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 1nna_1_A DATA FIRST_RESID 84 DATA SEQUENCE DFNNLTKGLc TINSWHIYGK DNAVRIGEDS DVLVTREPYV ScDPDEcRFY DATA SEQUENCE ALSQGTTIRG KHSNGTIHDR SQYRALISWP LSSPPTVYNS RVEcIGWSST DATA SEQUENCE ScHDGKTRMS IcISGPNNNA SAVIWYNRRP VTEINTWARN ILRTQESEcV DATA SEQUENCE cHNGVcPVVF TDGSATGPAE TRIYYFKEGK ILKWEPLAGT AKHIEEcScY DATA SEQUENCE GERAEITcTc RDNWQGSNRP VIRIDPVAMT HTSQYIcSPV LTDNPRPNDP DATA SEQUENCE TVGKcNDPYP GNNNNGVKGF SYLDGVNTWL GRTISIASRS GYEMLKVPNA DATA SEQUENCE LTDDKSKPTQ GQTIVLNTDW SGYSGSFMDY WAEGEcYRAc FYVELIRGRP DATA SEQUENCE KEDKVWWTSN SIVSMcSSTE FLGQWDWPDG AKIEYFL 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 84 D HA 0.000 nan 4.640 nan 0.000 0.175 84 D C 0.000 176.370 176.300 0.117 0.000 2.045 84 D CA 0.000 53.980 54.000 -0.034 0.000 0.868 84 D CB 0.000 40.812 40.800 0.019 0.000 0.688 85 F N -0.750 119.276 119.950 0.126 0.000 2.608 85 F HA -0.069 nan 4.527 nan 0.000 0.380 85 F C 0.494 176.375 175.800 0.135 0.000 1.083 85 F CA 0.065 58.148 58.000 0.137 0.000 1.266 85 F CB 0.285 39.330 39.000 0.076 0.000 1.076 85 F HN 0.167 8.450 8.300 -0.029 0.000 0.574 86 N N 2.089 121.039 118.700 0.416 0.000 2.492 86 N HA -0.171 nan 4.740 nan 0.000 0.260 86 N C -2.050 173.471 175.510 0.019 0.000 1.215 86 N CA 0.399 53.590 53.050 0.236 0.000 0.923 86 N CB 1.102 39.730 38.487 0.235 0.000 1.092 86 N HN 0.187 8.774 8.380 0.525 0.108 0.448 87 N N 2.761 121.452 118.700 -0.014 0.000 2.519 87 N HA 0.168 nan 4.740 nan 0.000 0.286 87 N C -0.811 174.778 175.510 0.131 0.000 1.079 87 N CA -0.641 52.342 53.050 -0.110 0.000 0.878 87 N CB 2.685 41.115 38.487 -0.095 0.000 1.375 87 N HN 0.102 8.503 8.380 0.035 0.000 0.514 88 L N 3.837 125.270 121.223 0.349 0.000 2.583 88 L HA -0.071 nan 4.340 nan 0.000 0.280 88 L C 0.260 177.329 176.870 0.333 0.000 1.261 88 L CA 0.887 55.969 54.840 0.405 0.000 1.164 88 L CB -2.202 40.059 42.059 0.337 0.000 1.402 88 L HN 0.095 8.615 8.230 0.482 0.000 0.443 89 T N -1.989 112.708 114.554 0.239 0.000 2.990 89 T HA 0.089 nan 4.350 nan 0.000 0.250 89 T C 0.532 175.205 174.700 -0.045 0.000 1.041 89 T CA -0.188 61.972 62.100 0.099 0.000 1.010 89 T CB 0.395 69.310 68.868 0.079 0.000 1.003 89 T HN 0.056 8.466 8.240 0.283 0.000 0.499 90 K N 1.117 121.355 120.400 -0.270 0.000 2.240 90 K HA 0.341 nan 4.320 nan 0.000 0.237 90 K C -0.904 175.443 176.600 -0.422 0.000 1.027 90 K CA -1.059 54.917 56.287 -0.517 0.000 0.937 90 K CB 1.704 33.624 32.500 -0.967 0.000 1.171 90 K HN -0.810 7.284 8.250 -0.260 0.000 0.479 91 G N -3.743 104.877 108.800 -0.299 0.000 2.788 91 G HA2 0.710 nan 3.960 nan 0.000 0.293 91 G HA3 0.710 nan 3.960 nan 0.000 0.293 91 G C -2.159 172.717 174.900 -0.041 0.000 1.305 91 G CA -2.026 43.032 45.100 -0.069 0.000 1.005 91 G HN 0.000 8.109 8.290 -0.303 0.000 0.496 92 L N -0.449 120.816 121.223 0.070 0.000 2.380 92 L HA 0.162 nan 4.340 nan 0.000 0.273 92 L C 0.390 177.238 176.870 -0.036 0.000 1.138 92 L CA 0.242 55.107 54.840 0.043 0.000 0.832 92 L CB 0.602 42.694 42.059 0.055 0.000 1.124 92 L HN 0.046 8.336 8.230 0.101 0.000 0.454 93 c N 5.052 123.601 118.600 -0.085 0.000 2.705 93 c HA -0.028 nan 4.570 nan 0.000 0.365 93 c C 0.624 174.637 174.090 -0.129 0.000 1.353 93 c CA 0.088 56.349 56.329 -0.113 0.000 2.339 93 c CB 0.229 42.651 42.510 -0.146 0.000 2.576 93 c HN 0.258 8.336 8.230 -0.090 0.098 0.716 94 T N 2.104 116.585 114.554 -0.122 0.000 2.799 94 T HA -0.025 nan 4.350 nan 0.000 0.296 94 T C -0.447 174.111 174.700 -0.237 0.000 0.947 94 T CA 1.367 63.393 62.100 -0.122 0.000 1.141 94 T CB 0.010 68.828 68.868 -0.084 0.000 0.891 94 T HN 0.234 8.413 8.240 -0.103 0.000 0.533 95 I N 8.894 129.306 120.570 -0.264 0.000 2.310 95 I HA -0.025 nan 4.170 nan 0.000 0.287 95 I C -0.882 175.006 176.117 -0.382 0.000 1.073 95 I CA -0.370 60.597 61.300 -0.555 0.000 1.216 95 I CB -0.485 37.000 38.000 -0.860 0.000 1.415 95 I HN -0.132 8.273 8.210 -0.114 -0.263 0.480 96 N N 8.798 127.191 118.700 -0.512 0.000 2.325 96 N HA 0.217 nan 4.740 nan 0.000 0.182 96 N C -0.839 174.346 175.510 -0.541 0.000 1.088 96 N CA 0.866 53.561 53.050 -0.592 0.000 0.879 96 N CB 1.762 39.483 38.487 -1.277 0.000 0.983 96 N HN 0.625 8.672 8.380 -0.555 0.000 0.471 97 S N -2.290 113.016 115.700 -0.656 0.000 2.714 97 S HA 0.366 nan 4.470 nan 0.000 0.280 97 S C -2.455 171.603 174.600 -0.902 0.000 1.200 97 S CA 0.194 58.061 58.200 -0.554 0.000 0.900 97 S CB 1.033 64.157 63.200 -0.127 0.000 1.235 97 S HN -0.183 7.678 8.310 -0.748 0.000 0.512 98 W N -1.219 120.019 121.300 -0.104 0.000 2.819 98 W HA 0.502 nan 4.660 nan 0.000 0.337 98 W C -0.751 175.802 176.519 0.057 0.000 1.077 98 W CA -0.604 56.699 57.345 -0.069 0.000 1.226 98 W CB 3.031 32.498 29.460 0.011 0.000 1.419 98 W HN -0.451 7.950 8.180 0.087 -0.169 0.502 99 H N -0.523 118.648 119.070 0.169 0.000 2.524 99 H HA 0.366 nan 4.556 nan 0.000 0.353 99 H C -1.429 173.961 175.328 0.104 0.000 1.136 99 H CA -1.836 54.299 56.048 0.144 0.000 1.193 99 H CB 3.361 33.165 29.762 0.070 0.000 1.558 99 H HN 1.092 9.216 8.280 -0.091 0.102 0.515 100 I N 3.527 124.170 120.570 0.123 0.000 2.742 100 I HA -0.312 nan 4.170 nan 0.000 0.287 100 I C -1.265 174.849 176.117 -0.005 0.000 1.186 100 I CA 0.557 61.745 61.300 -0.187 0.000 1.417 100 I CB 0.024 37.714 38.000 -0.517 0.000 1.377 100 I HN 0.421 8.803 8.210 0.287 0.000 0.556 101 Y N 9.239 129.402 120.300 -0.229 0.000 2.382 101 Y HA 0.194 nan 4.550 nan 0.000 0.292 101 Y C -1.051 174.816 175.900 -0.055 0.000 1.151 101 Y CA 0.639 58.685 58.100 -0.090 0.000 1.198 101 Y CB 2.805 41.195 38.460 -0.117 0.000 1.195 101 Y HN 0.740 8.849 8.280 -0.125 0.096 0.530 102 G N -5.027 103.743 108.800 -0.051 0.000 2.690 102 G HA2 0.333 nan 3.960 nan 0.000 0.293 102 G HA3 0.333 nan 3.960 nan 0.000 0.293 102 G C -3.083 171.861 174.900 0.073 0.000 1.399 102 G CA -0.195 44.869 45.100 -0.060 0.000 0.890 102 G HN -0.479 7.731 8.290 0.039 0.104 0.485 103 K N 1.062 121.546 120.400 0.140 0.000 2.582 103 K HA 0.234 nan 4.320 nan 0.000 0.259 103 K C -1.867 174.875 176.600 0.236 0.000 0.973 103 K CA 0.082 56.468 56.287 0.166 0.000 0.880 103 K CB 2.474 34.999 32.500 0.043 0.000 1.310 103 K HN -0.114 8.188 8.250 0.086 0.000 0.443 104 D N 4.378 124.968 120.400 0.317 0.000 2.392 104 D HA 0.084 nan 4.640 nan 0.000 0.206 104 D C 0.402 176.816 176.300 0.191 0.000 1.046 104 D CA -0.169 54.027 54.000 0.326 0.000 0.865 104 D CB 0.451 41.586 40.800 0.558 0.000 0.969 104 D HN 0.193 8.735 8.370 0.288 0.000 0.509 105 N N -1.489 117.305 118.700 0.157 0.000 2.727 105 N HA -0.380 nan 4.740 nan 0.000 0.249 105 N C -0.101 175.468 175.510 0.098 0.000 1.048 105 N CA 1.091 54.218 53.050 0.127 0.000 0.714 105 N CB -1.269 37.294 38.487 0.126 0.000 0.959 105 N HN 0.255 8.734 8.380 0.165 0.000 0.544 106 A N -0.782 122.083 122.820 0.075 0.000 1.877 106 A HA -0.258 nan 4.320 nan 0.000 0.216 106 A C 1.523 179.110 177.584 0.004 0.000 1.186 106 A CA 3.285 55.328 52.037 0.010 0.000 0.620 106 A CB 0.030 19.001 19.000 -0.048 0.000 0.822 106 A HN -0.409 7.954 8.150 0.091 -0.159 0.443 107 V N -2.300 117.630 119.914 0.027 0.000 2.667 107 V HA -0.399 nan 4.120 nan 0.000 0.252 107 V C 2.344 178.564 176.094 0.209 0.000 1.065 107 V CA 3.533 65.858 62.300 0.041 0.000 1.083 107 V CB -1.225 30.620 31.823 0.036 0.000 0.692 107 V HN 0.243 8.456 8.190 0.039 0.000 0.468 108 R N -0.584 120.025 120.500 0.182 0.000 2.062 108 R HA -0.261 nan 4.340 nan 0.000 0.231 108 R C 2.780 179.175 176.300 0.158 0.000 1.136 108 R CA 3.151 59.373 56.100 0.203 0.000 0.948 108 R CB -0.229 30.164 30.300 0.155 0.000 0.845 108 R HN -0.319 8.011 8.270 0.137 0.022 0.430 109 I N -1.584 119.048 120.570 0.103 0.000 2.493 109 I HA -0.275 nan 4.170 nan 0.000 0.254 109 I C 1.715 177.860 176.117 0.047 0.000 1.160 109 I CA 2.734 64.071 61.300 0.061 0.000 1.445 109 I CB -0.262 37.762 38.000 0.040 0.000 1.086 109 I HN 0.112 8.380 8.210 0.097 0.000 0.433 110 G N -2.376 106.462 108.800 0.062 0.000 2.813 110 G HA2 -0.149 nan 3.960 nan 0.000 0.209 110 G HA3 -0.149 nan 3.960 nan 0.000 0.209 110 G C 0.713 175.692 174.900 0.133 0.000 1.150 110 G CA 0.615 45.734 45.100 0.032 0.000 0.785 110 G HN 0.207 8.308 8.290 0.082 0.237 0.535 111 E N 0.855 121.175 120.200 0.199 0.000 2.338 111 E HA -0.169 nan 4.350 nan 0.000 0.197 111 E C -0.777 175.786 176.600 -0.062 0.000 1.007 111 E CA 1.995 58.405 56.400 0.015 0.000 0.849 111 E CB 0.539 30.111 29.700 -0.213 0.000 0.774 111 E HN -0.780 7.667 8.360 0.218 0.044 0.506 112 D N -2.517 117.871 120.400 -0.020 0.000 3.453 112 D HA 0.220 nan 4.640 nan 0.000 0.312 112 D C -1.543 174.751 176.300 -0.011 0.000 1.349 112 D CA 0.595 54.576 54.000 -0.032 0.000 0.739 112 D CB 0.313 41.079 40.800 -0.056 0.000 1.312 112 D HN -0.612 7.717 8.370 0.010 0.047 0.628 113 S N -0.946 114.751 115.700 -0.005 0.000 2.611 113 S HA 0.100 nan 4.470 nan 0.000 0.268 113 S C -1.653 172.933 174.600 -0.023 0.000 1.156 113 S CA -0.176 58.024 58.200 -0.000 0.000 0.817 113 S CB 1.841 65.036 63.200 -0.007 0.000 1.122 113 S HN -0.415 7.891 8.310 -0.007 0.000 0.466 114 D N 3.189 123.572 120.400 -0.027 0.000 2.767 114 D HA 0.158 nan 4.640 nan 0.000 0.241 114 D C -1.562 174.609 176.300 -0.215 0.000 1.187 114 D CA -0.582 53.350 54.000 -0.113 0.000 0.999 114 D CB -0.758 39.973 40.800 -0.115 0.000 1.042 114 D HN 0.166 8.545 8.370 0.016 0.000 0.510 115 V N 1.000 120.801 119.914 -0.188 0.000 2.567 115 V HA 0.547 nan 4.120 nan 0.000 0.289 115 V C -1.095 174.837 176.094 -0.270 0.000 1.049 115 V CA -0.788 61.364 62.300 -0.246 0.000 0.969 115 V CB 1.762 33.461 31.823 -0.207 0.000 0.995 115 V HN -0.470 7.581 8.190 -0.141 0.053 0.471 116 L N 5.065 126.097 121.223 -0.319 0.000 2.331 116 L HA 0.318 nan 4.340 nan 0.000 0.278 116 L C -0.317 176.391 176.870 -0.269 0.000 1.106 116 L CA -0.333 54.338 54.840 -0.281 0.000 0.824 116 L CB 0.491 42.376 42.059 -0.291 0.000 1.142 116 L HN 0.568 8.571 8.230 -0.378 0.000 0.443 117 V N 4.798 124.576 119.914 -0.227 0.000 2.599 117 V HA -0.115 nan 4.120 nan 0.000 0.300 117 V C -0.513 175.498 176.094 -0.137 0.000 1.034 117 V CA 1.898 64.079 62.300 -0.199 0.000 1.115 117 V CB -1.153 30.581 31.823 -0.149 0.000 0.934 117 V HN 0.277 8.344 8.190 -0.205 0.000 0.485 118 T N 3.988 118.472 114.554 -0.117 0.000 2.812 118 T HA 0.786 nan 4.350 nan 0.000 0.294 118 T C -1.531 173.151 174.700 -0.029 0.000 1.159 118 T CA -1.138 60.922 62.100 -0.067 0.000 1.008 118 T CB 3.589 72.404 68.868 -0.088 0.000 1.289 118 T HN -0.238 7.929 8.240 -0.122 0.000 0.514 119 R N -1.878 118.622 120.500 0.000 0.000 2.907 119 R HA 0.298 nan 4.340 nan 0.000 0.266 119 R C -1.096 175.217 176.300 0.022 0.000 1.031 119 R CA -0.647 55.446 56.100 -0.011 0.000 0.904 119 R CB 4.215 34.486 30.300 -0.048 0.000 1.358 119 R HN 0.312 8.594 8.270 0.021 0.000 0.438 120 E N -2.343 117.847 120.200 -0.017 0.000 2.197 120 E HA -0.309 nan 4.350 nan 0.000 0.184 120 E C -2.382 174.330 176.600 0.185 0.000 1.439 120 E CA 0.664 57.127 56.400 0.105 0.000 0.688 120 E CB -2.220 27.572 29.700 0.153 0.000 1.090 120 E HN -0.172 8.298 8.360 -0.123 -0.184 0.341 121 P HA 0.183 nan 4.420 nan 0.000 0.275 121 P C -1.962 175.194 177.300 -0.239 0.000 1.266 121 P CA -0.259 62.787 63.100 -0.090 0.000 0.793 121 P CB 0.974 32.556 31.700 -0.196 0.000 1.074 122 Y N -8.260 111.628 120.300 -0.686 0.000 2.818 122 Y HA 0.214 nan 4.550 nan 0.000 0.341 122 Y C -2.483 173.014 175.900 -0.673 0.000 1.283 122 Y CA -1.375 56.049 58.100 -1.126 0.000 1.075 122 Y CB 1.100 39.217 38.460 -0.571 0.000 1.370 122 Y HN 0.415 8.229 8.280 -0.626 0.090 0.448 123 V N -1.565 118.092 119.914 -0.428 0.000 2.864 123 V HA 0.652 nan 4.120 nan 0.000 0.314 123 V C -1.534 174.384 176.094 -0.294 0.000 1.073 123 V CA -1.619 60.400 62.300 -0.468 0.000 0.956 123 V CB 1.816 32.995 31.823 -1.072 0.000 1.023 123 V HN 0.173 8.201 8.190 -0.271 0.000 0.435 124 S N 1.169 116.803 115.700 -0.109 0.000 2.562 124 S HA 0.413 nan 4.470 nan 0.000 0.274 124 S C -1.845 172.848 174.600 0.156 0.000 1.160 124 S CA -0.313 57.906 58.200 0.031 0.000 0.933 124 S CB 3.165 66.228 63.200 -0.230 0.000 1.100 124 S HN 0.411 8.725 8.310 0.008 0.000 0.468 125 c N 6.701 125.460 118.600 0.265 0.000 2.319 125 c HA 0.671 nan 4.570 nan 0.000 0.335 125 c C -0.390 173.776 174.090 0.126 0.000 1.274 125 c CA -0.533 55.950 56.329 0.257 0.000 1.806 125 c CB 0.859 43.610 42.510 0.402 0.000 2.329 125 c HN 0.711 9.155 8.230 0.357 0.000 0.524 126 D N 5.229 125.560 120.400 -0.115 0.000 2.411 126 D HA 0.182 nan 4.640 nan 0.000 0.251 126 D C -0.526 175.260 176.300 -0.857 0.000 1.201 126 D CA -1.570 52.089 54.000 -0.568 0.000 0.996 126 D CB -0.257 40.341 40.800 -0.336 0.000 1.101 126 D HN 0.327 8.677 8.370 -0.034 0.000 0.504 127 P HA -0.101 nan 4.420 nan 0.000 0.223 127 P C -1.441 175.643 177.300 -0.360 0.000 1.144 127 P CA 2.345 64.812 63.100 -1.054 0.000 0.783 127 P CB 0.187 31.297 31.700 -0.984 0.000 0.771 128 D N -8.801 111.429 120.400 -0.283 0.000 2.480 128 D HA 0.008 nan 4.640 nan 0.000 0.243 128 D C -1.045 175.206 176.300 -0.082 0.000 1.120 128 D CA -0.233 53.687 54.000 -0.134 0.000 0.835 128 D CB 0.662 41.383 40.800 -0.132 0.000 1.204 128 D HN 0.226 8.293 8.370 -0.355 0.090 0.513 129 E N -3.328 116.817 120.200 -0.092 0.000 2.375 129 E HA 0.161 nan 4.350 nan 0.000 0.280 129 E C -2.267 174.322 176.600 -0.020 0.000 0.972 129 E CA -0.860 55.510 56.400 -0.049 0.000 0.782 129 E CB 3.406 33.062 29.700 -0.073 0.000 1.229 129 E HN -0.855 7.419 8.360 -0.144 0.000 0.439 130 c N 1.792 120.399 118.600 0.012 0.000 2.341 130 c HA 0.715 nan 4.570 nan 0.000 0.338 130 c C -0.284 173.750 174.090 -0.093 0.000 1.257 130 c CA -1.232 55.121 56.329 0.040 0.000 1.883 130 c CB 0.686 43.306 42.510 0.183 0.000 2.334 130 c HN 0.545 8.782 8.230 0.013 0.000 0.524 131 R N -0.608 119.833 120.500 -0.099 0.000 2.888 131 R HA 0.763 nan 4.340 nan 0.000 0.266 131 R C -1.159 174.955 176.300 -0.311 0.000 1.020 131 R CA -2.050 53.867 56.100 -0.305 0.000 0.963 131 R CB 3.851 33.931 30.300 -0.367 0.000 1.197 131 R HN 0.813 9.096 8.270 0.022 0.000 0.481 132 F N -0.607 118.776 119.950 -0.945 0.000 2.371 132 F HA 0.642 nan 4.527 nan 0.000 0.329 132 F C -0.579 174.259 175.800 -1.604 0.000 1.107 132 F CA -2.402 54.811 58.000 -1.312 0.000 1.137 132 F CB 1.120 38.919 39.000 -2.001 0.000 1.214 132 F HN -0.075 7.699 8.300 -0.877 0.000 0.536 133 Y N -0.928 118.725 120.300 -1.079 0.000 2.534 133 Y HA 0.518 nan 4.550 nan 0.000 0.345 133 Y C -2.018 173.570 175.900 -0.519 0.000 1.031 133 Y CA -0.790 56.807 58.100 -0.838 0.000 1.022 133 Y CB 4.761 42.436 38.460 -1.309 0.000 1.292 133 Y HN 0.478 8.266 8.280 -0.820 0.000 0.459 134 A N -0.553 122.279 122.820 0.020 0.000 2.586 134 A HA 0.706 nan 4.320 nan 0.000 0.291 134 A C -2.807 174.847 177.584 0.116 0.000 1.062 134 A CA -0.100 52.007 52.037 0.116 0.000 0.666 134 A CB 3.666 22.817 19.000 0.252 0.000 1.281 134 A HN 0.945 9.144 8.150 0.082 0.000 0.421 135 L N -0.718 120.569 121.223 0.107 0.000 2.268 135 L HA 0.399 nan 4.340 nan 0.000 0.289 135 L C -0.325 176.574 176.870 0.048 0.000 1.064 135 L CA -1.194 53.699 54.840 0.090 0.000 0.824 135 L CB 0.006 42.137 42.059 0.121 0.000 1.202 135 L HN 0.045 8.339 8.230 0.108 0.000 0.433 136 S N 3.723 119.435 115.700 0.019 0.000 2.566 136 S HA -0.169 nan 4.470 nan 0.000 0.280 136 S C 0.664 175.275 174.600 0.018 0.000 1.343 136 S CA 0.815 59.003 58.200 -0.020 0.000 1.036 136 S CB 0.726 63.901 63.200 -0.042 0.000 0.866 136 S HN 0.427 8.752 8.310 0.026 0.000 0.526 137 Q N 5.135 124.938 119.800 0.006 0.000 2.198 137 Q HA 0.041 nan 4.340 nan 0.000 0.209 137 Q C 0.602 176.636 176.000 0.056 0.000 0.848 137 Q CA -1.170 54.665 55.803 0.052 0.000 0.974 137 Q CB 0.678 29.445 28.738 0.047 0.000 1.115 137 Q HN 0.485 8.734 8.270 -0.034 0.000 0.494 138 G N 0.068 108.875 108.800 0.011 0.000 2.246 138 G HA2 -0.376 nan 3.960 nan 0.000 0.273 138 G HA3 -0.376 nan 3.960 nan 0.000 0.273 138 G C -1.063 173.796 174.900 -0.067 0.000 1.055 138 G CA 1.040 46.134 45.100 -0.010 0.000 0.851 138 G HN -0.271 7.939 8.290 -0.009 0.075 0.500 139 T N -2.196 112.313 114.554 -0.075 0.000 2.830 139 T HA 0.165 nan 4.350 nan 0.000 0.322 139 T C -2.143 172.492 174.700 -0.109 0.000 1.501 139 T CA -0.782 61.273 62.100 -0.075 0.000 1.036 139 T CB 1.612 70.470 68.868 -0.017 0.000 1.379 139 T HN -0.378 7.815 8.240 -0.078 0.000 0.493 140 T N 1.049 115.538 114.554 -0.107 0.000 2.874 140 T HA 0.603 nan 4.350 nan 0.000 0.281 140 T C 1.730 176.325 174.700 -0.176 0.000 0.994 140 T CA -1.379 60.631 62.100 -0.149 0.000 1.015 140 T CB 1.136 69.931 68.868 -0.123 0.000 1.028 140 T HN 0.189 8.388 8.240 -0.069 0.000 0.523 141 I N 2.159 122.571 120.570 -0.263 0.000 2.226 141 I HA -0.440 nan 4.170 nan 0.000 0.245 141 I C 1.426 177.358 176.117 -0.308 0.000 1.100 141 I CA 4.348 65.368 61.300 -0.467 0.000 1.374 141 I CB -0.236 37.391 38.000 -0.622 0.000 1.057 141 I HN 0.062 8.124 8.210 -0.247 0.000 0.413 142 R N -3.422 117.018 120.500 -0.100 0.000 2.299 142 R HA -0.076 nan 4.340 nan 0.000 0.197 142 R C 0.531 176.846 176.300 0.024 0.000 0.971 142 R CA 0.063 56.184 56.100 0.035 0.000 1.030 142 R CB -0.333 30.005 30.300 0.064 0.000 0.932 142 R HN 0.087 8.295 8.270 -0.103 0.000 0.477 143 G N -0.886 107.905 108.800 -0.015 0.000 2.554 143 G HA2 -0.087 nan 3.960 nan 0.000 0.238 143 G HA3 -0.087 nan 3.960 nan 0.000 0.238 143 G C 0.710 175.619 174.900 0.015 0.000 1.259 143 G CA -0.766 44.337 45.100 0.005 0.000 0.843 143 G HN -0.642 7.413 8.290 -0.057 0.200 0.582 144 K N 2.342 122.723 120.400 -0.031 0.000 2.217 144 K HA -0.301 nan 4.320 nan 0.000 0.202 144 K C 2.115 178.653 176.600 -0.103 0.000 1.051 144 K CA 2.873 59.106 56.287 -0.090 0.000 0.952 144 K CB -0.046 32.338 32.500 -0.193 0.000 0.736 144 K HN 0.423 8.649 8.250 -0.040 0.000 0.453 145 H N -1.163 117.886 119.070 -0.036 0.000 2.563 145 H HA -0.034 nan 4.556 nan 0.000 0.272 145 H C 0.982 176.301 175.328 -0.015 0.000 1.005 145 H CA 1.222 57.239 56.048 -0.051 0.000 1.171 145 H CB -0.942 28.764 29.762 -0.094 0.000 1.351 145 H HN 0.164 8.423 8.280 0.037 0.043 0.602 146 S N -1.016 114.751 115.700 0.112 0.000 2.522 146 S HA -0.231 nan 4.470 nan 0.000 0.227 146 S C 0.212 174.944 174.600 0.220 0.000 0.986 146 S CA 1.059 59.338 58.200 0.132 0.000 0.929 146 S CB 0.640 63.883 63.200 0.072 0.000 0.769 146 S HN -0.346 7.936 8.310 0.084 0.078 0.529 147 N N 1.654 120.459 118.700 0.176 0.000 2.427 147 N HA -0.302 nan 4.740 nan 0.000 0.269 147 N C 0.262 175.858 175.510 0.143 0.000 1.235 147 N CA 0.929 54.097 53.050 0.198 0.000 0.934 147 N CB -0.109 38.393 38.487 0.025 0.000 1.121 147 N HN -0.583 7.820 8.380 0.107 0.041 0.480 148 G N 5.566 114.487 108.800 0.202 0.000 2.205 148 G HA2 -0.263 nan 3.960 nan 0.000 0.180 148 G HA3 -0.263 nan 3.960 nan 0.000 0.180 148 G C 0.106 175.084 174.900 0.130 0.000 1.004 148 G CA 0.203 45.358 45.100 0.091 0.000 0.670 148 G HN 0.353 8.815 8.290 0.286 0.000 0.496 149 T N -0.714 113.947 114.554 0.179 0.000 3.400 149 T HA -0.031 nan 4.350 nan 0.000 0.254 149 T C 0.628 175.437 174.700 0.182 0.000 1.153 149 T CA 0.486 62.690 62.100 0.173 0.000 1.012 149 T CB -0.736 68.222 68.868 0.149 0.000 0.994 149 T HN -0.447 7.912 8.240 0.199 0.000 0.555 150 I N -1.543 119.163 120.570 0.227 0.000 3.001 150 I HA -0.064 nan 4.170 nan 0.000 0.268 150 I C -0.389 175.789 176.117 0.102 0.000 1.267 150 I CA 0.349 61.731 61.300 0.138 0.000 1.472 150 I CB 0.186 38.242 38.000 0.093 0.000 1.089 150 I HN -0.459 7.835 8.210 0.248 0.065 0.468 151 H N 0.155 119.233 119.070 0.014 0.000 2.610 151 H HA 0.108 nan 4.556 nan 0.000 0.336 151 H C -0.239 175.073 175.328 -0.027 0.000 1.087 151 H CA 0.623 56.664 56.048 -0.011 0.000 1.405 151 H CB 0.555 30.321 29.762 0.007 0.000 1.460 151 H HN -0.690 7.720 8.280 0.390 0.105 0.538 152 D N 2.854 123.233 120.400 -0.034 0.000 2.149 152 D HA -0.100 nan 4.640 nan 0.000 0.206 152 D C 0.442 176.685 176.300 -0.095 0.000 0.967 152 D CA 2.812 56.774 54.000 -0.063 0.000 0.848 152 D CB 0.795 41.521 40.800 -0.124 0.000 0.998 152 D HN 0.237 8.534 8.370 -0.122 0.000 0.474 153 R N -0.258 120.105 120.500 -0.230 0.000 2.360 153 R HA 0.208 nan 4.340 nan 0.000 0.318 153 R C -1.371 174.801 176.300 -0.214 0.000 0.950 153 R CA -0.394 55.414 56.100 -0.487 0.000 0.837 153 R CB 1.725 31.374 30.300 -1.086 0.000 1.165 153 R HN -0.051 8.117 8.270 -0.170 0.000 0.458 154 S N 2.823 118.506 115.700 -0.028 0.000 2.643 154 S HA 0.208 nan 4.470 nan 0.000 0.270 154 S C -0.260 174.263 174.600 -0.129 0.000 1.166 154 S CA -1.529 56.622 58.200 -0.082 0.000 0.815 154 S CB 2.155 65.315 63.200 -0.067 0.000 1.139 154 S HN 0.026 8.410 8.310 0.124 0.000 0.472 155 Q N -0.275 119.195 119.800 -0.550 0.000 2.436 155 Q HA -0.099 nan 4.340 nan 0.000 0.209 155 Q C -0.131 175.567 176.000 -0.504 0.000 0.965 155 Q CA 2.275 57.730 55.803 -0.580 0.000 0.910 155 Q CB 0.197 28.489 28.738 -0.743 0.000 0.980 155 Q HN 0.654 8.486 8.270 -0.731 0.000 0.491 156 Y N -5.120 115.215 120.300 0.058 0.000 2.636 156 Y HA 0.133 nan 4.550 nan 0.000 0.260 156 Y C -0.578 175.336 175.900 0.023 0.000 1.177 156 Y CA -1.153 56.957 58.100 0.016 0.000 1.209 156 Y CB 0.358 38.806 38.460 -0.021 0.000 1.166 156 Y HN -0.622 7.334 8.280 -0.415 0.075 0.531 157 R N -0.617 119.948 120.500 0.107 0.000 2.536 157 R HA 0.517 nan 4.340 nan 0.000 0.279 157 R C -1.951 174.390 176.300 0.068 0.000 1.001 157 R CA -1.279 54.884 56.100 0.106 0.000 1.027 157 R CB 2.236 32.632 30.300 0.160 0.000 1.096 157 R HN -0.697 7.530 8.270 0.055 0.076 0.502 158 A N -0.198 122.652 122.820 0.049 0.000 2.612 158 A HA 0.441 nan 4.320 nan 0.000 0.293 158 A C -2.771 174.821 177.584 0.015 0.000 1.075 158 A CA -0.685 51.359 52.037 0.011 0.000 0.680 158 A CB 3.570 22.562 19.000 -0.013 0.000 1.279 158 A HN -0.013 8.170 8.150 0.055 0.000 0.411 159 L N 1.238 122.456 121.223 -0.008 0.000 2.315 159 L HA 0.660 nan 4.340 nan 0.000 0.283 159 L C -1.549 175.313 176.870 -0.014 0.000 1.089 159 L CA -0.245 54.604 54.840 0.015 0.000 0.833 159 L CB 0.834 42.904 42.059 0.018 0.000 1.170 159 L HN -0.023 8.181 8.230 -0.043 0.000 0.442 160 I N 2.104 122.684 120.570 0.018 0.000 2.693 160 I HA 0.958 nan 4.170 nan 0.000 0.303 160 I C -2.255 173.863 176.117 0.002 0.000 1.025 160 I CA -2.271 59.033 61.300 0.006 0.000 1.086 160 I CB 2.801 40.812 38.000 0.018 0.000 1.268 160 I HN 0.929 9.172 8.210 0.056 0.000 0.440 161 S N 0.484 116.106 115.700 -0.130 0.000 2.634 161 S HA 0.939 nan 4.470 nan 0.000 0.296 161 S C -1.741 172.837 174.600 -0.037 0.000 1.104 161 S CA -1.593 56.337 58.200 -0.451 0.000 0.920 161 S CB 2.800 65.289 63.200 -1.185 0.000 1.111 161 S HN 0.682 8.928 8.310 -0.106 0.000 0.493 162 W N -4.204 116.878 121.300 -0.365 0.000 3.025 162 W HA 0.552 nan 4.660 nan 0.000 0.343 162 W C -3.310 173.071 176.519 -0.230 0.000 1.246 162 W CA -1.847 55.361 57.345 -0.227 0.000 1.178 162 W CB 0.018 29.389 29.460 -0.147 0.000 1.463 162 W HN 0.227 7.929 8.180 -0.797 0.000 0.578 163 P HA -0.071 nan 4.420 nan 0.000 0.265 163 P C -1.134 175.934 177.300 -0.387 0.000 1.193 163 P CA 0.200 63.184 63.100 -0.193 0.000 0.765 163 P CB 0.086 31.737 31.700 -0.081 0.000 0.823 164 L N 5.576 126.446 121.223 -0.588 0.000 2.737 164 L HA -0.423 nan 4.340 nan 0.000 0.279 164 L C -0.085 176.323 176.870 -0.770 0.000 1.200 164 L CA 2.093 56.349 54.840 -0.973 0.000 0.952 164 L CB -0.175 41.495 42.059 -0.648 0.000 1.240 164 L HN 0.151 8.107 8.230 -0.456 0.000 0.486 165 S N 1.531 116.622 115.700 -1.016 0.000 2.659 165 S HA -0.345 nan 4.470 nan 0.000 0.264 165 S C -0.484 174.144 174.600 0.046 0.000 1.310 165 S CA 0.848 58.901 58.200 -0.244 0.000 1.262 165 S CB -0.280 62.790 63.200 -0.216 0.000 1.548 165 S HN 0.490 7.616 8.310 -1.973 0.000 0.657 166 S N 2.482 118.232 115.700 0.083 0.000 2.608 166 S HA 0.313 nan 4.470 nan 0.000 0.261 166 S C -1.991 172.815 174.600 0.343 0.000 1.314 166 S CA 0.560 58.879 58.200 0.199 0.000 0.992 166 S CB 0.359 63.682 63.200 0.205 0.000 0.935 166 S HN -0.652 7.538 8.310 -0.051 0.090 0.564 167 P HA 0.395 nan 4.420 nan 0.000 0.290 167 P C -2.130 174.819 177.300 -0.585 0.000 1.275 167 P CA -2.958 60.076 63.100 -0.109 0.000 0.841 167 P CB -0.279 31.369 31.700 -0.087 0.000 1.042 168 P HA -0.002 nan 4.420 nan 0.000 0.264 168 P C -0.896 175.968 177.300 -0.728 0.000 1.537 168 P CA -0.258 61.907 63.100 -1.559 0.000 1.189 168 P CB -1.128 29.408 31.700 -1.941 0.000 1.687 169 T N -1.444 112.814 114.554 -0.492 0.000 2.902 169 T HA 0.452 nan 4.350 nan 0.000 0.280 169 T C 1.564 176.029 174.700 -0.391 0.000 0.992 169 T CA -2.174 59.706 62.100 -0.366 0.000 1.015 169 T CB 2.779 71.505 68.868 -0.236 0.000 1.044 169 T HN -0.421 7.542 8.240 -0.462 0.000 0.520 170 V N 1.346 120.938 119.914 -0.537 0.000 2.490 170 V HA -0.243 nan 4.120 nan 0.000 0.250 170 V C 1.640 177.423 176.094 -0.519 0.000 1.061 170 V CA 3.650 65.591 62.300 -0.599 0.000 1.064 170 V CB -0.473 30.869 31.823 -0.802 0.000 0.670 170 V HN 0.474 8.318 8.190 -0.577 0.000 0.461 171 Y N -4.139 116.112 120.300 -0.081 0.000 2.482 171 Y HA 0.076 nan 4.550 nan 0.000 0.270 171 Y C 0.875 176.742 175.900 -0.055 0.000 1.152 171 Y CA 0.353 58.416 58.100 -0.061 0.000 1.292 171 Y CB -0.249 38.179 38.460 -0.053 0.000 1.070 171 Y HN -0.535 7.295 8.280 -0.699 0.031 0.528 172 N N -2.638 116.064 118.700 0.004 0.000 2.159 172 N HA 0.119 nan 4.740 nan 0.000 0.217 172 N C -0.476 175.029 175.510 -0.008 0.000 1.223 172 N CA 0.371 53.428 53.050 0.011 0.000 0.896 172 N CB 2.213 40.712 38.487 0.020 0.000 1.064 172 N HN -0.551 7.730 8.380 -0.089 0.045 0.518 173 S N 0.666 116.333 115.700 -0.056 0.000 2.562 173 S HA 0.082 nan 4.470 nan 0.000 0.275 173 S C -1.333 173.244 174.600 -0.039 0.000 1.281 173 S CA 0.991 59.169 58.200 -0.038 0.000 1.045 173 S CB 1.038 64.166 63.200 -0.120 0.000 0.962 173 S HN -0.605 7.649 8.310 -0.093 0.000 0.503 174 R N 5.651 126.130 120.500 -0.034 0.000 2.393 174 R HA 0.290 nan 4.340 nan 0.000 0.310 174 R C -1.871 174.380 176.300 -0.082 0.000 0.968 174 R CA -0.993 55.069 56.100 -0.063 0.000 0.867 174 R CB 2.265 32.519 30.300 -0.076 0.000 1.124 174 R HN 0.534 8.797 8.270 -0.011 0.000 0.450 175 V N 7.107 126.965 119.914 -0.094 0.000 2.488 175 V HA 0.113 nan 4.120 nan 0.000 0.277 175 V C 1.012 176.990 176.094 -0.193 0.000 1.046 175 V CA 0.371 62.598 62.300 -0.122 0.000 0.986 175 V CB 0.058 31.815 31.823 -0.111 0.000 0.989 175 V HN 0.676 8.815 8.190 -0.086 0.000 0.475 176 E N 7.751 127.823 120.200 -0.214 0.000 2.057 176 E HA 0.098 nan 4.350 nan 0.000 0.190 176 E C -0.175 176.026 176.600 -0.666 0.000 0.969 176 E CA 1.849 58.053 56.400 -0.327 0.000 0.812 176 E CB 0.856 30.456 29.700 -0.166 0.000 0.777 176 E HN 0.796 8.953 8.360 -0.154 0.111 0.455 177 c N -4.995 113.306 118.600 -0.499 0.000 3.295 177 c HA 0.275 nan 4.570 nan 0.000 0.341 177 c C -2.114 171.864 174.090 -0.186 0.000 1.418 177 c CA -2.084 53.923 56.329 -0.536 0.000 1.240 177 c CB 2.754 44.868 42.510 -0.660 0.000 1.562 177 c HN -0.630 7.423 8.230 -0.294 0.000 0.457 178 I N 1.822 122.359 120.570 -0.054 0.000 2.304 178 I HA 0.506 nan 4.170 nan 0.000 0.291 178 I C -0.293 175.787 176.117 -0.062 0.000 1.018 178 I CA -1.749 59.535 61.300 -0.027 0.000 1.260 178 I CB -0.123 37.886 38.000 0.016 0.000 1.390 178 I HN 0.301 8.535 8.210 0.041 0.000 0.475 179 G N 5.358 114.111 108.800 -0.080 0.000 2.338 179 G HA2 0.311 nan 3.960 nan 0.000 0.295 179 G HA3 0.311 nan 3.960 nan 0.000 0.295 179 G C -1.976 172.899 174.900 -0.042 0.000 1.461 179 G CA 0.328 45.306 45.100 -0.203 0.000 0.817 179 G HN -0.435 7.836 8.290 -0.032 0.000 0.556 180 W N -2.663 118.649 121.300 0.020 0.000 2.966 180 W HA 0.341 nan 4.660 nan 0.000 0.406 180 W C -1.951 174.592 176.519 0.040 0.000 1.027 180 W CA -2.417 54.942 57.345 0.023 0.000 1.930 180 W CB 0.707 30.171 29.460 0.008 0.000 1.144 180 W HN 0.282 7.969 8.180 -0.821 0.000 0.626 181 S N -0.061 115.761 115.700 0.203 0.000 2.543 181 S HA 0.290 nan 4.470 nan 0.000 0.273 181 S C -2.284 172.342 174.600 0.044 0.000 1.152 181 S CA 0.518 58.834 58.200 0.193 0.000 0.910 181 S CB 1.535 64.899 63.200 0.273 0.000 1.105 181 S HN -0.784 7.431 8.310 -0.050 0.064 0.465 182 S N 3.670 119.406 115.700 0.061 0.000 2.615 182 S HA 0.779 nan 4.470 nan 0.000 0.269 182 S C -2.788 171.786 174.600 -0.042 0.000 1.161 182 S CA -0.988 57.228 58.200 0.027 0.000 0.817 182 S CB 3.027 66.291 63.200 0.108 0.000 1.131 182 S HN 0.233 8.858 8.310 0.088 -0.263 0.467 183 T N -0.954 113.562 114.554 -0.063 0.000 2.830 183 T HA 0.346 nan 4.350 nan 0.000 0.322 183 T C -2.941 171.721 174.700 -0.064 0.000 1.501 183 T CA -0.260 61.750 62.100 -0.149 0.000 1.036 183 T CB 2.607 71.330 68.868 -0.242 0.000 1.379 183 T HN 0.029 8.249 8.240 -0.033 0.000 0.493 184 S N 1.417 117.079 115.700 -0.063 0.000 2.535 184 S HA 0.825 nan 4.470 nan 0.000 0.272 184 S C -1.918 172.658 174.600 -0.041 0.000 1.149 184 S CA -0.846 57.320 58.200 -0.056 0.000 0.888 184 S CB 1.802 64.927 63.200 -0.125 0.000 1.110 184 S HN 0.169 8.404 8.310 -0.124 0.000 0.463 185 c N 2.148 120.755 118.600 0.013 0.000 3.113 185 c HA 0.576 nan 4.570 nan 0.000 0.376 185 c C -1.885 172.302 174.090 0.162 0.000 1.077 185 c CA -1.974 54.420 56.329 0.108 0.000 1.253 185 c CB 3.315 45.889 42.510 0.108 0.000 1.637 185 c HN 0.926 9.161 8.230 0.008 0.000 0.535 186 H N 4.964 124.129 119.070 0.157 0.000 2.683 186 H HA 0.077 nan 4.556 nan 0.000 0.339 186 H C -0.459 175.052 175.328 0.306 0.000 1.081 186 H CA 1.586 57.727 56.048 0.155 0.000 1.432 186 H CB 1.961 31.721 29.762 -0.003 0.000 1.462 186 H HN 0.654 9.162 8.280 0.380 0.000 0.557 187 D N 2.174 122.766 120.400 0.319 0.000 2.340 187 D HA 0.018 nan 4.640 nan 0.000 0.217 187 D C 0.525 177.208 176.300 0.637 0.000 1.081 187 D CA -0.969 53.288 54.000 0.428 0.000 0.842 187 D CB 1.000 42.006 40.800 0.343 0.000 0.934 187 D HN 0.190 8.576 8.370 0.028 0.000 0.511 188 G N -0.372 108.947 108.800 0.865 0.000 2.490 188 G HA2 -0.447 nan 3.960 nan 0.000 0.214 188 G HA3 -0.447 nan 3.960 nan 0.000 0.214 188 G C 0.313 175.505 174.900 0.487 0.000 1.151 188 G CA 0.782 46.306 45.100 0.707 0.000 0.684 188 G HN -0.152 8.758 8.290 1.192 0.095 0.518 189 K N 0.718 121.330 120.400 0.353 0.000 2.099 189 K HA 0.076 nan 4.320 nan 0.000 0.203 189 K C -0.351 176.250 176.600 0.002 0.000 1.047 189 K CA 1.491 57.859 56.287 0.135 0.000 0.963 189 K CB 1.265 33.771 32.500 0.009 0.000 0.759 189 K HN 0.087 8.729 8.250 0.488 -0.099 0.451 190 T N -1.915 112.445 114.554 -0.323 0.000 2.661 190 T HA 0.163 nan 4.350 nan 0.000 0.305 190 T C -2.584 171.541 174.700 -0.959 0.000 1.441 190 T CA -0.979 60.674 62.100 -0.744 0.000 0.999 190 T CB 2.161 70.731 68.868 -0.495 0.000 1.650 190 T HN -0.261 8.184 8.240 -0.123 -0.279 0.489 191 R N 1.331 121.409 120.500 -0.704 0.000 2.407 191 R HA 0.841 nan 4.340 nan 0.000 0.303 191 R C -1.574 174.597 176.300 -0.215 0.000 0.981 191 R CA -0.967 54.914 56.100 -0.364 0.000 0.905 191 R CB 1.680 31.902 30.300 -0.130 0.000 1.099 191 R HN 0.259 8.190 8.270 -0.565 0.000 0.459 192 M N 5.650 125.254 119.600 0.008 0.000 2.268 192 M HA 0.475 nan 4.480 nan 0.000 0.344 192 M C -2.406 173.918 176.300 0.040 0.000 1.106 192 M CA -0.739 54.638 55.300 0.129 0.000 1.010 192 M CB 3.076 35.798 32.600 0.204 0.000 1.649 192 M HN 0.934 9.240 8.290 0.027 0.000 0.443 193 S N 4.935 120.671 115.700 0.061 0.000 2.538 193 S HA 0.867 nan 4.470 nan 0.000 0.288 193 S C -1.985 172.645 174.600 0.051 0.000 1.108 193 S CA -0.966 57.242 58.200 0.014 0.000 0.971 193 S CB 2.964 66.139 63.200 -0.042 0.000 1.041 193 S HN 0.393 8.788 8.310 0.142 0.000 0.483 194 I N 2.672 123.241 120.570 -0.000 0.000 2.499 194 I HA 0.529 nan 4.170 nan 0.000 0.288 194 I C -1.882 174.244 176.117 0.015 0.000 1.048 194 I CA -1.105 60.209 61.300 0.022 0.000 1.062 194 I CB 3.451 41.408 38.000 -0.072 0.000 1.238 194 I HN 0.545 8.742 8.210 -0.022 0.000 0.426 195 c N 6.933 125.564 118.600 0.052 0.000 2.455 195 c HA 0.776 nan 4.570 nan 0.000 0.320 195 c C -1.372 172.660 174.090 -0.097 0.000 1.226 195 c CA -1.459 54.852 56.329 -0.029 0.000 1.569 195 c CB 2.681 45.172 42.510 -0.031 0.000 2.200 195 c HN 0.301 8.616 8.230 0.142 0.000 0.491 196 I N 4.139 124.549 120.570 -0.267 0.000 2.377 196 I HA 0.598 nan 4.170 nan 0.000 0.293 196 I C -1.695 173.811 176.117 -1.018 0.000 0.987 196 I CA -0.614 60.375 61.300 -0.517 0.000 1.185 196 I CB 1.615 39.300 38.000 -0.525 0.000 1.341 196 I HN 0.831 8.891 8.210 -0.249 0.000 0.455 197 S N 5.583 120.800 115.700 -0.805 0.000 2.704 197 S HA 0.606 nan 4.470 nan 0.000 0.296 197 S C -1.340 173.078 174.600 -0.304 0.000 1.138 197 S CA -1.577 56.132 58.200 -0.818 0.000 0.875 197 S CB 3.383 66.382 63.200 -0.335 0.000 1.151 197 S HN 0.388 8.404 8.310 -0.489 0.000 0.500 198 G N -2.572 106.318 108.800 0.150 0.000 2.340 198 G HA2 -0.130 nan 3.960 nan 0.000 0.527 198 G HA3 -0.130 nan 3.960 nan 0.000 0.527 198 G C -3.126 171.986 174.900 0.353 0.000 1.381 198 G CA -0.476 44.759 45.100 0.224 0.000 1.001 198 G HN -0.047 8.453 8.290 0.350 0.000 0.626 199 P HA 0.210 nan 4.420 nan 0.000 0.274 199 P C 0.766 178.131 177.300 0.110 0.000 1.237 199 P CA -0.761 62.404 63.100 0.109 0.000 0.793 199 P CB 0.901 32.633 31.700 0.053 0.000 0.977 200 N N 0.308 119.022 118.700 0.024 0.000 2.258 200 N HA -0.416 nan 4.740 nan 0.000 0.187 200 N C 0.445 175.960 175.510 0.008 0.000 1.012 200 N CA 3.015 56.059 53.050 -0.011 0.000 0.870 200 N CB -0.019 38.425 38.487 -0.072 0.000 0.977 200 N HN 0.551 8.922 8.380 -0.014 0.000 0.434 201 N N -4.928 113.777 118.700 0.008 0.000 2.205 201 N HA 0.032 nan 4.740 nan 0.000 0.201 201 N C -1.082 174.429 175.510 0.001 0.000 1.128 201 N CA -0.129 52.918 53.050 -0.005 0.000 0.867 201 N CB -0.564 37.917 38.487 -0.009 0.000 0.996 201 N HN 0.052 8.396 8.380 0.014 0.045 0.503 202 N N -0.664 118.048 118.700 0.021 0.000 2.604 202 N HA 0.077 nan 4.740 nan 0.000 0.284 202 N C -2.308 173.218 175.510 0.027 0.000 1.716 202 N CA -0.353 52.706 53.050 0.015 0.000 0.859 202 N CB 0.849 39.346 38.487 0.016 0.000 1.403 202 N HN -0.371 7.864 8.380 0.046 0.172 0.501 203 A N -0.642 122.197 122.820 0.032 0.000 2.271 203 A HA 0.571 nan 4.320 nan 0.000 0.288 203 A C -1.531 176.018 177.584 -0.058 0.000 1.094 203 A CA -0.812 51.241 52.037 0.027 0.000 0.828 203 A CB 1.728 20.801 19.000 0.121 0.000 1.091 203 A HN -0.659 7.499 8.150 0.013 0.000 0.493 204 S N -3.259 112.376 115.700 -0.108 0.000 2.537 204 S HA 0.628 nan 4.470 nan 0.000 0.270 204 S C -1.959 172.562 174.600 -0.131 0.000 1.142 204 S CA -0.772 57.364 58.200 -0.108 0.000 0.870 204 S CB 3.235 66.391 63.200 -0.072 0.000 1.112 204 S HN 0.490 8.708 8.310 -0.154 0.000 0.466 205 A N 0.949 123.709 122.820 -0.099 0.000 2.292 205 A HA 0.737 nan 4.320 nan 0.000 0.319 205 A C -1.861 175.708 177.584 -0.025 0.000 1.206 205 A CA -1.580 50.431 52.037 -0.043 0.000 0.835 205 A CB 1.447 20.468 19.000 0.035 0.000 1.164 205 A HN 0.892 8.869 8.150 -0.107 0.109 0.505 206 V N 4.014 123.937 119.914 0.016 0.000 2.378 206 V HA 0.523 nan 4.120 nan 0.000 0.288 206 V C -1.222 174.932 176.094 0.099 0.000 1.016 206 V CA -1.303 61.002 62.300 0.008 0.000 0.840 206 V CB 1.451 33.267 31.823 -0.012 0.000 0.994 206 V HN 0.506 8.717 8.190 0.035 0.000 0.431 207 I N 7.119 127.698 120.570 0.015 0.000 2.352 207 I HA 0.275 nan 4.170 nan 0.000 0.290 207 I C -1.575 174.580 176.117 0.063 0.000 1.036 207 I CA -0.924 60.396 61.300 0.032 0.000 1.336 207 I CB 0.446 38.404 38.000 -0.071 0.000 1.407 207 I HN 0.801 8.883 8.210 -0.029 0.110 0.497 208 W N 7.679 128.971 121.300 -0.014 0.000 2.570 208 W HA 0.519 nan 4.660 nan 0.000 0.337 208 W C -1.622 174.958 176.519 0.102 0.000 1.067 208 W CA -1.147 56.217 57.345 0.031 0.000 1.229 208 W CB 2.686 32.148 29.460 0.004 0.000 1.355 208 W HN 0.790 9.186 8.180 0.360 0.000 0.555 209 Y N 2.279 122.699 120.300 0.199 0.000 2.362 209 Y HA 0.088 nan 4.550 nan 0.000 0.326 209 Y C -1.223 174.739 175.900 0.104 0.000 1.083 209 Y CA -0.625 57.540 58.100 0.108 0.000 1.073 209 Y CB 3.296 41.794 38.460 0.065 0.000 1.211 209 Y HN 0.890 9.379 8.280 0.347 0.000 0.433 210 N N 9.221 127.665 118.700 -0.427 0.000 2.725 210 N HA -0.510 nan 4.740 nan 0.000 0.251 210 N C -0.504 175.001 175.510 -0.008 0.000 1.031 210 N CA 0.997 53.892 53.050 -0.259 0.000 0.720 210 N CB -0.345 37.988 38.487 -0.257 0.000 0.930 210 N HN 0.771 8.762 8.380 -0.647 0.000 0.543 211 R N -9.000 111.552 120.500 0.088 0.000 4.000 211 R HA -0.411 nan 4.340 nan 0.000 0.362 211 R C -0.787 175.794 176.300 0.469 0.000 1.183 211 R CA 1.805 58.034 56.100 0.215 0.000 1.011 211 R CB -2.043 28.305 30.300 0.079 0.000 1.501 211 R HN 0.447 8.748 8.270 0.052 0.000 0.553 212 R N -1.321 119.405 120.500 0.377 0.000 2.637 212 R HA 0.522 nan 4.340 nan 0.000 0.291 212 R C -2.146 174.074 176.300 -0.134 0.000 0.963 212 R CA -3.331 52.870 56.100 0.169 0.000 0.901 212 R CB 1.336 31.672 30.300 0.060 0.000 1.160 212 R HN -0.562 7.783 8.270 0.257 0.079 0.457 213 P HA 0.233 nan 4.420 nan 0.000 0.271 213 P C -1.327 175.743 177.300 -0.384 0.000 1.216 213 P CA 0.764 63.282 63.100 -0.969 0.000 0.771 213 P CB 0.410 31.391 31.700 -1.199 0.000 0.864 214 V N 2.373 122.140 119.914 -0.246 0.000 3.165 214 V HA 0.272 nan 4.120 nan 0.000 0.231 214 V C -0.124 175.930 176.094 -0.066 0.000 1.365 214 V CA 0.822 63.065 62.300 -0.095 0.000 1.286 214 V CB 2.340 34.163 31.823 0.001 0.000 1.081 214 V HN 0.555 8.571 8.190 -0.289 0.000 0.477 215 T N 2.769 117.288 114.554 -0.059 0.000 2.933 215 T HA 0.355 nan 4.350 nan 0.000 0.305 215 T C -2.468 172.215 174.700 -0.028 0.000 1.092 215 T CA -0.187 61.908 62.100 -0.007 0.000 1.008 215 T CB 3.127 72.047 68.868 0.088 0.000 1.102 215 T HN -0.449 7.740 8.240 -0.086 0.000 0.469 216 E N 2.946 123.130 120.200 -0.027 0.000 2.272 216 E HA 0.801 nan 4.350 nan 0.000 0.269 216 E C -1.355 175.215 176.600 -0.048 0.000 0.877 216 E CA -0.861 55.511 56.400 -0.047 0.000 0.755 216 E CB 3.037 32.703 29.700 -0.056 0.000 1.192 216 E HN 0.191 8.543 8.360 -0.012 0.000 0.422 217 I N 1.480 122.002 120.570 -0.079 0.000 2.647 217 I HA 0.229 nan 4.170 nan 0.000 0.295 217 I C -1.939 174.130 176.117 -0.080 0.000 1.078 217 I CA -1.357 59.877 61.300 -0.110 0.000 1.048 217 I CB 4.077 41.916 38.000 -0.270 0.000 1.239 217 I HN 0.668 8.832 8.210 -0.077 0.000 0.421 218 N N 2.982 121.662 118.700 -0.033 0.000 2.443 218 N HA 0.513 nan 4.740 nan 0.000 0.293 218 N C 0.142 175.651 175.510 -0.003 0.000 1.159 218 N CA -1.261 51.775 53.050 -0.023 0.000 0.904 218 N CB 2.194 40.680 38.487 -0.002 0.000 1.214 218 N HN -0.156 8.217 8.380 -0.011 0.000 0.513 219 T N -0.287 114.219 114.554 -0.080 0.000 2.819 219 T HA -0.187 nan 4.350 nan 0.000 0.282 219 T C 0.352 175.049 174.700 -0.005 0.000 1.013 219 T CA 1.162 63.158 62.100 -0.173 0.000 1.159 219 T CB -0.393 68.391 68.868 -0.140 0.000 1.007 219 T HN 0.087 8.279 8.240 -0.079 0.000 0.514 220 W N 3.053 124.290 121.300 -0.105 0.000 2.574 220 W HA 0.123 nan 4.660 nan 0.000 0.282 220 W C -0.729 175.757 176.519 -0.055 0.000 1.197 220 W CA -0.019 57.270 57.345 -0.094 0.000 1.376 220 W CB -0.242 29.130 29.460 -0.147 0.000 1.091 220 W HN -0.173 7.890 8.180 -0.282 -0.052 0.569 221 A N -2.221 120.498 122.820 -0.169 0.000 2.220 221 A HA 0.146 nan 4.320 nan 0.000 0.211 221 A C -0.445 177.074 177.584 -0.109 0.000 1.176 221 A CA -0.295 51.689 52.037 -0.089 0.000 0.834 221 A CB 0.882 19.796 19.000 -0.143 0.000 0.868 221 A HN -0.591 7.265 8.150 -0.749 -0.155 0.488 222 R N -5.803 114.603 120.500 -0.157 0.000 3.770 222 R HA -0.401 nan 4.340 nan 0.000 0.305 222 R C -1.275 174.972 176.300 -0.088 0.000 1.184 222 R CA 0.578 56.620 56.100 -0.098 0.000 0.823 222 R CB -2.408 27.867 30.300 -0.042 0.000 1.285 222 R HN -0.284 7.933 8.270 -0.232 -0.086 0.499 223 N N -0.625 118.000 118.700 -0.125 0.000 2.648 223 N HA 0.193 nan 4.740 nan 0.000 0.261 223 N C -1.508 173.946 175.510 -0.093 0.000 1.138 223 N CA -0.729 52.267 53.050 -0.091 0.000 0.804 223 N CB 1.377 39.817 38.487 -0.078 0.000 1.237 223 N HN -0.427 7.993 8.380 -0.182 -0.148 0.532 224 I N 1.740 122.282 120.570 -0.047 0.000 7.174 224 I HA -0.532 nan 4.170 nan 0.000 0.126 224 I C -1.174 174.964 176.117 0.035 0.000 1.730 224 I CA 0.679 61.993 61.300 0.023 0.000 2.263 224 I CB -1.685 36.288 38.000 -0.045 0.000 3.407 224 I HN 0.673 8.759 8.210 -0.034 0.103 0.233 225 L N 4.039 125.249 121.223 -0.022 0.000 2.678 225 L HA -0.190 nan 4.340 nan 0.000 0.285 225 L C -0.988 175.957 176.870 0.126 0.000 1.233 225 L CA 1.382 56.150 54.840 -0.121 0.000 0.920 225 L CB -0.140 41.788 42.059 -0.220 0.000 1.176 225 L HN -0.043 8.169 8.230 -0.031 0.000 0.495 226 R N 3.049 123.629 120.500 0.133 0.000 2.680 226 R HA 0.539 nan 4.340 nan 0.000 0.269 226 R C -1.678 174.725 176.300 0.172 0.000 1.026 226 R CA -1.391 54.835 56.100 0.210 0.000 0.889 226 R CB 2.956 33.380 30.300 0.207 0.000 1.241 226 R HN 0.377 8.686 8.270 0.065 0.000 0.463 227 T N -0.237 114.356 114.554 0.064 0.000 2.708 227 T HA 0.461 nan 4.350 nan 0.000 0.256 227 T C 0.332 174.987 174.700 -0.075 0.000 0.946 227 T CA -1.554 60.472 62.100 -0.124 0.000 1.039 227 T CB 1.230 69.893 68.868 -0.342 0.000 1.557 227 T HN 0.215 8.512 8.240 0.095 0.000 0.576 228 Q N -0.603 119.103 119.800 -0.156 0.000 2.119 228 Q HA -0.161 nan 4.340 nan 0.000 0.201 228 Q C 1.230 177.172 176.000 -0.098 0.000 0.972 228 Q CA 2.697 58.423 55.803 -0.129 0.000 0.847 228 Q CB 0.409 29.037 28.738 -0.183 0.000 0.903 228 Q HN 0.329 8.452 8.270 -0.246 0.000 0.433 229 E N -6.103 114.028 120.200 -0.114 0.000 3.070 229 E HA -0.429 nan 4.350 nan 0.000 0.285 229 E C -1.895 174.512 176.600 -0.322 0.000 0.972 229 E CA 1.300 57.667 56.400 -0.055 0.000 0.915 229 E CB -2.336 27.473 29.700 0.182 0.000 1.466 229 E HN 0.070 8.354 8.360 -0.127 0.000 0.432 230 S N -6.233 109.062 115.700 -0.675 0.000 2.636 230 S HA 0.299 nan 4.470 nan 0.000 0.268 230 S C -1.969 172.126 174.600 -0.841 0.000 1.159 230 S CA -1.501 56.058 58.200 -1.068 0.000 0.815 230 S CB 2.732 65.807 63.200 -0.207 0.000 1.130 230 S HN -0.901 7.061 8.310 -0.503 0.046 0.471 231 E N -1.670 118.224 120.200 -0.509 0.000 2.398 231 E HA 0.083 nan 4.350 nan 0.000 0.263 231 E C -0.021 176.530 176.600 -0.081 0.000 1.046 231 E CA -0.327 55.968 56.400 -0.174 0.000 0.908 231 E CB 0.617 30.356 29.700 0.066 0.000 0.963 231 E HN 0.243 8.455 8.360 -0.248 0.000 0.431 232 c N 0.013 118.578 118.600 -0.058 0.000 2.644 232 c HA 0.636 nan 4.570 nan 0.000 0.330 232 c C -0.263 173.846 174.090 0.032 0.000 1.606 232 c CA -1.797 54.516 56.329 -0.027 0.000 2.115 232 c CB 1.039 43.526 42.510 -0.038 0.000 1.990 232 c HN -0.435 7.757 8.230 -0.063 0.000 0.581 233 V N -1.814 118.107 119.914 0.011 0.000 2.808 233 V HA 0.284 nan 4.120 nan 0.000 0.308 233 V C -0.782 175.297 176.094 -0.025 0.000 1.099 233 V CA -1.067 61.212 62.300 -0.035 0.000 0.920 233 V CB 2.455 34.241 31.823 -0.063 0.000 1.014 233 V HN 0.312 8.505 8.190 0.004 0.000 0.425 234 c N 5.226 123.796 118.600 -0.049 0.000 2.630 234 c HA 0.622 nan 4.570 nan 0.000 0.346 234 c C -1.607 172.492 174.090 0.014 0.000 1.245 234 c CA -2.473 53.862 56.329 0.011 0.000 1.804 234 c CB 2.603 45.148 42.510 0.057 0.000 2.279 234 c HN 0.401 8.554 8.230 -0.128 0.000 0.498 235 H N 0.832 119.862 119.070 -0.066 0.000 3.179 235 H HA 0.070 nan 4.556 nan 0.000 0.331 235 H C -1.070 174.216 175.328 -0.069 0.000 1.013 235 H CA 0.167 56.184 56.048 -0.052 0.000 1.430 235 H CB 2.629 32.371 29.762 -0.034 0.000 1.895 235 H HN 0.510 8.824 8.280 0.056 0.000 0.468 236 N N 8.853 127.296 118.700 -0.429 0.000 2.707 236 N HA -0.464 nan 4.740 nan 0.000 0.253 236 N C -0.255 174.930 175.510 -0.542 0.000 0.998 236 N CA 0.749 53.622 53.050 -0.295 0.000 0.751 236 N CB -1.015 37.323 38.487 -0.248 0.000 0.920 236 N HN 0.814 8.910 8.380 -0.468 0.002 0.539 237 G N -6.994 101.297 108.800 -0.848 0.000 2.241 237 G HA2 -0.567 nan 3.960 nan 0.000 0.244 237 G HA3 -0.567 nan 3.960 nan 0.000 0.244 237 G C -1.780 172.813 174.900 -0.511 0.000 0.998 237 G CA 0.343 44.589 45.100 -1.423 0.000 0.621 237 G HN 0.334 8.322 8.290 -0.491 0.008 0.519 238 V N 1.600 121.377 119.914 -0.228 0.000 2.383 238 V HA 0.278 nan 4.120 nan 0.000 0.275 238 V C -1.105 175.032 176.094 0.071 0.000 1.036 238 V CA -0.604 61.685 62.300 -0.017 0.000 0.889 238 V CB 0.152 32.006 31.823 0.052 0.000 0.985 238 V HN -0.647 7.249 8.190 -0.214 0.166 0.459 239 c N 7.985 126.669 118.600 0.139 0.000 2.386 239 c HA 0.578 nan 4.570 nan 0.000 0.318 239 c C -1.769 172.461 174.090 0.232 0.000 1.128 239 c CA -3.155 53.266 56.329 0.154 0.000 1.438 239 c CB -0.171 42.420 42.510 0.135 0.000 1.987 239 c HN 1.136 9.359 8.230 0.174 0.112 0.426 240 P HA 0.342 nan 4.420 nan 0.000 0.278 240 P C -1.839 175.475 177.300 0.024 0.000 1.238 240 P CA -0.466 62.607 63.100 -0.044 0.000 0.794 240 P CB 0.635 32.156 31.700 -0.297 0.000 0.955 241 V N 0.297 120.263 119.914 0.086 0.000 2.760 241 V HA 0.378 nan 4.120 nan 0.000 0.309 241 V C -0.913 175.203 176.094 0.037 0.000 1.077 241 V CA -0.821 61.497 62.300 0.030 0.000 0.910 241 V CB 3.787 35.633 31.823 0.038 0.000 1.008 241 V HN 0.455 8.713 8.190 0.112 0.000 0.424 242 V N 5.011 124.878 119.914 -0.078 0.000 2.406 242 V HA 0.608 nan 4.120 nan 0.000 0.272 242 V C -1.139 174.974 176.094 0.032 0.000 1.043 242 V CA -0.935 61.379 62.300 0.023 0.000 0.915 242 V CB -0.570 31.234 31.823 -0.033 0.000 0.988 242 V HN -0.284 8.044 8.190 -0.147 -0.227 0.466 243 F N 5.791 125.854 119.950 0.190 0.000 2.538 243 F HA 0.577 nan 4.527 nan 0.000 0.325 243 F C -0.922 175.023 175.800 0.241 0.000 1.066 243 F CA -2.385 55.752 58.000 0.229 0.000 0.946 243 F CB 3.688 42.935 39.000 0.411 0.000 1.199 243 F HN 0.576 9.282 8.300 0.677 0.000 0.473 244 T N 3.551 118.292 114.554 0.312 0.000 2.841 244 T HA 0.499 nan 4.350 nan 0.000 0.283 244 T C -2.451 172.224 174.700 -0.041 0.000 1.000 244 T CA -0.460 61.737 62.100 0.162 0.000 0.977 244 T CB 2.097 70.992 68.868 0.044 0.000 0.979 244 T HN 0.581 8.981 8.240 0.268 0.000 0.446 245 D N 4.221 124.513 120.400 -0.180 0.000 2.696 245 D HA 0.813 nan 4.640 nan 0.000 0.251 245 D C -1.185 174.977 176.300 -0.230 0.000 1.188 245 D CA -1.215 52.505 54.000 -0.467 0.000 0.876 245 D CB 3.289 43.274 40.800 -1.358 0.000 1.334 245 D HN 0.602 8.887 8.370 0.044 0.111 0.540 246 G N 4.384 113.090 108.800 -0.157 0.000 2.320 246 G HA2 -0.099 nan 3.960 nan 0.000 0.274 246 G HA3 -0.099 nan 3.960 nan 0.000 0.274 246 G C -2.353 172.513 174.900 -0.056 0.000 1.324 246 G CA -0.073 44.973 45.100 -0.090 0.000 0.957 246 G HN 0.488 8.686 8.290 -0.153 0.000 0.481 247 S N -0.709 114.959 115.700 -0.052 0.000 2.584 247 S HA -0.039 nan 4.470 nan 0.000 0.270 247 S C 1.076 175.699 174.600 0.038 0.000 1.346 247 S CA -1.255 56.916 58.200 -0.048 0.000 1.018 247 S CB 0.593 63.725 63.200 -0.113 0.000 0.899 247 S HN 0.373 8.645 8.310 -0.063 0.000 0.542 248 A N 3.458 126.284 122.820 0.011 0.000 2.229 248 A HA 0.232 nan 4.320 nan 0.000 0.211 248 A C -0.321 177.182 177.584 -0.135 0.000 1.193 248 A CA 1.034 53.103 52.037 0.054 0.000 0.879 248 A CB 0.981 20.005 19.000 0.040 0.000 0.911 248 A HN 0.513 8.642 8.150 -0.036 0.000 0.492 249 T N -6.217 108.238 114.554 -0.166 0.000 3.374 249 T HA 0.294 nan 4.350 nan 0.000 0.267 249 T C -0.504 173.952 174.700 -0.407 0.000 0.996 249 T CA -1.855 60.152 62.100 -0.155 0.000 0.977 249 T CB -0.292 68.557 68.868 -0.032 0.000 1.149 249 T HN -0.620 7.546 8.240 -0.123 0.000 0.517 250 G N -0.043 108.200 108.800 -0.929 0.000 2.430 250 G HA2 0.207 nan 3.960 nan 0.000 0.300 250 G HA3 0.207 nan 3.960 nan 0.000 0.300 250 G C -3.194 171.022 174.900 -1.140 0.000 1.330 250 G CA -0.160 44.106 45.100 -1.390 0.000 0.813 250 G HN -0.839 6.901 8.290 -0.814 0.062 0.487 251 P HA -0.087 nan 4.420 nan 0.000 0.262 251 P C -1.330 175.898 177.300 -0.121 0.000 1.182 251 P CA 0.691 63.669 63.100 -0.202 0.000 0.761 251 P CB 0.209 31.865 31.700 -0.073 0.000 0.795 252 A N 3.180 125.964 122.820 -0.060 0.000 2.524 252 A HA 0.491 nan 4.320 nan 0.000 0.286 252 A C -1.747 175.855 177.584 0.030 0.000 1.203 252 A CA -1.501 50.507 52.037 -0.048 0.000 0.736 252 A CB 3.132 22.056 19.000 -0.127 0.000 1.322 252 A HN -0.166 7.972 8.150 -0.020 0.000 0.424 253 E N -0.440 119.824 120.200 0.107 0.000 2.114 253 E HA 0.245 nan 4.350 nan 0.000 0.266 253 E C -1.138 175.681 176.600 0.364 0.000 0.896 253 E CA -1.314 55.240 56.400 0.257 0.000 0.750 253 E CB 1.800 31.762 29.700 0.437 0.000 1.121 253 E HN 0.100 8.504 8.360 0.072 0.000 0.413 254 T N 6.868 121.563 114.554 0.236 0.000 2.824 254 T HA 0.675 nan 4.350 nan 0.000 0.280 254 T C -1.521 173.287 174.700 0.180 0.000 0.995 254 T CA -0.367 61.876 62.100 0.239 0.000 1.009 254 T CB 1.279 70.216 68.868 0.116 0.000 0.955 254 T HN 0.498 8.837 8.240 0.166 0.000 0.452 255 R N 2.968 123.585 120.500 0.194 0.000 2.686 255 R HA 0.878 nan 4.340 nan 0.000 0.286 255 R C -1.372 174.969 176.300 0.068 0.000 0.969 255 R CA -1.618 54.482 56.100 -0.000 0.000 0.898 255 R CB 3.696 33.736 30.300 -0.434 0.000 1.183 255 R HN 0.810 9.309 8.270 0.381 0.000 0.456 256 I N 2.742 123.250 120.570 -0.102 0.000 2.297 256 I HA 0.393 nan 4.170 nan 0.000 0.291 256 I C -1.002 174.931 176.117 -0.306 0.000 1.033 256 I CA -2.071 59.093 61.300 -0.227 0.000 1.253 256 I CB -1.200 36.501 38.000 -0.498 0.000 1.396 256 I HN 0.521 8.668 8.210 -0.104 0.000 0.476 257 Y N 7.587 127.793 120.300 -0.156 0.000 2.310 257 Y HA 0.227 nan 4.550 nan 0.000 0.326 257 Y C -1.035 174.565 175.900 -0.499 0.000 1.151 257 Y CA -0.815 57.133 58.100 -0.253 0.000 1.195 257 Y CB 2.183 40.474 38.460 -0.282 0.000 1.210 257 Y HN 0.628 9.061 8.280 0.255 0.000 0.483 258 Y N 0.325 120.508 120.300 -0.196 0.000 2.345 258 Y HA 0.210 nan 4.550 nan 0.000 0.331 258 Y C -1.372 174.402 175.900 -0.210 0.000 0.959 258 Y CA -1.717 56.319 58.100 -0.106 0.000 1.204 258 Y CB 0.746 39.163 38.460 -0.071 0.000 1.135 258 Y HN 0.692 8.929 8.280 -0.071 0.000 0.477 259 F N 3.483 123.540 119.950 0.178 0.000 2.422 259 F HA 0.651 nan 4.527 nan 0.000 0.333 259 F C -1.235 174.581 175.800 0.026 0.000 1.095 259 F CA -1.181 56.881 58.000 0.103 0.000 1.038 259 F CB 2.679 41.726 39.000 0.078 0.000 1.156 259 F HN 0.269 8.724 8.300 0.438 0.108 0.483 260 K N 1.087 121.575 120.400 0.146 0.000 2.541 260 K HA 0.289 nan 4.320 nan 0.000 0.250 260 K C -0.602 175.949 176.600 -0.082 0.000 0.950 260 K CA -0.756 55.528 56.287 -0.004 0.000 0.805 260 K CB 2.604 35.089 32.500 -0.025 0.000 1.166 260 K HN 0.644 8.989 8.250 0.159 0.000 0.430 261 E N 6.975 127.021 120.200 -0.256 0.000 2.586 261 E HA -0.362 nan 4.350 nan 0.000 0.259 261 E C -0.679 175.451 176.600 -0.783 0.000 1.107 261 E CA 1.074 57.075 56.400 -0.665 0.000 0.754 261 E CB -0.867 28.698 29.700 -0.226 0.000 1.335 261 E HN 1.068 9.310 8.360 -0.196 0.000 0.411 262 G N -7.125 101.378 108.800 -0.496 0.000 2.179 262 G HA2 -0.532 nan 3.960 nan 0.000 0.260 262 G HA3 -0.532 nan 3.960 nan 0.000 0.260 262 G C -0.826 174.127 174.900 0.088 0.000 0.977 262 G CA 0.123 45.131 45.100 -0.154 0.000 0.641 262 G HN 0.328 8.380 8.290 -0.341 0.034 0.533 263 K N -0.142 120.317 120.400 0.098 0.000 2.156 263 K HA 0.414 nan 4.320 nan 0.000 0.254 263 K C -0.875 175.838 176.600 0.188 0.000 0.950 263 K CA -2.305 54.062 56.287 0.134 0.000 0.849 263 K CB 2.127 34.655 32.500 0.047 0.000 1.100 263 K HN -0.023 8.049 8.250 0.016 0.187 0.434 264 I N 2.521 123.171 120.570 0.133 0.000 2.471 264 I HA -0.093 nan 4.170 nan 0.000 0.286 264 I C 0.192 176.322 176.117 0.021 0.000 1.079 264 I CA 1.078 62.388 61.300 0.017 0.000 1.398 264 I CB -0.091 37.952 38.000 0.072 0.000 1.403 264 I HN 0.328 8.617 8.210 0.132 0.000 0.530 265 L N 8.323 129.544 121.223 -0.003 0.000 2.168 265 L HA 0.012 nan 4.340 nan 0.000 0.203 265 L C -0.255 176.601 176.870 -0.025 0.000 1.078 265 L CA 1.603 56.441 54.840 -0.004 0.000 0.780 265 L CB 0.959 43.020 42.059 0.002 0.000 0.939 265 L HN 0.841 9.048 8.230 -0.039 0.000 0.451 266 K N -3.660 116.741 120.400 0.001 0.000 2.703 266 K HA 0.144 nan 4.320 nan 0.000 0.285 266 K C -2.674 173.945 176.600 0.031 0.000 1.014 266 K CA -0.388 55.867 56.287 -0.053 0.000 0.858 266 K CB 2.671 35.097 32.500 -0.123 0.000 1.467 266 K HN -0.666 7.599 8.250 0.025 0.000 0.383 267 W N -0.799 120.339 121.300 -0.269 0.000 3.075 267 W HA 0.792 nan 4.660 nan 0.000 0.334 267 W C -2.228 174.105 176.519 -0.309 0.000 1.243 267 W CA -1.290 55.758 57.345 -0.495 0.000 1.170 267 W CB 3.188 31.844 29.460 -1.340 0.000 1.452 267 W HN 0.092 7.960 8.180 -0.520 0.000 0.572 268 E N -2.465 117.805 120.200 0.117 0.000 2.335 268 E HA 0.481 nan 4.350 nan 0.000 0.280 268 E C -2.672 174.072 176.600 0.240 0.000 0.918 268 E CA -3.335 53.089 56.400 0.040 0.000 0.765 268 E CB 1.750 31.487 29.700 0.062 0.000 1.218 268 E HN 0.379 8.813 8.360 0.124 0.000 0.425 269 P HA 0.009 nan 4.420 nan 0.000 0.269 269 P C -0.629 176.816 177.300 0.242 0.000 1.211 269 P CA 0.103 63.337 63.100 0.223 0.000 0.781 269 P CB 0.553 32.360 31.700 0.178 0.000 0.877 270 L N 1.422 122.767 121.223 0.203 0.000 2.485 270 L HA -0.179 nan 4.340 nan 0.000 0.275 270 L C -1.229 175.794 176.870 0.255 0.000 1.207 270 L CA 1.032 56.044 54.840 0.286 0.000 0.855 270 L CB 0.494 42.655 42.059 0.169 0.000 1.114 270 L HN -0.489 7.836 8.230 0.158 0.000 0.485 271 A N 3.967 126.939 122.820 0.254 0.000 2.486 271 A HA 0.509 nan 4.320 nan 0.000 0.289 271 A C -1.450 176.118 177.584 -0.027 0.000 1.176 271 A CA -0.949 51.070 52.037 -0.029 0.000 0.757 271 A CB 2.405 21.217 19.000 -0.314 0.000 1.337 271 A HN 0.365 8.821 8.150 0.510 0.000 0.423 272 G N -1.447 107.328 108.800 -0.043 0.000 2.545 272 G HA2 -0.255 nan 3.960 nan 0.000 0.216 272 G HA3 -0.255 nan 3.960 nan 0.000 0.216 272 G C -0.436 174.481 174.900 0.028 0.000 1.314 272 G CA 0.096 45.185 45.100 -0.017 0.000 0.906 272 G HN -0.067 8.200 8.290 -0.038 0.000 0.563 273 T N -2.560 112.020 114.554 0.043 0.000 3.054 273 T HA 0.131 nan 4.350 nan 0.000 0.255 273 T C 0.797 175.579 174.700 0.138 0.000 1.035 273 T CA -0.472 61.687 62.100 0.098 0.000 0.941 273 T CB 0.627 69.571 68.868 0.126 0.000 1.026 273 T HN 0.015 8.269 8.240 0.024 0.000 0.533 274 A N 1.928 124.749 122.820 0.002 0.000 2.498 274 A HA -0.080 nan 4.320 nan 0.000 0.239 274 A C -0.511 177.144 177.584 0.119 0.000 1.068 274 A CA 0.841 52.797 52.037 -0.135 0.000 0.766 274 A CB 0.327 19.175 19.000 -0.252 0.000 1.003 274 A HN -0.149 7.986 8.150 -0.024 0.000 0.497 275 K N 0.643 121.208 120.400 0.275 0.000 2.323 275 K HA 0.014 nan 4.320 nan 0.000 0.197 275 K C -0.631 176.290 176.600 0.535 0.000 1.043 275 K CA 0.237 56.759 56.287 0.391 0.000 0.997 275 K CB 1.183 33.902 32.500 0.366 0.000 0.807 275 K HN -0.049 8.389 8.250 0.312 0.000 0.497 276 H N -3.966 115.304 119.070 0.333 0.000 3.140 276 H HA 0.150 nan 4.556 nan 0.000 0.336 276 H C -1.931 173.513 175.328 0.192 0.000 1.142 276 H CA -0.272 55.974 56.048 0.331 0.000 1.308 276 H CB 2.566 32.699 29.762 0.618 0.000 1.970 276 H HN -0.499 7.984 8.280 0.338 0.000 0.521 277 I N 4.408 124.922 120.570 -0.093 0.000 2.498 277 I HA 0.278 nan 4.170 nan 0.000 0.290 277 I C -1.717 174.406 176.117 0.011 0.000 1.032 277 I CA -1.141 60.162 61.300 0.006 0.000 1.073 277 I CB 2.685 40.676 38.000 -0.014 0.000 1.251 277 I HN 0.448 8.383 8.210 -0.457 0.000 0.426 278 E N 4.939 125.191 120.200 0.086 0.000 2.372 278 E HA 0.257 nan 4.350 nan 0.000 0.279 278 E C -1.764 174.858 176.600 0.037 0.000 0.946 278 E CA -1.234 55.215 56.400 0.082 0.000 0.769 278 E CB 4.159 33.952 29.700 0.155 0.000 1.230 278 E HN 0.562 8.979 8.360 0.097 0.002 0.442 279 E N -0.501 119.711 120.200 0.019 0.000 2.369 279 E HA -0.411 nan 4.350 nan 0.000 0.165 279 E C -1.140 175.436 176.600 -0.040 0.000 1.622 279 E CA 0.552 56.939 56.400 -0.022 0.000 0.660 279 E CB -1.355 28.302 29.700 -0.071 0.000 1.085 279 E HN 0.509 8.891 8.360 0.036 0.000 0.346 280 c N 1.485 120.061 118.600 -0.040 0.000 2.527 280 c HA 0.305 nan 4.570 nan 0.000 0.396 280 c C 0.184 174.257 174.090 -0.030 0.000 1.289 280 c CA -0.118 56.191 56.329 -0.034 0.000 2.047 280 c CB 0.706 43.191 42.510 -0.042 0.000 2.568 280 c HN 0.254 8.454 8.230 -0.050 0.000 0.573 281 S N 4.079 119.783 115.700 0.007 0.000 2.438 281 S HA 0.225 nan 4.470 nan 0.000 0.316 281 S C -1.708 172.926 174.600 0.057 0.000 1.084 281 S CA 0.464 58.693 58.200 0.048 0.000 1.107 281 S CB 1.311 64.582 63.200 0.119 0.000 0.981 281 S HN 0.862 9.080 8.310 0.013 0.100 0.466 282 c N 4.278 122.911 118.600 0.055 0.000 2.493 282 c HA 1.006 nan 4.570 nan 0.000 0.326 282 c C -0.838 173.338 174.090 0.144 0.000 1.200 282 c CA -1.572 54.775 56.329 0.029 0.000 1.739 282 c CB 2.289 44.786 42.510 -0.022 0.000 2.300 282 c HN 0.255 8.525 8.230 0.068 0.000 0.500 283 Y N -0.566 119.767 120.300 0.055 0.000 2.677 283 Y HA 0.724 nan 4.550 nan 0.000 0.334 283 Y C -2.622 173.369 175.900 0.151 0.000 1.154 283 Y CA -2.524 55.669 58.100 0.156 0.000 1.070 283 Y CB 2.242 40.822 38.460 0.201 0.000 1.294 283 Y HN 1.103 9.179 8.280 -0.340 0.000 0.475 284 G N -1.742 107.212 108.800 0.257 0.000 2.701 284 G HA2 0.655 nan 3.960 nan 0.000 0.300 284 G HA3 0.655 nan 3.960 nan 0.000 0.300 284 G C -2.417 172.711 174.900 0.381 0.000 1.410 284 G CA -0.435 44.735 45.100 0.116 0.000 1.014 284 G HN -0.513 8.128 8.290 0.584 0.000 0.509 285 E N 2.235 122.632 120.200 0.329 0.000 2.392 285 E HA 0.445 nan 4.350 nan 0.000 0.279 285 E C -0.524 176.215 176.600 0.231 0.000 0.964 285 E CA -1.957 54.710 56.400 0.445 0.000 0.777 285 E CB 2.802 32.806 29.700 0.506 0.000 1.249 285 E HN 0.379 8.842 8.360 0.172 0.000 0.449 286 R N 1.319 121.934 120.500 0.192 0.000 3.225 286 R HA -0.519 nan 4.340 nan 0.000 0.245 286 R C -0.386 175.934 176.300 0.032 0.000 0.928 286 R CA 1.144 57.301 56.100 0.094 0.000 0.632 286 R CB -2.256 28.083 30.300 0.065 0.000 1.038 286 R HN 0.672 9.077 8.270 0.225 0.000 0.461 287 A N -5.164 117.650 122.820 -0.009 0.000 2.822 287 A HA -0.491 nan 4.320 nan 0.000 0.287 287 A C -1.727 175.723 177.584 -0.223 0.000 1.479 287 A CA 1.236 53.093 52.037 -0.300 0.000 0.779 287 A CB -0.836 17.977 19.000 -0.311 0.000 1.022 287 A HN 0.133 8.246 8.150 0.100 0.097 0.532 288 E N -3.258 116.882 120.200 -0.100 0.000 2.308 288 E HA 0.566 nan 4.350 nan 0.000 0.275 288 E C -2.371 174.181 176.600 -0.080 0.000 0.890 288 E CA -1.469 54.886 56.400 -0.075 0.000 0.754 288 E CB 3.420 33.101 29.700 -0.030 0.000 1.207 288 E HN -0.630 7.580 8.360 -0.029 0.132 0.426 289 I N 5.861 126.372 120.570 -0.099 0.000 2.378 289 I HA 0.521 nan 4.170 nan 0.000 0.291 289 I C -1.630 174.364 176.117 -0.205 0.000 0.992 289 I CA -1.227 59.983 61.300 -0.151 0.000 1.154 289 I CB 2.381 40.328 38.000 -0.087 0.000 1.315 289 I HN 0.815 8.981 8.210 -0.073 0.000 0.448 290 T N 9.052 123.364 114.554 -0.405 0.000 2.786 290 T HA 0.551 nan 4.350 nan 0.000 0.283 290 T C -1.407 173.119 174.700 -0.291 0.000 0.992 290 T CA -0.737 61.144 62.100 -0.364 0.000 0.954 290 T CB 0.717 69.291 68.868 -0.491 0.000 0.934 290 T HN 0.718 8.485 8.240 -0.612 0.105 0.440 291 c N 7.955 126.476 118.600 -0.132 0.000 2.322 291 c HA 0.768 nan 4.570 nan 0.000 0.324 291 c C -0.678 173.392 174.090 -0.034 0.000 1.284 291 c CA -1.366 54.922 56.329 -0.068 0.000 1.606 291 c CB 1.090 43.564 42.510 -0.059 0.000 2.251 291 c HN 1.118 9.286 8.230 -0.104 0.000 0.502 292 T N 6.631 121.184 114.554 -0.002 0.000 2.743 292 T HA 0.535 nan 4.350 nan 0.000 0.292 292 T C -0.875 173.824 174.700 -0.001 0.000 0.972 292 T CA 0.256 62.355 62.100 -0.001 0.000 0.967 292 T CB 0.073 68.943 68.868 0.004 0.000 0.926 292 T HN 0.600 8.853 8.240 0.022 0.000 0.459 293 c N 6.749 125.342 118.600 -0.012 0.000 2.824 293 c HA 0.978 nan 4.570 nan 0.000 0.405 293 c C -1.714 172.386 174.090 0.016 0.000 2.178 293 c CA -2.221 54.105 56.329 -0.004 0.000 1.755 293 c CB 3.542 46.047 42.510 -0.008 0.000 2.291 293 c HN 0.808 9.025 8.230 -0.021 0.000 0.462 294 R N 0.660 121.187 120.500 0.045 0.000 2.483 294 R HA 0.227 nan 4.340 nan 0.000 0.303 294 R C -2.420 173.990 176.300 0.183 0.000 0.987 294 R CA -0.998 55.153 56.100 0.085 0.000 0.881 294 R CB 2.867 33.194 30.300 0.046 0.000 1.177 294 R HN 0.245 8.544 8.270 0.047 0.000 0.451 295 D N 6.889 127.421 120.400 0.220 0.000 2.374 295 D HA -0.019 nan 4.640 nan 0.000 0.240 295 D C -0.293 176.154 176.300 0.246 0.000 1.229 295 D CA -0.886 53.316 54.000 0.336 0.000 0.895 295 D CB 0.257 41.259 40.800 0.336 0.000 1.046 295 D HN 0.401 8.879 8.370 0.180 0.000 0.498 296 N N 6.574 125.408 118.700 0.223 0.000 2.457 296 N HA -0.076 nan 4.740 nan 0.000 0.180 296 N C 0.717 176.246 175.510 0.031 0.000 1.050 296 N CA 2.180 55.262 53.050 0.054 0.000 0.906 296 N CB 0.855 39.364 38.487 0.037 0.000 0.968 296 N HN 0.221 8.903 8.380 0.503 0.000 0.445 297 W N -5.423 115.670 121.300 -0.346 0.000 3.103 297 W HA 0.350 nan 4.660 nan 0.000 0.325 297 W C 0.466 176.932 176.519 -0.088 0.000 1.170 297 W CA 0.267 57.479 57.345 -0.222 0.000 1.712 297 W CB 0.045 29.336 29.460 -0.281 0.000 1.068 297 W HN -0.330 8.136 8.180 0.198 -0.167 0.592 298 Q N -0.446 119.225 119.800 -0.214 0.000 2.452 298 Q HA 0.067 nan 4.340 nan 0.000 0.190 298 Q C -0.613 175.280 176.000 -0.179 0.000 0.710 298 Q CA 0.948 56.531 55.803 -0.368 0.000 0.917 298 Q CB 2.382 30.651 28.738 -0.782 0.000 1.282 298 Q HN -0.767 7.559 8.270 -0.053 -0.087 0.447 299 G N -1.567 107.186 108.800 -0.077 0.000 2.361 299 G HA2 -0.023 nan 3.960 nan 0.000 0.260 299 G HA3 -0.023 nan 3.960 nan 0.000 0.260 299 G C -0.124 174.812 174.900 0.059 0.000 1.261 299 G CA 0.072 45.177 45.100 0.008 0.000 0.897 299 G HN -0.133 8.502 8.290 -0.059 -0.381 0.499 300 S N 3.628 119.365 115.700 0.062 0.000 2.486 300 S HA 0.048 nan 4.470 nan 0.000 0.220 300 S C -0.559 174.074 174.600 0.056 0.000 1.011 300 S CA 1.982 60.226 58.200 0.074 0.000 0.921 300 S CB 1.109 64.378 63.200 0.115 0.000 0.785 300 S HN 0.046 8.390 8.310 0.057 0.000 0.517 301 N N 0.217 118.958 118.700 0.068 0.000 2.508 301 N HA -0.008 nan 4.740 nan 0.000 0.285 301 N C -1.062 174.574 175.510 0.210 0.000 1.144 301 N CA -0.818 52.278 53.050 0.076 0.000 0.978 301 N CB 0.978 39.486 38.487 0.035 0.000 1.180 301 N HN -0.675 7.708 8.380 0.069 0.038 0.484 302 R N -1.728 118.878 120.500 0.178 0.000 2.312 302 R HA 0.389 nan 4.340 nan 0.000 0.311 302 R C -1.711 174.669 176.300 0.133 0.000 1.004 302 R CA -3.068 53.124 56.100 0.153 0.000 0.902 302 R CB 0.554 30.882 30.300 0.047 0.000 1.073 302 R HN 0.405 8.744 8.270 0.114 0.000 0.457 303 P HA 0.302 nan 4.420 nan 0.000 0.274 303 P C -1.633 175.579 177.300 -0.147 0.000 1.237 303 P CA -0.284 62.602 63.100 -0.357 0.000 0.793 303 P CB 0.442 31.866 31.700 -0.460 0.000 0.977 304 V N -1.166 118.662 119.914 -0.143 0.000 2.623 304 V HA 0.563 nan 4.120 nan 0.000 0.304 304 V C -0.839 175.226 176.094 -0.049 0.000 1.054 304 V CA -0.828 61.435 62.300 -0.063 0.000 0.882 304 V CB 2.486 34.294 31.823 -0.025 0.000 1.002 304 V HN 0.208 8.180 8.190 -0.214 0.089 0.424 305 I N 5.836 126.389 120.570 -0.028 0.000 2.336 305 I HA 0.472 nan 4.170 nan 0.000 0.292 305 I C -1.695 174.421 176.117 -0.001 0.000 0.991 305 I CA -0.859 60.448 61.300 0.012 0.000 1.227 305 I CB 1.907 39.910 38.000 0.006 0.000 1.366 305 I HN 0.625 8.813 8.210 -0.037 0.000 0.466 306 R N 7.610 128.126 120.500 0.025 0.000 2.346 306 R HA 0.782 nan 4.340 nan 0.000 0.311 306 R C -1.855 174.475 176.300 0.050 0.000 0.983 306 R CA -1.255 54.849 56.100 0.006 0.000 0.880 306 R CB 1.823 32.125 30.300 0.003 0.000 1.100 306 R HN 0.651 8.950 8.270 0.050 0.000 0.453 307 I N 4.577 125.161 120.570 0.023 0.000 2.569 307 I HA 0.425 nan 4.170 nan 0.000 0.296 307 I C -2.311 173.833 176.117 0.045 0.000 1.028 307 I CA -1.223 60.121 61.300 0.075 0.000 1.082 307 I CB 3.727 41.763 38.000 0.060 0.000 1.264 307 I HN 0.955 9.053 8.210 -0.022 0.099 0.429 308 D N 6.431 126.875 120.400 0.073 0.000 2.414 308 D HA 0.513 nan 4.640 nan 0.000 0.232 308 D C -1.576 174.740 176.300 0.027 0.000 1.070 308 D CA -3.373 50.633 54.000 0.011 0.000 0.839 308 D CB 2.372 43.166 40.800 -0.010 0.000 1.079 308 D HN 0.061 8.505 8.370 0.123 0.000 0.521 309 P HA 0.028 nan 4.420 nan 0.000 0.231 309 P C -0.192 177.116 177.300 0.014 0.000 1.168 309 P CA 0.781 63.913 63.100 0.053 0.000 0.779 309 P CB 0.425 32.153 31.700 0.047 0.000 0.844 310 V N -1.845 118.050 119.914 -0.032 0.000 2.379 310 V HA -0.064 nan 4.120 nan 0.000 0.243 310 V C 1.335 177.388 176.094 -0.069 0.000 1.035 310 V CA 2.007 64.298 62.300 -0.015 0.000 1.035 310 V CB -0.324 31.499 31.823 -0.000 0.000 0.673 310 V HN -0.509 7.791 8.190 -0.075 -0.155 0.457 311 A N -3.259 119.510 122.820 -0.086 0.000 2.169 311 A HA 0.077 nan 4.320 nan 0.000 0.212 311 A C -0.154 177.307 177.584 -0.205 0.000 1.153 311 A CA 0.698 52.666 52.037 -0.115 0.000 0.756 311 A CB 0.946 19.897 19.000 -0.082 0.000 0.813 311 A HN -0.719 7.616 8.150 -0.069 -0.227 0.471 312 M N -3.859 115.571 119.600 -0.284 0.000 2.253 312 M HA -0.516 nan 4.480 nan 0.000 0.195 312 M C -1.459 174.594 176.300 -0.411 0.000 0.512 312 M CA 0.549 55.441 55.300 -0.681 0.000 0.442 312 M CB -3.052 28.937 32.600 -1.020 0.000 1.189 312 M HN -0.392 7.735 8.290 -0.188 0.050 0.923 313 T N -7.133 107.377 114.554 -0.073 0.000 2.864 313 T HA 0.578 nan 4.350 nan 0.000 0.289 313 T C -2.252 172.592 174.700 0.240 0.000 1.082 313 T CA -2.609 59.542 62.100 0.084 0.000 1.009 313 T CB 3.231 72.091 68.868 -0.012 0.000 1.234 313 T HN -0.595 7.620 8.240 -0.042 0.000 0.526 314 H N -4.011 115.094 119.070 0.059 0.000 2.933 314 H HA 0.783 nan 4.556 nan 0.000 0.310 314 H C -1.698 173.641 175.328 0.019 0.000 1.351 314 H CA -1.076 55.002 56.048 0.049 0.000 1.137 314 H CB 1.887 31.692 29.762 0.072 0.000 1.853 314 H HN -0.142 8.169 8.280 0.050 0.000 0.539 315 T N -0.601 113.954 114.554 0.001 0.000 2.840 315 T HA 0.250 nan 4.350 nan 0.000 0.317 315 T C -2.661 172.063 174.700 0.040 0.000 1.401 315 T CA -0.452 61.591 62.100 -0.094 0.000 1.028 315 T CB 1.352 70.172 68.868 -0.080 0.000 1.317 315 T HN 0.384 8.707 8.240 0.137 0.000 0.495 316 S N 2.017 117.725 115.700 0.013 0.000 2.634 316 S HA 0.947 nan 4.470 nan 0.000 0.296 316 S C -1.688 172.895 174.600 -0.028 0.000 1.104 316 S CA -1.182 57.020 58.200 0.003 0.000 0.920 316 S CB 3.093 66.298 63.200 0.008 0.000 1.111 316 S HN 0.177 8.472 8.310 -0.025 0.000 0.493 317 Q N -0.430 119.323 119.800 -0.078 0.000 2.832 317 Q HA 0.577 nan 4.340 nan 0.000 0.322 317 Q C -2.399 173.518 176.000 -0.137 0.000 0.842 317 Q CA -0.109 55.677 55.803 -0.027 0.000 0.780 317 Q CB 4.397 33.151 28.738 0.027 0.000 1.411 317 Q HN 0.161 8.356 8.270 -0.125 0.000 0.490 318 Y N -2.649 117.669 120.300 0.029 0.000 2.509 318 Y HA 0.472 nan 4.550 nan 0.000 0.341 318 Y C 0.114 176.022 175.900 0.013 0.000 1.038 318 Y CA -1.182 56.932 58.100 0.024 0.000 1.089 318 Y CB 3.359 41.835 38.460 0.026 0.000 1.241 318 Y HN -0.018 8.439 8.280 0.295 0.000 0.468 319 I N 1.280 121.956 120.570 0.177 0.000 2.668 319 I HA -0.435 nan 4.170 nan 0.000 0.285 319 I C -0.197 175.965 176.117 0.074 0.000 1.168 319 I CA 1.505 62.858 61.300 0.088 0.000 1.424 319 I CB -0.226 37.801 38.000 0.045 0.000 1.377 319 I HN 0.141 8.468 8.210 0.196 0.000 0.560 320 c N 7.055 125.681 118.600 0.042 0.000 2.466 320 c HA -0.140 nan 4.570 nan 0.000 0.278 320 c C 0.580 174.656 174.090 -0.022 0.000 1.288 320 c CA 1.114 57.454 56.329 0.018 0.000 1.722 320 c CB -0.298 42.221 42.510 0.015 0.000 2.017 320 c HN 0.157 8.302 8.230 0.041 0.110 0.488 321 S N -0.021 115.658 115.700 -0.034 0.000 2.553 321 S HA -0.164 nan 4.470 nan 0.000 0.293 321 S C -0.827 173.708 174.600 -0.109 0.000 1.296 321 S CA 0.594 58.755 58.200 -0.066 0.000 1.046 321 S CB 0.957 64.116 63.200 -0.069 0.000 0.810 321 S HN -0.548 7.751 8.310 -0.019 0.000 0.505 322 P HA 0.058 nan 4.420 nan 0.000 0.245 322 P C -1.398 175.782 177.300 -0.199 0.000 1.206 322 P CA 0.457 63.433 63.100 -0.206 0.000 0.781 322 P CB 0.438 32.033 31.700 -0.175 0.000 0.994 323 V N 1.792 121.617 119.914 -0.147 0.000 2.359 323 V HA -0.205 nan 4.120 nan 0.000 0.248 323 V C -0.326 175.684 176.094 -0.138 0.000 1.091 323 V CA 0.387 62.605 62.300 -0.136 0.000 1.103 323 V CB -2.243 29.508 31.823 -0.121 0.000 1.176 323 V HN -0.784 7.278 8.190 -0.128 0.052 0.488 324 L N 8.348 129.478 121.223 -0.154 0.000 2.453 324 L HA 0.099 nan 4.340 nan 0.000 0.272 324 L C 1.120 177.931 176.870 -0.099 0.000 1.182 324 L CA 0.291 55.053 54.840 -0.130 0.000 0.858 324 L CB 0.407 42.381 42.059 -0.141 0.000 1.120 324 L HN -0.348 7.987 8.230 -0.170 -0.207 0.474 325 T N -0.768 113.739 114.554 -0.078 0.000 3.288 325 T HA 0.197 nan 4.350 nan 0.000 0.293 325 T C -0.715 173.957 174.700 -0.045 0.000 1.008 325 T CA -0.964 61.084 62.100 -0.087 0.000 0.929 325 T CB 0.141 68.934 68.868 -0.126 0.000 1.152 325 T HN 0.475 8.678 8.240 -0.062 0.000 0.517 326 D N 2.053 122.446 120.400 -0.012 0.000 2.529 326 D HA 0.301 nan 4.640 nan 0.000 0.273 326 D C -2.345 173.971 176.300 0.027 0.000 1.197 326 D CA -2.088 51.924 54.000 0.019 0.000 1.070 326 D CB 3.226 44.052 40.800 0.043 0.000 1.134 326 D HN -0.578 7.784 8.370 -0.013 0.000 0.590 327 N N -1.931 116.800 118.700 0.051 0.000 2.554 327 N HA 0.151 nan 4.740 nan 0.000 0.271 327 N C -2.778 172.776 175.510 0.074 0.000 1.081 327 N CA -1.947 51.140 53.050 0.062 0.000 0.994 327 N CB 2.656 41.191 38.487 0.080 0.000 1.641 327 N HN -0.007 8.410 8.380 0.061 0.000 0.511 328 P HA 0.303 nan 4.420 nan 0.000 0.274 328 P C -1.620 175.705 177.300 0.042 0.000 1.246 328 P CA -0.206 62.925 63.100 0.052 0.000 0.795 328 P CB 0.887 32.616 31.700 0.048 0.000 1.006 329 R N -3.291 117.230 120.500 0.035 0.000 2.710 329 R HA 0.471 nan 4.340 nan 0.000 0.270 329 R C -2.808 173.512 176.300 0.033 0.000 1.021 329 R CA -2.286 53.835 56.100 0.034 0.000 0.889 329 R CB 0.992 31.303 30.300 0.018 0.000 1.243 329 R HN 0.009 8.298 8.270 0.033 0.000 0.464 330 P HA 0.121 nan 4.420 nan 0.000 0.286 330 P C -1.648 175.664 177.300 0.021 0.000 1.293 330 P CA -0.730 62.401 63.100 0.051 0.000 0.770 330 P CB 0.600 32.363 31.700 0.106 0.000 1.206 331 N N -0.048 118.661 118.700 0.014 0.000 2.482 331 N HA -0.113 nan 4.740 nan 0.000 0.260 331 N C -1.057 174.421 175.510 -0.053 0.000 1.236 331 N CA 0.247 53.287 53.050 -0.017 0.000 0.938 331 N CB 0.222 38.703 38.487 -0.010 0.000 1.128 331 N HN 0.087 8.483 8.380 0.027 0.000 0.448 332 D N 2.611 122.961 120.400 -0.084 0.000 2.472 332 D HA 0.099 nan 4.640 nan 0.000 0.248 332 D C -0.903 175.326 176.300 -0.119 0.000 1.174 332 D CA -0.716 53.203 54.000 -0.134 0.000 0.883 332 D CB 0.005 40.739 40.800 -0.111 0.000 1.149 332 D HN 0.039 8.368 8.370 -0.068 0.000 0.488 333 P HA 0.120 nan 4.420 nan 0.000 0.289 333 P C 0.438 177.680 177.300 -0.097 0.000 1.299 333 P CA -0.664 62.374 63.100 -0.103 0.000 0.766 333 P CB 1.301 32.935 31.700 -0.109 0.000 1.226 334 T N -6.964 107.555 114.554 -0.057 0.000 3.065 334 T HA -0.016 nan 4.350 nan 0.000 0.252 334 T C -0.951 173.717 174.700 -0.053 0.000 1.099 334 T CA 0.272 62.341 62.100 -0.051 0.000 1.063 334 T CB 0.315 69.165 68.868 -0.030 0.000 0.948 334 T HN 0.278 8.499 8.240 -0.032 0.000 0.506 335 V N 1.299 121.181 119.914 -0.052 0.000 2.888 335 V HA 0.435 nan 4.120 nan 0.000 0.309 335 V C -1.864 174.198 176.094 -0.054 0.000 1.114 335 V CA -1.299 60.977 62.300 -0.039 0.000 0.940 335 V CB 4.127 35.947 31.823 -0.006 0.000 1.021 335 V HN -0.703 7.412 8.190 -0.051 0.044 0.426 336 G N 3.360 112.127 108.800 -0.056 0.000 2.798 336 G HA2 0.497 nan 3.960 nan 0.000 0.286 336 G HA3 0.497 nan 3.960 nan 0.000 0.286 336 G C -2.260 172.647 174.900 0.012 0.000 1.389 336 G CA -1.480 43.581 45.100 -0.065 0.000 0.894 336 G HN 0.083 8.346 8.290 -0.045 0.000 0.488 337 K N -1.129 119.294 120.400 0.038 0.000 2.174 337 K HA 0.267 nan 4.320 nan 0.000 0.275 337 K C -0.334 176.270 176.600 0.007 0.000 1.015 337 K CA -0.163 56.128 56.287 0.007 0.000 0.933 337 K CB 0.728 33.194 32.500 -0.057 0.000 1.025 337 K HN 0.103 8.383 8.250 0.050 0.000 0.463 338 c N 2.375 120.992 118.600 0.028 0.000 2.609 338 c HA 0.140 nan 4.570 nan 0.000 0.305 338 c C 0.002 174.177 174.090 0.142 0.000 1.319 338 c CA 0.672 57.047 56.329 0.077 0.000 1.793 338 c CB 0.666 43.209 42.510 0.055 0.000 2.260 338 c HN 0.534 8.775 8.230 0.018 0.000 0.535 339 N N -2.115 116.646 118.700 0.102 0.000 2.365 339 N HA 0.112 nan 4.740 nan 0.000 0.257 339 N C -2.386 173.196 175.510 0.120 0.000 1.287 339 N CA 0.184 53.337 53.050 0.172 0.000 0.882 339 N CB 1.208 39.758 38.487 0.105 0.000 1.250 339 N HN -0.097 8.309 8.380 0.044 0.000 0.507 340 D N -1.522 118.810 120.400 -0.114 0.000 2.655 340 D HA 0.274 nan 4.640 nan 0.000 0.229 340 D C -2.698 173.133 176.300 -0.780 0.000 1.229 340 D CA -1.969 51.859 54.000 -0.287 0.000 0.807 340 D CB 4.036 44.741 40.800 -0.160 0.000 1.514 340 D HN -0.718 7.538 8.370 -0.191 0.000 0.444 341 P HA -0.044 nan 4.420 nan 0.000 0.271 341 P C -1.711 175.376 177.300 -0.354 0.000 1.220 341 P CA -0.049 62.658 63.100 -0.656 0.000 0.768 341 P CB 0.300 31.775 31.700 -0.375 0.000 0.848 342 Y N 6.684 126.783 120.300 -0.335 0.000 2.436 342 Y HA 0.161 nan 4.550 nan 0.000 0.336 342 Y C -1.703 174.097 175.900 -0.166 0.000 1.049 342 Y CA -1.722 56.254 58.100 -0.206 0.000 1.294 342 Y CB 0.526 38.894 38.460 -0.153 0.000 1.179 342 Y HN 0.395 8.980 8.280 -0.153 -0.396 0.520 343 P HA 0.401 nan 4.420 nan 0.000 0.280 343 P C -1.059 176.099 177.300 -0.236 0.000 1.272 343 P CA -1.169 61.730 63.100 -0.334 0.000 0.819 343 P CB 1.170 32.664 31.700 -0.344 0.000 1.122 344 G N -0.546 108.176 108.800 -0.129 0.000 3.006 344 G HA2 -0.253 nan 3.960 nan 0.000 0.195 344 G HA3 -0.253 nan 3.960 nan 0.000 0.195 344 G C -0.936 173.950 174.900 -0.022 0.000 1.034 344 G CA 0.129 45.194 45.100 -0.059 0.000 0.807 344 G HN 0.430 8.643 8.290 -0.128 0.000 0.469 345 N N 0.988 119.679 118.700 -0.015 0.000 2.225 345 N HA 0.212 nan 4.740 nan 0.000 0.298 345 N C -2.210 173.294 175.510 -0.010 0.000 1.076 345 N CA -0.665 52.383 53.050 -0.003 0.000 0.792 345 N CB 2.648 41.146 38.487 0.019 0.000 1.498 345 N HN -0.111 8.258 8.380 -0.019 0.000 0.474 346 N N 1.183 119.885 118.700 0.004 0.000 2.370 346 N HA 0.116 nan 4.740 nan 0.000 0.303 346 N C -1.123 174.416 175.510 0.049 0.000 1.103 346 N CA -0.821 52.242 53.050 0.021 0.000 0.848 346 N CB 1.073 39.579 38.487 0.032 0.000 1.235 346 N HN 0.205 8.591 8.380 0.010 0.000 0.496 347 N N -0.551 118.199 118.700 0.083 0.000 2.727 347 N HA -0.565 nan 4.740 nan 0.000 0.251 347 N C -1.750 173.791 175.510 0.052 0.000 1.040 347 N CA 1.365 54.461 53.050 0.077 0.000 0.712 347 N CB -1.125 37.404 38.487 0.070 0.000 0.912 347 N HN 0.204 8.505 8.380 0.110 0.145 0.545 348 N N -3.073 115.660 118.700 0.056 0.000 3.452 348 N HA -0.013 nan 4.740 nan 0.000 0.231 348 N C -2.743 172.809 175.510 0.070 0.000 1.264 348 N CA -0.396 52.690 53.050 0.060 0.000 0.928 348 N CB 2.371 40.889 38.487 0.052 0.000 1.547 348 N HN 0.196 8.533 8.380 0.060 0.079 0.509 349 G N -1.848 107.002 108.800 0.084 0.000 2.428 349 G HA2 0.231 nan 3.960 nan 0.000 0.305 349 G HA3 0.231 nan 3.960 nan 0.000 0.305 349 G C -3.433 171.531 174.900 0.106 0.000 1.260 349 G CA 0.038 45.189 45.100 0.085 0.000 0.853 349 G HN -0.221 8.125 8.290 0.093 0.000 0.480 350 V N -1.027 118.933 119.914 0.077 0.000 3.147 350 V HA 0.327 nan 4.120 nan 0.000 0.306 350 V C -2.527 173.486 176.094 -0.135 0.000 1.209 350 V CA -2.257 60.084 62.300 0.069 0.000 1.023 350 V CB 3.695 35.623 31.823 0.174 0.000 1.059 350 V HN 0.012 8.410 8.190 0.049 -0.179 0.435 351 K N 4.393 124.464 120.400 -0.549 0.000 2.350 351 K HA 0.028 nan 4.320 nan 0.000 0.279 351 K C -1.155 175.353 176.600 -0.153 0.000 1.027 351 K CA 1.105 57.087 56.287 -0.509 0.000 0.969 351 K CB 1.067 32.957 32.500 -1.016 0.000 0.954 351 K HN 0.389 8.079 8.250 -0.934 0.000 0.474 352 G N 1.425 110.204 108.800 -0.035 0.000 2.782 352 G HA2 0.273 nan 3.960 nan 0.000 0.304 352 G HA3 0.273 nan 3.960 nan 0.000 0.304 352 G C -3.014 171.980 174.900 0.157 0.000 1.315 352 G CA -1.240 43.914 45.100 0.091 0.000 0.791 352 G HN -0.098 8.160 8.290 -0.053 0.000 0.519 353 F N -6.578 113.336 119.950 -0.060 0.000 2.779 353 F HA 0.505 nan 4.527 nan 0.000 0.316 353 F C -2.842 172.908 175.800 -0.083 0.000 1.164 353 F CA -2.137 55.812 58.000 -0.086 0.000 0.924 353 F CB 3.000 41.927 39.000 -0.121 0.000 1.348 353 F HN -0.071 8.138 8.300 -0.151 0.000 0.467 354 S N -2.538 112.922 115.700 -0.399 0.000 2.588 354 S HA 0.368 nan 4.470 nan 0.000 0.269 354 S C -2.073 172.426 174.600 -0.168 0.000 1.157 354 S CA -0.873 57.082 58.200 -0.408 0.000 0.824 354 S CB 2.890 65.968 63.200 -0.203 0.000 1.126 354 S HN -0.307 7.962 8.310 -0.068 0.000 0.464 355 Y N -0.444 119.916 120.300 0.099 0.000 2.328 355 Y HA 0.160 nan 4.550 nan 0.000 0.333 355 Y C -1.390 174.609 175.900 0.166 0.000 0.958 355 Y CA -0.792 57.352 58.100 0.073 0.000 1.167 355 Y CB 2.526 41.002 38.460 0.027 0.000 1.151 355 Y HN 0.448 8.848 8.280 0.201 0.000 0.470 356 L N 5.290 126.721 121.223 0.348 0.000 2.297 356 L HA 0.262 nan 4.340 nan 0.000 0.277 356 L C -1.553 175.471 176.870 0.257 0.000 1.040 356 L CA -0.509 54.484 54.840 0.255 0.000 0.867 356 L CB 0.024 42.205 42.059 0.203 0.000 1.244 356 L HN -0.186 8.342 8.230 0.497 0.000 0.433 357 D N 3.625 124.150 120.400 0.209 0.000 2.846 357 D HA 0.167 nan 4.640 nan 0.000 0.279 357 D C -0.136 176.239 176.300 0.125 0.000 1.222 357 D CA -0.988 53.121 54.000 0.182 0.000 0.769 357 D CB 0.859 41.780 40.800 0.202 0.000 1.299 357 D HN 0.278 8.762 8.370 0.190 0.000 0.537 358 G N 1.336 110.194 108.800 0.097 0.000 2.622 358 G HA2 -0.443 nan 3.960 nan 0.000 0.307 358 G HA3 -0.443 nan 3.960 nan 0.000 0.307 358 G C 0.707 175.639 174.900 0.054 0.000 1.226 358 G CA 1.596 46.735 45.100 0.066 0.000 0.997 358 G HN -0.072 8.278 8.290 0.101 0.000 0.551 359 V N -1.844 118.097 119.914 0.044 0.000 2.970 359 V HA -0.044 nan 4.120 nan 0.000 0.260 359 V C 0.841 176.962 176.094 0.045 0.000 1.100 359 V CA 1.464 63.781 62.300 0.027 0.000 1.122 359 V CB -0.436 31.401 31.823 0.024 0.000 0.721 359 V HN 0.218 8.436 8.190 0.046 0.000 0.483 360 N N 0.776 119.532 118.700 0.093 0.000 3.091 360 N HA 0.059 nan 4.740 nan 0.000 0.301 360 N C -1.422 174.238 175.510 0.250 0.000 1.325 360 N CA -0.501 52.650 53.050 0.167 0.000 1.143 360 N CB -0.704 37.865 38.487 0.137 0.000 1.450 360 N HN -0.126 8.150 8.380 0.090 0.157 0.542 361 T N 3.276 117.927 114.554 0.162 0.000 2.779 361 T HA 0.353 nan 4.350 nan 0.000 0.280 361 T C -2.120 172.642 174.700 0.103 0.000 0.987 361 T CA -0.004 62.205 62.100 0.181 0.000 0.966 361 T CB 1.603 70.516 68.868 0.075 0.000 0.933 361 T HN -0.463 7.730 8.240 0.039 0.070 0.442 362 W N 4.997 126.382 121.300 0.142 0.000 2.683 362 W HA 0.659 nan 4.660 nan 0.000 0.329 362 W C -1.704 174.793 176.519 -0.037 0.000 1.037 362 W CA -1.248 56.174 57.345 0.129 0.000 1.232 362 W CB 2.955 32.629 29.460 0.356 0.000 1.390 362 W HN 0.745 9.227 8.180 0.502 0.000 0.465 363 L N 1.468 122.716 121.223 0.042 0.000 2.334 363 L HA 0.852 nan 4.340 nan 0.000 0.276 363 L C -0.907 175.778 176.870 -0.310 0.000 1.014 363 L CA -1.671 53.047 54.840 -0.202 0.000 0.815 363 L CB 1.972 43.925 42.059 -0.176 0.000 1.268 363 L HN 0.740 8.994 8.230 0.041 0.000 0.428 364 G N -0.242 108.215 108.800 -0.571 0.000 2.417 364 G HA2 0.813 nan 3.960 nan 0.000 0.334 364 G HA3 0.813 nan 3.960 nan 0.000 0.334 364 G C -2.522 172.064 174.900 -0.524 0.000 1.150 364 G CA -0.965 43.806 45.100 -0.548 0.000 0.923 364 G HN -0.255 7.618 8.290 -0.696 0.000 0.485 365 R N -1.494 118.502 120.500 -0.841 0.000 2.690 365 R HA 0.365 nan 4.340 nan 0.000 0.269 365 R C -1.109 174.801 176.300 -0.649 0.000 1.037 365 R CA -1.568 54.201 56.100 -0.551 0.000 0.877 365 R CB 2.397 32.523 30.300 -0.290 0.000 1.255 365 R HN 0.365 7.945 8.270 -1.149 0.000 0.467 366 T N -2.960 111.472 114.554 -0.202 0.000 2.940 366 T HA 0.096 nan 4.350 nan 0.000 0.309 366 T C 1.251 175.899 174.700 -0.086 0.000 1.056 366 T CA -0.217 61.859 62.100 -0.040 0.000 1.137 366 T CB 0.104 69.029 68.868 0.095 0.000 0.976 366 T HN 0.391 8.582 8.240 -0.081 0.000 0.547 367 I N 4.067 124.608 120.570 -0.049 0.000 2.233 367 I HA -0.302 nan 4.170 nan 0.000 0.243 367 I C 0.365 176.468 176.117 -0.025 0.000 1.093 367 I CA 2.790 64.062 61.300 -0.046 0.000 1.380 367 I CB 0.396 38.380 38.000 -0.025 0.000 1.067 367 I HN -0.049 8.047 8.210 -0.006 0.111 0.413 368 S N -0.383 115.316 115.700 -0.001 0.000 2.560 368 S HA -0.130 nan 4.470 nan 0.000 0.284 368 S C 1.417 176.027 174.600 0.017 0.000 1.327 368 S CA 0.100 58.306 58.200 0.011 0.000 1.055 368 S CB 0.997 64.216 63.200 0.033 0.000 0.868 368 S HN -0.656 7.661 8.310 0.011 0.000 0.506 369 I N 2.096 122.674 120.570 0.014 0.000 3.427 369 I HA 0.229 nan 4.170 nan 0.000 0.288 369 I C -0.240 175.898 176.117 0.036 0.000 1.249 369 I CA 1.587 62.898 61.300 0.018 0.000 1.421 369 I CB 0.297 38.301 38.000 0.007 0.000 1.086 369 I HN 0.335 8.551 8.210 0.009 0.000 0.448 370 A N -0.255 122.591 122.820 0.045 0.000 1.956 370 A HA 0.120 nan 4.320 nan 0.000 0.212 370 A C -0.044 177.590 177.584 0.083 0.000 1.188 370 A CA 1.032 53.102 52.037 0.056 0.000 0.675 370 A CB 0.404 19.435 19.000 0.051 0.000 0.845 370 A HN -0.379 7.753 8.150 0.040 0.042 0.455 371 S N -3.421 112.344 115.700 0.109 0.000 2.599 371 S HA 0.226 nan 4.470 nan 0.000 0.287 371 S C -1.330 173.388 174.600 0.196 0.000 1.105 371 S CA -1.922 56.384 58.200 0.177 0.000 0.899 371 S CB 1.346 64.692 63.200 0.244 0.000 1.100 371 S HN -0.604 7.761 8.310 0.092 0.000 0.482 372 R N 2.761 123.415 120.500 0.256 0.000 3.688 372 R HA -0.043 nan 4.340 nan 0.000 0.194 372 R C -1.251 175.261 176.300 0.354 0.000 1.677 372 R CA -0.009 56.255 56.100 0.274 0.000 1.351 372 R CB -0.793 29.661 30.300 0.257 0.000 1.338 372 R HN 0.521 8.949 8.270 0.263 0.000 0.731 373 S N 1.097 116.933 115.700 0.226 0.000 2.500 373 S HA 0.617 nan 4.470 nan 0.000 0.301 373 S C -0.784 173.867 174.600 0.085 0.000 1.092 373 S CA -0.492 57.774 58.200 0.110 0.000 1.030 373 S CB 2.843 66.001 63.200 -0.071 0.000 1.031 373 S HN -0.141 8.238 8.310 0.173 0.035 0.483 374 G N 5.187 114.039 108.800 0.087 0.000 2.846 374 G HA2 -0.366 nan 3.960 nan 0.000 0.660 374 G HA3 -0.366 nan 3.960 nan 0.000 0.660 374 G C -3.396 171.633 174.900 0.216 0.000 1.464 374 G CA -0.001 45.161 45.100 0.105 0.000 0.891 374 G HN 0.705 9.039 8.290 0.074 0.000 0.552 375 Y N 0.239 120.586 120.300 0.078 0.000 2.552 375 Y HA 0.567 nan 4.550 nan 0.000 0.337 375 Y C -2.782 173.163 175.900 0.075 0.000 1.094 375 Y CA -0.952 57.197 58.100 0.082 0.000 1.028 375 Y CB 4.288 42.825 38.460 0.128 0.000 1.321 375 Y HN 0.373 8.682 8.280 0.210 0.097 0.456 376 E N 1.284 121.209 120.200 -0.457 0.000 2.412 376 E HA 0.727 nan 4.350 nan 0.000 0.279 376 E C -2.309 174.127 176.600 -0.274 0.000 0.984 376 E CA -1.735 54.566 56.400 -0.163 0.000 0.788 376 E CB 4.239 33.883 29.700 -0.093 0.000 1.277 376 E HN 0.673 8.302 8.360 -1.219 0.000 0.455 377 M N -0.852 118.736 119.600 -0.019 0.000 2.508 377 M HA 0.840 nan 4.480 nan 0.000 0.327 377 M C -1.253 175.188 176.300 0.236 0.000 1.160 377 M CA -1.909 53.436 55.300 0.076 0.000 0.980 377 M CB 2.952 35.635 32.600 0.137 0.000 1.693 377 M HN 0.903 9.148 8.290 0.105 0.108 0.452 378 L N -0.037 121.277 121.223 0.152 0.000 2.431 378 L HA 0.584 nan 4.340 nan 0.000 0.266 378 L C -2.031 174.583 176.870 -0.427 0.000 0.978 378 L CA -0.817 53.962 54.840 -0.100 0.000 0.822 378 L CB 3.889 45.873 42.059 -0.126 0.000 1.310 378 L HN 0.871 9.213 8.230 0.187 0.000 0.409 379 K N 4.183 124.087 120.400 -0.826 0.000 2.263 379 K HA 0.378 nan 4.320 nan 0.000 0.282 379 K C -1.877 174.432 176.600 -0.485 0.000 1.089 379 K CA -0.351 55.290 56.287 -1.077 0.000 0.907 379 K CB 0.899 32.642 32.500 -1.262 0.000 1.148 379 K HN 0.839 8.655 8.250 -0.581 0.086 0.470 380 V N 8.160 127.872 119.914 -0.338 0.000 2.327 380 V HA 0.307 nan 4.120 nan 0.000 0.272 380 V C -2.496 173.517 176.094 -0.135 0.000 1.019 380 V CA -3.699 58.486 62.300 -0.191 0.000 0.814 380 V CB 0.403 32.141 31.823 -0.142 0.000 1.040 380 V HN 0.190 8.169 8.190 -0.351 0.000 0.440 381 P HA -0.058 nan 4.420 nan 0.000 0.265 381 P C -0.735 176.545 177.300 -0.034 0.000 1.193 381 P CA 0.022 63.085 63.100 -0.061 0.000 0.765 381 P CB 0.219 31.890 31.700 -0.049 0.000 0.823 382 N N 0.986 119.682 118.700 -0.007 0.000 2.727 382 N HA -0.510 nan 4.740 nan 0.000 0.249 382 N C 0.752 176.260 175.510 -0.003 0.000 1.048 382 N CA 1.402 54.455 53.050 0.005 0.000 0.714 382 N CB -1.474 37.015 38.487 0.003 0.000 0.959 382 N HN 0.191 8.478 8.380 0.005 0.096 0.544 383 A N -1.082 121.733 122.820 -0.009 0.000 1.940 383 A HA -0.332 nan 4.320 nan 0.000 0.219 383 A C 1.227 178.812 177.584 0.002 0.000 1.176 383 A CA 3.462 55.489 52.037 -0.017 0.000 0.631 383 A CB -0.384 18.599 19.000 -0.028 0.000 0.814 383 A HN -0.449 7.674 8.150 -0.009 0.022 0.446 384 L N -5.267 115.969 121.223 0.022 0.000 2.093 384 L HA -0.224 nan 4.340 nan 0.000 0.208 384 L C 1.808 178.697 176.870 0.031 0.000 1.085 384 L CA 2.437 57.297 54.840 0.034 0.000 0.755 384 L CB -0.190 41.897 42.059 0.046 0.000 0.904 384 L HN 0.060 8.285 8.230 0.028 0.021 0.435 385 T N -6.623 107.945 114.554 0.023 0.000 2.978 385 T HA 0.044 nan 4.350 nan 0.000 0.248 385 T C 0.323 175.030 174.700 0.012 0.000 1.018 385 T CA 0.231 62.344 62.100 0.021 0.000 1.026 385 T CB 1.114 69.995 68.868 0.021 0.000 1.032 385 T HN -0.478 7.743 8.240 0.019 0.031 0.485 386 D N 3.630 124.032 120.400 0.003 0.000 2.396 386 D HA 0.144 nan 4.640 nan 0.000 0.225 386 D C -0.768 175.523 176.300 -0.013 0.000 1.121 386 D CA -1.267 52.730 54.000 -0.006 0.000 0.853 386 D CB 1.170 41.963 40.800 -0.011 0.000 1.043 386 D HN -0.165 8.207 8.370 0.003 0.000 0.500 387 D N 4.113 124.506 120.400 -0.011 0.000 2.336 387 D HA -0.125 nan 4.640 nan 0.000 0.229 387 D C 0.363 176.644 176.300 -0.031 0.000 1.061 387 D CA 0.981 54.970 54.000 -0.018 0.000 0.875 387 D CB -0.122 40.673 40.800 -0.007 0.000 0.904 387 D HN 0.269 8.635 8.370 -0.006 0.000 0.525 388 K N -1.801 118.580 120.400 -0.032 0.000 2.438 388 K HA 0.152 nan 4.320 nan 0.000 0.206 388 K C -0.302 176.270 176.600 -0.047 0.000 1.081 388 K CA -0.832 55.432 56.287 -0.039 0.000 1.053 388 K CB 1.717 34.200 32.500 -0.028 0.000 0.908 388 K HN -0.376 8.028 8.250 -0.028 -0.171 0.556 389 S N 1.091 116.762 115.700 -0.048 0.000 2.549 389 S HA -0.159 nan 4.470 nan 0.000 0.286 389 S C -1.493 173.065 174.600 -0.069 0.000 1.314 389 S CA 1.626 59.794 58.200 -0.054 0.000 1.062 389 S CB 0.655 63.824 63.200 -0.051 0.000 0.865 389 S HN -0.625 7.659 8.310 -0.045 0.000 0.498 390 K N 2.121 122.478 120.400 -0.072 0.000 2.482 390 K HA 0.420 nan 4.320 nan 0.000 0.257 390 K C -2.862 173.684 176.600 -0.090 0.000 0.969 390 K CA -2.962 53.278 56.287 -0.080 0.000 0.842 390 K CB 1.847 34.307 32.500 -0.066 0.000 1.359 390 K HN 0.097 8.308 8.250 -0.066 0.000 0.441 391 P HA 0.260 nan 4.420 nan 0.000 0.271 391 P C -0.863 176.373 177.300 -0.108 0.000 1.216 391 P CA 0.060 63.085 63.100 -0.124 0.000 0.776 391 P CB 0.660 32.291 31.700 -0.115 0.000 0.881 392 T N -2.093 112.378 114.554 -0.138 0.000 2.985 392 T HA 0.135 nan 4.350 nan 0.000 0.254 392 T C -0.173 174.476 174.700 -0.084 0.000 1.021 392 T CA -0.311 61.730 62.100 -0.098 0.000 0.957 392 T CB 1.038 69.853 68.868 -0.089 0.000 1.047 392 T HN 0.685 8.707 8.240 -0.191 0.103 0.511 393 Q N -0.404 119.310 119.800 -0.143 0.000 2.702 393 Q HA 0.260 nan 4.340 nan 0.000 0.289 393 Q C -2.443 173.502 176.000 -0.091 0.000 0.923 393 Q CA 0.010 55.779 55.803 -0.057 0.000 0.787 393 Q CB 3.104 31.860 28.738 0.029 0.000 1.476 393 Q HN -0.718 7.419 8.270 -0.222 0.000 0.402 394 G N -0.205 108.680 108.800 0.143 0.000 2.646 394 G HA2 0.430 nan 3.960 nan 0.000 0.291 394 G HA3 0.430 nan 3.960 nan 0.000 0.291 394 G C -2.963 172.182 174.900 0.409 0.000 1.445 394 G CA 0.613 45.859 45.100 0.243 0.000 0.814 394 G HN -0.052 8.370 8.290 0.221 0.000 0.495 395 Q N -0.898 119.163 119.800 0.434 0.000 2.263 395 Q HA 0.237 nan 4.340 nan 0.000 0.262 395 Q C -1.653 174.520 176.000 0.288 0.000 0.984 395 Q CA -0.709 55.329 55.803 0.392 0.000 0.813 395 Q CB 3.732 32.784 28.738 0.523 0.000 1.299 395 Q HN 0.501 8.914 8.270 0.411 0.102 0.428 396 T N 8.513 123.211 114.554 0.241 0.000 2.814 396 T HA 0.217 nan 4.350 nan 0.000 0.297 396 T C -0.672 174.201 174.700 0.288 0.000 0.956 396 T CA 1.495 63.722 62.100 0.210 0.000 1.123 396 T CB 0.310 69.272 68.868 0.156 0.000 0.902 396 T HN 0.361 8.737 8.240 0.226 0.000 0.528 397 I N 5.359 126.126 120.570 0.328 0.000 2.947 397 I HA 0.272 nan 4.170 nan 0.000 0.263 397 I C -0.893 175.446 176.117 0.369 0.000 1.130 397 I CA 0.570 62.130 61.300 0.434 0.000 1.448 397 I CB 1.466 39.786 38.000 0.533 0.000 1.222 397 I HN 0.895 9.177 8.210 0.292 0.104 0.453 398 V N -2.430 117.667 119.914 0.305 0.000 2.577 398 V HA 0.351 nan 4.120 nan 0.000 0.303 398 V C -1.064 175.108 176.094 0.130 0.000 1.042 398 V CA -1.477 60.950 62.300 0.211 0.000 0.872 398 V CB 2.586 34.551 31.823 0.236 0.000 0.998 398 V HN -0.376 8.009 8.190 0.325 0.000 0.423 399 L N 4.632 125.889 121.223 0.057 0.000 2.467 399 L HA 0.002 nan 4.340 nan 0.000 0.270 399 L C 0.656 177.512 176.870 -0.023 0.000 1.205 399 L CA 0.476 55.324 54.840 0.014 0.000 0.828 399 L CB 0.486 42.534 42.059 -0.019 0.000 1.101 399 L HN 0.349 8.601 8.230 0.038 0.000 0.479 400 N N 1.220 119.897 118.700 -0.039 0.000 2.364 400 N HA -0.246 nan 4.740 nan 0.000 0.183 400 N C 0.270 175.677 175.510 -0.173 0.000 1.022 400 N CA 2.394 55.398 53.050 -0.076 0.000 0.883 400 N CB -0.164 38.286 38.487 -0.062 0.000 0.965 400 N HN 0.405 8.771 8.380 -0.024 0.000 0.438 401 T N -8.570 105.877 114.554 -0.178 0.000 3.118 401 T HA -0.066 nan 4.350 nan 0.000 0.260 401 T C 0.207 174.678 174.700 -0.381 0.000 1.139 401 T CA 0.300 62.242 62.100 -0.264 0.000 1.085 401 T CB -0.795 67.973 68.868 -0.166 0.000 0.934 401 T HN -0.479 7.646 8.240 -0.120 0.043 0.518 402 D N 2.285 122.513 120.400 -0.286 0.000 2.248 402 D HA 0.338 nan 4.640 nan 0.000 0.246 402 D C -1.447 174.753 176.300 -0.167 0.000 1.027 402 D CA -0.644 53.215 54.000 -0.235 0.000 0.853 402 D CB 3.118 43.886 40.800 -0.053 0.000 1.243 402 D HN 0.092 8.151 8.370 -0.196 0.193 0.462 403 W N 0.612 121.945 121.300 0.056 0.000 2.238 403 W HA 0.004 nan 4.660 nan 0.000 0.321 403 W C -0.427 176.147 176.519 0.092 0.000 1.293 403 W CA -0.104 57.279 57.345 0.063 0.000 1.204 403 W CB 0.753 30.237 29.460 0.041 0.000 1.167 403 W HN 0.244 8.492 8.180 0.115 0.000 0.553 404 S N 1.322 117.252 115.700 0.382 0.000 4.400 404 S HA 0.499 nan 4.470 nan 0.000 0.209 404 S C -0.716 174.041 174.600 0.261 0.000 1.056 404 S CA -1.021 57.353 58.200 0.290 0.000 1.814 404 S CB 2.595 65.984 63.200 0.315 0.000 0.808 404 S HN 0.496 9.076 8.310 0.450 0.000 0.749 405 G N -0.694 108.267 108.800 0.269 0.000 2.347 405 G HA2 -0.091 nan 3.960 nan 0.000 0.224 405 G HA3 -0.091 nan 3.960 nan 0.000 0.224 405 G C -1.804 173.318 174.900 0.369 0.000 1.318 405 G CA -0.360 44.905 45.100 0.276 0.000 1.016 405 G HN -0.279 8.191 8.290 0.300 0.000 0.469 406 Y N 2.514 122.904 120.300 0.149 0.000 2.459 406 Y HA 0.002 nan 4.550 nan 0.000 0.349 406 Y C -0.426 175.530 175.900 0.095 0.000 1.266 406 Y CA -0.719 57.476 58.100 0.158 0.000 1.483 406 Y CB 0.448 39.032 38.460 0.207 0.000 1.362 406 Y HN -0.448 8.337 8.280 0.406 -0.262 0.628 407 S N -1.530 114.234 115.700 0.107 0.000 2.565 407 S HA 0.581 nan 4.470 nan 0.000 0.269 407 S C -1.902 172.516 174.600 -0.304 0.000 1.153 407 S CA -0.968 57.072 58.200 -0.267 0.000 0.835 407 S CB 3.877 67.006 63.200 -0.118 0.000 1.122 407 S HN -0.136 8.117 8.310 0.074 0.101 0.462 408 G N -1.892 106.406 108.800 -0.836 0.000 2.601 408 G HA2 0.313 nan 3.960 nan 0.000 0.291 408 G HA3 0.313 nan 3.960 nan 0.000 0.291 408 G C -2.787 171.823 174.900 -0.482 0.000 1.456 408 G CA 0.099 44.971 45.100 -0.380 0.000 0.804 408 G HN -0.304 7.227 8.290 -1.266 0.000 0.499 409 S N -0.575 115.047 115.700 -0.131 0.000 2.608 409 S HA 0.959 nan 4.470 nan 0.000 0.291 409 S C -1.171 173.614 174.600 0.308 0.000 1.146 409 S CA -1.357 56.806 58.200 -0.061 0.000 1.043 409 S CB 1.897 65.077 63.200 -0.033 0.000 1.037 409 S HN 0.256 8.584 8.310 0.031 0.000 0.520 410 F N -3.876 116.147 119.950 0.120 0.000 2.719 410 F HA 0.740 nan 4.527 nan 0.000 0.309 410 F C -2.682 173.123 175.800 0.008 0.000 1.138 410 F CA -0.979 57.092 58.000 0.118 0.000 0.943 410 F CB 2.793 41.864 39.000 0.117 0.000 1.304 410 F HN 0.112 8.382 8.300 -0.050 0.000 0.445 411 M N -2.138 117.342 119.600 -0.201 0.000 2.484 411 M HA 0.278 nan 4.480 nan 0.000 0.289 411 M C -1.754 174.237 176.300 -0.514 0.000 1.206 411 M CA -0.513 54.432 55.300 -0.591 0.000 0.892 411 M CB 4.404 36.499 32.600 -0.841 0.000 1.712 411 M HN -0.269 8.238 8.290 0.098 -0.159 0.462 412 D N 2.644 122.835 120.400 -0.349 0.000 2.435 412 D HA 0.063 nan 4.640 nan 0.000 0.230 412 D C 0.473 176.612 176.300 -0.269 0.000 1.215 412 D CA -1.507 52.443 54.000 -0.082 0.000 0.947 412 D CB -0.517 40.327 40.800 0.072 0.000 1.048 412 D HN 0.667 8.815 8.370 -0.369 0.000 0.512 413 Y N 3.653 123.771 120.300 -0.304 0.000 2.651 413 Y HA -0.205 nan 4.550 nan 0.000 0.296 413 Y C 0.759 176.266 175.900 -0.654 0.000 1.150 413 Y CA 2.014 59.656 58.100 -0.763 0.000 1.348 413 Y CB -0.281 37.383 38.460 -1.326 0.000 0.983 413 Y HN -0.386 7.681 8.280 -0.355 0.000 0.555 414 W N -4.936 116.458 121.300 0.156 0.000 3.005 414 W HA 0.089 nan 4.660 nan 0.000 0.374 414 W C -0.253 176.322 176.519 0.094 0.000 1.076 414 W CA -0.878 56.543 57.345 0.127 0.000 1.794 414 W CB 0.644 30.151 29.460 0.078 0.000 1.113 414 W HN -0.605 7.951 8.180 0.367 -0.156 0.584 415 A N 0.249 123.199 122.820 0.218 0.000 2.425 415 A HA 0.046 nan 4.320 nan 0.000 0.242 415 A C -1.431 176.227 177.584 0.122 0.000 1.077 415 A CA -0.061 52.066 52.037 0.149 0.000 0.781 415 A CB 0.861 19.919 19.000 0.096 0.000 1.020 415 A HN -0.366 7.731 8.150 0.156 0.146 0.494 416 E N 0.798 121.053 120.200 0.092 0.000 2.390 416 E HA -0.073 nan 4.350 nan 0.000 0.261 416 E C 0.072 176.697 176.600 0.043 0.000 1.076 416 E CA 0.010 56.450 56.400 0.066 0.000 0.905 416 E CB 0.333 30.064 29.700 0.051 0.000 0.984 416 E HN 0.293 8.706 8.360 0.088 0.000 0.427 417 G N 0.804 109.619 108.800 0.026 0.000 2.357 417 G HA2 -0.148 nan 3.960 nan 0.000 0.643 417 G HA3 -0.148 nan 3.960 nan 0.000 0.643 417 G C -1.618 173.269 174.900 -0.021 0.000 1.358 417 G CA -0.761 44.339 45.100 -0.000 0.000 0.986 417 G HN -0.128 8.181 8.290 0.031 0.000 0.620 418 E N -1.870 118.303 120.200 -0.045 0.000 2.447 418 E HA 0.101 nan 4.350 nan 0.000 0.195 418 E C -0.659 175.861 176.600 -0.133 0.000 1.028 418 E CA 0.482 56.838 56.400 -0.072 0.000 0.876 418 E CB 0.500 30.166 29.700 -0.057 0.000 0.885 418 E HN 0.210 8.546 8.360 -0.041 0.000 0.500 419 c N -4.946 113.574 118.600 -0.133 0.000 3.080 419 c HA 0.575 nan 4.570 nan 0.000 0.307 419 c C -1.076 172.943 174.090 -0.120 0.000 1.311 419 c CA -3.113 53.101 56.329 -0.192 0.000 1.533 419 c CB 2.463 44.901 42.510 -0.120 0.000 1.970 419 c HN -0.652 7.486 8.230 -0.086 0.040 0.467 420 Y N -0.172 120.091 120.300 -0.062 0.000 2.359 420 Y HA -0.019 nan 4.550 nan 0.000 0.334 420 Y C -0.582 175.204 175.900 -0.189 0.000 1.058 420 Y CA -1.194 56.833 58.100 -0.122 0.000 1.244 420 Y CB 0.845 39.259 38.460 -0.077 0.000 1.187 420 Y HN 0.836 8.863 8.280 -0.246 0.106 0.510 421 R N 5.637 126.099 120.500 -0.063 0.000 2.221 421 R HA 0.234 nan 4.340 nan 0.000 0.327 421 R C -1.285 174.817 176.300 -0.330 0.000 1.033 421 R CA -1.149 54.834 56.100 -0.195 0.000 0.887 421 R CB 0.740 30.950 30.300 -0.150 0.000 1.057 421 R HN 0.396 8.648 8.270 -0.030 0.000 0.455 422 A N 7.303 129.852 122.820 -0.453 0.000 2.409 422 A HA 0.214 nan 4.320 nan 0.000 0.262 422 A C -1.592 175.726 177.584 -0.444 0.000 1.113 422 A CA -0.251 51.385 52.037 -0.668 0.000 0.790 422 A CB 1.439 19.722 19.000 -1.194 0.000 1.046 422 A HN 0.051 7.925 8.150 -0.460 0.000 0.496 423 c N 0.541 118.832 118.600 -0.515 0.000 2.913 423 c HA 1.067 nan 4.570 nan 0.000 0.322 423 c C -1.683 172.162 174.090 -0.409 0.000 1.292 423 c CA -1.793 54.158 56.329 -0.630 0.000 1.649 423 c CB 3.433 45.003 42.510 -1.567 0.000 2.139 423 c HN 0.058 7.992 8.230 -0.493 0.000 0.475 424 F N -3.013 116.666 119.950 -0.451 0.000 2.745 424 F HA 0.988 nan 4.527 nan 0.000 0.316 424 F C -3.466 172.272 175.800 -0.103 0.000 1.155 424 F CA -1.828 55.892 58.000 -0.466 0.000 0.937 424 F CB 2.740 41.083 39.000 -1.094 0.000 1.361 424 F HN 1.020 8.944 8.300 -0.626 0.000 0.472 425 Y N -5.379 114.898 120.300 -0.038 0.000 2.553 425 Y HA 0.775 nan 4.550 nan 0.000 0.347 425 Y C -2.610 173.292 175.900 0.003 0.000 1.019 425 Y CA -2.683 55.361 58.100 -0.094 0.000 1.032 425 Y CB 2.500 40.927 38.460 -0.055 0.000 1.284 425 Y HN 0.019 7.925 8.280 -0.622 0.000 0.466 426 V N -0.283 119.602 119.914 -0.048 0.000 2.540 426 V HA 0.412 nan 4.120 nan 0.000 0.302 426 V C -1.591 174.592 176.094 0.149 0.000 1.035 426 V CA -1.992 60.264 62.300 -0.073 0.000 0.873 426 V CB 1.733 33.425 31.823 -0.219 0.000 0.992 426 V HN 0.703 8.900 8.190 0.013 0.000 0.428 427 E N 5.786 126.116 120.200 0.217 0.000 2.259 427 E HA 0.330 nan 4.350 nan 0.000 0.281 427 E C -0.949 175.739 176.600 0.146 0.000 1.037 427 E CA -0.972 55.544 56.400 0.193 0.000 0.854 427 E CB 1.555 31.394 29.700 0.232 0.000 1.051 427 E HN 0.369 8.848 8.360 0.198 0.000 0.409 428 L N 8.252 129.549 121.223 0.123 0.000 2.321 428 L HA 0.288 nan 4.340 nan 0.000 0.272 428 L C -0.813 176.133 176.870 0.128 0.000 1.050 428 L CA -1.549 53.380 54.840 0.147 0.000 0.893 428 L CB -0.872 41.274 42.059 0.145 0.000 1.272 428 L HN 0.523 8.813 8.230 0.100 0.000 0.435 429 I N 5.796 126.436 120.570 0.116 0.000 2.588 429 I HA -0.005 nan 4.170 nan 0.000 0.283 429 I C -0.494 175.637 176.117 0.023 0.000 1.119 429 I CA 1.072 62.400 61.300 0.046 0.000 1.419 429 I CB 0.396 38.385 38.000 -0.019 0.000 1.394 429 I HN 0.483 8.781 8.210 0.148 0.000 0.562 430 R N 4.624 125.140 120.500 0.027 0.000 2.807 430 R HA 0.695 nan 4.340 nan 0.000 0.276 430 R C -0.687 175.574 176.300 -0.066 0.000 0.979 430 R CA -2.930 53.175 56.100 0.008 0.000 0.928 430 R CB 2.743 33.155 30.300 0.186 0.000 1.191 430 R HN 0.583 8.788 8.270 0.057 0.099 0.471 431 G N 2.263 110.845 108.800 -0.363 0.000 2.488 431 G HA2 -0.461 nan 3.960 nan 0.000 0.237 431 G HA3 -0.461 nan 3.960 nan 0.000 0.237 431 G C -1.515 173.116 174.900 -0.449 0.000 1.209 431 G CA -0.365 44.370 45.100 -0.607 0.000 0.929 431 G HN 0.167 8.527 8.290 -0.367 -0.289 0.578 432 R N 1.687 121.968 120.500 -0.364 0.000 2.438 432 R HA 0.250 nan 4.340 nan 0.000 0.287 432 R C -0.991 175.166 176.300 -0.237 0.000 1.077 432 R CA -1.584 54.333 56.100 -0.304 0.000 1.034 432 R CB 0.257 30.407 30.300 -0.250 0.000 0.993 432 R HN -0.100 7.876 8.270 -0.307 0.110 0.459 433 P HA 0.179 nan 4.420 nan 0.000 0.223 433 P C -0.088 177.025 177.300 -0.312 0.000 1.148 433 P CA 1.633 64.581 63.100 -0.254 0.000 0.870 433 P CB 0.120 31.709 31.700 -0.185 0.000 0.859 434 K N -1.901 118.248 120.400 -0.420 0.000 2.211 434 K HA -0.189 nan 4.320 nan 0.000 0.204 434 K C 0.985 177.350 176.600 -0.391 0.000 1.047 434 K CA 1.853 57.849 56.287 -0.484 0.000 0.935 434 K CB -0.145 31.727 32.500 -1.047 0.000 0.728 434 K HN 0.253 8.224 8.250 -0.464 0.000 0.452 435 E N -0.522 119.417 120.200 -0.434 0.000 2.267 435 E HA 0.188 nan 4.350 nan 0.000 0.241 435 E C -1.020 175.341 176.600 -0.398 0.000 0.950 435 E CA -0.867 55.321 56.400 -0.352 0.000 0.776 435 E CB -0.065 29.416 29.700 -0.365 0.000 1.207 435 E HN -0.312 7.648 8.360 -0.490 0.106 0.436 436 D N 4.620 124.817 120.400 -0.338 0.000 2.219 436 D HA -0.222 nan 4.640 nan 0.000 0.205 436 D C 1.244 177.253 176.300 -0.485 0.000 0.970 436 D CA 3.084 56.842 54.000 -0.404 0.000 0.851 436 D CB 0.095 40.714 40.800 -0.301 0.000 0.943 436 D HN 0.302 8.512 8.370 -0.267 0.000 0.488 437 K N -4.033 116.152 120.400 -0.358 0.000 2.442 437 K HA -0.175 nan 4.320 nan 0.000 0.198 437 K C -0.072 176.330 176.600 -0.329 0.000 1.042 437 K CA 0.813 56.933 56.287 -0.278 0.000 0.958 437 K CB -0.207 32.207 32.500 -0.143 0.000 0.766 437 K HN -0.014 8.017 8.250 -0.299 0.040 0.474 438 V N -7.495 112.102 119.914 -0.528 0.000 2.994 438 V HA 0.335 nan 4.120 nan 0.000 0.318 438 V C -1.397 174.268 176.094 -0.715 0.000 1.085 438 V CA -3.239 58.708 62.300 -0.587 0.000 0.998 438 V CB 2.060 33.207 31.823 -1.126 0.000 1.063 438 V HN -1.000 6.738 8.190 -0.601 0.091 0.447 439 W N -1.457 119.638 121.300 -0.342 0.000 3.005 439 W HA 0.326 nan 4.660 nan 0.000 0.374 439 W C -1.008 175.500 176.519 -0.017 0.000 1.076 439 W CA 0.046 57.314 57.345 -0.129 0.000 1.794 439 W CB 0.883 30.335 29.460 -0.014 0.000 1.113 439 W HN 0.253 8.395 8.180 -0.064 0.000 0.584 440 W N -5.256 116.085 121.300 0.069 0.000 2.869 440 W HA 0.778 nan 4.660 nan 0.000 0.345 440 W C -2.105 174.375 176.519 -0.065 0.000 1.191 440 W CA -2.275 55.078 57.345 0.013 0.000 1.104 440 W CB 1.956 31.407 29.460 -0.015 0.000 1.471 440 W HN -0.900 6.843 8.180 -0.621 0.065 0.612 441 T N 1.728 116.546 114.554 0.440 0.000 3.031 441 T HA 0.545 nan 4.350 nan 0.000 0.305 441 T C -1.645 173.202 174.700 0.246 0.000 0.985 441 T CA 0.140 62.405 62.100 0.275 0.000 1.008 441 T CB 1.573 70.486 68.868 0.075 0.000 1.005 441 T HN -0.277 8.198 8.240 0.391 0.000 0.444 442 S N 4.771 120.633 115.700 0.270 0.000 2.971 442 S HA 0.672 nan 4.470 nan 0.000 0.320 442 S C -2.211 172.419 174.600 0.050 0.000 1.111 442 S CA -2.389 55.841 58.200 0.050 0.000 0.870 442 S CB 1.689 64.787 63.200 -0.171 0.000 1.331 442 S HN 0.727 9.284 8.310 0.412 0.000 0.635 443 N N -2.743 115.956 118.700 -0.001 0.000 3.185 443 N HA 0.345 nan 4.740 nan 0.000 0.238 443 N C -2.276 173.241 175.510 0.011 0.000 1.451 443 N CA -0.074 52.991 53.050 0.026 0.000 0.888 443 N CB 3.608 42.108 38.487 0.023 0.000 1.413 443 N HN 0.116 8.464 8.380 -0.054 0.000 0.511 444 S N -2.554 113.171 115.700 0.041 0.000 2.740 444 S HA 0.595 nan 4.470 nan 0.000 0.300 444 S C -1.516 173.097 174.600 0.022 0.000 1.147 444 S CA -1.512 56.710 58.200 0.037 0.000 0.871 444 S CB 3.434 66.675 63.200 0.069 0.000 1.173 444 S HN 0.060 8.407 8.310 0.063 0.000 0.510 445 I N -1.647 118.910 120.570 -0.021 0.000 2.509 445 I HA 0.619 nan 4.170 nan 0.000 0.293 445 I C -2.037 174.069 176.117 -0.019 0.000 1.020 445 I CA -0.924 60.312 61.300 -0.108 0.000 1.088 445 I CB 3.140 40.823 38.000 -0.528 0.000 1.267 445 I HN 0.134 8.664 8.210 0.020 -0.307 0.430 446 V N 6.726 126.643 119.914 0.005 0.000 2.628 446 V HA 0.747 nan 4.120 nan 0.000 0.306 446 V C -2.469 173.587 176.094 -0.063 0.000 1.045 446 V CA -2.617 59.668 62.300 -0.025 0.000 0.905 446 V CB 3.293 35.107 31.823 -0.015 0.000 0.997 446 V HN 0.071 8.277 8.190 0.026 0.000 0.436 447 S N 6.377 122.036 115.700 -0.068 0.000 2.536 447 S HA 0.905 nan 4.470 nan 0.000 0.287 447 S C -1.791 172.671 174.600 -0.231 0.000 1.101 447 S CA -1.604 56.561 58.200 -0.058 0.000 0.950 447 S CB 2.167 65.579 63.200 0.353 0.000 1.056 447 S HN 0.606 8.872 8.310 -0.072 0.000 0.481 448 M N 4.283 123.522 119.600 -0.603 0.000 2.644 448 M HA 0.742 nan 4.480 nan 0.000 0.304 448 M C -1.639 174.383 176.300 -0.464 0.000 1.215 448 M CA -1.375 53.605 55.300 -0.534 0.000 0.871 448 M CB 4.951 37.203 32.600 -0.580 0.000 1.740 448 M HN 0.492 8.239 8.290 -0.905 0.000 0.464 449 c N -0.583 117.752 118.600 -0.442 0.000 2.971 449 c HA 0.897 nan 4.570 nan 0.000 0.310 449 c C -0.706 173.213 174.090 -0.285 0.000 1.285 449 c CA -1.838 54.278 56.329 -0.355 0.000 1.593 449 c CB 3.991 46.226 42.510 -0.458 0.000 2.076 449 c HN 0.627 8.470 8.230 -0.644 0.000 0.472 450 S N 0.166 115.609 115.700 -0.427 0.000 2.603 450 S HA 0.394 nan 4.470 nan 0.000 0.268 450 S C -1.475 172.900 174.600 -0.375 0.000 1.317 450 S CA -0.518 57.177 58.200 -0.842 0.000 1.012 450 S CB 0.619 63.179 63.200 -1.067 0.000 0.926 450 S HN 0.710 8.791 8.310 -0.382 0.000 0.539 451 S N -1.553 113.880 115.700 -0.445 0.000 2.570 451 S HA 0.456 nan 4.470 nan 0.000 0.286 451 S C 0.352 174.727 174.600 -0.376 0.000 1.099 451 S CA -3.002 55.037 58.200 -0.267 0.000 0.913 451 S CB 1.584 64.695 63.200 -0.147 0.000 1.085 451 S HN 0.375 8.167 8.310 -0.714 0.089 0.480 452 T N -0.939 113.446 114.554 -0.282 0.000 3.081 452 T HA 0.062 nan 4.350 nan 0.000 0.255 452 T C 0.307 174.812 174.700 -0.325 0.000 1.113 452 T CA 0.254 62.180 62.100 -0.290 0.000 1.082 452 T CB -0.130 68.631 68.868 -0.178 0.000 0.939 452 T HN 0.335 8.448 8.240 -0.213 0.000 0.506 453 E N 1.818 121.869 120.200 -0.248 0.000 2.416 453 E HA 0.017 nan 4.350 nan 0.000 0.254 453 E C -1.277 175.129 176.600 -0.323 0.000 1.241 453 E CA -1.034 55.266 56.400 -0.166 0.000 0.969 453 E CB 0.982 30.645 29.700 -0.061 0.000 0.999 453 E HN -0.449 7.752 8.360 -0.205 0.036 0.481 454 F N -1.199 118.756 119.950 0.008 0.000 2.319 454 F HA 0.238 nan 4.527 nan 0.000 0.356 454 F C -0.753 175.076 175.800 0.049 0.000 1.100 454 F CA -0.803 57.218 58.000 0.036 0.000 1.220 454 F CB -0.422 38.606 39.000 0.047 0.000 1.506 454 F HN 0.105 8.552 8.300 0.246 0.000 0.512 455 L N 3.426 124.744 121.223 0.158 0.000 2.371 455 L HA 0.152 nan 4.340 nan 0.000 0.272 455 L C 1.000 177.978 176.870 0.181 0.000 1.124 455 L CA -0.531 54.397 54.840 0.147 0.000 0.816 455 L CB 0.254 42.394 42.059 0.134 0.000 1.129 455 L HN -0.324 7.960 8.230 0.090 0.000 0.448 456 G N 0.332 109.219 108.800 0.145 0.000 2.664 456 G HA2 -0.083 nan 3.960 nan 0.000 0.242 456 G HA3 -0.083 nan 3.960 nan 0.000 0.242 456 G C -1.541 173.471 174.900 0.187 0.000 1.225 456 G CA -0.547 44.635 45.100 0.136 0.000 0.849 456 G HN -0.059 8.300 8.290 0.116 0.000 0.581 457 Q N -1.294 118.624 119.800 0.196 0.000 2.342 457 Q HA 0.358 nan 4.340 nan 0.000 0.267 457 Q C -1.666 174.504 176.000 0.284 0.000 1.038 457 Q CA -1.033 54.940 55.803 0.283 0.000 0.832 457 Q CB 1.940 30.854 28.738 0.293 0.000 1.323 457 Q HN -0.026 8.335 8.270 0.151 0.000 0.448 458 W N 2.922 124.285 121.300 0.105 0.000 2.850 458 W HA 0.199 nan 4.660 nan 0.000 0.349 458 W C -1.800 174.597 176.519 -0.203 0.000 1.133 458 W CA -1.573 55.684 57.345 -0.147 0.000 1.117 458 W CB 2.232 31.436 29.460 -0.426 0.000 1.442 458 W HN 0.181 8.680 8.180 0.532 0.000 0.575 459 D N -0.702 119.529 120.400 -0.282 0.000 2.252 459 D HA 0.185 nan 4.640 nan 0.000 0.245 459 D C -1.551 174.342 176.300 -0.679 0.000 1.009 459 D CA -0.886 52.942 54.000 -0.287 0.000 0.870 459 D CB 1.988 42.718 40.800 -0.117 0.000 1.251 459 D HN -0.112 7.970 8.370 -0.481 0.000 0.460 460 W N 0.519 121.773 121.300 -0.076 0.000 2.319 460 W HA 0.264 nan 4.660 nan 0.000 0.288 460 W C -2.151 174.344 176.519 -0.040 0.000 0.959 460 W CA -2.425 54.868 57.345 -0.086 0.000 1.784 460 W CB 0.922 30.394 29.460 0.021 0.000 1.848 460 W HN -0.037 8.268 8.180 0.208 0.000 0.408 461 P HA 0.093 nan 4.420 nan 0.000 0.276 461 P C 0.141 177.509 177.300 0.114 0.000 1.252 461 P CA -0.608 62.537 63.100 0.074 0.000 0.802 461 P CB 1.124 32.820 31.700 -0.008 0.000 1.035 462 D N 1.572 122.048 120.400 0.127 0.000 2.106 462 D HA -0.300 nan 4.640 nan 0.000 0.191 462 D C 1.063 177.434 176.300 0.119 0.000 0.997 462 D CA 2.424 56.505 54.000 0.134 0.000 0.834 462 D CB 0.105 40.996 40.800 0.151 0.000 0.956 462 D HN 0.390 8.840 8.370 0.134 0.000 0.448 463 G N -2.772 106.088 108.800 0.100 0.000 2.176 463 G HA2 -0.385 nan 3.960 nan 0.000 0.253 463 G HA3 -0.385 nan 3.960 nan 0.000 0.253 463 G C -0.813 174.160 174.900 0.122 0.000 0.979 463 G CA -0.044 45.107 45.100 0.086 0.000 0.641 463 G HN 0.100 8.449 8.290 0.098 0.000 0.530 464 A N -0.581 122.335 122.820 0.160 0.000 2.366 464 A HA 0.060 nan 4.320 nan 0.000 0.249 464 A C -1.089 176.598 177.584 0.172 0.000 1.084 464 A CA -0.121 52.052 52.037 0.226 0.000 0.794 464 A CB 0.732 19.913 19.000 0.302 0.000 1.034 464 A HN -0.551 7.888 8.150 0.156 -0.195 0.491 465 K N 1.248 121.746 120.400 0.163 0.000 2.473 465 K HA 0.154 nan 4.320 nan 0.000 0.246 465 K C 0.059 176.674 176.600 0.025 0.000 1.011 465 K CA -1.442 54.791 56.287 -0.090 0.000 0.984 465 K CB 0.629 32.788 32.500 -0.569 0.000 1.250 465 K HN 0.207 8.659 8.250 0.336 0.000 0.454 466 I N 6.234 126.875 120.570 0.118 0.000 2.623 466 I HA -0.439 nan 4.170 nan 0.000 0.261 466 I C 1.565 177.816 176.117 0.223 0.000 1.204 466 I CA 2.187 63.624 61.300 0.228 0.000 1.444 466 I CB -0.583 37.445 38.000 0.047 0.000 1.094 466 I HN 0.810 9.062 8.210 0.070 0.000 0.451 467 E N -0.193 120.024 120.200 0.028 0.000 2.358 467 E HA -0.115 nan 4.350 nan 0.000 0.195 467 E C 2.113 178.808 176.600 0.158 0.000 1.010 467 E CA 2.658 59.081 56.400 0.039 0.000 0.856 467 E CB -0.838 28.831 29.700 -0.050 0.000 0.795 467 E HN 0.451 8.658 8.360 -0.120 0.081 0.504 468 Y N -1.526 118.813 120.300 0.065 0.000 2.546 468 Y HA -0.109 nan 4.550 nan 0.000 0.287 468 Y C 1.007 176.764 175.900 -0.238 0.000 1.158 468 Y CA -0.322 57.713 58.100 -0.108 0.000 1.307 468 Y CB -0.818 37.517 38.460 -0.208 0.000 1.036 468 Y HN 0.026 8.316 8.280 0.098 0.048 0.532 469 F N -2.761 117.353 119.950 0.274 0.000 2.765 469 F HA 0.009 nan 4.527 nan 0.000 0.302 469 F C -0.083 175.837 175.800 0.200 0.000 1.111 469 F CA 1.337 59.496 58.000 0.266 0.000 1.359 469 F CB 0.087 39.319 39.000 0.388 0.000 1.097 469 F HN -0.553 7.842 8.300 0.429 0.162 0.577 470 L N 0.000 121.368 121.223 0.242 0.000 2.949 470 L HA 0.000 nan 4.340 nan 0.000 0.249 470 L CA 0.000 54.946 54.840 0.176 0.000 0.813 470 L CB 0.000 42.138 42.059 0.131 0.000 0.961 470 L HN 0.000 8.270 8.230 0.205 0.082 0.502