 -0.042 0.000 0.891 134 L HN 0.195 nan 8.230 nan 0.000 0.431 135 P HA -0.140 nan 4.420 nan 0.000 0.216 135 P C 1.265 178.592 177.300 0.045 0.000 1.153 135 P CA 1.471 64.534 63.100 -0.061 0.000 0.848 135 P CB -0.165 31.438 31.700 -0.162 0.000 0.787 136 H N -0.622 118.489 119.070 0.068 0.000 2.353 136 H HA 0.002 4.558 4.556 0.000 0.000 0.300 136 H C 1.957 177.385 175.328 0.167 0.000 1.090 136 H CA 1.454 57.567 56.048 0.110 0.000 1.327 136 H CB -1.087 28.735 29.762 0.100 0.000 1.383 136 H HN 0.039 nan 8.280 nan 0.000 0.508 137 A N 1.418 124.387 122.820 0.249 0.000 1.858 137 A HA -0.123 4.197 4.320 0.000 0.000 0.216 137 A C 2.442 180.118 177.584 0.153 0.000 1.190 137 A CA 1.388 53.522 52.037 0.162 0.000 0.617 137 A CB -0.540 18.318 19.000 -0.237 0.000 0.827 137 A HN 0.197 nan 8.150 nan 0.000 0.443 138 I N 0.099 120.716 120.570 0.077 0.000 2.208 138 I HA -0.215 3.955 4.170 0.000 0.000 0.245 138 I C 2.432 178.634 176.117 0.141 0.000 1.097 138 I CA 2.027 63.376 61.300 0.082 0.000 1.363 138 I CB -1.433 36.592 38.000 0.042 0.000 1.051 138 I HN 0.417 nan 8.210 nan 0.000 0.413 139 E N 0.910 121.213 120.200 0.172 0.000 2.110 139 E HA -0.256 4.094 4.350 0.000 0.000 0.193 139 E C 2.105 178.839 176.600 0.223 0.000 0.988 139 E CA 1.232 57.742 56.400 0.182 0.000 0.804 139 E CB -0.523 29.295 29.700 0.198 0.000 0.745 139 E HN 0.397 nan 8.360 nan 0.000 0.458 140 F N 0.383 120.427 119.950 0.157 0.000 2.163 140 F HA -0.060 4.467 4.527 0.000 0.000 0.297 140 F C 1.797 177.702 175.800 0.175 0.000 1.094 140 F CA 0.937 59.045 58.000 0.181 0.000 1.290 140 F CB -0.172 38.958 39.000 0.217 0.000 1.017 140 F HN 0.008 nan 8.300 nan 0.000 0.483 141 I N 0.984 121.580 120.570 0.042 0.000 2.335 141 I HA -0.292 3.878 4.170 0.000 0.000 0.251 141 I C 1.863 177.976 176.117 -0.006 0.000 1.129 141 I CA 1.111 62.417 61.300 0.011 0.000 1.402 141 I CB -1.563 36.539 38.000 0.171 0.000 1.069 141 I HN 0.265 nan 8.210 nan 0.000 0.424 142 N N 0.575 119.295 118.700 0.034 0.000 2.216 142 N HA -0.189 4.551 4.740 0.000 0.000 0.183 142 N C 1.846 177.292 175.510 -0.108 0.000 1.017 142 N CA 0.850 53.924 53.050 0.039 0.000 0.861 142 N CB -0.267 38.298 38.487 0.130 0.000 0.986 142 N HN 0.517 nan 8.380 nan 0.000 0.428 143 Q N -0.164 119.561 119.800 -0.126 0.000 2.046 143 Q HA -0.181 4.159 4.340 0.000 0.000 0.200 143 Q C 2.034 177.779 176.000 -0.425 0.000 0.975 143 Q CA 1.161 56.878 55.803 -0.144 0.000 0.836 143 Q CB -0.204 28.554 28.738 0.035 0.000 0.896 143 Q HN 0.458 nan 8.270 nan 0.000 0.428 144 Y N -0.222 119.543 120.300 -0.891 0.000 2.097 144 Y HA -0.321 4.229 4.550 0.000 0.000 0.282 144 Y C 1.655 176.780 175.900 -1.291 0.000 1.152 144 Y CA 2.121 59.336 58.100 -1.475 0.000 1.136 144 Y CB -0.382 37.234 38.460 -1.406 0.000 0.975 144 Y HN 0.188 nan 8.280 nan 0.000 0.498 145 Y N -0.216 119.555 120.300 -0.882 0.000 2.293 145 Y HA -0.019 4.531 4.550 0.000 0.000 0.291 145 Y C 2.501 178.062 175.900 -0.565 0.000 1.137 145 Y CA 1.178 58.837 58.100 -0.734 0.000 1.202 145 Y CB -0.717 37.289 38.460 -0.756 0.000 0.990 145 Y HN 0.230 nan 8.280 nan 0.000 0.537 146 G N -1.433 107.147 108.800 -0.367 0.000 3.061 146 G HA2 -0.066 3.894 3.960 0.000 0.000 0.208 146 G HA3 -0.066 3.894 3.960 0.000 0.000 0.208 146 G C 1.254 175.994 174.900 -0.266 0.000 1.175 146 G CA 0.751 45.732 45.100 -0.199 0.000 0.812 146 G HN 0.417 nan 8.290 nan 0.000 0.523 147 S N -0.727 114.640 115.700 -0.555 0.000 2.539 147 S HA 0.393 4.863 4.470 0.000 0.000 0.221 147 S C 0.259 174.606 174.600 -0.422 0.000 0.987 147 S CA -0.707 57.219 58.200 -0.457 0.000 0.929 147 S CB -0.048 62.860 63.200 -0.487 0.000 0.832 147 S HN -0.027 nan 8.310 nan 0.000 0.492 148 F N 2.995 122.805 119.950 -0.232 0.000 2.410 148 F HA 0.476 5.003 4.527 0.000 0.000 0.334 148 F C 1.711 177.459 175.800 -0.087 0.000 1.134 148 F CA -1.351 56.544 58.000 -0.174 0.000 1.227 148 F CB 0.756 39.633 39.000 -0.205 0.000 1.194 148 F HN -0.001 nan 8.300 nan 0.000 0.571 149 K N 0.774 121.272 120.400 0.163 0.000 2.009 149 K HA -0.126 4.194 4.320 0.000 0.000 0.210 149 K C -0.336 176.303 176.600 0.066 0.000 1.049 149 K CA 1.624 57.959 56.287 0.080 0.000 0.929 149 K CB 0.015 32.549 32.500 0.057 0.000 0.714 149 K HN 0.693 nan 8.250 nan 0.000 0.440 150 E N 0.382 120.620 120.200 0.064 0.000 2.182 150 E HA 0.320 4.670 4.350 0.000 0.000 0.258 150 E C -1.341 175.291 176.600 0.053 0.000 0.879 150 E CA -0.672 55.752 56.400 0.040 0.000 0.754 150 E CB 1.797 31.501 29.700 0.007 0.000 1.162 150 E HN 0.383 nan 8.360 nan 0.000 0.419 151 A N 3.678 126.548 122.820 0.084 0.000 2.555 151 A HA -0.015 4.305 4.320 0.000 0.000 0.233 151 A C 0.029 177.662 177.584 0.082 0.000 1.060 151 A CA 0.471 52.583 52.037 0.124 0.000 0.759 151 A CB 0.180 19.251 19.000 0.118 0.000 0.995 151 A HN 0.600 nan 8.150 nan 0.000 0.506 152 K N 2.929 123.407 120.400 0.130 0.000 2.682 152 K HA 0.317 4.637 4.320 0.000 0.000 0.189 152 K C 0.442 177.105 176.600 0.105 0.000 1.062 152 K CA -0.166 56.168 56.287 0.078 0.000 0.997 152 K CB 0.499 33.015 32.500 0.026 0.000 1.405 152 K HN 0.695 nan 8.250 nan 0.000 0.588 153 I N 0.483 121.095 120.570 0.071 0.000 2.145 153 I HA -0.396 3.774 4.170 0.000 0.000 0.244 153 I C 2.470 178.568 176.117 -0.032 0.000 1.075 153 I CA 1.589 62.906 61.300 0.028 0.000 1.332 153 I CB -0.194 37.802 38.000 -0.006 0.000 1.033 153 I HN 0.613 nan 8.210 nan 0.000 0.410 154 E N 1.426 121.611 120.200 -0.026 0.000 2.033 154 E HA -0.287 4.063 4.350 0.000 0.000 0.199 154 E C 2.095 178.663 176.600 -0.053 0.000 1.011 154 E CA 1.939 58.316 56.400 -0.039 0.000 0.815 154 E CB -0.057 29.631 29.700 -0.020 0.000 0.755 154 E HN 0.527 nan 8.360 nan 0.000 0.451 155 E N -0.789 119.393 120.200 -0.031 0.000 2.110 155 E HA -0.236 4.114 4.350 0.000 0.000 0.193 155 E C 2.087 178.525 176.600 -0.270 0.000 0.988 155 E CA 1.160 57.541 56.400 -0.031 0.000 0.804 155 E CB -0.299 29.477 29.700 0.126 0.000 0.745 155 E HN 0.503 nan 8.360 nan 0.000 0.458 156 H N 0.556 119.240 119.070 -0.642 0.000 2.267 156 H HA -0.126 4.430 4.556 0.000 0.000 0.297 156 H C 2.151 177.177 175.328 -0.504 0.000 1.080 156 H CA 0.884 56.289 56.048 -1.071 0.000 1.278 156 H CB 0.185 29.573 29.762 -0.623 0.000 1.365 156 H HN 0.055 nan 8.280 nan 0.000 0.489 157 L N 0.700 121.781 121.223 -0.236 0.000 2.083 157 L HA -0.141 4.199 4.340 0.000 0.000 0.209 157 L C 2.906 179.708 176.870 -0.113 0.000 1.083 157 L CA 1.502 56.218 54.840 -0.206 0.000 0.752 157 L CB -1.602 40.350 42.059 -0.179 0.000 0.899 157 L HN 0.469 nan 8.230 nan 0.000 0.433 158 A N -0.200 122.565 122.820 -0.091 0.000 1.902 158 A HA -0.242 4.078 4.320 0.000 0.000 0.217 158 A C 2.421 179.996 177.584 -0.015 0.000 1.181 158 A CA 1.658 53.670 52.037 -0.041 0.000 0.623 158 A CB -0.433 18.555 19.000 -0.020 0.000 0.818 158 A HN 0.292 nan 8.150 nan 0.000 0.443 159 R N 0.031 120.520 120.500 -0.019 0.000 2.092 159 R HA 0.032 4.372 4.340 0.000 0.000 0.231 159 R C 1.872 178.199 176.300 0.044 0.000 1.119 159 R CA 1.408 57.544 56.100 0.060 0.000 0.970 159 R CB -0.861 29.539 30.300 0.166 0.000 0.864 159 R HN 0.520 nan 8.270 nan 0.000 0.440 160 L N 0.166 121.398 121.223 0.015 0.000 2.042 160 L HA -0.184 4.156 4.340 0.000 0.000 0.210 160 L C 2.535 179.393 176.870 -0.020 0.000 1.076 160 L CA 2.050 56.893 54.840 0.005 0.000 0.749 160 L CB -0.503 41.543 42.059 -0.022 0.000 0.893 160 L HN 0.426 nan 8.230 nan 0.000 0.432 161 E N 0.109 120.294 120.200 -0.025 0.000 2.028 161 E HA -0.238 4.112 4.350 0.000 0.000 0.191 161 E C 2.216 178.810 176.600 -0.010 0.000 0.988 161 E CA 1.185 57.572 56.400 -0.022 0.000 0.799 161 E CB -0.052 29.634 29.700 -0.023 0.000 0.755 161 E HN 0.426 nan 8.360 nan 0.000 0.447 162 A N 0.657 123.481 122.820 0.006 0.000 1.908 162 A HA -0.172 4.148 4.320 0.000 0.000 0.218 162 A C 2.433 180.028 177.584 0.019 0.000 1.181 162 A CA 1.669 53.719 52.037 0.022 0.000 0.627 162 A CB -0.819 18.208 19.000 0.045 0.000 0.818 162 A HN 0.257 nan 8.150 nan 0.000 0.445 163 V N -0.339 119.575 119.914 -0.001 0.000 2.343 163 V HA -0.233 3.887 4.120 0.000 0.000 0.247 163 V C 2.762 178.798 176.094 -0.098 0.000 1.051 163 V CA 2.493 64.750 62.300 -0.072 0.000 1.036 163 V CB -1.215 30.508 31.823 -0.166 0.000 0.654 163 V HN 0.633 nan 8.190 nan 0.000 0.451 164 T N -0.678 113.834 114.554 -0.071 0.000 2.708 164 T HA -0.233 4.117 4.350 0.000 0.000 0.266 164 T C 1.977 176.662 174.700 -0.025 0.000 1.037 164 T CA 1.576 63.643 62.100 -0.055 0.000 1.146 164 T CB -0.205 68.638 68.868 -0.042 0.000 0.865 164 T HN 0.404 nan 8.240 nan 0.000 0.435 165 K N 0.612 121.006 120.400 -0.010 0.000 2.057 165 K HA -0.115 4.205 4.320 0.000 0.000 0.207 165 K C 2.456 179.067 176.600 0.019 0.000 1.049 165 K CA 1.294 57.584 56.287 0.005 0.000 0.931 165 K CB -0.099 32.406 32.500 0.010 0.000 0.714 165 K HN 0.409 nan 8.250 nan 0.000 0.440 166 E N 0.745 120.964 120.200 0.031 0.000 2.077 166 E HA -0.183 4.167 4.350 0.000 0.000 0.193 166 E C 1.862 178.502 176.600 0.067 0.000 0.989 166 E CA 1.089 57.526 56.400 0.063 0.000 0.800 166 E CB 0.042 29.806 29.700 0.107 0.000 0.746 166 E HN 0.257 nan 8.360 nan 0.000 0.452 167 I N 0.693 121.292 120.570 0.048 0.000 2.252 167 I HA -0.217 3.953 4.170 0.000 0.000 0.245 167 I C 2.273 178.409 176.117 0.032 0.000 1.102 167 I CA 1.060 62.390 61.300 0.050 0.000 1.385 167 I CB -0.300 37.708 38.000 0.014 0.000 1.064 167 I HN 0.148 nan 8.210 nan 0.000 0.414 168 E N 0.485 120.694 120.200 0.016 0.000 2.077 168 E HA -0.215 4.135 4.350 0.000 0.000 0.193 168 E C 2.158 178.769 176.600 0.018 0.000 0.989 168 E CA 2.101 58.508 56.400 0.012 0.000 0.800 168 E CB -0.085 29.617 29.700 0.004 0.000 0.746 168 E HN 0.590 nan 8.360 nan 0.000 0.452 169 T N -2.387 112.180 114.554 0.023 0.000 3.054 169 T HA -0.020 4.330 4.350 0.000 0.000 0.259 169 T C 1.914 176.631 174.700 0.028 0.000 1.092 169 T CA 1.226 63.340 62.100 0.024 0.000 1.121 169 T CB 0.128 69.010 68.868 0.023 0.000 0.912 169 T HN 0.182 nan 8.240 nan 0.000 0.489 170 T N -3.330 111.247 114.554 0.037 0.000 2.958 170 T HA 0.527 4.877 4.350 0.000 0.000 0.256 170 T C 1.884 176.608 174.700 0.040 0.000 0.983 170 T CA 0.762 62.886 62.100 0.039 0.000 0.924 170 T CB 0.078 68.975 68.868 0.047 0.000 1.136 170 T HN 0.860 nan 8.240 nan 0.000 0.506 171 G N 0.284 109.111 108.800 0.046 0.000 2.195 171 G HA2 -0.158 3.802 3.960 0.000 0.000 0.246 171 G HA3 -0.158 3.802 3.960 0.000 0.000 0.246 171 G C 0.208 175.148 174.900 0.066 0.000 0.984 171 G CA 0.550 45.678 45.100 0.045 0.000 0.633 171 G HN 1.076 nan 8.290 nan 0.000 0.525 172 T N -1.280 113.330 114.554 0.092 0.000 2.665 172 T HA 0.657 5.007 4.350 0.000 0.000 0.303 172 T C -1.698 173.141 174.700 0.231 0.000 1.334 172 T CA 0.383 62.567 62.100 0.141 0.000 1.011 172 T CB 1.342 70.239 68.868 0.049 0.000 1.573 172 T HN 1.593 nan 8.240 nan 0.000 0.492 173 Y N -0.097 120.209 120.300 0.009 0.000 2.588 173 Y HA 0.821 5.371 4.550 0.000 0.000 0.343 173 Y C -1.173 174.743 175.900 0.027 0.000 1.065 173 Y CA -1.223 56.893 58.100 0.026 0.000 1.038 173 Y CB 1.123 39.612 38.460 0.048 0.000 1.297 173 Y HN 0.362 nan 8.280 nan 0.000 0.467 174 Q N 2.853 122.684 119.800 0.051 0.000 2.290 174 Q HA 0.436 4.776 4.340 0.000 0.000 0.259 174 Q C -0.703 175.311 176.000 0.023 0.000 0.941 174 Q CA -0.625 55.158 55.803 -0.034 0.000 0.912 174 Q CB 2.437 31.193 28.738 0.030 0.000 1.244 174 Q HN 0.872 nan 8.270 nan 0.000 0.441 175 L N 1.898 123.092 121.223 -0.048 0.000 2.439 175 L HA 0.168 4.508 4.340 0.000 0.000 0.269 175 L C 1.159 178.064 176.870 0.057 0.000 1.179 175 L CA -0.107 54.763 54.840 0.049 0.000 0.828 175 L CB 0.495 42.570 42.059 0.027 0.000 1.106 175 L HN 0.662 nan 8.230 nan 0.000 0.467 176 T N -0.571 114.017 114.554 0.057 0.000 2.828 176 T HA 0.118 4.468 4.350 0.000 0.000 0.290 176 T C 0.962 175.663 174.700 0.001 0.000 1.019 176 T CA -0.760 61.357 62.100 0.029 0.000 1.031 176 T CB 1.069 69.949 68.868 0.020 0.000 1.001 176 T HN 0.461 nan 8.240 nan 0.000 0.531 177 L N 0.833 122.060 121.223 0.007 0.000 2.042 177 L HA -0.049 4.291 4.340 0.000 0.000 0.210 177 L C 2.002 178.880 176.870 0.013 0.000 1.076 177 L CA 1.991 56.830 54.840 -0.001 0.000 0.749 177 L CB -1.177 40.883 42.059 0.003 0.000 0.893 177 L HN 0.745 nan 8.230 nan 0.000 0.432 178 D N -0.465 119.954 120.400 0.030 0.000 2.144 178 D HA -0.180 4.460 4.640 0.000 0.000 0.199 178 D C 2.128 178.464 176.300 0.059 0.000 0.984 178 D CA 1.358 55.415 54.000 0.096 0.000 0.834 178 D CB 0.026 40.938 40.800 0.187 0.000 0.955 178 D HN 0.527 nan 8.370 nan 0.000 0.465 179 E N -0.084 120.000 120.200 -0.194 0.000 2.072 179 E HA -0.143 4.207 4.350 0.000 0.000 0.191 179 E C 2.035 178.750 176.600 0.192 0.000 0.985 179 E CA 0.305 56.569 56.400 -0.227 0.000 0.801 179 E CB -0.054 29.525 29.700 -0.201 0.000 0.750 179 E HN 0.107 nan 8.360 nan 0.000 0.452 180 L N 1.137 122.399 121.223 0.065 0.000 2.017 180 L HA -0.160 4.180 4.340 0.000 0.000 0.208 180 L C 2.018 178.900 176.870 0.019 0.000 1.073 180 L CA 1.545 56.379 54.840 -0.010 0.000 0.745 180 L CB -0.273 41.725 42.059 -0.103 0.000 0.894 180 L HN 0.122 nan 8.230 nan 0.000 0.432 181 I N -1.148 119.457 120.570 0.058 0.000 2.127 181 I HA -0.349 3.821 4.170 0.000 0.000 0.241 181 I C 2.401 178.612 176.117 0.158 0.000 1.075 181 I CA 1.944 63.285 61.300 0.068 0.000 1.334 181 I CB -0.457 37.589 38.000 0.076 0.000 1.040 181 I HN 0.353 nan 8.210 nan 0.000 0.405 182 F N 1.685 121.715 119.950 0.133 0.000 2.126 182 F HA -0.286 4.241 4.527 0.000 0.000 0.299 182 F C 2.428 178.352 175.800 0.205 0.000 1.096 182 F CA 1.609 59.733 58.000 0.207 0.000 1.255 182 F CB -0.244 38.950 39.000 0.324 0.000 0.997 182 F HN 0.016 nan 8.300 nan 0.000 0.479 183 A N 0.052 122.997 122.820 0.209 0.000 1.902 183 A HA -0.193 4.127 4.320 0.000 0.000 0.217 183 A C 2.266 179.764 177.584 -0.144 0.000 1.181 183 A CA 2.414 54.461 52.037 0.017 0.000 0.623 183 A CB -1.633 17.349 19.000 -0.031 0.000 0.818 183 A HN 0.553 nan 8.150 nan 0.000 0.443 184 T N -1.615 112.887 114.554 -0.087 0.000 2.746 184 T HA -0.141 4.209 4.350 0.000 0.000 0.267 184 T C 1.817 176.544 174.700 0.044 0.000 1.039 184 T CA 1.645 63.718 62.100 -0.045 0.000 1.142 184 T CB -0.309 68.546 68.868 -0.022 0.000 0.866 184 T HN 0.526 nan 8.240 nan 0.000 0.444 185 K N 0.207 120.649 120.400 0.070 0.000 2.062 185 K HA 0.113 4.433 4.320 0.000 0.000 0.205 185 K C 2.554 179.234 176.600 0.133 0.000 1.051 185 K CA 1.145 57.575 56.287 0.239 0.000 0.941 185 K CB -0.220 32.434 32.500 0.257 0.000 0.719 185 K HN 0.223 nan 8.250 nan 0.000 0.440 186 M N 0.563 120.059 119.600 -0.172 0.000 2.117 186 M HA -0.098 4.382 4.480 0.000 0.000 0.262 186 M C 2.442 178.581 176.300 -0.268 0.000 1.065 186 M CA 1.472 56.568 55.300 -0.340 0.000 1.114 186 M CB -1.040 31.247 32.600 -0.522 0.000 1.361 186 M HN 0.171 nan 8.290 nan 0.000 0.408 187 A N -0.754 121.874 122.820 -0.319 0.000 1.940 187 A HA -0.217 4.103 4.320 0.000 0.000 0.219 187 A C 2.003 179.385 177.584 -0.337 0.000 1.176 187 A CA 1.499 53.203 52.037 -0.555 0.000 0.631 187 A CB -1.096 17.171 19.000 -1.221 0.000 0.814 187 A HN 0.687 nan 8.150 nan 0.000 0.446 188 W N 0.850 122.012 121.300 -0.229 0.000 2.379 188 W HA -0.093 4.567 4.660 0.000 0.000 0.307 188 W C 2.300 178.736 176.519 -0.139 0.000 1.200 188 W CA 1.407 58.708 57.345 -0.073 0.000 1.297 188 W CB -0.734 28.705 29.460 -0.036 0.000 1.140 188 W HN 0.356 nan 8.180 nan 0.000 0.507 189 R N 0.363 120.784 120.500 -0.132 0.000 2.139 189 R HA -0.187 4.153 4.340 0.000 0.000 0.243 189 R C 1.192 177.336 176.300 -0.259 0.000 1.145 189 R CA 1.811 57.667 56.100 -0.406 0.000 0.976 189 R CB -0.518 29.339 30.300 -0.738 0.000 0.866 189 R HN 0.069 nan 8.270 nan 0.000 0.449 190 N N 0.039 118.622 118.700 -0.195 0.000 2.314 190 N HA 0.067 4.807 4.740 0.000 0.000 0.200 190 N C -0.816 174.629 175.510 -0.108 0.000 1.135 190 N CA 0.413 53.386 53.050 -0.128 0.000 0.835 190 N CB 1.059 39.510 38.487 -0.060 0.000 0.989 190 N HN 0.158 nan 8.380 nan 0.000 0.478 191 A N 1.614 124.362 122.820 -0.121 0.000 2.437 191 A HA 0.343 4.663 4.320 0.000 0.000 0.303 191 A C -1.328 176.195 177.584 -0.101 0.000 1.324 191 A CA -1.105 50.826 52.037 -0.177 0.000 0.983 191 A CB 0.521 19.477 19.000 -0.073 0.000 1.142 191 A HN -0.028 nan 8.150 nan 0.000 0.541 192 P HA -0.122 nan 4.420 nan 0.000 0.221 192 P C 1.011 178.247 177.300 -0.107 0.000 1.145 192 P CA 1.137 64.180 63.100 -0.095 0.000 0.795 192 P CB 0.169 31.810 31.700 -0.099 0.000 0.775 193 R N -2.182 118.216 120.500 -0.170 0.000 2.334 193 R HA 0.170 4.510 4.340 0.000 0.000 0.216 193 R C 0.204 176.501 176.300 -0.006 0.000 0.905 193 R CA -0.162 55.856 56.100 -0.137 0.000 1.064 193 R CB -0.329 29.678 30.300 -0.489 0.000 1.046 193 R HN 0.178 nan 8.270 nan 0.000 0.508 194 C N 0.783 120.069 119.300 -0.023 0.000 2.285 194 C HA 0.294 4.754 4.460 0.000 0.000 0.335 194 C C 1.674 176.648 174.990 -0.027 0.000 1.267 194 C CA -0.841 58.201 59.018 0.040 0.000 1.762 194 C CB -0.253 27.579 27.740 0.154 0.000 2.365 194 C HN 0.469 nan 8.230 nan 0.000 0.527 195 I N 4.573 125.111 120.570 -0.053 0.000 2.876 195 I HA 0.222 4.392 4.170 0.000 0.000 0.264 195 I C 2.057 178.248 176.117 0.123 0.000 1.204 195 I CA 1.533 62.768 61.300 -0.108 0.000 1.485 195 I CB 0.035 37.975 38.000 -0.098 0.000 1.103 195 I HN 0.863 nan 8.210 nan 0.000 0.446 196 G N -0.109 108.754 108.800 0.106 0.000 3.088 196 G HA2 -0.054 3.906 3.960 0.000 0.000 0.212 196 G HA3 -0.054 3.906 3.960 0.000 0.000 0.212 196 G C 1.429 176.333 174.900 0.006 0.000 1.173 196 G CA -0.270 44.881 45.100 0.084 0.000 0.779 196 G HN 0.273 nan 8.290 nan 0.000 0.540 197 R N -0.211 120.244 120.500 -0.075 0.000 2.371 197 R HA 0.005 4.345 4.340 0.000 0.000 0.226 197 R C 1.969 177.712 176.300 -0.927 0.000 1.132 197 R CA 0.364 56.117 56.100 -0.578 0.000 1.027 197 R CB -0.267 29.779 30.300 -0.424 0.000 0.848 197 R HN 0.467 nan 8.270 nan 0.000 0.479 198 I N 0.728 120.948 120.570 -0.583 0.000 2.614 198 I HA -0.208 3.962 4.170 0.000 0.000 0.258 198 I C 1.371 177.334 176.117 -0.256 0.000 1.189 198 I CA 1.133 62.221 61.300 -0.353 0.000 1.462 198 I CB 0.174 38.142 38.000 -0.053 0.000 1.092 198 I HN 0.150 nan 8.210 nan 0.000 0.442 199 Q N 0.654 120.238 119.800 -0.359 0.000 2.403 199 Q HA -0.091 4.249 4.340 0.000 0.000 0.203 199 Q C 1.570 177.095 176.000 -0.792 0.000 0.932 199 Q CA 0.274 55.871 55.803 -0.344 0.000 0.945 199 Q CB -0.178 28.522 28.738 -0.063 0.000 1.045 199 Q HN 0.770 nan 8.270 nan 0.000 0.511 200 W N 1.171 121.684 121.300 -1.312 0.000 2.292 200 W HA -0.255 4.405 4.660 0.000 0.000 0.304 200 W C 1.268 177.503 176.519 -0.473 0.000 1.228 200 W CA 1.660 58.142 57.345 -1.439 0.000 1.241 200 W CB -1.374 27.459 29.460 -1.045 0.000 1.142 200 W HN 0.176 nan 8.180 nan 0.000 0.520 201 S N 0.768 115.617 115.700 -1.419 0.000 2.522 201 S HA -0.053 4.417 4.470 0.000 0.000 0.227 201 S C 0.368 174.720 174.600 -0.414 0.000 0.986 201 S CA 0.377 57.917 58.200 -1.100 0.000 0.929 201 S CB -0.694 61.711 63.200 -1.326 0.000 0.769 201 S HN 0.126 nan 8.310 nan 0.000 0.529 202 N N 1.810 120.375 118.700 -0.225 0.000 2.949 202 N HA 0.544 5.284 4.740 0.000 0.000 0.243 202 N C -1.395 174.202 175.510 0.146 0.000 1.113 202 N CA -0.241 52.800 53.050 -0.014 0.000 0.980 202 N CB 0.932 39.441 38.487 0.037 0.000 1.256 202 N HN 0.312 nan 8.380 nan 0.000 0.508 203 L N 1.279 122.553 121.223 0.085 0.000 2.438 203 L HA 0.427 4.767 4.340 0.000 0.000 0.270 203 L C -0.750 176.074 176.870 -0.078 0.000 0.972 203 L CA -0.772 54.101 54.840 0.056 0.000 0.831 203 L CB 1.979 44.113 42.059 0.125 0.000 1.273 203 L HN 0.204 nan 8.230 nan 0.000 0.405 204 Q N 2.992 122.691 119.800 -0.168 0.000 2.267 204 Q HA 0.597 4.937 4.340 0.000 0.000 0.255 204 Q C -1.640 174.006 176.000 -0.590 0.000 0.923 204 Q CA -0.135 55.418 55.803 -0.416 0.000 0.925 204 Q CB 1.447 29.834 28.738 -0.585 0.000 1.195 204 Q HN 0.510 nan 8.270 nan 0.000 0.417 205 V N 5.678 125.237 119.914 -0.591 0.000 2.384 205 V HA 0.435 4.555 4.120 0.000 0.000 0.287 205 V C -0.954 174.796 176.094 -0.574 0.000 1.020 205 V CA -0.611 61.396 62.300 -0.488 0.000 0.850 205 V CB 0.823 32.498 31.823 -0.246 0.000 0.987 205 V HN 0.658 nan 8.190 nan 0.000 0.436 206 F N 2.628 122.453 119.950 -0.208 0.000 2.332 206 F HA 0.368 4.895 4.527 0.000 0.000 0.368 206 F C 0.486 176.117 175.800 -0.280 0.000 1.110 206 F CA -1.369 56.495 58.000 -0.226 0.000 1.087 206 F CB 0.943 39.818 39.000 -0.208 0.000 1.235 206 F HN 0.448 nan 8.300 nan 0.000 0.470 207 D N 3.325 123.687 120.400 -0.062 0.000 2.359 207 D HA 0.334 4.974 4.640 0.000 0.000 0.250 207 D C 0.223 176.383 176.300 -0.234 0.000 1.264 207 D CA 0.218 54.127 54.000 -0.151 0.000 0.911 207 D CB 0.826 41.572 40.800 -0.089 0.000 1.056 207 D HN 0.582 nan 8.370 nan 0.000 0.499 208 A N 4.596 127.161 122.820 -0.423 0.000 2.701 208 A HA 0.182 4.502 4.320 0.000 0.000 0.297 208 A C 1.611 179.003 177.584 -0.320 0.000 1.197 208 A CA -0.442 51.235 52.037 -0.599 0.000 0.963 208 A CB 0.051 18.276 19.000 -1.292 0.000 1.175 208 A HN 0.529 nan 8.150 nan 0.000 0.531 209 R N 0.912 121.299 120.500 -0.189 0.000 2.235 209 R HA -0.090 4.250 4.340 0.000 0.000 0.213 209 R C 1.531 177.783 176.300 -0.080 0.000 1.059 209 R CA 1.221 57.258 56.100 -0.105 0.000 0.997 209 R CB -0.003 30.279 30.300 -0.031 0.000 0.884 209 R HN 0.750 nan 8.270 nan 0.000 0.462 210 N N 0.366 119.041 118.700 -0.043 0.000 2.467 210 N HA -0.083 4.657 4.740 0.000 0.000 0.184 210 N C 0.514 176.060 175.510 0.060 0.000 1.106 210 N CA 0.029 53.087 53.050 0.013 0.000 0.892 210 N CB -0.414 38.094 38.487 0.036 0.000 0.969 210 N HN 0.030 nan 8.380 nan 0.000 0.454 211 C N 1.746 121.086 119.300 0.066 0.000 2.665 211 C HA 0.257 4.717 4.460 0.000 0.000 0.416 211 C C 1.855 176.988 174.990 0.238 0.000 1.305 211 C CA 0.676 59.817 59.018 0.204 0.000 1.903 211 C CB -0.093 27.842 27.740 0.325 0.000 2.704 211 C HN 0.653 nan 8.230 nan 0.000 0.629 212 S N 1.437 117.347 115.700 0.350 0.000 2.617 212 S HA 0.207 4.677 4.470 0.000 0.000 0.278 212 S C 0.163 174.959 174.600 0.326 0.000 1.082 212 S CA 0.433 58.881 58.200 0.414 0.000 1.228 212 S CB -0.126 63.218 63.200 0.240 0.000 1.130 212 S HN 1.075 nan 8.310 nan 0.000 0.621 213 T N -1.369 113.342 114.554 0.261 0.000 2.916 213 T HA 0.845 5.195 4.350 0.000 0.000 0.292 213 T C 1.235 176.015 174.700 0.133 0.000 1.055 213 T CA -0.190 62.001 62.100 0.151 0.000 1.009 213 T CB 1.483 70.427 68.868 0.128 0.000 1.118 213 T HN 0.280 nan 8.240 nan 0.000 0.497 214 A N 0.709 123.576 122.820 0.079 0.000 1.940 214 A HA -0.115 4.205 4.320 0.000 0.000 0.219 214 A C 2.291 179.869 177.584 -0.010 0.000 1.176 214 A CA 2.203 54.274 52.037 0.057 0.000 0.631 214 A CB -1.193 17.927 19.000 0.201 0.000 0.814 214 A HN 0.890 nan 8.150 nan 0.000 0.446 215 Q N 0.177 120.061 119.800 0.141 0.000 2.124 215 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 215 Q C 1.765 177.799 176.000 0.058 0.000 0.977 215 Q CA 2.269 58.155 55.803 0.138 0.000 0.850 215 Q CB -0.360 28.513 28.738 0.225 0.000 0.901 215 Q HN 0.768 nan 8.270 nan 0.000 0.429 216 E N -0.645 119.611 120.200 0.093 0.000 2.107 216 E HA -0.138 4.212 4.350 0.000 0.000 0.191 216 E C 2.021 178.738 176.600 0.194 0.000 0.982 216 E CA 1.053 57.514 56.400 0.102 0.000 0.809 216 E CB -0.121 29.687 29.700 0.181 0.000 0.756 216 E HN 0.428 nan 8.360 nan 0.000 0.459 217 M N 0.165 119.893 119.600 0.214 0.000 2.059 217 M HA -0.173 4.307 4.480 0.000 0.000 0.259 217 M C 2.228 178.638 176.300 0.183 0.000 1.072 217 M CA 1.364 56.815 55.300 0.251 0.000 1.117 217 M CB -0.298 32.249 32.600 -0.089 0.000 1.320 217 M HN 0.128 nan 8.290 nan 0.000 0.408 218 F N 1.403 121.187 119.950 -0.276 0.000 2.120 218 F HA -0.299 4.228 4.527 0.000 0.000 0.300 218 F C 2.220 177.920 175.800 -0.167 0.000 1.095 218 F CA 1.905 59.670 58.000 -0.392 0.000 1.249 218 F CB -0.707 37.719 39.000 -0.957 0.000 0.995 218 F HN 0.231 nan 8.300 nan 0.000 0.480 219 Q N -1.266 118.347 119.800 -0.311 0.000 2.079 219 Q HA -0.203 4.137 4.340 0.000 0.000 0.200 219 Q C 2.239 178.066 176.000 -0.289 0.000 0.974 219 Q CA 1.523 57.083 55.803 -0.406 0.000 0.840 219 Q CB -0.417 28.132 28.738 -0.316 0.000 0.898 219 Q HN 0.508 nan 8.270 nan 0.000 0.430 220 H N 0.358 119.388 119.070 -0.067 0.000 2.353 220 H HA -0.064 4.492 4.556 0.000 0.000 0.300 220 H C 2.133 177.443 175.328 -0.029 0.000 1.090 220 H CA 1.231 57.250 56.048 -0.049 0.000 1.327 220 H CB -0.064 29.738 29.762 0.065 0.000 1.383 220 H HN 0.250 nan 8.280 nan 0.000 0.508 221 I N -0.105 120.578 120.570 0.188 0.000 2.286 221 I HA -0.286 3.884 4.170 0.000 0.000 0.248 221 I C 2.633 178.778 176.117 0.046 0.000 1.115 221 I CA 0.725 62.106 61.300 0.134 0.000 1.392 221 I CB -0.266 37.828 38.000 0.157 0.000 1.065 221 I HN 0.217 nan 8.210 nan 0.000 0.418 222 C N 0.233 119.473 119.300 -0.100 0.000 2.446 222 C HA -0.114 4.346 4.460 0.000 0.000 0.277 222 C C 2.958 177.901 174.990 -0.078 0.000 1.275 222 C CA 0.498 59.434 59.018 -0.137 0.000 1.727 222 C CB -1.061 26.473 27.740 -0.343 0.000 2.010 222 C HN 0.456 nan 8.230 nan 0.000 0.486 223 R N 0.253 120.675 120.500 -0.131 0.000 2.120 223 R HA -0.153 4.188 4.340 0.000 0.000 0.234 223 R C 1.980 178.203 176.300 -0.128 0.000 1.123 223 R CA 1.873 57.869 56.100 -0.174 0.000 0.975 223 R CB -0.743 29.373 30.300 -0.307 0.000 0.866 223 R HN 0.772 nan 8.270 nan 0.000 0.446 224 H N 0.063 119.041 119.070 -0.152 0.000 2.276 224 H HA -0.022 4.534 4.556 0.000 0.000 0.301 224 H C 2.241 177.655 175.328 0.144 0.000 1.073 224 H CA 2.365 58.432 56.048 0.031 0.000 1.311 224 H CB -0.166 29.650 29.762 0.089 0.000 1.379 224 H HN 0.105 nan 8.280 nan 0.000 0.494 225 I N 0.056 120.822 120.570 0.327 0.000 2.145 225 I HA -0.285 3.885 4.170 0.000 0.000 0.244 225 I C 2.400 178.609 176.117 0.154 0.000 1.075 225 I CA 1.137 62.574 61.300 0.229 0.000 1.332 225 I CB -0.271 37.803 38.000 0.124 0.000 1.033 225 I HN 0.342 nan 8.210 nan 0.000 0.410 226 L N 0.083 121.368 121.223 0.103 0.000 2.046 226 L HA -0.263 4.077 4.340 0.000 0.000 0.208 226 L C 2.457 179.376 176.870 0.081 0.000 1.077 226 L CA 1.879 56.760 54.840 0.068 0.000 0.747 226 L CB -0.929 41.147 42.059 0.030 0.000 0.896 226 L HN 0.268 nan 8.230 nan 0.000 0.432 227 Y N 0.067 120.383 120.300 0.026 0.000 2.133 227 Y HA -0.155 4.395 4.550 0.000 0.000 0.287 227 Y C 2.403 178.346 175.900 0.072 0.000 1.134 227 Y CA 1.967 60.105 58.100 0.064 0.000 1.133 227 Y CB -0.640 37.910 38.460 0.151 0.000 0.987 227 Y HN 0.219 nan 8.280 nan 0.000 0.502 228 A N -0.366 122.531 122.820 0.128 0.000 1.883 228 A HA -0.218 4.102 4.320 0.000 0.000 0.217 228 A C 2.218 179.813 177.584 0.019 0.000 1.186 228 A CA 2.504 54.589 52.037 0.079 0.000 0.624 228 A CB -1.447 17.677 19.000 0.207 0.000 0.822 228 A HN 0.543 nan 8.150 nan 0.000 0.444 229 T N -0.257 114.327 114.554 0.050 0.000 2.708 229 T HA -0.150 4.200 4.350 0.000 0.000 0.266 229 T C 1.180 175.874 174.700 -0.010 0.000 1.037 229 T CA 1.421 63.550 62.100 0.050 0.000 1.146 229 T CB -0.454 68.451 68.868 0.063 0.000 0.865 229 T HN 0.642 nan 8.240 nan 0.000 0.435 230 N N 1.339 119.997 118.700 -0.070 0.000 2.710 230 N HA -0.248 4.492 4.740 0.000 0.000 0.249 230 N C -0.219 175.261 175.510 -0.050 0.000 1.059 230 N CA 0.969 53.959 53.050 -0.100 0.000 0.720 230 N CB -1.923 36.460 38.487 -0.173 0.000 0.983 230 N HN 0.491 nan 8.380 nan 0.000 0.544 231 N N -1.423 117.263 118.700 -0.023 0.000 2.727 231 N HA -0.173 4.567 4.740 0.000 0.000 0.251 231 N C 1.024 176.525 175.510 -0.015 0.000 1.040 231 N CA 2.286 55.328 53.050 -0.015 0.000 0.712 231 N CB -1.227 37.248 38.487 -0.020 0.000 0.912 231 N HN 1.135 nan 8.380 nan 0.000 0.545 232 G N -0.225 108.576 108.800 0.002 0.000 2.320 232 G HA2 -0.386 3.574 3.960 0.000 0.000 0.242 232 G HA3 -0.386 3.574 3.960 0.000 0.000 0.242 232 G C 0.291 175.194 174.900 0.005 0.000 1.033 232 G CA 0.322 45.427 45.100 0.010 0.000 0.620 232 G HN 0.732 nan 8.290 nan 0.000 0.517 233 N N 2.133 120.817 118.700 -0.026 0.000 3.254 233 N HA 0.253 4.993 4.740 0.000 0.000 0.308 233 N C 0.988 176.474 175.510 -0.040 0.000 1.281 233 N CA -0.499 52.518 53.050 -0.055 0.000 1.212 233 N CB -0.669 37.777 38.487 -0.068 0.000 1.478 233 N HN 0.411 nan 8.380 nan 0.000 0.548 234 I N 1.136 121.719 120.570 0.020 0.000 3.076 234 I HA -0.207 3.963 4.170 0.000 0.000 0.321 234 I C 0.847 177.064 176.117 0.166 0.000 1.216 234 I CA 1.017 62.388 61.300 0.118 0.000 1.460 234 I CB -0.349 37.808 38.000 0.261 0.000 1.313 234 I HN 0.261 nan 8.210 nan 0.000 0.546 235 R N 3.822 124.404 120.500 0.137 0.000 2.599 235 R HA 0.399 4.739 4.340 0.000 0.000 0.295 235 R C -0.433 175.993 176.300 0.209 0.000 0.963 235 R CA -0.675 55.525 56.100 0.166 0.000 0.883 235 R CB 2.000 32.262 30.300 -0.063 0.000 1.171 235 R HN 0.559 nan 8.270 nan 0.000 0.450 236 S N 1.407 117.235 115.700 0.213 0.000 2.528 236 S HA 0.541 5.011 4.470 0.000 0.000 0.277 236 S C -0.461 174.157 174.600 0.030 0.000 1.297 236 S CA -0.261 57.964 58.200 0.043 0.000 1.052 236 S CB 1.275 64.427 63.200 -0.080 0.000 0.917 236 S HN 0.681 nan 8.310 nan 0.000 0.492 237 A N 3.035 125.839 122.820 -0.028 0.000 2.610 237 A HA 0.841 5.161 4.320 0.000 0.000 0.291 237 A C -1.347 176.245 177.584 0.014 0.000 1.086 237 A CA -0.654 51.301 52.037 -0.137 0.000 0.677 237 A CB 1.160 20.006 19.000 -0.256 0.000 1.278 237 A HN 0.784 nan 8.150 nan 0.000 0.414 238 I N 0.128 120.684 120.570 -0.024 0.000 2.722 238 I HA 0.647 4.817 4.170 0.000 0.000 0.295 238 I C -1.189 175.015 176.117 0.145 0.000 1.161 238 I CA -0.182 61.225 61.300 0.178 0.000 1.032 238 I CB 2.478 40.490 38.000 0.020 0.000 1.244 238 I HN 0.599 nan 8.210 nan 0.000 0.421 239 T N 6.045 120.709 114.554 0.184 0.000 2.791 239 T HA 0.438 4.788 4.350 0.000 0.000 0.288 239 T C -0.768 173.763 174.700 -0.281 0.000 0.999 239 T CA -0.341 61.751 62.100 -0.014 0.000 0.952 239 T CB 1.419 70.285 68.868 -0.003 0.000 0.938 239 T HN 0.255 nan 8.240 nan 0.000 0.444 240 V N 5.122 124.813 119.914 -0.371 0.000 2.370 240 V HA 0.484 4.604 4.120 0.000 0.000 0.279 240 V C -0.275 175.537 176.094 -0.471 0.000 1.029 240 V CA -0.730 61.345 62.300 -0.374 0.000 0.870 240 V CB 0.106 31.672 31.823 -0.427 0.000 0.984 240 V HN 0.749 nan 8.190 nan 0.000 0.451 241 F N 4.850 124.754 119.950 -0.076 0.000 2.375 241 F HA 0.484 5.011 4.527 0.000 0.000 0.317 241 F C -1.837 173.892 175.800 -0.117 0.000 1.124 241 F CA -2.447 55.460 58.000 -0.155 0.000 1.050 241 F CB 0.646 39.586 39.000 -0.100 0.000 1.314 241 F HN 0.300 nan 8.300 nan 0.000 0.511 242 P HA -0.038 nan 4.420 nan 0.000 0.262 242 P C -1.144 176.138 177.300 -0.029 0.000 1.182 242 P CA -0.029 62.950 63.100 -0.201 0.000 0.761 242 P CB 0.213 31.571 31.700 -0.571 0.000 0.795 243 Q N 3.453 123.202 119.800 -0.085 0.000 2.432 243 Q HA 0.061 4.401 4.340 0.000 0.000 0.264 243 Q C 0.149 176.031 176.000 -0.197 0.000 1.035 243 Q CA -0.481 55.056 55.803 -0.443 0.000 0.908 243 Q CB 0.696 28.891 28.738 -0.905 0.000 1.280 243 Q HN 0.339 nan 8.270 nan 0.000 0.455 244 R N 1.424 121.813 120.500 -0.186 0.000 2.484 244 R HA -0.011 4.329 4.340 0.000 0.000 0.293 244 R C 0.253 176.519 176.300 -0.056 0.000 1.023 244 R CA 0.744 56.813 56.100 -0.050 0.000 1.037 244 R CB 0.520 30.789 30.300 -0.052 0.000 0.951 244 R HN 0.939 nan 8.270 nan 0.000 0.418 245 S N 2.695 118.411 115.700 0.027 0.000 2.440 245 S HA -0.063 4.407 4.470 0.000 0.000 0.194 245 S C 0.813 175.441 174.600 0.046 0.000 0.952 245 S CA 0.501 58.717 58.200 0.027 0.000 0.898 245 S CB -0.077 63.155 63.200 0.053 0.000 0.875 245 S HN 0.835 nan 8.310 nan 0.000 0.581 246 D N -0.469 119.995 120.400 0.105 0.000 2.433 246 D HA 0.386 5.026 4.640 0.000 0.000 0.211 246 D C 1.318 177.643 176.300 0.042 0.000 1.114 246 D CA 0.515 54.562 54.000 0.079 0.000 0.837 246 D CB -0.010 40.859 40.800 0.114 0.000 0.984 246 D HN 0.768 nan 8.370 nan 0.000 0.505 247 G N 0.747 109.573 108.800 0.043 0.000 2.199 247 G HA2 -0.357 3.603 3.960 0.000 0.000 0.254 247 G HA3 -0.357 3.603 3.960 0.000 0.000 0.254 247 G C 0.984 175.859 174.900 -0.042 0.000 0.982 247 G CA 0.407 45.507 45.100 0.001 0.000 0.632 247 G HN 0.435 nan 8.290 nan 0.000 0.529 248 K N -0.471 119.872 120.400 -0.096 0.000 2.358 248 K HA 0.284 4.604 4.320 0.000 0.000 0.197 248 K C 0.560 176.867 176.600 -0.487 0.000 1.025 248 K CA 0.281 56.396 56.287 -0.287 0.000 1.104 248 K CB 0.353 32.633 32.500 -0.367 0.000 0.855 248 K HN 0.557 nan 8.250 nan 0.000 0.531 249 H N 0.328 119.415 119.070 0.028 0.000 2.562 249 H HA 0.173 4.729 4.556 0.000 0.000 0.249 249 H C -1.062 174.325 175.328 0.097 0.000 1.195 249 H CA -0.724 55.351 56.048 0.046 0.000 0.938 249 H CB 0.317 30.125 29.762 0.076 0.000 1.891 249 H HN -0.022 nan 8.280 nan 0.000 0.595 250 D N 0.658 121.135 120.400 0.128 0.000 2.389 250 D HA 0.014 4.654 4.640 0.000 0.000 0.247 250 D C -0.081 176.310 176.300 0.151 0.000 1.128 250 D CA 0.297 54.400 54.000 0.172 0.000 0.884 250 D CB 0.582 41.441 40.800 0.097 0.000 1.194 250 D HN 0.148 nan 8.370 nan 0.000 0.441 251 F N 2.695 122.683 119.950 0.063 0.000 2.411 251 F HA 0.349 4.876 4.527 0.000 0.000 0.350 251 F C 0.998 176.810 175.800 0.020 0.000 1.114 251 F CA -0.149 57.860 58.000 0.015 0.000 1.135 251 F CB 0.741 39.742 39.000 0.001 0.000 1.120 251 F HN -0.121 nan 8.300 nan 0.000 0.495 252 R N 3.554 124.126 120.500 0.120 0.000 2.626 252 R HA 0.493 4.833 4.340 0.000 0.000 0.274 252 R C -1.796 174.619 176.300 0.192 0.000 1.031 252 R CA -1.117 55.070 56.100 0.146 0.000 0.898 252 R CB 2.237 32.627 30.300 0.150 0.000 1.222 252 R HN 0.483 nan 8.270 nan 0.000 0.455 253 L N 1.553 122.871 121.223 0.159 0.000 2.282 253 L HA 0.372 4.712 4.340 0.000 0.000 0.288 253 L C 0.522 177.566 176.870 0.291 0.000 1.033 253 L CA -0.108 54.843 54.840 0.186 0.000 0.807 253 L CB 0.889 42.987 42.059 0.065 0.000 1.209 253 L HN 0.584 nan 8.230 nan 0.000 0.423 254 W N 0.712 122.040 121.300 0.048 0.000 3.047 254 W HA 0.096 4.756 4.660 0.000 0.000 0.250 254 W C 0.478 176.986 176.519 -0.019 0.000 1.314 254 W CA -0.575 56.865 57.345 0.159 0.000 1.540 254 W CB -0.870 28.800 29.460 0.350 0.000 1.127 254 W HN 0.477 nan 8.180 nan 0.000 0.679 255 N N -0.271 118.469 118.700 0.066 0.000 2.525 255 N HA 0.068 4.808 4.740 0.000 0.000 0.271 255 N C 1.386 176.734 175.510 -0.270 0.000 1.194 255 N CA 0.616 53.492 53.050 -0.289 0.000 0.964 255 N CB 1.155 39.592 38.487 -0.083 0.000 1.126 255 N HN -0.149 nan 8.380 nan 0.000 0.452 256 S N 1.414 116.903 115.700 -0.351 0.000 2.362 256 S HA -0.053 4.417 4.470 0.000 0.000 0.221 256 S C 0.342 174.840 174.600 -0.169 0.000 1.032 256 S CA 0.707 58.784 58.200 -0.206 0.000 0.973 256 S CB 0.012 63.115 63.200 -0.160 0.000 0.849 256 S HN 0.636 nan 8.310 nan 0.000 0.465 257 Q N -0.521 119.178 119.800 -0.168 0.000 2.451 257 Q HA 0.524 4.864 4.340 0.000 0.000 0.281 257 Q C 0.453 176.346 176.000 -0.179 0.000 1.099 257 Q CA -0.582 55.124 55.803 -0.161 0.000 0.806 257 Q CB 2.032 30.719 28.738 -0.085 0.000 1.419 257 Q HN 0.136 nan 8.270 nan 0.000 0.427 258 L N 0.475 121.588 121.223 -0.183 0.000 1.970 258 L HA -0.070 4.270 4.340 0.000 0.000 0.212 258 L C 0.769 177.514 176.870 -0.208 0.000 1.071 258 L CA 1.205 55.951 54.840 -0.157 0.000 0.751 258 L CB -0.067 41.908 42.059 -0.140 0.000 0.889 258 L HN 0.522 nan 8.230 nan 0.000 0.432 259 I N 0.282 120.651 120.570 -0.336 0.000 2.331 259 I HA 0.350 4.520 4.170 0.000 0.000 0.292 259 I C -0.161 175.372 176.117 -0.974 0.000 0.998 259 I CA -0.057 60.867 61.300 -0.627 0.000 1.267 259 I CB 1.171 38.704 38.000 -0.779 0.000 1.386 259 I HN 0.174 nan 8.210 nan 0.000 0.476 260 R N 4.664 124.702 120.500 -0.769 0.000 2.594 260 R HA 0.448 4.788 4.340 0.000 0.000 0.265 260 R C -1.721 174.370 176.300 -0.349 0.000 1.070 260 R CA -0.602 55.170 56.100 -0.546 0.000 0.909 260 R CB 1.291 31.466 30.300 -0.209 0.000 1.243 260 R HN 0.270 nan 8.270 nan 0.000 0.455 261 Y N 1.379 121.666 120.300 -0.022 0.000 2.301 261 Y HA 0.611 5.161 4.550 0.000 0.000 0.325 261 Y C 0.863 176.747 175.900 -0.027 0.000 1.203 261 Y CA -0.299 57.817 58.100 0.028 0.000 1.255 261 Y CB 1.311 39.859 38.460 0.148 0.000 1.232 261 Y HN 0.728 nan 8.280 nan 0.000 0.501 262 A N 1.147 124.026 122.820 0.099 0.000 2.304 262 A HA 0.700 5.020 4.320 0.000 0.000 0.271 262 A C 0.345 177.701 177.584 -0.381 0.000 1.091 262 A CA 0.141 52.048 52.037 -0.216 0.000 0.812 262 A CB -0.010 18.807 19.000 -0.305 0.000 1.056 262 A HN 0.902 nan 8.150 nan 0.000 0.489 263 G N -0.020 108.466 108.800 -0.524 0.000 2.666 263 G HA2 0.579 4.539 3.960 0.000 0.000 0.303 263 G HA3 0.579 4.539 3.960 0.000 0.000 0.303 263 G C -1.320 173.303 174.900 -0.462 0.000 1.412 263 G CA -0.277 44.579 45.100 -0.407 0.000 0.979 263 G HN 0.533 nan 8.290 nan 0.000 0.507 264 Y N 0.464 120.781 120.300 0.027 0.000 2.429 264 Y HA 0.445 4.995 4.550 0.000 0.000 0.342 264 Y C 0.476 176.421 175.900 0.076 0.000 1.004 264 Y CA -1.193 56.946 58.100 0.066 0.000 1.075 264 Y CB 2.590 41.132 38.460 0.137 0.000 1.214 264 Y HN 0.454 nan 8.280 nan 0.000 0.455 265 Q N 3.500 123.440 119.800 0.233 0.000 3.027 265 Q HA 0.210 4.550 4.340 0.000 0.000 0.260 265 Q C -0.532 175.558 176.000 0.150 0.000 1.379 265 Q CA -0.185 55.706 55.803 0.145 0.000 1.038 265 Q CB -0.179 28.620 28.738 0.102 0.000 1.578 265 Q HN 0.529 nan 8.270 nan 0.000 0.571 266 M N 2.433 122.123 119.600 0.150 0.000 2.214 266 M HA -0.073 4.407 4.480 0.000 0.000 0.306 266 M C -1.330 174.993 176.300 0.038 0.000 0.998 266 M CA -0.839 54.515 55.300 0.089 0.000 1.071 266 M CB -0.529 32.112 32.600 0.068 0.000 1.466 266 M HN 0.298 nan 8.290 nan 0.000 0.433 267 P HA -0.170 nan 4.420 nan 0.000 0.213 267 P C 0.357 177.653 177.300 -0.006 0.000 1.170 267 P CA 1.443 64.533 63.100 -0.018 0.000 0.902 267 P CB -0.172 31.499 31.700 -0.049 0.000 0.789 268 D N -1.130 119.266 120.400 -0.006 0.000 2.413 268 D HA -0.014 4.626 4.640 0.000 0.000 0.262 268 D C 1.370 177.675 176.300 0.008 0.000 1.254 268 D CA 0.986 54.985 54.000 -0.002 0.000 0.942 268 D CB -1.177 39.620 40.800 -0.004 0.000 0.937 268 D HN 0.338 nan 8.370 nan 0.000 0.508 269 G N 0.477 109.285 108.800 0.013 0.000 2.328 269 G HA2 -0.386 3.574 3.960 0.000 0.000 0.256 269 G HA3 -0.386 3.574 3.960 0.000 0.000 0.256 269 G C 0.791 175.705 174.900 0.023 0.000 1.014 269 G CA 0.995 46.105 45.100 0.018 0.000 0.620 269 G HN 0.743 nan 8.290 nan 0.000 0.530 270 T N -0.922 113.646 114.554 0.024 0.000 2.773 270 T HA 0.659 5.009 4.350 0.000 0.000 0.337 270 T C 0.426 175.147 174.700 0.036 0.000 1.086 270 T CA 0.295 62.411 62.100 0.026 0.000 0.998 270 T CB 1.212 70.094 68.868 0.024 0.000 1.281 270 T HN 0.608 nan 8.240 nan 0.000 0.525 271 I N 0.275 120.864 120.570 0.031 0.000 2.722 271 I HA 0.530 4.700 4.170 0.000 0.000 0.295 271 I C -0.359 175.774 176.117 0.027 0.000 1.161 271 I CA -0.738 60.582 61.300 0.033 0.000 1.032 271 I CB 2.333 40.332 38.000 -0.002 0.000 1.244 271 I HN 0.727 nan 8.210 nan 0.000 0.421 272 R N 1.854 122.398 120.500 0.072 0.000 2.670 272 R HA 0.751 5.091 4.340 0.000 0.000 0.289 272 R C 0.338 176.641 176.300 0.004 0.000 0.965 272 R CA 0.731 56.880 56.100 0.080 0.000 0.899 272 R CB 1.743 32.173 30.300 0.216 0.000 1.173 272 R HN 0.936 nan 8.270 nan 0.000 0.456 273 G N 2.429 111.150 108.800 -0.132 0.000 2.527 273 G HA2 -0.269 3.691 3.960 0.000 0.000 0.262 273 G HA3 -0.269 3.691 3.960 0.000 0.000 0.262 273 G C -1.098 173.390 174.900 -0.687 0.000 1.153 273 G CA 0.243 45.176 45.100 -0.277 0.000 0.954 273 G HN 0.640 nan 8.290 nan 0.000 0.552 274 D N 1.666 121.848 120.400 -0.364 0.000 2.427 274 D HA 0.669 5.309 4.640 0.000 0.000 0.226 274 D C 1.303 177.519 176.300 -0.140 0.000 1.076 274 D CA 0.633 54.472 54.000 -0.267 0.000 0.849 274 D CB 0.840 41.748 40.800 0.179 0.000 1.052 274 D HN 0.883 nan 8.370 nan 0.000 0.515 275 A N 3.471 126.201 122.820 -0.151 0.000 2.070 275 A HA -0.050 4.270 4.320 0.000 0.000 0.220 275 A C 1.993 179.574 177.584 -0.006 0.000 1.159 275 A CA 1.676 53.675 52.037 -0.064 0.000 0.656 275 A CB -0.188 18.783 19.000 -0.048 0.000 0.800 275 A HN 0.594 nan 8.150 nan 0.000 0.453 276 A N -0.306 122.533 122.820 0.031 0.000 1.968 276 A HA -0.004 4.316 4.320 0.000 0.000 0.217 276 A C 2.048 179.668 177.584 0.059 0.000 1.169 276 A CA 1.883 53.956 52.037 0.061 0.000 0.638 276 A CB -0.912 18.150 19.000 0.102 0.000 0.812 276 A HN 0.787 nan 8.150 nan 0.000 0.446 277 T N -2.432 112.153 114.554 0.051 0.000 3.273 277 T HA 0.435 4.785 4.350 0.000 0.000 0.254 277 T C 1.245 175.952 174.700 0.012 0.000 1.002 277 T CA -0.114 62.022 62.100 0.060 0.000 0.913 277 T CB -0.354 68.561 68.868 0.078 0.000 1.056 277 T HN 0.250 nan 8.240 nan 0.000 0.576 278 L N 0.606 121.825 121.223 -0.006 0.000 1.961 278 L HA -0.056 4.284 4.340 0.000 0.000 0.210 278 L C 2.983 179.834 176.870 -0.032 0.000 1.072 278 L CA 2.006 56.829 54.840 -0.030 0.000 0.749 278 L CB -0.441 41.614 42.059 -0.007 0.000 0.889 278 L HN 0.427 nan 8.230 nan 0.000 0.432 279 E N -0.370 119.821 120.200 -0.014 0.000 2.118 279 E HA -0.292 4.058 4.350 0.000 0.000 0.195 279 E C 2.138 178.661 176.600 -0.127 0.000 0.992 279 E CA 1.494 57.860 56.400 -0.058 0.000 0.804 279 E CB -0.088 29.592 29.700 -0.033 0.000 0.741 279 E HN 0.374 nan 8.360 nan 0.000 0.458 280 F N 1.130 120.924 119.950 -0.260 0.000 2.206 280 F HA -0.084 4.443 4.527 0.000 0.000 0.298 280 F C 2.298 177.951 175.800 -0.245 0.000 1.090 280 F CA 1.627 59.430 58.000 -0.329 0.000 1.323 280 F CB -0.567 38.284 39.000 -0.248 0.000 1.028 280 F HN -0.070 nan 8.300 nan 0.000 0.492 281 T N 0.097 114.506 114.554 -0.242 0.000 2.720 281 T HA -0.290 4.060 4.350 0.000 0.000 0.268 281 T C 1.760 176.316 174.700 -0.239 0.000 1.037 281 T CA 1.811 63.716 62.100 -0.325 0.000 1.144 281 T CB -0.345 68.370 68.868 -0.255 0.000 0.864 281 T HN 0.279 nan 8.240 nan 0.000 0.444 282 Q N 0.736 120.437 119.800 -0.165 0.000 2.030 282 Q HA -0.087 4.253 4.340 0.000 0.000 0.204 282 Q C 2.142 178.045 176.000 -0.162 0.000 0.986 282 Q CA 1.434 57.175 55.803 -0.103 0.000 0.843 282 Q CB -0.885 27.808 28.738 -0.075 0.000 0.904 282 Q HN 0.402 nan 8.270 nan 0.000 0.420 283 L N -0.159 120.905 121.223 -0.265 0.000 2.089 283 L HA -0.246 4.094 4.340 0.000 0.000 0.213 283 L C 2.245 178.948 176.870 -0.277 0.000 1.079 283 L CA 1.891 56.574 54.840 -0.263 0.000 0.758 283 L CB -0.854 41.006 42.059 -0.330 0.000 0.891 283 L HN 0.473 nan 8.230 nan 0.000 0.433 284 C N -0.889 118.146 119.300 -0.442 0.000 2.429 284 C HA -0.125 4.335 4.460 0.000 0.000 0.277 284 C C 2.679 177.649 174.990 -0.033 0.000 1.262 284 C CA 0.794 59.602 59.018 -0.351 0.000 1.733 284 C CB -0.869 26.501 27.740 -0.616 0.000 2.010 284 C HN 0.571 nan 8.230 nan 0.000 0.483 285 I N 1.132 121.722 120.570 0.034 0.000 2.202 285 I HA -0.177 3.993 4.170 0.000 0.000 0.242 285 I C 1.748 177.861 176.117 -0.006 0.000 1.091 285 I CA 1.573 62.920 61.300 0.079 0.000 1.368 285 I CB -0.560 37.480 38.000 0.066 0.000 1.058 285 I HN 0.247 nan 8.210 nan 0.000 0.410 286 D N 0.623 120.994 120.400 -0.049 0.000 2.384 286 D HA -0.060 4.580 4.640 0.000 0.000 0.222 286 D C 1.424 177.672 176.300 -0.086 0.000 0.976 286 D CA 0.983 54.940 54.000 -0.071 0.000 0.915 286 D CB -0.014 40.736 40.800 -0.084 0.000 0.896 286 D HN 0.349 nan 8.370 nan 0.000 0.523 287 L N -1.548 119.632 121.223 -0.073 0.000 2.959 287 L HA 0.335 4.675 4.340 0.000 0.000 0.259 287 L C 1.104 177.936 176.870 -0.064 0.000 1.185 287 L CA -0.031 54.760 54.840 -0.082 0.000 0.998 287 L CB 0.510 42.509 42.059 -0.099 0.000 1.337 287 L HN 0.075 nan 8.230 nan 0.000 0.555 288 G N -0.348 108.430 108.800 -0.036 0.000 2.131 288 G HA2 -0.295 3.665 3.960 0.000 0.000 0.223 288 G HA3 -0.295 3.665 3.960 0.000 0.000 0.223 288 G C -0.332 174.575 174.900 0.012 0.000 0.990 288 G CA -0.290 44.789 45.100 -0.034 0.000 0.671 288 G HN 0.352 nan 8.290 nan 0.000 0.521 289 W N 2.101 123.319 121.300 -0.137 0.000 2.261 289 W HA 0.687 5.347 4.660 0.000 0.000 0.323 289 W C 0.120 176.582 176.519 -0.096 0.000 1.243 289 W CA -1.127 56.142 57.345 -0.126 0.000 1.210 289 W CB 0.785 30.156 29.460 -0.148 0.000 1.149 289 W HN -0.088 nan 8.180 nan 0.000 0.562 290 K N 7.978 127.846 120.400 -0.888 0.000 2.262 290 K HA 0.172 4.492 4.320 0.000 0.000 0.288 290 K C -2.324 173.445 176.600 -1.385 0.000 1.090 290 K CA -1.964 53.820 56.287 -0.838 0.000 0.918 290 K CB 0.200 32.387 32.500 -0.523 0.000 1.139 290 K HN 0.317 nan 8.250 nan 0.000 0.462 291 P HA 0.138 nan 4.420 nan 0.000 0.268 291 P C -0.182 176.721 177.300 -0.663 0.000 1.282 291 P CA -0.135 62.377 63.100 -0.979 0.000 0.880 291 P CB 0.275 31.506 31.700 -0.782 0.000 0.971 292 R N 2.222 122.427 120.500 -0.492 0.000 2.340 292 R HA 0.006 4.346 4.340 0.000 0.000 0.215 292 R C 0.112 176.319 176.300 -0.155 0.000 1.017 292 R CA -0.247 55.734 56.100 -0.200 0.000 1.111 292 R CB -0.911 29.355 30.300 -0.056 0.000 1.049 292 R HN 0.404 nan 8.270 nan 0.000 0.490 293 Y N -0.195 119.754 120.300 -0.585 0.000 2.975 293 Y HA -0.340 4.210 4.550 0.000 0.000 0.218 293 Y C 1.279 176.874 175.900 -0.508 0.000 1.125 293 Y CA 0.650 58.135 58.100 -1.026 0.000 1.098 293 Y CB -1.498 36.590 38.460 -0.620 0.000 1.204 293 Y HN 0.328 nan 8.280 nan 0.000 0.568 294 G N 0.067 108.886 108.800 0.032 0.000 3.039 294 G HA2 0.509 4.469 3.960 0.000 0.000 0.159 294 G HA3 0.509 4.469 3.960 0.000 0.000 0.159 294 G C 0.848 175.930 174.900 0.304 0.000 1.284 294 G CA -0.240 44.987 45.100 0.213 0.000 0.996 294 G HN 0.267 nan 8.290 nan 0.000 0.592 295 R N -1.735 118.855 120.500 0.149 0.000 2.121 295 R HA 0.293 4.633 4.340 0.000 0.000 0.206 295 R C 0.048 176.117 176.300 -0.386 0.000 1.094 295 R CA 0.519 56.569 56.100 -0.082 0.000 1.055 295 R CB 0.099 30.362 30.300 -0.062 0.000 0.964 295 R HN 0.289 nan 8.270 nan 0.000 0.473 296 F N 2.626 122.535 119.950 -0.069 0.000 2.597 296 F HA 0.363 4.890 4.527 0.000 0.000 0.336 296 F C -1.008 174.753 175.800 -0.064 0.000 1.432 296 F CA -1.110 56.567 58.000 -0.538 0.000 1.120 296 F CB 0.952 39.536 39.000 -0.694 0.000 1.253 296 F HN -0.162 nan 8.300 nan 0.000 0.546 297 D N 1.721 122.307 120.400 0.309 0.000 2.365 297 D HA 0.152 4.792 4.640 0.000 0.000 0.237 297 D C 0.216 176.784 176.300 0.447 0.000 1.190 297 D CA 0.122 54.371 54.000 0.415 0.000 0.867 297 D CB 1.895 42.995 40.800 0.499 0.000 1.050 297 D HN -0.047 nan 8.370 nan 0.000 0.491 298 V N 4.099 124.256 119.914 0.406 0.000 2.475 298 V HA -0.081 4.039 4.120 0.000 0.000 0.292 298 V C 1.085 177.227 176.094 0.079 0.000 1.003 298 V CA 0.057 62.472 62.300 0.191 0.000 1.120 298 V CB -0.214 31.679 31.823 0.117 0.000 0.937 298 V HN 0.332 nan 8.190 nan 0.000 0.476 299 L N 8.647 129.806 121.223 -0.106 0.000 2.472 299 L HA 0.341 4.681 4.340 0.000 0.000 0.260 299 L C -1.712 174.970 176.870 -0.313 0.000 1.209 299 L CA -1.216 53.392 54.840 -0.387 0.000 0.817 299 L CB 0.435 42.300 42.059 -0.323 0.000 1.106 299 L HN 0.474 nan 8.230 nan 0.000 0.479 300 P HA 0.219 nan 4.420 nan 0.000 0.284 300 P C -1.114 176.114 177.300 -0.120 0.000 1.258 300 P CA -0.606 62.333 63.100 -0.269 0.000 0.824 300 P CB 1.040 32.508 31.700 -0.388 0.000 1.038 301 L N 1.744 122.952 121.223 -0.025 0.000 2.418 301 L HA 0.177 4.517 4.340 0.000 0.000 0.274 301 L C 0.277 177.186 176.870 0.065 0.000 1.135 301 L CA -0.444 54.421 54.840 0.043 0.000 0.870 301 L CB 0.555 42.649 42.059 0.059 0.000 1.154 301 L HN 0.109 nan 8.230 nan 0.000 0.462 302 V N 6.221 126.200 119.914 0.109 0.000 2.294 302 V HA 0.323 4.443 4.120 0.000 0.000 0.272 302 V C 0.178 176.267 176.094 -0.008 0.000 1.027 302 V CA -0.336 61.984 62.300 0.033 0.000 0.823 302 V CB 1.008 32.902 31.823 0.119 0.000 1.030 302 V HN 0.493 nan 8.190 nan 0.000 0.457 303 L N 4.818 126.024 121.223 -0.028 0.000 2.307 303 L HA 0.633 4.973 4.340 0.000 0.000 0.284 303 L C -0.084 176.681 176.870 -0.175 0.000 1.023 303 L CA -0.388 54.413 54.840 -0.065 0.000 0.810 303 L CB 1.618 43.644 42.059 -0.055 0.000 1.231 303 L HN 0.617 nan 8.230 nan 0.000 0.423 304 Q N 2.938 122.640 119.800 -0.163 0.000 2.333 304 Q HA 0.734 5.074 4.340 0.000 0.000 0.265 304 Q C -1.453 174.376 176.000 -0.285 0.000 0.989 304 Q CA -0.573 55.114 55.803 -0.193 0.000 0.842 304 Q CB 2.079 30.823 28.738 0.010 0.000 1.262 304 Q HN 0.790 nan 8.270 nan 0.000 0.451 305 A N 3.634 126.208 122.820 -0.411 0.000 2.365 305 A HA 0.471 4.791 4.320 0.000 0.000 0.318 305 A C -0.345 176.747 177.584 -0.819 0.000 1.091 305 A CA -0.207 51.276 52.037 -0.925 0.000 0.763 305 A CB 1.240 19.877 19.000 -0.605 0.000 1.248 305 A HN 1.020 nan 8.150 nan 0.000 0.442 306 D N 1.069 120.691 120.400 -1.297 0.000 2.751 306 D HA -0.122 4.518 4.640 0.000 0.000 0.233 306 D C 1.230 177.490 176.300 -0.067 0.000 1.149 306 D CA 2.738 56.539 54.000 -0.332 0.000 0.682 306 D CB -1.076 39.671 40.800 -0.088 0.000 1.068 306 D HN 2.182 nan 8.370 nan 0.000 0.429 307 G N -1.088 107.643 108.800 -0.116 0.000 2.196 307 G HA2 -0.400 3.560 3.960 0.000 0.000 0.268 307 G HA3 -0.400 3.560 3.960 0.000 0.000 0.268 307 G C 0.362 175.256 174.900 -0.009 0.000 0.975 307 G CA 0.822 45.894 45.100 -0.047 0.000 0.648 307 G HN 0.628 nan 8.290 nan 0.000 0.538 308 Q N 0.365 120.139 119.800 -0.044 0.000 2.317 308 Q HA 0.402 4.742 4.340 0.000 0.000 0.229 308 Q C -0.189 175.805 176.000 -0.009 0.000 0.984 308 Q CA -0.768 55.030 55.803 -0.008 0.000 0.911 308 Q CB 0.501 29.218 28.738 -0.035 0.000 1.217 308 Q HN 0.298 nan 8.270 nan 0.000 0.501 309 D N 2.592 122.998 120.400 0.010 0.000 2.506 309 D HA 0.027 4.667 4.640 0.000 0.000 0.234 309 D C -2.140 173.998 176.300 -0.271 0.000 1.143 309 D CA -0.707 53.227 54.000 -0.110 0.000 0.871 309 D CB 0.095 40.958 40.800 0.106 0.000 1.190 309 D HN 0.214 nan 8.370 nan 0.000 0.459 310 P HA 0.101 nan 4.420 nan 0.000 0.271 310 P C -0.697 176.398 177.300 -0.342 0.000 1.216 310 P CA -0.079 62.648 63.100 -0.622 0.000 0.771 310 P CB 0.881 31.763 31.700 -1.363 0.000 0.864 311 E N 1.082 121.152 120.200 -0.216 0.000 2.183 311 E HA 0.355 4.705 4.350 0.000 0.000 0.271 311 E C -0.590 175.848 176.600 -0.269 0.000 0.919 311 E CA -1.165 55.097 56.400 -0.230 0.000 0.781 311 E CB 1.929 31.524 29.700 -0.175 0.000 1.140 311 E HN 0.177 nan 8.360 nan 0.000 0.402 312 V N 3.840 123.506 119.914 -0.414 0.000 2.498 312 V HA 0.301 4.421 4.120 0.000 0.000 0.279 312 V C -0.594 175.140 176.094 -0.600 0.000 1.048 312 V CA -0.049 62.051 62.300 -0.332 0.000 0.967 312 V CB -0.063 31.629 31.823 -0.218 0.000 0.988 312 V HN 0.515 nan 8.190 nan 0.000 0.473 313 F N 1.945 121.695 119.950 -0.333 0.000 2.557 313 F HA 0.432 4.959 4.527 0.000 0.000 0.316 313 F C 0.367 175.937 175.800 -0.383 0.000 1.141 313 F CA -0.697 56.966 58.000 -0.562 0.000 0.922 313 F CB 1.593 39.824 39.000 -1.282 0.000 1.194 313 F HN 0.425 nan 8.300 nan 0.000 0.443 314 E N 3.562 123.739 120.200 -0.038 0.000 2.354 314 E HA 0.357 4.707 4.350 0.000 0.000 0.269 314 E C -0.463 176.243 176.600 0.177 0.000 1.036 314 E CA -0.432 56.029 56.400 0.101 0.000 0.876 314 E CB 1.474 31.280 29.700 0.176 0.000 1.009 314 E HN 0.458 nan 8.360 nan 0.000 0.416 315 I N 4.516 125.200 120.570 0.190 0.000 2.416 315 I HA 0.112 4.282 4.170 0.000 0.000 0.288 315 I C -2.054 174.189 176.117 0.211 0.000 1.051 315 I CA -2.086 59.365 61.300 0.251 0.000 1.375 315 I CB 0.385 38.476 38.000 0.151 0.000 1.407 315 I HN 0.177 nan 8.210 nan 0.000 0.516 316 P HA 0.060 nan 4.420 nan 0.000 0.260 316 P C -1.991 175.375 177.300 0.110 0.000 1.207 316 P CA -0.793 62.397 63.100 0.150 0.000 0.780 316 P CB 0.145 31.913 31.700 0.114 0.000 0.789 317 P HA -0.249 nan 4.420 nan 0.000 0.218 317 P C 0.507 177.850 177.300 0.072 0.000 1.150 317 P CA 1.530 64.686 63.100 0.092 0.000 0.841 317 P CB -0.076 31.679 31.700 0.091 0.000 0.784 318 D N -1.371 119.066 120.400 0.062 0.000 2.218 318 D HA -0.108 4.532 4.640 0.000 0.000 0.204 318 D C 1.738 178.064 176.300 0.043 0.000 0.976 318 D CA 0.752 54.780 54.000 0.046 0.000 0.853 318 D CB -0.517 40.305 40.800 0.037 0.000 0.939 318 D HN 0.198 nan 8.370 nan 0.000 0.481 319 L N 0.291 121.545 121.223 0.050 0.000 2.179 319 L HA 0.024 4.364 4.340 0.000 0.000 0.208 319 L C 0.439 177.342 176.870 0.055 0.000 1.096 319 L CA 0.269 55.138 54.840 0.048 0.000 0.779 319 L CB 0.068 42.155 42.059 0.047 0.000 0.922 319 L HN -0.062 nan 8.230 nan 0.000 0.443 320 V N 2.513 122.462 119.914 0.059 0.000 2.326 320 V HA 0.049 4.169 4.120 0.000 0.000 0.249 320 V C 0.184 176.319 176.094 0.070 0.000 1.114 320 V CA -0.350 61.986 62.300 0.060 0.000 1.028 320 V CB 0.308 32.164 31.823 0.055 0.000 1.170 320 V HN 0.076 nan 8.190 nan 0.000 0.494 321 L N 5.485 126.752 121.223 0.073 0.000 2.380 321 L HA 0.447 4.787 4.340 0.000 0.000 0.273 321 L C 0.167 177.077 176.870 0.067 0.000 1.138 321 L CA 0.747 55.620 54.840 0.056 0.000 0.832 321 L CB 0.540 42.628 42.059 0.048 0.000 1.124 321 L HN 0.665 nan 8.230 nan 0.000 0.454 322 E N 3.189 123.401 120.200 0.021 0.000 2.369 322 E HA 0.585 4.935 4.350 0.000 0.000 0.270 322 E C -1.514 175.019 176.600 -0.113 0.000 0.909 322 E CA -1.036 55.364 56.400 0.000 0.000 0.775 322 E CB 2.468 32.192 29.700 0.040 0.000 1.270 322 E HN 0.378 nan 8.360 nan 0.000 0.445 323 V N 1.662 121.465 119.914 -0.186 0.000 2.448 323 V HA 0.282 4.402 4.120 0.000 0.000 0.295 323 V C -0.314 175.696 176.094 -0.140 0.000 1.025 323 V CA -0.664 61.459 62.300 -0.294 0.000 0.859 323 V CB 1.852 33.218 31.823 -0.762 0.000 0.988 323 V HN 0.697 nan 8.190 nan 0.000 0.431 324 T N 6.470 120.961 114.554 -0.104 0.000 2.817 324 T HA 0.386 4.736 4.350 0.000 0.000 0.293 324 T C 0.147 174.861 174.700 0.024 0.000 0.964 324 T CA -0.521 61.551 62.100 -0.047 0.000 1.085 324 T CB 0.594 69.438 68.868 -0.040 0.000 0.921 324 T HN 0.350 nan 8.240 nan 0.000 0.502 325 M N 3.816 123.476 119.600 0.101 0.000 2.184 325 M HA 0.281 4.761 4.480 0.000 0.000 0.351 325 M C 0.368 176.844 176.300 0.294 0.000 1.395 325 M CA 0.198 55.642 55.300 0.239 0.000 1.117 325 M CB -0.557 32.277 32.600 0.390 0.000 1.708 325 M HN 0.609 nan 8.290 nan 0.000 0.468 326 E N 1.477 121.813 120.200 0.226 0.000 2.263 326 E HA 0.262 4.612 4.350 0.000 0.000 0.268 326 E C -1.062 175.596 176.600 0.097 0.000 0.884 326 E CA -0.655 55.875 56.400 0.217 0.000 0.766 326 E CB 2.225 32.027 29.700 0.170 0.000 1.196 326 E HN 0.460 nan 8.360 nan 0.000 0.416 327 H N 4.452 123.418 119.070 -0.174 0.000 2.502 327 H HA 0.186 4.742 4.556 0.000 0.000 0.327 327 H C -1.761 173.328 175.328 -0.398 0.000 1.099 327 H CA -2.299 53.463 56.048 -0.478 0.000 1.323 327 H CB 1.406 30.735 29.762 -0.723 0.000 1.450 327 H HN 0.343 nan 8.280 nan 0.000 0.502 328 P HA -0.035 nan 4.420 nan 0.000 0.239 328 P C 0.337 177.527 177.300 -0.184 0.000 1.184 328 P CA 0.733 63.570 63.100 -0.437 0.000 0.760 328 P CB 0.799 32.035 31.700 -0.772 0.000 0.884 329 K N -1.192 119.095 120.400 -0.189 0.000 2.606 329 K HA 0.134 4.454 4.320 0.000 0.000 0.199 329 K C 0.841 177.318 176.600 -0.205 0.000 1.403 329 K CA 0.305 56.431 56.287 -0.267 0.000 1.011 329 K CB -0.123 32.144 32.500 -0.389 0.000 1.623 329 K HN 0.228 nan 8.250 nan 0.000 0.512 330 Y N 3.432 123.301 120.300 -0.718 0.000 2.620 330 Y HA 0.087 4.637 4.550 0.000 0.000 0.352 330 Y C 1.147 176.667 175.900 -0.635 0.000 1.140 330 Y CA -0.433 57.169 58.100 -0.829 0.000 1.529 330 Y CB 0.148 37.744 38.460 -1.440 0.000 1.321 330 Y HN 0.120 nan 8.280 nan 0.000 0.501 331 E N 3.395 123.503 120.200 -0.154 0.000 2.265 331 E HA -0.193 4.157 4.350 0.000 0.000 0.196 331 E C 1.404 178.027 176.600 0.038 0.000 0.996 331 E CA 0.917 57.303 56.400 -0.024 0.000 0.832 331 E CB -0.031 29.698 29.700 0.047 0.000 0.756 331 E HN 0.846 nan 8.360 nan 0.000 0.491 332 W N -0.413 120.979 121.300 0.153 0.000 3.077 332 W HA 0.020 4.680 4.660 0.000 0.000 0.245 332 W C 1.166 177.771 176.519 0.143 0.000 1.316 332 W CA -0.323 57.086 57.345 0.106 0.000 1.537 332 W CB -0.692 28.794 29.460 0.043 0.000 1.131 332 W HN -0.052 nan 8.180 nan 0.000 0.695 333 F N 3.611 123.395 119.950 -0.276 0.000 2.146 333 F HA -0.279 4.248 4.527 0.000 0.000 0.298 333 F C 2.727 178.552 175.800 0.042 0.000 1.096 333 F CA 2.762 60.662 58.000 -0.167 0.000 1.275 333 F CB -0.353 38.480 39.000 -0.280 0.000 1.008 333 F HN -0.084 nan 8.300 nan 0.000 0.480 334 Q N 0.499 120.403 119.800 0.174 0.000 2.364 334 Q HA -0.193 4.147 4.340 0.000 0.000 0.209 334 Q C 1.355 177.391 176.000 0.061 0.000 0.977 334 Q CA 1.757 57.627 55.803 0.111 0.000 0.885 334 Q CB -1.385 27.419 28.738 0.110 0.000 0.941 334 Q HN 0.512 nan 8.270 nan 0.000 0.464 335 E N 0.202 120.458 120.200 0.093 0.000 2.418 335 E HA -0.007 4.343 4.350 0.000 0.000 0.197 335 E C 1.493 178.120 176.600 0.045 0.000 1.026 335 E CA 0.448 56.901 56.400 0.089 0.000 0.862 335 E CB -0.099 29.688 29.700 0.145 0.000 0.799 335 E HN 0.424 nan 8.360 nan 0.000 0.518 336 L N -0.305 120.903 121.223 -0.024 0.000 2.291 336 L HA 0.028 4.368 4.340 0.000 0.000 0.214 336 L C 1.321 178.170 176.870 -0.035 0.000 1.120 336 L CA 0.452 55.238 54.840 -0.090 0.000 0.799 336 L CB -0.334 41.530 42.059 -0.326 0.000 0.925 336 L HN 0.210 nan 8.230 nan 0.000 0.446 337 G N 1.365 110.156 108.800 -0.015 0.000 2.333 337 G HA2 -0.268 3.692 3.960 0.000 0.000 0.296 337 G HA3 -0.268 3.692 3.960 0.000 0.000 0.296 337 G C -0.205 174.731 174.900 0.059 0.000 1.059 337 G CA 0.009 45.129 45.100 0.033 0.000 1.050 337 G HN 0.220 nan 8.290 nan 0.000 0.508 338 L N -0.682 120.518 121.223 -0.039 0.000 2.330 338 L HA 0.903 5.243 4.340 0.000 0.000 0.271 338 L C 0.532 177.293 176.870 -0.182 0.000 1.013 338 L CA -0.903 53.898 54.840 -0.065 0.000 0.816 338 L CB 2.091 44.018 42.059 -0.220 0.000 1.287 338 L HN 0.576 nan 8.230 nan 0.000 0.435 339 K N 0.047 120.229 120.400 -0.362 0.000 2.614 339 K HA 0.501 4.821 4.320 0.000 0.000 0.293 339 K C -2.104 174.598 176.600 0.170 0.000 1.045 339 K CA -1.068 55.108 56.287 -0.186 0.000 0.880 339 K CB 2.159 34.411 32.500 -0.414 0.000 1.552 339 K HN 0.576 nan 8.250 nan 0.000 0.404 340 W N 1.601 122.905 121.300 0.007 0.000 3.275 340 W HA 0.300 4.960 4.660 0.000 0.000 0.306 340 W C -1.410 175.150 176.519 0.069 0.000 1.259 340 W CA -0.757 56.652 57.345 0.107 0.000 1.194 340 W CB 1.483 30.863 29.460 -0.134 0.000 1.375 340 W HN 0.679 nan 8.180 nan 0.000 0.564 341 Y N 1.250 121.439 120.300 -0.186 0.000 2.411 341 Y HA 0.483 5.033 4.550 0.000 0.000 0.333 341 Y C 0.779 176.876 175.900 0.328 0.000 1.186 341 Y CA 0.217 58.306 58.100 -0.019 0.000 1.381 341 Y CB 0.258 38.590 38.460 -0.214 0.000 1.273 341 Y HN 0.347 nan 8.280 nan 0.000 0.546 342 A N 3.146 126.208 122.820 0.404 0.000 2.238 342 A HA 0.160 4.480 4.320 0.000 0.000 0.208 342 A C 0.201 178.144 177.584 0.598 0.000 1.177 342 A CA 0.040 52.398 52.037 0.536 0.000 0.804 342 A CB -0.359 18.807 19.000 0.277 0.000 0.823 342 A HN 0.666 nan 8.150 nan 0.000 0.482 343 L N 1.738 123.295 121.223 0.556 0.000 2.301 343 L HA 0.431 4.771 4.340 0.000 0.000 0.278 343 L C -2.647 174.403 176.870 0.301 0.000 1.022 343 L CA -2.172 52.885 54.840 0.363 0.000 0.854 343 L CB 1.774 43.975 42.059 0.236 0.000 1.226 343 L HN -0.078 nan 8.230 nan 0.000 0.429 344 P HA 0.357 nan 4.420 nan 0.000 0.288 344 P C -1.350 175.878 177.300 -0.121 0.000 1.363 344 P CA -0.283 62.679 63.100 -0.229 0.000 0.837 344 P CB 1.354 32.535 31.700 -0.866 0.000 0.981 345 A N 4.528 127.292 122.820 -0.093 0.000 2.410 345 A HA 0.415 4.735 4.320 0.000 0.000 0.289 345 A C -0.260 177.135 177.584 -0.316 0.000 1.200 345 A CA -0.688 51.237 52.037 -0.187 0.000 0.751 345 A CB 0.984 19.902 19.000 -0.136 0.000 1.161 345 A HN 0.294 nan 8.150 nan 0.000 0.459 346 V N 2.225 121.807 119.914 -0.553 0.000 2.521 346 V HA 0.320 4.440 4.120 0.000 0.000 0.286 346 V C 1.251 176.920 176.094 -0.708 0.000 1.034 346 V CA 1.179 63.073 62.300 -0.677 0.000 1.045 346 V CB 1.018 32.238 31.823 -1.004 0.000 0.974 346 V HN 1.100 nan 8.190 nan 0.000 0.480 347 A N 4.240 126.817 122.820 -0.405 0.000 2.287 347 A HA 0.150 4.470 4.320 0.000 0.000 0.214 347 A C 1.301 178.781 177.584 -0.172 0.000 1.228 347 A CA 0.282 52.153 52.037 -0.277 0.000 0.939 347 A CB 0.010 18.900 19.000 -0.182 0.000 0.992 347 A HN 0.815 nan 8.150 nan 0.000 0.502 348 N N -0.404 118.199 118.700 -0.162 0.000 2.238 348 N HA 0.235 4.975 4.740 0.000 0.000 0.222 348 N C -0.072 175.425 175.510 -0.020 0.000 1.133 348 N CA -0.092 52.908 53.050 -0.084 0.000 0.854 348 N CB -0.281 38.143 38.487 -0.105 0.000 1.041 348 N HN 0.368 nan 8.380 nan 0.000 0.510 349 M N 0.512 120.102 119.600 -0.018 0.000 2.444 349 M HA 0.351 4.831 4.480 0.000 0.000 0.319 349 M C -0.461 175.949 176.300 0.183 0.000 1.183 349 M CA -0.895 54.467 55.300 0.105 0.000 1.032 349 M CB 2.301 34.974 32.600 0.122 0.000 1.569 349 M HN 0.056 nan 8.290 nan 0.000 0.468 350 L N 3.079 124.447 121.223 0.242 0.000 2.282 350 L HA 0.500 4.840 4.340 0.000 0.000 0.288 350 L C -1.285 175.810 176.870 0.376 0.000 1.033 350 L CA -0.976 54.030 54.840 0.276 0.000 0.807 350 L CB 1.092 43.276 42.059 0.207 0.000 1.209 350 L HN 0.587 nan 8.230 nan 0.000 0.423 351 L N 5.355 126.812 121.223 0.390 0.000 2.265 351 L HA 0.409 4.749 4.340 0.000 0.000 0.288 351 L C -0.322 176.725 176.870 0.295 0.000 1.058 351 L CA 0.387 55.428 54.840 0.334 0.000 0.809 351 L CB 0.924 43.160 42.059 0.294 0.000 1.179 351 L HN 0.619 nan 8.230 nan 0.000 0.429 352 E N 4.948 125.279 120.200 0.218 0.000 2.151 352 E HA 0.487 4.837 4.350 0.000 0.000 0.275 352 E C -1.846 174.786 176.600 0.054 0.000 0.936 352 E CA -0.390 56.113 56.400 0.171 0.000 0.777 352 E CB 1.816 31.694 29.700 0.297 0.000 1.108 352 E HN 0.516 nan 8.360 nan 0.000 0.401 353 V N 3.333 123.240 119.914 -0.013 0.000 2.737 353 V HA 0.466 4.586 4.120 0.000 0.000 0.298 353 V C 0.202 176.169 176.094 -0.211 0.000 1.163 353 V CA 0.451 62.643 62.300 -0.180 0.000 0.925 353 V CB 1.288 32.921 31.823 -0.316 0.000 1.037 353 V HN 0.867 nan 8.190 nan 0.000 0.433 354 G N 4.503 113.216 108.800 -0.146 0.000 2.390 354 G HA2 0.091 4.051 3.960 0.000 0.000 0.299 354 G HA3 0.091 4.051 3.960 0.000 0.000 0.299 354 G C 1.590 176.619 174.900 0.215 0.000 1.002 354 G CA 1.428 46.597 45.100 0.115 0.000 0.979 354 G HN 2.730 nan 8.290 nan 0.000 0.513 355 G N -1.935 106.926 108.800 0.101 0.000 2.284 355 G HA2 -0.257 3.703 3.960 0.000 0.000 0.247 355 G HA3 -0.257 3.703 3.960 0.000 0.000 0.247 355 G C 0.580 175.501 174.900 0.036 0.000 1.012 355 G CA 0.560 45.753 45.100 0.155 0.000 0.618 355 G HN 1.307 nan 8.290 nan 0.000 0.521 356 L N 0.699 121.889 121.223 -0.055 0.000 2.399 356 L HA 0.667 5.007 4.340 0.000 0.000 0.266 356 L C 0.329 177.057 176.870 -0.236 0.000 1.114 356 L CA -0.452 54.251 54.840 -0.230 0.000 0.804 356 L CB 1.088 42.902 42.059 -0.409 0.000 1.146 356 L HN 0.217 nan 8.230 nan 0.000 0.451 357 E N 1.773 121.761 120.200 -0.354 0.000 2.256 357 E HA 0.416 4.766 4.350 0.000 0.000 0.268 357 E C -1.606 174.771 176.600 -0.372 0.000 0.877 357 E CA -0.443 55.826 56.400 -0.218 0.000 0.757 357 E CB 2.171 31.801 29.700 -0.117 0.000 1.183 357 E HN 0.269 nan 8.360 nan 0.000 0.418 358 F N 2.894 122.860 119.950 0.026 0.000 2.359 358 F HA 0.301 4.828 4.527 0.000 0.000 0.370 358 F C -1.836 174.027 175.800 0.104 0.000 1.077 358 F CA -2.087 55.947 58.000 0.057 0.000 1.136 358 F CB 1.483 40.513 39.000 0.049 0.000 1.387 358 F HN 0.342 nan 8.300 nan 0.000 0.468 359 P HA -0.031 nan 4.420 nan 0.000 0.234 359 P C -0.214 177.211 177.300 0.209 0.000 1.167 359 P CA 0.621 63.828 63.100 0.179 0.000 0.763 359 P CB 0.428 32.206 31.700 0.129 0.000 0.835 360 A N 0.076 123.072 122.820 0.294 0.000 2.446 360 A HA 0.565 4.885 4.320 0.000 0.000 0.282 360 A C -0.433 177.394 177.584 0.404 0.000 1.102 360 A CA -0.445 51.784 52.037 0.320 0.000 0.737 360 A CB 0.385 19.572 19.000 0.312 0.000 1.212 360 A HN 0.220 nan 8.150 nan 0.000 0.434 361 C N 0.904 120.370 119.300 0.277 0.000 3.079 361 C HA 0.466 4.926 4.460 0.000 0.000 0.246 361 C C -2.842 172.209 174.990 0.102 0.000 1.025 361 C CA -1.417 57.713 59.018 0.186 0.000 1.081 361 C CB -0.316 27.534 27.740 0.183 0.000 1.757 361 C HN 0.598 nan 8.230 nan 0.000 0.646 362 P HA 0.376 nan 4.420 nan 0.000 0.268 362 P C -0.623 176.569 177.300 -0.180 0.000 1.204 362 P CA 0.926 63.897 63.100 -0.214 0.000 0.768 362 P CB 0.606 32.185 31.700 -0.201 0.000 0.842 363 F N 0.404 120.216 119.950 -0.229 0.000 2.626 363 F HA 0.684 5.212 4.527 0.000 0.000 0.311 363 F C -0.835 174.850 175.800 -0.192 0.000 1.088 363 F CA -1.167 56.715 58.000 -0.197 0.000 0.949 363 F CB 1.692 40.463 39.000 -0.381 0.000 1.322 363 F HN 0.379 nan 8.300 nan 0.000 0.461 364 N N -0.100 118.685 118.700 0.141 0.000 2.610 364 N HA 0.744 5.484 4.740 0.000 0.000 0.264 364 N C -1.275 174.174 175.510 -0.101 0.000 1.348 364 N CA -0.411 52.652 53.050 0.021 0.000 0.819 364 N CB 1.941 40.493 38.487 0.110 0.000 1.521 364 N HN 1.105 nan 8.380 nan 0.000 0.497 365 G N -0.936 107.772 108.800 -0.154 0.000 3.195 365 G HA2 0.655 4.615 3.960 0.000 0.000 0.217 365 G HA3 0.655 4.615 3.960 0.000 0.000 0.217 365 G C -1.799 173.071 174.900 -0.050 0.000 1.166 365 G CA -0.761 44.177 45.100 -0.270 0.000 0.812 365 G HN 0.695 nan 8.290 nan 0.000 0.617 366 W N -1.505 119.797 121.300 0.002 0.000 2.736 366 W HA 0.822 5.482 4.660 0.000 0.000 0.355 366 W C -1.269 175.239 176.519 -0.019 0.000 1.102 366 W CA -2.071 55.287 57.345 0.022 0.000 1.164 366 W CB 0.414 29.922 29.460 0.080 0.000 1.422 366 W HN 0.396 nan 8.180 nan 0.000 0.572 367 Y N 2.196 122.672 120.300 0.293 0.000 2.379 367 Y HA 0.241 4.791 4.550 0.000 0.000 0.337 367 Y C 0.625 176.551 175.900 0.045 0.000 1.238 367 Y CA -0.591 57.556 58.100 0.078 0.000 1.405 367 Y CB 1.074 39.490 38.460 -0.073 0.000 1.310 367 Y HN 0.417 nan 8.280 nan 0.000 0.569 368 M N 2.661 122.395 119.600 0.224 0.000 2.167 368 M HA 0.340 4.820 4.480 0.000 0.000 0.333 368 M C 1.067 177.331 176.300 -0.059 0.000 1.030 368 M CA -0.204 55.147 55.300 0.085 0.000 0.963 368 M CB 1.244 33.883 32.600 0.065 0.000 1.589 368 M HN 0.859 nan 8.290 nan 0.000 0.431 369 G N 1.998 110.708 108.800 -0.150 0.000 2.679 369 G HA2 -0.382 3.578 3.960 0.000 0.000 0.222 369 G HA3 -0.382 3.578 3.960 0.000 0.000 0.222 369 G C 1.137 175.851 174.900 -0.310 0.000 1.164 369 G CA 2.149 47.085 45.100 -0.273 0.000 0.769 369 G HN 0.871 nan 8.290 nan 0.000 0.610 370 T N -0.978 113.399 114.554 -0.294 0.000 2.849 370 T HA -0.099 4.251 4.350 0.000 0.000 0.270 370 T C 1.989 176.503 174.700 -0.311 0.000 1.066 370 T CA 1.840 63.731 62.100 -0.348 0.000 1.130 370 T CB -0.141 68.462 68.868 -0.442 0.000 0.864 370 T HN 0.384 nan 8.240 nan 0.000 0.481 371 E N 1.423 121.464 120.200 -0.266 0.000 2.077 371 E HA -0.045 4.305 4.350 0.000 0.000 0.193 371 E C 1.864 178.169 176.600 -0.491 0.000 0.989 371 E CA 1.244 57.497 56.400 -0.246 0.000 0.800 371 E CB -0.514 29.175 29.700 -0.019 0.000 0.746 371 E HN 0.715 nan 8.360 nan 0.000 0.452 372 I N -0.653 119.476 120.570 -0.734 0.000 2.260 372 I HA -0.012 4.158 4.170 0.000 0.000 0.237 372 I C 2.430 177.952 176.117 -0.991 0.000 1.075 372 I CA 0.944 61.513 61.300 -1.219 0.000 1.376 372 I CB -0.750 36.464 38.000 -1.309 0.000 1.107 372 I HN 0.240 nan 8.210 nan 0.000 0.420 373 G N 0.642 109.119 108.800 -0.540 0.000 2.440 373 G HA2 -0.171 3.789 3.960 0.000 0.000 0.218 373 G HA3 -0.171 3.789 3.960 0.000 0.000 0.218 373 G C 1.594 176.434 174.900 -0.099 0.000 1.154 373 G CA 1.390 46.389 45.100 -0.168 0.000 0.767 373 G HN 0.251 nan 8.290 nan 0.000 0.552 374 V N 0.145 119.938 119.914 -0.202 0.000 2.403 374 V HA 0.074 4.194 4.120 0.000 0.000 0.239 374 V C 2.816 178.830 176.094 -0.134 0.000 1.041 374 V CA 1.030 63.246 62.300 -0.141 0.000 1.051 374 V CB -0.341 31.373 31.823 -0.182 0.000 0.704 374 V HN 0.113 nan 8.190 nan 0.000 0.472 375 R N 0.805 121.185 120.500 -0.201 0.000 2.055 375 R HA -0.039 4.301 4.340 0.000 0.000 0.228 375 R C 1.996 178.211 176.300 -0.141 0.000 1.143 375 R CA 1.554 57.559 56.100 -0.158 0.000 0.945 375 R CB -1.142 29.056 30.300 -0.171 0.000 0.841 375 R HN 0.487 nan 8.270 nan 0.000 0.429 376 D N 0.435 120.638 120.400 -0.328 0.000 2.097 376 D HA -0.131 4.509 4.640 0.000 0.000 0.195 376 D C 1.928 178.194 176.300 -0.057 0.000 0.989 376 D CA 1.174 54.950 54.000 -0.372 0.000 0.827 376 D CB -0.229 39.807 40.800 -1.274 0.000 0.966 376 D HN 0.087 nan 8.370 nan 0.000 0.456 377 F N 0.423 120.274 119.950 -0.164 0.000 2.270 377 F HA 0.005 4.532 4.527 0.000 0.000 0.295 377 F C 2.449 178.294 175.800 0.075 0.000 1.087 377 F CA -0.114 57.883 58.000 -0.006 0.000 1.365 377 F CB -0.703 38.275 39.000 -0.037 0.000 1.056 377 F HN 0.042 nan 8.300 nan 0.000 0.506 378 C N -1.248 118.173 119.300 0.202 0.000 2.865 378 C HA 0.168 4.628 4.460 0.000 0.000 0.280 378 C C 0.449 175.490 174.990 0.084 0.000 1.255 378 C CA -0.701 58.397 59.018 0.133 0.000 1.705 378 C CB -0.685 27.104 27.740 0.082 0.000 2.080 378 C HN 0.090 nan 8.230 nan 0.000 0.591 379 D N 1.723 122.162 120.400 0.065 0.000 2.488 379 D HA 0.053 4.693 4.640 0.000 0.000 0.238 379 D C 1.552 177.893 176.300 0.068 0.000 1.138 379 D CA 0.557 54.583 54.000 0.042 0.000 0.873 379 D CB 0.928 41.746 40.800 0.029 0.000 1.183 379 D HN 0.413 nan 8.370 nan 0.000 0.458 380 T N -0.343 114.240 114.554 0.048 0.000 2.915 380 T HA -0.221 4.129 4.350 0.000 0.000 0.269 380 T C 1.311 176.040 174.700 0.050 0.000 1.071 380 T CA 0.861 62.994 62.100 0.054 0.000 1.132 380 T CB -0.023 68.870 68.868 0.042 0.000 0.878 380 T HN 0.489 nan 8.240 nan 0.000 0.479 381 Q N 0.444 120.270 119.800 0.043 0.000 2.403 381 Q HA 0.142 4.482 4.340 0.000 0.000 0.203 381 Q C 0.870 176.897 176.000 0.044 0.000 0.932 381 Q CA -0.052 55.774 55.803 0.038 0.000 0.945 381 Q CB 0.129 28.887 28.738 0.033 0.000 1.045 381 Q HN 0.398 nan 8.270 nan 0.000 0.511 382 R N -0.309 120.235 120.500 0.072 0.000 3.006 382 R HA 0.248 4.588 4.340 0.000 0.000 0.150 382 R C 1.532 177.878 176.300 0.078 0.000 1.285 382 R CA -0.484 55.681 56.100 0.108 0.000 0.813 382 R CB -1.179 29.248 30.300 0.213 0.000 1.582 382 R HN 0.035 nan 8.270 nan 0.000 0.441 383 Y N 1.544 121.953 120.300 0.181 0.000 2.352 383 Y HA -0.131 4.419 4.550 0.000 0.000 0.292 383 Y C 0.781 176.759 175.900 0.131 0.000 1.136 383 Y CA 1.259 59.469 58.100 0.184 0.000 1.227 383 Y CB -0.322 38.332 38.460 0.324 0.000 0.991 383 Y HN 0.479 nan 8.280 nan 0.000 0.545 384 N N 0.567 119.415 118.700 0.247 0.000 2.705 384 N HA -0.230 4.510 4.740 0.000 0.000 0.255 384 N C 0.301 175.910 175.510 0.165 0.000 1.008 384 N CA 0.840 53.990 53.050 0.168 0.000 0.742 384 N CB -1.403 37.150 38.487 0.110 0.000 0.906 384 N HN 0.667 nan 8.380 nan 0.000 0.541 385 I N -3.336 117.347 120.570 0.188 0.000 3.812 385 I HA 0.100 4.270 4.170 0.000 0.000 0.320 385 I C 1.669 177.879 176.117 0.155 0.000 1.276 385 I CA -0.374 61.008 61.300 0.136 0.000 1.164 385 I CB -0.081 37.955 38.000 0.061 0.000 1.009 385 I HN 0.129 nan 8.210 nan 0.000 0.431 386 L N 1.899 123.232 121.223 0.183 0.000 1.970 386 L HA -0.233 4.107 4.340 0.000 0.000 0.212 386 L C 2.587 179.675 176.870 0.363 0.000 1.071 386 L CA 2.400 57.380 54.840 0.233 0.000 0.751 386 L CB -0.824 41.328 42.059 0.155 0.000 0.889 386 L HN 0.543 nan 8.230 nan 0.000 0.432 387 E N -0.751 119.664 120.200 0.359 0.000 2.058 387 E HA -0.334 4.016 4.350 0.000 0.000 0.194 387 E C 2.114 178.750 176.600 0.061 0.000 0.997 387 E CA 1.617 58.177 56.400 0.266 0.000 0.801 387 E CB -0.202 29.573 29.700 0.125 0.000 0.746 387 E HN 0.640 nan 8.360 nan 0.000 0.450 388 E N -0.185 120.052 120.200 0.062 0.000 2.070 388 E HA -0.193 4.157 4.350 0.000 0.000 0.197 388 E C 1.988 178.591 176.600 0.005 0.000 1.004 388 E CA 1.764 58.164 56.400 -0.001 0.000 0.805 388 E CB -0.000 29.708 29.700 0.014 0.000 0.744 388 E HN 0.197 nan 8.360 nan 0.000 0.451 389 V N 0.320 120.316 119.914 0.137 0.000 2.809 389 V HA -0.095 4.025 4.120 0.000 0.000 0.256 389 V C 2.126 178.360 176.094 0.233 0.000 1.080 389 V CA 1.512 63.978 62.300 0.276 0.000 1.102 389 V CB -0.433 31.647 31.823 0.429 0.000 0.705 389 V HN 0.507 nan 8.190 nan 0.000 0.475 390 G N -0.016 108.893 108.800 0.182 0.000 2.404 390 G HA2 -0.174 3.786 3.960 0.000 0.000 0.214 390 G HA3 -0.174 3.786 3.960 0.000 0.000 0.214 390 G C 1.731 176.567 174.900 -0.108 0.000 1.189 390 G CA 0.397 45.573 45.100 0.127 0.000 0.789 390 G HN 0.385 nan 8.290 nan 0.000 0.533 391 R N 0.042 120.412 120.500 -0.216 0.000 2.094 391 R HA -0.051 4.289 4.340 0.000 0.000 0.239 391 R C 2.736 178.826 176.300 -0.350 0.000 1.137 391 R CA 1.230 57.166 56.100 -0.274 0.000 0.943 391 R CB -0.294 29.855 30.300 -0.251 0.000 0.850 391 R HN 0.150 nan 8.270 nan 0.000 0.433 392 R N 0.379 120.569 120.500 -0.517 0.000 2.211 392 R HA -0.108 4.232 4.340 0.000 0.000 0.240 392 R C 1.944 177.723 176.300 -0.868 0.000 1.144 392 R CA 1.266 56.749 56.100 -1.027 0.000 0.992 392 R CB -0.340 28.744 30.300 -2.026 0.000 0.869 392 R HN 0.392 nan 8.270 nan 0.000 0.462 393 M N -0.769 118.603 119.600 -0.381 0.000 2.541 393 M HA 0.124 4.604 4.480 0.000 0.000 0.252 393 M C 0.627 176.846 176.300 -0.134 0.000 1.125 393 M CA 0.698 55.910 55.300 -0.147 0.000 1.091 393 M CB 0.454 33.126 32.600 0.120 0.000 1.420 393 M HN 0.325 nan 8.290 nan 0.000 0.486 394 G N 2.276 110.970 108.800 -0.176 0.000 2.256 394 G HA2 -0.215 3.745 3.960 0.000 0.000 0.272 394 G HA3 -0.215 3.745 3.960 0.000 0.000 0.272 394 G C -0.326 174.525 174.900 -0.083 0.000 1.076 394 G CA -0.230 44.789 45.100 -0.134 0.000 0.882 394 G HN 0.379 nan 8.290 nan 0.000 0.497 395 L N -0.998 120.170 121.223 -0.092 0.000 2.352 395 L HA 0.553 4.893 4.340 0.000 0.000 0.269 395 L C 0.597 177.370 176.870 -0.161 0.000 1.034 395 L CA -1.151 53.656 54.840 -0.055 0.000 0.806 395 L CB 1.047 43.138 42.059 0.052 0.000 1.244 395 L HN 0.116 nan 8.230 nan 0.000 0.447 396 E N -0.112 120.028 120.200 -0.100 0.000 2.323 396 E HA -0.022 4.328 4.350 0.000 0.000 0.313 396 E C 0.999 177.369 176.600 -0.384 0.000 1.236 396 E CA -0.041 56.281 56.400 -0.131 0.000 1.333 396 E CB -0.302 29.395 29.700 -0.005 0.000 1.138 396 E HN 0.587 nan 8.360 nan 0.000 0.492 397 T N -2.036 112.048 114.554 -0.785 0.000 3.219 397 T HA -0.156 4.194 4.350 0.000 0.000 0.264 397 T C 0.731 174.739 174.700 -1.153 0.000 1.178 397 T CA 0.711 61.775 62.100 -1.725 0.000 1.057 397 T CB -0.146 67.735 68.868 -1.646 0.000 0.919 397 T HN 0.414 nan 8.240 nan 0.000 0.545 398 H N -0.366 118.499 119.070 -0.342 0.000 2.893 398 H HA 0.276 4.833 4.556 0.000 0.000 0.270 398 H C -0.126 175.220 175.328 0.030 0.000 1.095 398 H CA -0.096 55.892 56.048 -0.100 0.000 1.186 398 H CB 1.016 30.721 29.762 -0.096 0.000 1.562 398 H HN 0.332 nan 8.280 nan 0.000 0.536 399 T N 2.043 116.689 114.554 0.153 0.000 2.934 399 T HA 0.228 4.578 4.350 0.000 0.000 0.328 399 T C 1.456 176.347 174.700 0.318 0.000 1.068 399 T CA -0.325 61.891 62.100 0.193 0.000 1.018 399 T CB 1.360 70.307 68.868 0.131 0.000 1.009 399 T HN 0.080 nan 8.240 nan 0.000 0.471 400 L N 1.871 123.263 121.223 0.282 0.000 2.079 400 L HA -0.132 4.208 4.340 0.000 0.000 0.210 400 L C 2.808 179.757 176.870 0.131 0.000 1.081 400 L CA 1.407 56.373 54.840 0.210 0.000 0.752 400 L CB -0.408 41.717 42.059 0.110 0.000 0.896 400 L HN 0.710 nan 8.230 nan 0.000 0.433 401 A N -0.215 122.675 122.820 0.117 0.000 2.125 401 A HA -0.188 4.132 4.320 0.000 0.000 0.219 401 A C 2.421 180.063 177.584 0.097 0.000 1.156 401 A CA 1.606 53.693 52.037 0.083 0.000 0.671 401 A CB -0.575 18.466 19.000 0.069 0.000 0.794 401 A HN 0.549 nan 8.150 nan 0.000 0.459 402 S N -0.580 115.212 115.700 0.153 0.000 2.515 402 S HA 0.076 4.546 4.470 0.000 0.000 0.231 402 S C 0.880 175.574 174.600 0.157 0.000 0.987 402 S CA 0.709 59.004 58.200 0.160 0.000 0.936 402 S CB -0.752 62.567 63.200 0.198 0.000 0.766 402 S HN 0.858 nan 8.310 nan 0.000 0.528 403 L N 0.372 121.666 121.223 0.119 0.000 3.865 403 L HA -0.178 4.162 4.340 0.000 0.000 0.408 403 L C 1.638 178.553 176.870 0.075 0.000 1.209 403 L CA 0.761 55.623 54.840 0.036 0.000 0.940 403 L CB -2.624 39.456 42.059 0.036 0.000 1.971 403 L HN 0.763 nan 8.230 nan 0.000 0.899 404 W N 0.361 121.679 121.300 0.030 0.000 2.358 404 W HA -0.161 4.499 4.660 0.000 0.000 0.303 404 W C 1.715 178.261 176.519 0.045 0.000 1.208 404 W CA 1.422 58.788 57.345 0.034 0.000 1.274 404 W CB -0.730 28.738 29.460 0.013 0.000 1.138 404 W HN 0.254 nan 8.180 nan 0.000 0.515 405 K N 1.007 120.949 120.400 -0.764 0.000 2.103 405 K HA -0.182 4.138 4.320 0.000 0.000 0.207 405 K C 1.500 177.956 176.600 -0.239 0.000 1.048 405 K CA 2.381 58.214 56.287 -0.757 0.000 0.930 405 K CB -0.414 31.519 32.500 -0.945 0.000 0.716 405 K HN 0.107 nan 8.250 nan 0.000 0.444 406 D N 0.017 120.324 120.400 -0.155 0.000 2.144 406 D HA -0.094 4.546 4.640 0.000 0.000 0.200 406 D C 1.988 178.307 176.300 0.031 0.000 0.978 406 D CA 0.931 54.901 54.000 -0.049 0.000 0.833 406 D CB 0.143 40.927 40.800 -0.028 0.000 0.961 406 D HN 0.137 nan 8.370 nan 0.000 0.470 407 R N 0.713 121.265 120.500 0.086 0.000 2.062 407 R HA 0.004 4.344 4.340 0.000 0.000 0.231 407 R C 2.347 178.765 176.300 0.197 0.000 1.136 407 R CA 1.184 57.376 56.100 0.153 0.000 0.948 407 R CB -0.494 29.927 30.300 0.202 0.000 0.845 407 R HN 0.133 nan 8.270 nan 0.000 0.430 408 A N 1.138 124.103 122.820 0.241 0.000 1.865 408 A HA -0.158 4.162 4.320 0.000 0.000 0.217 408 A C 2.366 180.084 177.584 0.224 0.000 1.191 408 A CA 1.678 53.894 52.037 0.297 0.000 0.623 408 A CB -0.992 18.221 19.000 0.355 0.000 0.826 408 A HN 0.181 nan 8.150 nan 0.000 0.444 409 V N 0.039 120.032 119.914 0.131 0.000 2.453 409 V HA -0.252 3.868 4.120 0.000 0.000 0.252 409 V C 2.578 178.712 176.094 0.067 0.000 1.068 409 V CA 2.901 65.251 62.300 0.083 0.000 1.070 409 V CB -0.821 31.008 31.823 0.010 0.000 0.664 409 V HN 0.693 nan 8.190 nan 0.000 0.461 410 T N -0.688 113.910 114.554 0.074 0.000 2.857 410 T HA -0.087 4.263 4.350 0.000 0.000 0.266 410 T C 1.772 176.488 174.700 0.027 0.000 1.048 410 T CA 1.186 63.317 62.100 0.052 0.000 1.139 410 T CB -0.186 68.721 68.868 0.065 0.000 0.874 410 T HN 0.484 nan 8.240 nan 0.000 0.455 411 E N 1.226 121.476 120.200 0.084 0.000 2.072 411 E HA 0.015 4.365 4.350 0.000 0.000 0.191 411 E C 2.242 178.762 176.600 -0.133 0.000 0.985 411 E CA 0.663 57.087 56.400 0.039 0.000 0.801 411 E CB -0.421 29.448 29.700 0.282 0.000 0.750 411 E HN 0.519 nan 8.360 nan 0.000 0.452 412 I N 1.643 122.250 120.570 0.061 0.000 2.208 412 I HA -0.278 3.892 4.170 0.000 0.000 0.245 412 I C 2.029 178.133 176.117 -0.022 0.000 1.097 412 I CA 0.929 62.293 61.300 0.106 0.000 1.363 412 I CB -0.395 37.770 38.000 0.276 0.000 1.051 412 I HN 0.045 nan 8.210 nan 0.000 0.413 413 N N 0.673 119.350 118.700 -0.038 0.000 2.166 413 N HA -0.121 4.619 4.740 0.000 0.000 0.186 413 N C 1.931 177.368 175.510 -0.121 0.000 1.019 413 N CA 1.156 54.160 53.050 -0.078 0.000 0.856 413 N CB -0.284 38.162 38.487 -0.068 0.000 0.993 413 N HN 0.180 nan 8.380 nan 0.000 0.426 414 V N 1.523 121.320 119.914 -0.196 0.000 2.427 414 V HA -0.161 3.959 4.120 0.000 0.000 0.248 414 V C 2.429 178.294 176.094 -0.382 0.000 1.051 414 V CA 1.618 63.749 62.300 -0.281 0.000 1.048 414 V CB -0.900 30.696 31.823 -0.378 0.000 0.666 414 V HN 0.259 nan 8.190 nan 0.000 0.456 415 A N 0.142 122.618 122.820 -0.574 0.000 1.851 415 A HA -0.187 4.133 4.320 0.000 0.000 0.216 415 A C 2.418 179.921 177.584 -0.136 0.000 1.195 415 A CA 2.323 54.018 52.037 -0.570 0.000 0.622 415 A CB -0.884 17.517 19.000 -0.998 0.000 0.831 415 A HN 0.303 nan 8.150 nan 0.000 0.444 416 V N 0.226 120.119 119.914 -0.035 0.000 2.231 416 V HA -0.324 3.796 4.120 0.000 0.000 0.248 416 V C 2.622 178.767 176.094 0.084 0.000 1.054 416 V CA 2.260 64.614 62.300 0.089 0.000 1.015 416 V CB -0.926 30.883 31.823 -0.024 0.000 0.638 416 V HN 0.580 nan 8.190 nan 0.000 0.444 417 L N -0.670 120.540 121.223 -0.021 0.000 2.042 417 L HA -0.247 4.093 4.340 0.000 0.000 0.210 417 L C 2.627 179.533 176.870 0.061 0.000 1.076 417 L CA 2.201 57.038 54.840 -0.005 0.000 0.749 417 L CB -0.928 41.119 42.059 -0.019 0.000 0.893 417 L HN 0.538 nan 8.230 nan 0.000 0.432 418 H N -0.241 118.793 119.070 -0.060 0.000 2.321 418 H HA -0.142 4.414 4.556 0.000 0.000 0.300 418 H C 2.332 177.660 175.328 0.000 0.000 1.087 418 H CA 1.794 57.805 56.048 -0.062 0.000 1.319 418 H CB 0.333 30.002 29.762 -0.154 0.000 1.379 418 H HN 0.247 nan 8.280 nan 0.000 0.501 419 S N 0.427 116.063 115.700 -0.108 0.000 2.353 419 S HA -0.156 4.314 4.470 0.000 0.000 0.222 419 S C 2.005 176.565 174.600 -0.067 0.000 1.035 419 S CA 1.560 59.688 58.200 -0.121 0.000 1.025 419 S CB -0.604 62.619 63.200 0.037 0.000 0.902 419 S HN 0.302 nan 8.310 nan 0.000 0.440 420 F N 1.890 121.781 119.950 -0.099 0.000 2.102 420 F HA -0.137 4.390 4.527 0.000 0.000 0.298 420 F C 2.705 178.452 175.800 -0.088 0.000 1.105 420 F CA 1.261 59.222 58.000 -0.065 0.000 1.239 420 F CB -0.713 38.268 39.000 -0.032 0.000 0.991 420 F HN 0.225 nan 8.300 nan 0.000 0.474 421 Q N -0.183 119.668 119.800 0.086 0.000 2.124 421 Q HA -0.237 4.103 4.340 0.000 0.000 0.202 421 Q C 2.230 178.189 176.000 -0.067 0.000 0.977 421 Q CA 1.658 57.462 55.803 0.002 0.000 0.850 421 Q CB -0.250 28.486 28.738 -0.004 0.000 0.901 421 Q HN 0.362 nan 8.270 nan 0.000 0.429 422 K N 0.911 121.213 120.400 -0.164 0.000 2.025 422 K HA -0.157 4.163 4.320 0.000 0.000 0.207 422 K C 1.403 177.931 176.600 -0.121 0.000 1.049 422 K CA 1.239 57.414 56.287 -0.186 0.000 0.933 422 K CB 0.159 32.450 32.500 -0.349 0.000 0.714 422 K HN 0.171 nan 8.250 nan 0.000 0.438 423 Q N 0.770 120.494 119.800 -0.128 0.000 2.329 423 Q HA 0.070 4.410 4.340 0.000 0.000 0.208 423 Q C -0.568 175.383 176.000 -0.082 0.000 0.934 423 Q CA -0.157 55.580 55.803 -0.111 0.000 0.951 423 Q CB 0.166 28.813 28.738 -0.152 0.000 1.017 423 Q HN 0.296 nan 8.270 nan 0.000 0.490 424 N N -0.086 118.579 118.700 -0.058 0.000 2.721 424 N HA -0.158 4.582 4.740 0.000 0.000 0.249 424 N C -1.195 174.302 175.510 -0.022 0.000 1.072 424 N CA 0.625 53.653 53.050 -0.038 0.000 0.710 424 N CB -1.160 37.303 38.487 -0.040 0.000 0.993 424 N HN 0.066 nan 8.380 nan 0.000 0.547 425 V N 1.077 120.994 119.914 0.004 0.000 2.370 425 V HA 0.186 4.306 4.120 0.000 0.000 0.283 425 V C 0.865 177.074 176.094 0.191 0.000 1.023 425 V CA -0.590 61.752 62.300 0.070 0.000 0.857 425 V CB 1.876 33.691 31.823 -0.013 0.000 0.985 425 V HN 0.137 nan 8.190 nan 0.000 0.443 426 T N 6.485 121.096 114.554 0.095 0.000 2.849 426 T HA 0.249 4.599 4.350 0.000 0.000 0.289 426 T C -0.262 174.492 174.700 0.091 0.000 1.010 426 T CA 1.018 63.101 62.100 -0.029 0.000 1.161 426 T CB -0.188 68.539 68.868 -0.236 0.000 0.989 426 T HN 0.476 nan 8.240 nan 0.000 0.523 427 I N 2.880 123.433 120.570 -0.028 0.000 3.004 427 I HA 0.678 4.848 4.170 0.000 0.000 0.305 427 I C -1.333 174.764 176.117 -0.033 0.000 1.312 427 I CA -1.041 60.224 61.300 -0.059 0.000 0.992 427 I CB 2.269 40.137 38.000 -0.220 0.000 1.282 427 I HN 0.722 nan 8.210 nan 0.000 0.449 428 M N 5.974 125.600 119.600 0.044 0.000 2.324 428 M HA 0.410 4.890 4.480 0.000 0.000 0.288 428 M C -1.793 174.555 176.300 0.080 0.000 1.097 428 M CA -0.602 54.759 55.300 0.101 0.000 0.928 428 M CB 1.578 34.333 32.600 0.257 0.000 1.648 428 M HN 0.702 nan 8.290 nan 0.000 0.460 429 D N 3.608 124.061 120.400 0.089 0.000 2.344 429 D HA 0.060 4.700 4.640 0.000 0.000 0.244 429 D C 0.680 177.087 176.300 0.179 0.000 1.134 429 D CA -0.177 53.915 54.000 0.152 0.000 0.930 429 D CB 0.640 41.535 40.800 0.159 0.000 1.175 429 D HN 0.857 nan 8.370 nan 0.000 0.437 430 H N 0.757 119.796 119.070 -0.050 0.000 2.421 430 H HA -0.157 4.399 4.556 0.000 0.000 0.298 430 H C 1.359 176.604 175.328 -0.137 0.000 1.087 430 H CA 1.328 57.303 56.048 -0.121 0.000 1.330 430 H CB -0.833 28.799 29.762 -0.216 0.000 1.388 430 H HN 0.547 nan 8.280 nan 0.000 0.526 431 H N 0.792 119.661 119.070 -0.335 0.000 2.326 431 H HA -0.040 4.516 4.556 0.000 0.000 0.301 431 H C 1.896 177.190 175.328 -0.058 0.000 1.081 431 H CA 2.032 57.942 56.048 -0.229 0.000 1.334 431 H CB -0.212 29.393 29.762 -0.262 0.000 1.385 431 H HN 0.419 nan 8.280 nan 0.000 0.504 432 T N 1.082 115.696 114.554 0.100 0.000 2.867 432 T HA -0.056 4.294 4.350 0.000 0.000 0.268 432 T C 2.321 177.088 174.700 0.112 0.000 1.057 432 T CA 0.932 63.090 62.100 0.096 0.000 1.136 432 T CB -0.311 68.610 68.868 0.089 0.000 0.874 432 T HN 0.411 nan 8.240 nan 0.000 0.466 433 A N 1.487 124.374 122.820 0.112 0.000 1.877 433 A HA -0.092 4.228 4.320 0.000 0.000 0.216 433 A C 2.638 180.311 177.584 0.147 0.000 1.186 433 A CA 1.904 54.022 52.037 0.134 0.000 0.620 433 A CB -0.979 18.090 19.000 0.115 0.000 0.822 433 A HN 0.422 nan 8.150 nan 0.000 0.443 434 S N -0.253 115.512 115.700 0.107 0.000 2.353 434 S HA -0.190 4.280 4.470 0.000 0.000 0.222 434 S C 1.888 176.596 174.600 0.181 0.000 1.035 434 S CA 1.629 59.911 58.200 0.136 0.000 1.025 434 S CB -0.394 62.848 63.200 0.070 0.000 0.902 434 S HN 0.694 nan 8.310 nan 0.000 0.440 435 E N 0.731 121.011 120.200 0.135 0.000 2.085 435 E HA -0.146 4.204 4.350 0.000 0.000 0.194 435 E C 2.279 178.953 176.600 0.122 0.000 0.994 435 E CA 1.232 57.702 56.400 0.118 0.000 0.801 435 E CB -0.269 29.484 29.700 0.089 0.000 0.743 435 E HN 0.410 nan 8.360 nan 0.000 0.453 436 S N 0.372 116.156 115.700 0.140 0.000 2.359 436 S HA -0.198 4.272 4.470 0.000 0.000 0.224 436 S C 1.775 176.476 174.600 0.168 0.000 1.035 436 S CA 1.103 59.389 58.200 0.143 0.000 1.018 436 S CB -0.314 62.981 63.200 0.159 0.000 0.876 436 S HN 0.331 nan 8.310 nan 0.000 0.448 437 F N 1.831 121.839 119.950 0.098 0.000 2.134 437 F HA -0.027 4.500 4.527 0.000 0.000 0.299 437 F C 2.160 178.047 175.800 0.145 0.000 1.097 437 F CA 1.552 59.629 58.000 0.128 0.000 1.264 437 F CB -0.359 38.696 39.000 0.093 0.000 1.001 437 F HN 0.188 nan 8.300 nan 0.000 0.479 438 M N 0.293 119.946 119.600 0.089 0.000 2.080 438 M HA -0.228 4.252 4.480 0.000 0.000 0.260 438 M C 2.250 178.502 176.300 -0.079 0.000 1.068 438 M CA 1.735 57.039 55.300 0.005 0.000 1.109 438 M CB -1.350 31.308 32.600 0.096 0.000 1.342 438 M HN 0.081 nan 8.290 nan 0.000 0.405 439 K N -0.492 119.897 120.400 -0.019 0.000 2.063 439 K HA -0.219 4.101 4.320 0.000 0.000 0.208 439 K C 2.014 178.581 176.600 -0.054 0.000 1.048 439 K CA 1.810 58.086 56.287 -0.017 0.000 0.928 439 K CB -0.542 31.974 32.500 0.027 0.000 0.713 439 K HN 0.386 nan 8.250 nan 0.000 0.442 440 H N -0.110 118.852 119.070 -0.180 0.000 2.321 440 H HA -0.091 4.465 4.556 0.000 0.000 0.300 440 H C 2.012 177.165 175.328 -0.292 0.000 1.087 440 H CA 2.503 58.416 56.048 -0.226 0.000 1.319 440 H CB -0.265 29.323 29.762 -0.290 0.000 1.379 440 H HN 0.268 nan 8.280 nan 0.000 0.501 441 M N 0.027 119.248 119.600 -0.632 0.000 2.082 441 M HA -0.283 4.197 4.480 0.000 0.000 0.258 441 M C 2.214 178.419 176.300 -0.159 0.000 1.069 441 M CA 2.228 57.245 55.300 -0.472 0.000 1.102 441 M CB -0.063 32.313 32.600 -0.374 0.000 1.336 441 M HN 0.439 nan 8.290 nan 0.000 0.404 442 Q N -0.015 119.700 119.800 -0.141 0.000 2.124 442 Q HA -0.166 4.174 4.340 0.000 0.000 0.202 442 Q C 1.715 177.680 176.000 -0.058 0.000 0.977 442 Q CA 1.740 57.501 55.803 -0.070 0.000 0.850 442 Q CB -0.234 28.459 28.738 -0.076 0.000 0.901 442 Q HN 0.595 nan 8.270 nan 0.000 0.429 443 N N 0.338 118.968 118.700 -0.116 0.000 2.142 443 N HA -0.139 4.601 4.740 0.000 0.000 0.186 443 N C 1.522 176.952 175.510 -0.134 0.000 1.023 443 N CA 0.948 53.942 53.050 -0.093 0.000 0.852 443 N CB -0.096 38.356 38.487 -0.059 0.000 0.998 443 N HN 0.238 nan 8.380 nan 0.000 0.424 444 E N 0.231 120.266 120.200 -0.275 0.000 2.110 444 E HA -0.123 4.227 4.350 0.000 0.000 0.193 444 E C 1.773 178.234 176.600 -0.231 0.000 0.988 444 E CA 0.761 56.965 56.400 -0.327 0.000 0.804 444 E CB -0.338 29.044 29.700 -0.531 0.000 0.745 444 E HN 0.495 nan 8.360 nan 0.000 0.458 445 Y N 0.711 120.906 120.300 -0.175 0.000 2.314 445 Y HA -0.084 4.466 4.550 0.000 0.000 0.293 445 Y C 2.643 178.485 175.900 -0.096 0.000 1.129 445 Y CA 1.235 59.268 58.100 -0.112 0.000 1.201 445 Y CB -0.036 38.362 38.460 -0.104 0.000 0.999 445 Y HN -0.058 nan 8.280 nan 0.000 0.541 446 R N -0.227 120.295 120.500 0.037 0.000 2.090 446 R HA -0.081 4.259 4.340 0.000 0.000 0.228 446 R C 2.278 178.564 176.300 -0.024 0.000 1.110 446 R CA 1.051 57.150 56.100 -0.001 0.000 0.973 446 R CB -0.265 30.028 30.300 -0.012 0.000 0.869 446 R HN 0.288 nan 8.270 nan 0.000 0.440 447 A N 1.324 124.115 122.820 -0.048 0.000 1.898 447 A HA -0.116 4.204 4.320 0.000 0.000 0.214 447 A C 1.641 179.182 177.584 -0.071 0.000 1.183 447 A CA 1.408 53.414 52.037 -0.052 0.000 0.622 447 A CB -0.057 18.911 19.000 -0.053 0.000 0.824 447 A HN 0.499 nan 8.150 nan 0.000 0.444 448 R N -2.697 117.734 120.500 -0.114 0.000 2.544 448 R HA 0.386 4.726 4.340 0.000 0.000 0.426 448 R C 0.674 176.892 176.300 -0.136 0.000 0.943 448 R CA 0.365 56.395 56.100 -0.115 0.000 1.162 448 R CB -0.739 29.483 30.300 -0.130 0.000 1.588 448 R HN 0.834 nan 8.270 nan 0.000 0.563 449 G N 0.096 108.809 108.800 -0.145 0.000 2.295 449 G HA2 -0.034 3.926 3.960 0.000 0.000 0.287 449 G HA3 -0.034 3.926 3.960 0.000 0.000 0.287 449 G C 0.237 174.912 174.900 -0.376 0.000 1.055 449 G CA 0.255 45.270 45.100 -0.141 0.000 0.922 449 G HN 0.983 nan 8.290 nan 0.000 0.503 450 G N -2.561 105.722 108.800 -0.861 0.000 2.340 450 G HA2 0.557 4.517 3.960 0.000 0.000 0.300 450 G HA3 0.557 4.517 3.960 0.000 0.000 0.300 450 G C -0.864 173.599 174.900 -0.728 0.000 1.488 450 G CA 0.232 44.738 45.100 -0.990 0.000 0.878 450 G HN 1.870 nan 8.290 nan 0.000 0.618 451 C N 2.571 121.620 119.300 -0.417 0.000 2.982 451 C HA 0.632 5.092 4.460 0.000 0.000 0.372 451 C C -2.521 172.378 174.990 -0.153 0.000 1.061 451 C CA -1.172 57.716 59.018 -0.216 0.000 1.309 451 C CB 0.940 28.592 27.740 -0.147 0.000 1.766 451 C HN 0.699 nan 8.230 nan 0.000 0.504 452 P HA 0.355 nan 4.420 nan 0.000 0.263 452 P C -0.580 176.595 177.300 -0.209 0.000 1.195 452 P CA 0.749 63.410 63.100 -0.731 0.000 0.762 452 P CB 0.902 32.112 31.700 -0.816 0.000 0.799 453 A N 2.626 125.387 122.820 -0.100 0.000 2.488 453 A HA 0.392 4.712 4.320 0.000 0.000 0.295 453 A C -1.123 176.501 177.584 0.066 0.000 1.045 453 A CA -0.545 51.524 52.037 0.053 0.000 0.703 453 A CB 1.236 20.372 19.000 0.228 0.000 1.271 453 A HN 0.425 nan 8.150 nan 0.000 0.400 454 D N 2.124 122.552 120.400 0.046 0.000 2.467 454 D HA 0.170 4.810 4.640 0.000 0.000 0.220 454 D C 0.840 177.261 176.300 0.201 0.000 1.103 454 D CA -0.504 53.566 54.000 0.117 0.000 0.886 454 D CB 0.302 41.128 40.800 0.043 0.000 1.025 454 D HN 0.596 nan 8.370 nan 0.000 0.514 455 W N 4.378 125.703 121.300 0.041 0.000 2.305 455 W HA -0.231 4.429 4.660 0.000 0.000 0.308 455 W C 1.700 178.241 176.519 0.038 0.000 1.226 455 W CA 1.271 58.625 57.345 0.016 0.000 1.253 455 W CB -0.091 29.359 29.460 -0.017 0.000 1.146 455 W HN 0.475 nan 8.180 nan 0.000 0.507 456 I N -1.020 119.841 120.570 0.485 0.000 2.423 456 I HA -0.291 3.879 4.170 0.000 0.000 0.254 456 I C 1.584 177.801 176.117 0.167 0.000 1.151 456 I CA 1.310 62.833 61.300 0.371 0.000 1.421 456 I CB -0.541 37.691 38.000 0.387 0.000 1.079 456 I HN 0.127 nan 8.210 nan 0.000 0.431 457 W N -0.231 121.046 121.300 -0.038 0.000 2.735 457 W HA 0.181 4.841 4.660 0.000 0.000 0.264 457 W C 2.139 178.549 176.519 -0.182 0.000 1.233 457 W CA -0.003 57.292 57.345 -0.084 0.000 1.408 457 W CB -0.309 29.124 29.460 -0.045 0.000 1.038 457 W HN -0.107 nan 8.180 nan 0.000 0.603 458 L N 0.079 121.273 121.223 -0.049 0.000 2.291 458 L HA -0.012 4.328 4.340 0.000 0.000 0.214 458 L C 0.485 177.156 176.870 -0.332 0.000 1.120 458 L CA 0.428 55.112 54.840 -0.260 0.000 0.799 458 L CB -0.741 41.073 42.059 -0.409 0.000 0.925 458 L HN -0.374 nan 8.230 nan 0.000 0.446 459 V N 1.028 120.676 119.914 -0.444 0.000 2.432 459 V HA 0.190 4.310 4.120 0.000 0.000 0.271 459 V C -1.851 174.070 176.094 -0.288 0.000 1.046 459 V CA -1.515 60.501 62.300 -0.473 0.000 0.945 459 V CB 0.744 32.049 31.823 -0.864 0.000 0.992 459 V HN 0.020 nan 8.190 nan 0.000 0.471 460 P HA 0.052 nan 4.420 nan 0.000 0.267 460 P C -1.799 175.407 177.300 -0.156 0.000 1.201 460 P CA -0.767 62.245 63.100 -0.147 0.000 0.775 460 P CB 0.086 31.756 31.700 -0.051 0.000 0.854 461 P HA -0.039 nan 4.420 nan 0.000 0.242 461 P C -0.104 177.119 177.300 -0.129 0.000 1.197 461 P CA 0.915 63.918 63.100 -0.161 0.000 0.765 461 P CB 0.151 31.739 31.700 -0.187 0.000 0.936 462 V N -5.619 114.219 119.914 -0.126 0.000 3.188 462 V HA 0.578 4.698 4.120 0.000 0.000 0.305 462 V C 0.333 176.422 176.094 -0.008 0.000 1.232 462 V CA -0.504 61.752 62.300 -0.074 0.000 1.043 462 V CB 1.293 33.060 31.823 -0.093 0.000 1.068 462 V HN 0.038 nan 8.190 nan 0.000 0.439 463 S N -0.361 115.349 115.700 0.015 0.000 3.581 463 S HA -0.204 4.266 4.470 0.000 0.000 0.354 463 S C 1.462 176.038 174.600 -0.040 0.000 1.059 463 S CA 1.477 59.691 58.200 0.024 0.000 1.060 463 S CB -2.269 61.001 63.200 0.116 0.000 0.908 463 S HN 2.622 nan 8.310 nan 0.000 0.475 464 G N 2.878 111.642 108.800 -0.059 0.000 2.764 464 G HA2 -0.325 3.635 3.960 0.000 0.000 0.219 464 G HA3 -0.325 3.635 3.960 0.000 0.000 0.219 464 G C 1.601 176.340 174.900 -0.267 0.000 1.259 464 G CA 2.155 47.218 45.100 -0.061 0.000 0.793 464 G HN 1.780 nan 8.290 nan 0.000 0.633 465 S N 0.162 115.396 115.700 -0.777 0.000 2.507 465 S HA 0.036 4.506 4.470 0.000 0.000 0.235 465 S C 2.076 176.541 174.600 -0.225 0.000 0.988 465 S CA 0.843 58.373 58.200 -1.116 0.000 0.944 465 S CB -0.086 62.379 63.200 -1.225 0.000 0.762 465 S HN 0.206 nan 8.310 nan 0.000 0.526 466 I N 2.940 123.446 120.570 -0.107 0.000 2.928 466 I HA 0.026 4.196 4.170 0.000 0.000 0.266 466 I C 1.269 177.451 176.117 0.109 0.000 1.234 466 I CA 0.637 61.963 61.300 0.043 0.000 1.483 466 I CB -1.960 36.089 38.000 0.083 0.000 1.097 466 I HN 0.492 nan 8.210 nan 0.000 0.455 467 T N -1.028 113.564 114.554 0.064 0.000 2.907 467 T HA 0.327 4.677 4.350 0.000 0.000 0.284 467 T C -1.368 173.455 174.700 0.205 0.000 1.004 467 T CA -1.750 60.403 62.100 0.089 0.000 1.063 467 T CB 2.062 70.920 68.868 -0.018 0.000 0.992 467 T HN -0.076 nan 8.240 nan 0.000 0.483 468 P HA -0.060 nan 4.420 nan 0.000 0.218 468 P C 1.687 179.178 177.300 0.318 0.000 1.149 468 P CA 0.437 63.718 63.100 0.302 0.000 0.817 468 P CB -0.112 31.709 31.700 0.202 0.000 0.785 469 V N -0.304 119.734 119.914 0.208 0.000 2.469 469 V HA -0.233 3.887 4.120 0.000 0.000 0.251 469 V C 2.375 178.540 176.094 0.118 0.000 1.064 469 V CA 1.719 64.109 62.300 0.150 0.000 1.066 469 V CB -1.507 30.323 31.823 0.011 0.000 0.667 469 V HN -0.020 nan 8.190 nan 0.000 0.461 470 F N 1.192 121.083 119.950 -0.100 0.000 2.171 470 F HA -0.189 4.338 4.527 0.000 0.000 0.300 470 F C 2.045 177.927 175.800 0.137 0.000 1.090 470 F CA 2.014 59.963 58.000 -0.086 0.000 1.293 470 F CB -0.274 38.551 39.000 -0.292 0.000 1.013 470 F HN 0.381 nan 8.300 nan 0.000 0.486 471 H N -1.527 117.911 119.070 0.614 0.000 2.524 471 H HA 0.195 4.751 4.556 0.000 0.000 0.280 471 H C 0.082 175.672 175.328 0.436 0.000 1.018 471 H CA -0.008 56.349 56.048 0.516 0.000 1.165 471 H CB -0.142 29.887 29.762 0.445 0.000 1.411 471 H HN 0.113 nan 8.280 nan 0.000 0.569 472 Q N 2.006 122.086 119.800 0.465 0.000 2.368 472 Q HA 0.157 4.497 4.340 0.000 0.000 0.256 472 Q C -0.728 175.494 176.000 0.369 0.000 0.980 472 Q CA -0.462 55.562 55.803 0.368 0.000 0.887 472 Q CB 0.562 29.486 28.738 0.310 0.000 1.221 472 Q HN 0.355 nan 8.270 nan 0.000 0.458 473 E N 3.739 124.112 120.200 0.288 0.000 2.384 473 E HA 0.225 4.575 4.350 0.000 0.000 0.266 473 E C -0.461 176.264 176.600 0.208 0.000 1.012 473 E CA 0.369 56.894 56.400 0.209 0.000 0.901 473 E CB 0.750 30.568 29.700 0.197 0.000 0.967 473 E HN 0.600 nan 8.360 nan 0.000 0.435 474 M N 2.074 121.796 119.600 0.203 0.000 2.658 474 M HA 0.399 4.879 4.480 0.000 0.000 0.295 474 M C -1.325 175.088 176.300 0.187 0.000 1.248 474 M CA -1.122 54.318 55.300 0.233 0.000 0.843 474 M CB 1.502 34.278 32.600 0.293 0.000 1.749 474 M HN 0.183 nan 8.290 nan 0.000 0.464 475 L N 2.131 123.488 121.223 0.223 0.000 2.325 475 L HA 0.481 4.821 4.340 0.000 0.000 0.281 475 L C -0.798 176.190 176.870 0.196 0.000 1.004 475 L CA -0.238 54.752 54.840 0.250 0.000 0.823 475 L CB 1.303 43.574 42.059 0.354 0.000 1.236 475 L HN 0.564 nan 8.230 nan 0.000 0.415 476 N N 3.802 122.603 118.700 0.169 0.000 2.437 476 N HA 0.516 5.256 4.740 0.000 0.000 0.259 476 N C -1.563 174.029 175.510 0.137 0.000 0.983 476 N CA -0.147 52.931 53.050 0.046 0.000 0.937 476 N CB 0.477 39.000 38.487 0.059 0.000 1.122 476 N HN 0.393 nan 8.380 nan 0.000 0.499 477 Y N -0.095 120.210 120.300 0.008 0.000 2.571 477 Y HA 0.577 5.127 4.550 0.000 0.000 0.341 477 Y C -1.107 174.732 175.900 -0.101 0.000 1.076 477 Y CA -1.366 56.714 58.100 -0.033 0.000 1.029 477 Y CB 0.574 39.033 38.460 -0.001 0.000 1.308 477 Y HN -0.027 nan 8.280 nan 0.000 0.461 478 V N 4.536 124.412 119.914 -0.062 0.000 2.348 478 V HA 0.324 4.444 4.120 0.000 0.000 0.270 478 V C 0.251 176.188 176.094 -0.263 0.000 1.037 478 V CA -0.365 61.673 62.300 -0.436 0.000 0.872 478 V CB 0.258 31.657 31.823 -0.706 0.000 1.002 478 V HN 0.752 nan 8.190 nan 0.000 0.464 479 L N 2.951 124.068 121.223 -0.177 0.000 2.874 479 L HA 0.708 5.048 4.340 0.000 0.000 0.229 479 L C 0.403 177.241 176.870 -0.053 0.000 1.200 479 L CA -0.406 54.415 54.840 -0.032 0.000 0.976 479 L CB 1.426 43.515 42.059 0.049 0.000 1.887 479 L HN 0.622 nan 8.230 nan 0.000 0.543 480 S N -0.751 114.960 115.700 0.019 0.000 2.566 480 S HA 0.503 4.973 4.470 0.000 0.000 0.273 480 S C -2.681 171.960 174.600 0.068 0.000 1.157 480 S CA -1.039 57.187 58.200 0.044 0.000 0.938 480 S CB 1.808 65.023 63.200 0.025 0.000 1.087 480 S HN 0.148 nan 8.310 nan 0.000 0.474 481 P HA 0.431 nan 4.420 nan 0.000 0.269 481 P C -1.296 175.976 177.300 -0.047 0.000 1.217 481 P CA -0.039 63.034 63.100 -0.044 0.000 0.783 481 P CB 0.223 31.838 31.700 -0.141 0.000 0.898 482 F N 0.698 120.459 119.950 -0.316 0.000 2.678 482 F HA 0.429 4.956 4.527 0.000 0.000 0.308 482 F C -1.680 173.842 175.800 -0.464 0.000 1.118 482 F CA -0.786 56.945 58.000 -0.447 0.000 0.959 482 F CB 1.163 39.877 39.000 -0.476 0.000 1.305 482 F HN 0.155 nan 8.300 nan 0.000 0.443 483 Y N 4.367 124.118 120.300 -0.915 0.000 2.385 483 Y HA 0.447 4.997 4.550 0.000 0.000 0.341 483 Y C -0.913 174.565 175.900 -0.703 0.000 0.965 483 Y CA -0.828 56.928 58.100 -0.573 0.000 1.180 483 Y CB 0.332 38.472 38.460 -0.534 0.000 1.139 483 Y HN 0.382 nan 8.280 nan 0.000 0.502 484 Y N 1.234 121.549 120.300 0.026 0.000 2.488 484 Y HA 0.405 4.955 4.550 0.000 0.000 0.325 484 Y C -0.261 175.643 175.900 0.007 0.000 1.204 484 Y CA -1.045 57.093 58.100 0.063 0.000 1.229 484 Y CB 0.831 39.400 38.460 0.181 0.000 1.274 484 Y HN 0.399 nan 8.280 nan 0.000 0.493 485 Y N 0.570 121.020 120.300 0.251 0.000 2.295 485 Y HA 0.348 4.899 4.550 0.000 0.000 0.331 485 Y C 0.048 175.999 175.900 0.085 0.000 1.311 485 Y CA -1.052 57.112 58.100 0.106 0.000 1.430 485 Y CB 0.587 39.083 38.460 0.061 0.000 1.339 485 Y HN 0.421 nan 8.280 nan 0.000 0.552 486 Q N 0.649 120.554 119.800 0.176 0.000 2.484 486 Q HA 0.460 4.800 4.340 0.000 0.000 0.285 486 Q C -1.266 174.686 176.000 -0.080 0.000 1.097 486 Q CA -1.194 54.627 55.803 0.029 0.000 0.802 486 Q CB 2.662 31.388 28.738 -0.020 0.000 1.444 486 Q HN 0.358 nan 8.270 nan 0.000 0.429 487 I N 2.040 122.530 120.570 -0.133 0.000 2.588 487 I HA 0.025 4.195 4.170 0.000 0.000 0.283 487 I C 0.569 176.452 176.117 -0.391 0.000 1.119 487 I CA 0.004 61.174 61.300 -0.217 0.000 1.419 487 I CB 0.347 38.238 38.000 -0.182 0.000 1.394 487 I HN 0.498 nan 8.210 nan 0.000 0.562 488 E N 8.598 128.458 120.200 -0.566 0.000 2.585 488 E HA -0.031 4.319 4.350 0.000 0.000 0.252 488 E C -1.335 174.591 176.600 -1.123 0.000 0.981 488 E CA -1.346 54.419 56.400 -1.059 0.000 0.943 488 E CB 0.229 28.998 29.700 -1.550 0.000 0.923 488 E HN 0.366 nan 8.360 nan 0.000 0.486 489 P HA -0.209 nan 4.420 nan 0.000 0.216 489 P C 1.248 178.032 177.300 -0.860 0.000 1.157 489 P CA 1.718 64.208 63.100 -1.017 0.000 0.880 489 P CB -0.302 30.465 31.700 -1.556 0.000 0.791 490 W N 0.962 121.787 121.300 -0.792 0.000 2.538 490 W HA 0.049 4.709 4.660 0.000 0.000 0.254 490 W C 1.607 178.121 176.519 -0.008 0.000 1.249 490 W CA 0.578 57.778 57.345 -0.243 0.000 1.253 490 W CB -1.441 28.038 29.460 0.032 0.000 1.130 490 W HN -0.047 nan 8.180 nan 0.000 0.618 491 K N 0.117 120.363 120.400 -0.257 0.000 2.323 491 K HA 0.055 4.375 4.320 0.000 0.000 0.197 491 K C 1.839 178.407 176.600 -0.053 0.000 1.043 491 K CA 1.538 57.767 56.287 -0.097 0.000 0.997 491 K CB 0.012 32.381 32.500 -0.218 0.000 0.807 491 K HN 0.331 nan 8.250 nan 0.000 0.497 492 T N -3.322 111.167 114.554 -0.108 0.000 2.955 492 T HA 0.019 4.369 4.350 0.000 0.000 0.251 492 T C 0.455 175.133 174.700 -0.038 0.000 1.002 492 T CA -0.323 61.736 62.100 -0.069 0.000 0.970 492 T CB -0.292 68.508 68.868 -0.112 0.000 1.091 492 T HN 0.102 nan 8.240 nan 0.000 0.495 493 H N 1.686 120.674 119.070 -0.137 0.000 3.034 493 H HA 0.324 4.880 4.556 0.000 0.000 0.324 493 H C -0.305 174.924 175.328 -0.165 0.000 1.015 493 H CA -0.127 55.820 56.048 -0.169 0.000 1.429 493 H CB 0.004 29.650 29.762 -0.193 0.000 1.429 493 H HN 0.326 nan 8.280 nan 0.000 0.585 494 I N 6.618 126.769 120.570 -0.698 0.000 2.297 494 I HA 0.042 4.212 4.170 0.000 0.000 0.291 494 I C -0.222 175.536 176.117 -0.600 0.000 1.033 494 I CA -0.455 60.594 61.300 -0.417 0.000 1.253 494 I CB 0.295 38.144 38.000 -0.252 0.000 1.396 494 I HN 0.557 nan 8.210 nan 0.000 0.476 495 W N 5.731 126.945 121.300 -0.143 0.000 2.158 495 W HA 0.139 4.799 4.660 0.000 0.000 0.339 495 W C 1.388 177.901 176.519 -0.009 0.000 1.294 495 W CA -0.138 57.222 57.345 0.025 0.000 1.231 495 W CB 0.457 29.993 29.460 0.128 0.000 1.143 495 W HN 0.535 nan 8.180 nan 0.000 0.571 496 Q N 1.874 121.842 119.800 0.280 0.000 2.141 496 Q HA 0.051 4.391 4.340 0.000 0.000 0.194 496 Q C 1.025 177.120 176.000 0.158 0.000 0.975 496 Q CA 1.150 57.046 55.803 0.155 0.000 0.834 496 Q CB -0.244 28.563 28.738 0.115 0.000 0.916 496 Q HN 0.649 nan 8.270 nan 0.000 0.484 497 N N 0.000 118.813 118.700 0.188 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.117 53.050 0.112 0.000 0.885 497 N CB 0.000 38.532 38.487 0.075 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667