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 1hb7_1_F DATA FIRST_RESID 14 DATA SEQUENCE ALRNQQAMAA NLQARQIVLQ QSYPVIQQVE TQTFDPANRS VFDVTPANVG DATA SEQUENCE IVKGFLVKVT AAITNNHATE AVALTDFGPA NLVQRVIYYD PDNQRHTETS DATA SEQUENCE GWHLHFVNTA KQGAPFLSSM VTDSPIKYGD VMNVIDAPAT IAAGATGELT DATA SEQUENCE MYYWVPLAYS ETDLTGAVLA NVPQSKQRLK LEFANNNTAF AAVGANPLEA DATA SEQUENCE IYQGAGAADC EFEEISYTVY QSYLDQLPVG QNGYILPLID LSTLYNLENS DATA SEQUENCE AQAGLTPNVD FVVQYANLYR YLSTIAVFDN GGSFNAGTDI NYLSQRTANF DATA SEQUENCE SDTRKLDPKT WAAQTRRRIA TDFPKGVYYC DNRDKPIYTL QYGNVGFVVN DATA SEQUENCE PKTVNQNARL LMGYEYFTSR TE 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.584 177.584 0.000 0.000 1.274 14 A CA 0.000 52.038 52.037 0.001 0.000 0.836 14 A CB 0.000 19.001 19.000 0.001 0.000 0.831 15 L N 0.723 121.946 121.223 -0.000 0.000 2.718 15 L HA 0.608 4.948 4.340 -0.000 0.000 0.242 15 L C 2.168 179.037 176.870 -0.002 0.000 1.203 15 L CA 1.792 56.631 54.840 -0.001 0.000 1.011 15 L CB -2.766 39.293 42.059 -0.001 0.000 1.250 15 L HN 1.251 nan 8.230 nan 0.000 0.437 16 R N 0.639 121.138 120.500 -0.001 0.000 2.119 16 R HA -0.113 4.227 4.340 -0.000 0.000 0.222 16 R C 1.980 178.278 176.300 -0.004 0.000 1.088 16 R CA 1.596 57.695 56.100 -0.002 0.000 0.984 16 R CB -1.208 29.091 30.300 -0.000 0.000 0.884 16 R HN 1.012 nan 8.270 nan 0.000 0.447 17 N N -0.660 118.037 118.700 -0.005 0.000 2.333 17 N HA -0.120 4.620 4.740 -0.000 0.000 0.178 17 N C 1.810 177.313 175.510 -0.011 0.000 1.018 17 N CA 1.196 54.241 53.050 -0.009 0.000 0.882 17 N CB -0.252 38.229 38.487 -0.009 0.000 0.984 17 N HN 0.595 nan 8.380 nan 0.000 0.434 18 Q N -0.039 119.756 119.800 -0.009 0.000 2.124 18 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 18 Q C 1.738 177.733 176.000 -0.009 0.000 0.977 18 Q CA 1.507 57.304 55.803 -0.009 0.000 0.850 18 Q CB -0.011 28.724 28.738 -0.006 0.000 0.901 18 Q HN 0.620 nan 8.270 nan 0.000 0.429 19 Q N -0.936 118.859 119.800 -0.007 0.000 2.187 19 Q HA -0.026 4.314 4.340 -0.000 0.000 0.199 19 Q C 1.942 177.937 176.000 -0.007 0.000 0.957 19 Q CA 0.912 56.712 55.803 -0.006 0.000 0.857 19 Q CB 0.039 28.776 28.738 -0.003 0.000 0.929 19 Q HN 0.372 nan 8.270 nan 0.000 0.453 20 A N 0.833 123.647 122.820 -0.009 0.000 1.898 20 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 20 A C 2.054 179.627 177.584 -0.018 0.000 1.181 20 A CA 1.092 53.121 52.037 -0.012 0.000 0.620 20 A CB -0.297 18.696 19.000 -0.013 0.000 0.819 20 A HN 0.209 nan 8.150 nan 0.000 0.442 21 M N -0.311 119.276 119.600 -0.022 0.000 2.086 21 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 21 M C 2.531 178.817 176.300 -0.023 0.000 1.067 21 M CA 1.679 56.962 55.300 -0.029 0.000 1.116 21 M CB -1.462 31.120 32.600 -0.029 0.000 1.348 21 M HN 0.490 nan 8.290 nan 0.000 0.407 22 A N 0.082 122.892 122.820 -0.016 0.000 1.902 22 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 22 A C 2.417 179.995 177.584 -0.010 0.000 1.181 22 A CA 2.067 54.097 52.037 -0.012 0.000 0.623 22 A CB -0.887 18.108 19.000 -0.008 0.000 0.818 22 A HN 0.483 nan 8.150 nan 0.000 0.443 23 A N 0.290 123.105 122.820 -0.008 0.000 1.902 23 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 23 A C 1.963 179.543 177.584 -0.007 0.000 1.181 23 A CA 2.134 54.168 52.037 -0.004 0.000 0.623 23 A CB -0.795 18.204 19.000 -0.002 0.000 0.818 23 A HN 0.651 nan 8.150 nan 0.000 0.443 24 N N -0.286 118.406 118.700 -0.014 0.000 2.025 24 N HA -0.170 4.570 4.740 -0.000 0.000 0.194 24 N C 1.602 177.100 175.510 -0.020 0.000 1.044 24 N CA 1.764 54.802 53.050 -0.020 0.000 0.851 24 N CB -0.368 38.099 38.487 -0.034 0.000 1.036 24 N HN 0.283 nan 8.380 nan 0.000 0.422 25 L N 1.250 122.460 121.223 -0.023 0.000 2.042 25 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 25 L C 2.348 179.211 176.870 -0.011 0.000 1.076 25 L CA 1.860 56.688 54.840 -0.020 0.000 0.749 25 L CB -1.205 40.843 42.059 -0.019 0.000 0.893 25 L HN 0.433 nan 8.230 nan 0.000 0.432 26 Q N -0.939 118.857 119.800 -0.007 0.000 2.084 26 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 26 Q C 2.121 178.122 176.000 0.001 0.000 0.978 26 Q CA 1.860 57.662 55.803 -0.002 0.000 0.844 26 Q CB -0.211 28.527 28.738 0.001 0.000 0.898 26 Q HN 0.649 nan 8.270 nan 0.000 0.426 27 A N 1.333 124.154 122.820 0.002 0.000 1.902 27 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 27 A C 2.139 179.725 177.584 0.002 0.000 1.181 27 A CA 1.534 53.576 52.037 0.007 0.000 0.623 27 A CB -0.702 18.304 19.000 0.010 0.000 0.818 27 A HN 0.437 nan 8.150 nan 0.000 0.443 28 R N -0.316 120.180 120.500 -0.006 0.000 2.073 28 R HA -0.198 4.142 4.340 -0.000 0.000 0.234 28 R C 2.346 178.642 176.300 -0.007 0.000 1.134 28 R CA 1.954 58.048 56.100 -0.009 0.000 0.952 28 R CB -0.393 29.898 30.300 -0.016 0.000 0.850 28 R HN 0.709 nan 8.270 nan 0.000 0.433 29 Q N 0.083 119.879 119.800 -0.006 0.000 2.096 29 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 29 Q C 2.233 178.233 176.000 -0.001 0.000 0.982 29 Q CA 1.801 57.601 55.803 -0.004 0.000 0.850 29 Q CB -0.130 28.606 28.738 -0.003 0.000 0.901 29 Q HN 0.457 nan 8.270 nan 0.000 0.422 30 I N -0.183 120.389 120.570 0.003 0.000 2.252 30 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 30 I C 2.209 178.330 176.117 0.008 0.000 1.102 30 I CA 0.682 61.988 61.300 0.009 0.000 1.385 30 I CB -0.176 37.833 38.000 0.015 0.000 1.064 30 I HN 0.041 nan 8.210 nan 0.000 0.414 31 V N 1.194 121.109 119.914 0.002 0.000 2.287 31 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 31 V C 2.392 178.481 176.094 -0.008 0.000 1.053 31 V CA 1.795 64.091 62.300 -0.006 0.000 1.027 31 V CB -0.437 31.377 31.823 -0.015 0.000 0.646 31 V HN 0.362 nan 8.190 nan 0.000 0.447 32 L N -0.587 120.629 121.223 -0.011 0.000 2.083 32 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 32 L C 2.661 179.523 176.870 -0.013 0.000 1.083 32 L CA 1.639 56.467 54.840 -0.020 0.000 0.752 32 L CB -0.577 41.468 42.059 -0.022 0.000 0.899 32 L HN 0.415 nan 8.230 nan 0.000 0.433 33 Q N -0.894 118.906 119.800 -0.001 0.000 2.187 33 Q HA -0.135 4.205 4.340 -0.000 0.000 0.199 33 Q C 2.160 178.175 176.000 0.025 0.000 0.957 33 Q CA 0.802 56.611 55.803 0.009 0.000 0.857 33 Q CB 0.059 28.803 28.738 0.009 0.000 0.929 33 Q HN 0.507 nan 8.270 nan 0.000 0.453 34 Q N 0.458 120.273 119.800 0.025 0.000 2.204 34 Q HA 0.038 4.378 4.340 -0.000 0.000 0.198 34 Q C 1.309 177.340 176.000 0.053 0.000 0.946 34 Q CA 0.560 56.385 55.803 0.038 0.000 0.859 34 Q CB 0.205 28.962 28.738 0.032 0.000 0.946 34 Q HN 0.258 nan 8.270 nan 0.000 0.474 35 S N -0.504 115.220 115.700 0.040 0.000 2.645 35 S HA 0.342 4.812 4.470 -0.000 0.000 0.266 35 S C -0.645 174.018 174.600 0.104 0.000 1.258 35 S CA -0.653 57.580 58.200 0.056 0.000 0.990 35 S CB 0.887 64.095 63.200 0.014 0.000 0.967 35 S HN 0.196 nan 8.310 nan 0.000 0.556 36 Y N 1.848 122.131 120.300 -0.029 0.000 2.350 36 Y HA 0.519 5.069 4.550 -0.000 0.000 0.338 36 Y C -2.557 173.293 175.900 -0.083 0.000 0.961 36 Y CA -2.270 55.802 58.100 -0.046 0.000 1.100 36 Y CB 1.949 40.387 38.460 -0.037 0.000 1.179 36 Y HN 0.567 nan 8.280 nan 0.000 0.454 37 P HA 0.196 nan 4.420 nan 0.000 0.271 37 P C -1.266 175.805 177.300 -0.381 0.000 1.216 37 P CA 0.130 62.979 63.100 -0.417 0.000 0.776 37 P CB 1.948 33.398 31.700 -0.416 0.000 0.881 38 V N 4.368 124.024 119.914 -0.431 0.000 2.841 38 V HA 0.477 4.597 4.120 -0.000 0.000 0.310 38 V C -0.042 175.811 176.094 -0.401 0.000 1.090 38 V CA -0.737 61.305 62.300 -0.430 0.000 0.930 38 V CB 2.471 33.874 31.823 -0.701 0.000 1.014 38 V HN 0.534 nan 8.190 nan 0.000 0.425 39 I N 4.200 124.684 120.570 -0.144 0.000 2.478 39 I HA 0.639 4.809 4.170 -0.000 0.000 0.287 39 I C -0.840 175.378 176.117 0.168 0.000 1.042 39 I CA -0.096 61.221 61.300 0.029 0.000 1.067 39 I CB 1.587 39.607 38.000 0.033 0.000 1.233 39 I HN 0.933 nan 8.210 nan 0.000 0.431 40 Q N 5.768 125.758 119.800 0.317 0.000 2.379 40 Q HA 0.386 4.726 4.340 -0.000 0.000 0.278 40 Q C -1.370 174.856 176.000 0.376 0.000 1.068 40 Q CA -0.940 55.081 55.803 0.363 0.000 0.816 40 Q CB 1.933 30.853 28.738 0.304 0.000 1.387 40 Q HN 0.672 nan 8.270 nan 0.000 0.413 41 Q N 1.199 121.146 119.800 0.244 0.000 2.330 41 Q HA 0.105 4.445 4.340 -0.000 0.000 0.279 41 Q C -0.557 175.446 176.000 0.006 0.000 1.024 41 Q CA 0.132 55.851 55.803 -0.141 0.000 0.900 41 Q CB 1.086 29.670 28.738 -0.256 0.000 1.221 41 Q HN 0.707 nan 8.270 nan 0.000 0.396 42 V N 2.963 122.875 119.914 -0.004 0.000 2.908 42 V HA 0.191 4.311 4.120 -0.000 0.000 0.240 42 V C 0.185 176.298 176.094 0.032 0.000 1.117 42 V CA 0.961 63.300 62.300 0.064 0.000 1.133 42 V CB 0.424 32.326 31.823 0.130 0.000 0.857 42 V HN 0.926 nan 8.190 nan 0.000 0.478 43 E N -1.070 119.135 120.200 0.009 0.000 2.388 43 E HA 0.407 4.757 4.350 -0.000 0.000 0.282 43 E C -1.653 174.924 176.600 -0.037 0.000 1.026 43 E CA -0.345 56.066 56.400 0.019 0.000 0.820 43 E CB 2.221 31.986 29.700 0.110 0.000 1.226 43 E HN 0.158 nan 8.360 nan 0.000 0.432 44 T N 2.561 117.025 114.554 -0.150 0.000 2.912 44 T HA 0.495 4.845 4.350 -0.000 0.000 0.299 44 T C -1.295 173.125 174.700 -0.467 0.000 1.052 44 T CA -0.626 61.282 62.100 -0.319 0.000 0.996 44 T CB 1.747 70.492 68.868 -0.206 0.000 1.070 44 T HN 0.458 nan 8.240 nan 0.000 0.465 45 Q N 0.788 120.095 119.800 -0.822 0.000 2.353 45 Q HA 0.582 4.922 4.340 -0.000 0.000 0.275 45 Q C -1.662 174.061 176.000 -0.462 0.000 1.029 45 Q CA -0.604 54.835 55.803 -0.607 0.000 0.848 45 Q CB 2.141 30.472 28.738 -0.678 0.000 1.390 45 Q HN 0.646 nan 8.270 nan 0.000 0.401 46 T N 3.611 118.046 114.554 -0.199 0.000 2.824 46 T HA 0.772 5.122 4.350 -0.000 0.000 0.282 46 T C -1.221 173.478 174.700 -0.001 0.000 0.993 46 T CA -0.371 61.624 62.100 -0.176 0.000 0.967 46 T CB 0.359 69.133 68.868 -0.158 0.000 0.960 46 T HN 0.458 nan 8.240 nan 0.000 0.441 47 F N -0.205 119.636 119.950 -0.182 0.000 2.779 47 F HA 0.732 5.259 4.527 -0.000 0.000 0.316 47 F C -1.596 174.170 175.800 -0.057 0.000 1.164 47 F CA -1.318 56.641 58.000 -0.068 0.000 0.924 47 F CB 1.147 40.170 39.000 0.038 0.000 1.348 47 F HN 0.301 nan 8.300 nan 0.000 0.467 48 D N 2.281 122.762 120.400 0.134 0.000 2.349 48 D HA 0.366 5.006 4.640 -0.000 0.000 0.232 48 D C -1.893 174.561 176.300 0.256 0.000 1.071 48 D CA -2.615 51.420 54.000 0.059 0.000 0.832 48 D CB 2.246 43.100 40.800 0.090 0.000 1.086 48 D HN 0.324 nan 8.370 nan 0.000 0.504 49 P HA -0.078 nan 4.420 nan 0.000 0.228 49 P C 0.881 178.303 177.300 0.203 0.000 1.151 49 P CA 0.415 63.680 63.100 0.275 0.000 0.770 49 P CB 0.263 31.981 31.700 0.031 0.000 0.786 50 A N -0.093 122.834 122.820 0.179 0.000 2.066 50 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 50 A C 2.068 179.724 177.584 0.121 0.000 1.157 50 A CA 1.138 53.265 52.037 0.151 0.000 0.670 50 A CB -0.737 18.348 19.000 0.142 0.000 0.804 50 A HN 0.144 nan 8.150 nan 0.000 0.453 51 N N -1.019 117.763 118.700 0.138 0.000 2.349 51 N HA 0.081 4.821 4.740 -0.000 0.000 0.180 51 N C 0.752 176.302 175.510 0.066 0.000 1.024 51 N CA 0.654 53.766 53.050 0.102 0.000 0.869 51 N CB 0.115 38.674 38.487 0.120 0.000 1.022 51 N HN 0.517 nan 8.380 nan 0.000 0.433 52 R N -0.172 120.389 120.500 0.101 0.000 2.561 52 R HA 0.230 4.570 4.340 -0.000 0.000 0.266 52 R C -0.685 175.615 176.300 -0.001 0.000 1.091 52 R CA -0.044 56.022 56.100 -0.058 0.000 0.927 52 R CB 0.886 31.044 30.300 -0.236 0.000 1.240 52 R HN 0.098 nan 8.270 nan 0.000 0.449 53 S N 1.078 116.749 115.700 -0.048 0.000 2.733 53 S HA 0.209 4.679 4.470 -0.000 0.000 0.247 53 S C -0.232 174.457 174.600 0.148 0.000 1.043 53 S CA -0.234 58.068 58.200 0.169 0.000 1.066 53 S CB 0.827 64.151 63.200 0.207 0.000 1.045 53 S HN 0.164 nan 8.310 nan 0.000 0.586 54 V N 2.710 122.497 119.914 -0.212 0.000 2.417 54 V HA 0.643 4.763 4.120 -0.000 0.000 0.291 54 V C -1.340 174.449 176.094 -0.508 0.000 1.024 54 V CA -0.553 61.635 62.300 -0.186 0.000 0.861 54 V CB 0.965 32.688 31.823 -0.167 0.000 0.985 54 V HN 0.405 nan 8.190 nan 0.000 0.436 55 F N 2.086 121.974 119.950 -0.103 0.000 2.556 55 F HA 0.474 5.001 4.527 -0.000 0.000 0.314 55 F C -0.067 175.653 175.800 -0.132 0.000 1.106 55 F CA -0.837 57.101 58.000 -0.104 0.000 0.911 55 F CB 1.918 40.882 39.000 -0.059 0.000 1.190 55 F HN 0.385 nan 8.300 nan 0.000 0.448 56 D N 3.168 123.588 120.400 0.034 0.000 2.427 56 D HA 0.360 5.000 4.640 -0.000 0.000 0.226 56 D C -0.966 175.335 176.300 0.002 0.000 1.076 56 D CA -0.069 53.915 54.000 -0.027 0.000 0.849 56 D CB 1.428 42.189 40.800 -0.065 0.000 1.052 56 D HN 0.198 nan 8.370 nan 0.000 0.515 57 V N 3.304 123.193 119.914 -0.042 0.000 2.546 57 V HA 0.294 4.414 4.120 -0.000 0.000 0.284 57 V C 0.796 176.849 176.094 -0.067 0.000 1.050 57 V CA -0.332 61.949 62.300 -0.032 0.000 0.981 57 V CB 1.668 33.435 31.823 -0.093 0.000 0.990 57 V HN 0.504 nan 8.190 nan 0.000 0.474 58 T N 6.727 121.266 114.554 -0.025 0.000 2.929 58 T HA 0.359 4.709 4.350 -0.000 0.000 0.331 58 T C -2.369 172.335 174.700 0.006 0.000 1.120 58 T CA -0.902 61.182 62.100 -0.026 0.000 0.973 58 T CB 0.984 69.845 68.868 -0.013 0.000 1.036 58 T HN 0.481 nan 8.240 nan 0.000 0.502 59 P HA 0.308 nan 4.420 nan 0.000 0.269 59 P C -0.531 176.826 177.300 0.095 0.000 1.215 59 P CA -0.432 62.746 63.100 0.130 0.000 0.780 59 P CB 0.458 32.329 31.700 0.285 0.000 0.898 60 A N 2.304 125.175 122.820 0.085 0.000 2.388 60 A HA 0.220 4.540 4.320 -0.000 0.000 0.257 60 A C 0.146 177.711 177.584 -0.032 0.000 1.095 60 A CA -0.276 51.766 52.037 0.009 0.000 0.791 60 A CB -0.287 18.698 19.000 -0.025 0.000 1.029 60 A HN 0.465 nan 8.150 nan 0.000 0.489 61 N N 1.208 119.886 118.700 -0.037 0.000 2.602 61 N HA 0.427 5.167 4.740 -0.000 0.000 0.238 61 N C -1.245 174.206 175.510 -0.098 0.000 1.084 61 N CA 0.173 53.198 53.050 -0.041 0.000 0.952 61 N CB 0.896 39.379 38.487 -0.007 0.000 1.244 61 N HN 0.307 nan 8.380 nan 0.000 0.512 62 V N 0.314 120.109 119.914 -0.199 0.000 2.711 62 V HA 0.624 4.744 4.120 -0.000 0.000 0.304 62 V C 0.831 176.785 176.094 -0.234 0.000 1.097 62 V CA -0.658 61.485 62.300 -0.260 0.000 0.906 62 V CB 1.330 32.866 31.823 -0.479 0.000 1.015 62 V HN 0.782 nan 8.190 nan 0.000 0.427 63 G N 4.904 113.654 108.800 -0.083 0.000 2.582 63 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.300 63 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.300 63 G C -0.120 174.771 174.900 -0.015 0.000 1.300 63 G CA 0.483 45.565 45.100 -0.030 0.000 0.959 63 G HN 0.842 nan 8.290 nan 0.000 0.548 64 I N 0.656 121.240 120.570 0.023 0.000 2.325 64 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 64 I C 0.456 176.608 176.117 0.059 0.000 1.019 64 I CA -0.637 60.677 61.300 0.023 0.000 1.302 64 I CB 1.458 39.462 38.000 0.007 0.000 1.401 64 I HN 0.301 nan 8.210 nan 0.000 0.485 65 V N 7.602 127.524 119.914 0.013 0.000 2.432 65 V HA 0.171 4.291 4.120 -0.000 0.000 0.275 65 V C 0.811 176.842 176.094 -0.105 0.000 1.043 65 V CA -0.302 61.970 62.300 -0.047 0.000 0.925 65 V CB 1.226 32.983 31.823 -0.110 0.000 0.985 65 V HN 0.743 nan 8.190 nan 0.000 0.466 66 K N 2.793 123.130 120.400 -0.104 0.000 2.308 66 K HA 0.483 4.803 4.320 -0.000 0.000 0.197 66 K C 0.802 177.300 176.600 -0.170 0.000 1.049 66 K CA 0.707 56.972 56.287 -0.037 0.000 0.991 66 K CB 0.665 33.230 32.500 0.109 0.000 0.836 66 K HN 0.934 nan 8.250 nan 0.000 0.500 67 G N -0.170 108.300 108.800 -0.549 0.000 2.315 67 G HA2 0.343 4.303 3.960 -0.000 0.000 0.294 67 G HA3 0.343 4.303 3.960 -0.000 0.000 0.294 67 G C -1.952 172.069 174.900 -1.467 0.000 1.300 67 G CA -1.061 43.357 45.100 -1.136 0.000 0.843 67 G HN -0.012 nan 8.290 nan 0.000 0.527 68 F N -0.514 118.849 119.950 -0.979 0.000 2.547 68 F HA 0.673 5.200 4.527 -0.000 0.000 0.316 68 F C -0.220 175.471 175.800 -0.183 0.000 1.121 68 F CA -0.848 56.922 58.000 -0.382 0.000 0.911 68 F CB 2.354 41.228 39.000 -0.210 0.000 1.179 68 F HN 0.422 nan 8.300 nan 0.000 0.443 69 L N 4.370 125.864 121.223 0.453 0.000 2.272 69 L HA 0.720 5.060 4.340 -0.000 0.000 0.289 69 L C -1.049 176.159 176.870 0.563 0.000 1.032 69 L CA -0.516 54.716 54.840 0.653 0.000 0.810 69 L CB 1.149 43.627 42.059 0.700 0.000 1.205 69 L HN 0.409 nan 8.230 nan 0.000 0.422 70 V N 5.639 125.845 119.914 0.488 0.000 2.357 70 V HA 0.392 4.512 4.120 -0.000 0.000 0.284 70 V C 0.055 176.312 176.094 0.271 0.000 1.018 70 V CA -0.822 61.698 62.300 0.366 0.000 0.841 70 V CB 1.171 33.145 31.823 0.252 0.000 0.991 70 V HN 0.722 nan 8.190 nan 0.000 0.437 71 K N 4.286 124.756 120.400 0.118 0.000 2.201 71 K HA 0.677 4.997 4.320 -0.000 0.000 0.278 71 K C -1.327 175.240 176.600 -0.054 0.000 1.027 71 K CA -0.343 55.726 56.287 -0.363 0.000 0.909 71 K CB 1.485 33.839 32.500 -0.244 0.000 1.062 71 K HN 0.498 nan 8.250 nan 0.000 0.465 72 V N 3.663 123.529 119.914 -0.080 0.000 2.577 72 V HA 0.335 4.455 4.120 -0.000 0.000 0.303 72 V C -0.288 175.823 176.094 0.027 0.000 1.042 72 V CA -0.827 61.538 62.300 0.108 0.000 0.872 72 V CB 1.644 33.660 31.823 0.323 0.000 0.998 72 V HN 1.022 nan 8.190 nan 0.000 0.423 73 T N 1.373 115.929 114.554 0.003 0.000 2.924 73 T HA 0.977 5.327 4.350 -0.000 0.000 0.291 73 T C -0.466 174.233 174.700 -0.003 0.000 1.045 73 T CA -0.446 61.658 62.100 0.007 0.000 1.015 73 T CB 2.364 71.227 68.868 -0.010 0.000 1.103 73 T HN 1.450 nan 8.240 nan 0.000 0.496 74 A N 0.367 123.221 122.820 0.057 0.000 2.612 74 A HA 0.898 5.218 4.320 -0.000 0.000 0.293 74 A C -1.110 176.552 177.584 0.130 0.000 1.075 74 A CA -0.732 51.367 52.037 0.103 0.000 0.680 74 A CB 1.097 20.263 19.000 0.277 0.000 1.279 74 A HN 1.733 nan 8.150 nan 0.000 0.411 75 A N 0.990 123.895 122.820 0.142 0.000 2.330 75 A HA 0.798 5.118 4.320 -0.000 0.000 0.313 75 A C -0.908 176.750 177.584 0.123 0.000 1.124 75 A CA -0.293 51.802 52.037 0.097 0.000 0.774 75 A CB 0.516 19.544 19.000 0.045 0.000 1.198 75 A HN 0.797 nan 8.150 nan 0.000 0.465 76 I N 1.592 122.185 120.570 0.037 0.000 2.545 76 I HA 0.428 4.598 4.170 -0.000 0.000 0.292 76 I C -0.327 175.711 176.117 -0.131 0.000 1.040 76 I CA -0.291 60.974 61.300 -0.059 0.000 1.068 76 I CB 2.731 40.669 38.000 -0.104 0.000 1.251 76 I HN 0.578 nan 8.210 nan 0.000 0.424 77 T N 4.002 118.458 114.554 -0.165 0.000 2.807 77 T HA 0.274 4.624 4.350 -0.000 0.000 0.279 77 T C -0.396 174.150 174.700 -0.257 0.000 0.993 77 T CA -0.602 61.396 62.100 -0.171 0.000 0.970 77 T CB 1.149 69.957 68.868 -0.101 0.000 0.950 77 T HN 0.417 nan 8.240 nan 0.000 0.441 78 N N 2.759 121.319 118.700 -0.234 0.000 2.485 78 N HA 0.189 4.929 4.740 -0.000 0.000 0.243 78 N C -0.013 175.416 175.510 -0.135 0.000 0.987 78 N CA -0.519 52.389 53.050 -0.237 0.000 0.940 78 N CB 0.406 38.759 38.487 -0.224 0.000 1.122 78 N HN 0.368 nan 8.380 nan 0.000 0.509 79 N N 1.505 120.134 118.700 -0.119 0.000 2.276 79 N HA -0.039 4.701 4.740 -0.000 0.000 0.212 79 N C -0.318 175.162 175.510 -0.050 0.000 1.127 79 N CA -0.111 52.894 53.050 -0.076 0.000 0.834 79 N CB -0.189 38.251 38.487 -0.079 0.000 1.014 79 N HN 0.654 nan 8.380 nan 0.000 0.491 80 H N 0.322 119.326 119.070 -0.109 0.000 2.871 80 H HA 0.194 4.750 4.556 -0.000 0.000 0.355 80 H C 1.325 176.615 175.328 -0.063 0.000 1.092 80 H CA 0.390 56.389 56.048 -0.082 0.000 1.420 80 H CB 1.093 30.804 29.762 -0.084 0.000 1.400 80 H HN 0.132 nan 8.280 nan 0.000 0.604 81 A N 2.578 125.190 122.820 -0.346 0.000 1.969 81 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 81 A C 1.868 179.466 177.584 0.024 0.000 1.169 81 A CA 2.165 54.114 52.037 -0.146 0.000 0.635 81 A CB -0.452 18.426 19.000 -0.203 0.000 0.810 81 A HN 0.889 nan 8.150 nan 0.000 0.445 82 T N -5.199 109.497 114.554 0.237 0.000 3.074 82 T HA 0.178 4.528 4.350 -0.000 0.000 0.258 82 T C 0.158 174.939 174.700 0.134 0.000 0.891 82 T CA -0.261 61.940 62.100 0.168 0.000 0.867 82 T CB 0.119 69.056 68.868 0.116 0.000 1.261 82 T HN 0.199 nan 8.240 nan 0.000 0.537 83 E N 1.739 122.025 120.200 0.143 0.000 2.242 83 E HA 0.744 5.094 4.350 -0.000 0.000 0.275 83 E C -0.186 176.326 176.600 -0.146 0.000 1.002 83 E CA -0.422 55.889 56.400 -0.149 0.000 0.841 83 E CB 1.937 31.366 29.700 -0.453 0.000 1.109 83 E HN 0.538 nan 8.360 nan 0.000 0.394 84 A N 1.681 124.437 122.820 -0.107 0.000 2.239 84 A HA 0.684 5.004 4.320 -0.000 0.000 0.303 84 A C -0.111 177.419 177.584 -0.089 0.000 1.114 84 A CA -0.545 51.440 52.037 -0.087 0.000 0.871 84 A CB 0.741 19.713 19.000 -0.047 0.000 1.201 84 A HN 0.400 nan 8.150 nan 0.000 0.506 85 V N -4.013 115.866 119.914 -0.059 0.000 3.007 85 V HA 0.936 5.056 4.120 -0.000 0.000 0.311 85 V C -0.224 175.955 176.094 0.142 0.000 1.120 85 V CA -0.332 61.982 62.300 0.024 0.000 0.980 85 V CB 1.099 32.933 31.823 0.019 0.000 1.033 85 V HN 1.856 nan 8.190 nan 0.000 0.429 86 A N 2.767 125.724 122.820 0.228 0.000 2.413 86 A HA 0.856 5.176 4.320 -0.000 0.000 0.307 86 A C -0.549 177.159 177.584 0.207 0.000 1.087 86 A CA -0.979 51.202 52.037 0.240 0.000 0.750 86 A CB 1.457 20.516 19.000 0.099 0.000 1.296 86 A HN 1.082 nan 8.150 nan 0.000 0.423 87 L N 1.833 123.074 121.223 0.031 0.000 2.514 87 L HA 0.152 4.492 4.340 -0.000 0.000 0.280 87 L C 1.487 178.260 176.870 -0.160 0.000 1.223 87 L CA 0.102 54.761 54.840 -0.301 0.000 0.864 87 L CB 0.511 42.423 42.059 -0.244 0.000 1.118 87 L HN 0.997 nan 8.230 nan 0.000 0.494 88 T N -2.001 112.429 114.554 -0.206 0.000 2.770 88 T HA 0.091 4.441 4.350 -0.000 0.000 0.281 88 T C 0.741 175.359 174.700 -0.137 0.000 0.981 88 T CA -0.792 61.203 62.100 -0.175 0.000 0.955 88 T CB 0.793 69.522 68.868 -0.230 0.000 1.060 88 T HN 0.503 nan 8.240 nan 0.000 0.531 89 D N -0.237 120.055 120.400 -0.180 0.000 2.178 89 D HA -0.012 4.628 4.640 -0.000 0.000 0.201 89 D C 1.524 177.980 176.300 0.260 0.000 0.980 89 D CA 1.045 55.034 54.000 -0.017 0.000 0.842 89 D CB -0.222 40.523 40.800 -0.093 0.000 0.948 89 D HN 0.469 nan 8.370 nan 0.000 0.472 90 F N 0.200 120.087 119.950 -0.104 0.000 2.473 90 F HA 0.241 4.768 4.527 -0.000 0.000 0.294 90 F C 2.202 177.954 175.800 -0.079 0.000 1.103 90 F CA 0.432 58.407 58.000 -0.041 0.000 1.442 90 F CB -0.951 38.001 39.000 -0.080 0.000 1.097 90 F HN -0.020 nan 8.300 nan 0.000 0.547 91 G N 2.644 111.470 108.800 0.043 0.000 2.685 91 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.329 91 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.329 91 G C -1.108 173.765 174.900 -0.045 0.000 1.271 91 G CA 0.580 45.621 45.100 -0.098 0.000 1.003 91 G HN 0.211 nan 8.290 nan 0.000 0.549 92 P HA 0.043 nan 4.420 nan 0.000 0.225 92 P C 1.663 178.974 177.300 0.018 0.000 1.148 92 P CA 2.320 65.426 63.100 0.010 0.000 0.779 92 P CB -0.380 31.319 31.700 -0.002 0.000 0.780 93 A N 0.184 122.973 122.820 -0.052 0.000 2.121 93 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 93 A C 1.879 179.595 177.584 0.220 0.000 1.154 93 A CA 1.113 53.117 52.037 -0.055 0.000 0.679 93 A CB -1.034 17.828 19.000 -0.230 0.000 0.795 93 A HN 0.128 nan 8.150 nan 0.000 0.458 94 N N -0.362 118.466 118.700 0.213 0.000 2.314 94 N HA 0.174 4.914 4.740 -0.000 0.000 0.200 94 N C 1.103 176.754 175.510 0.235 0.000 1.135 94 N CA 0.098 53.296 53.050 0.246 0.000 0.835 94 N CB 0.029 38.645 38.487 0.214 0.000 0.989 94 N HN 0.482 nan 8.380 nan 0.000 0.478 95 L N -0.297 121.097 121.223 0.285 0.000 2.141 95 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 95 L C 0.328 177.374 176.870 0.295 0.000 1.094 95 L CA 0.806 55.844 54.840 0.331 0.000 0.763 95 L CB 0.192 42.468 42.059 0.363 0.000 0.908 95 L HN -0.116 nan 8.230 nan 0.000 0.437 96 V N 0.005 120.016 119.914 0.161 0.000 2.370 96 V HA 0.120 4.240 4.120 -0.000 0.000 0.283 96 V C 0.558 176.558 176.094 -0.157 0.000 1.023 96 V CA -0.524 61.646 62.300 -0.217 0.000 0.857 96 V CB 1.675 33.064 31.823 -0.722 0.000 0.985 96 V HN 0.184 nan 8.190 nan 0.000 0.443 97 Q N 3.572 123.292 119.800 -0.134 0.000 2.123 97 Q HA 0.200 4.540 4.340 -0.000 0.000 0.196 97 Q C 0.453 176.361 176.000 -0.153 0.000 0.958 97 Q CA 1.018 56.784 55.803 -0.061 0.000 0.841 97 Q CB 0.441 29.179 28.738 0.000 0.000 0.915 97 Q HN 0.613 nan 8.270 nan 0.000 0.455 98 R N -0.758 119.601 120.500 -0.236 0.000 2.707 98 R HA 0.616 4.956 4.340 -0.000 0.000 0.272 98 R C -1.399 174.709 176.300 -0.320 0.000 1.011 98 R CA -0.484 55.468 56.100 -0.248 0.000 0.893 98 R CB 2.376 32.580 30.300 -0.160 0.000 1.233 98 R HN -0.181 nan 8.270 nan 0.000 0.464 99 V N 3.219 122.953 119.914 -0.301 0.000 2.686 99 V HA 0.577 4.697 4.120 -0.000 0.000 0.306 99 V C -1.030 174.931 176.094 -0.221 0.000 1.065 99 V CA -0.741 61.377 62.300 -0.303 0.000 0.894 99 V CB 2.084 33.695 31.823 -0.354 0.000 1.004 99 V HN 0.533 nan 8.190 nan 0.000 0.424 100 I N 4.690 125.149 120.570 -0.184 0.000 2.569 100 I HA 0.492 4.662 4.170 -0.000 0.000 0.290 100 I C -1.161 174.872 176.117 -0.139 0.000 1.088 100 I CA -0.524 60.671 61.300 -0.174 0.000 1.047 100 I CB 1.972 39.884 38.000 -0.147 0.000 1.237 100 I HN 0.638 nan 8.210 nan 0.000 0.421 101 Y N 6.100 126.215 120.300 -0.307 0.000 2.393 101 Y HA 0.715 5.265 4.550 -0.000 0.000 0.341 101 Y C -1.734 173.994 175.900 -0.286 0.000 0.988 101 Y CA -0.851 57.107 58.100 -0.237 0.000 1.078 101 Y CB 1.351 39.681 38.460 -0.216 0.000 1.203 101 Y HN 0.464 nan 8.280 nan 0.000 0.453 102 Y N 4.124 123.866 120.300 -0.929 0.000 2.425 102 Y HA 0.305 4.855 4.550 -0.000 0.000 0.344 102 Y C -0.251 175.082 175.900 -0.945 0.000 0.969 102 Y CA -1.179 56.560 58.100 -0.602 0.000 1.052 102 Y CB 1.313 39.581 38.460 -0.320 0.000 1.215 102 Y HN 0.716 nan 8.280 nan 0.000 0.451 103 D N 2.273 122.524 120.400 -0.248 0.000 2.478 103 D HA 0.252 4.892 4.640 -0.000 0.000 0.269 103 D C -2.194 174.098 176.300 -0.012 0.000 1.232 103 D CA -2.227 51.724 54.000 -0.081 0.000 1.059 103 D CB 0.243 41.181 40.800 0.229 0.000 1.104 103 D HN 0.164 nan 8.370 nan 0.000 0.566 104 P HA -0.070 nan 4.420 nan 0.000 0.221 104 P C 0.075 177.393 177.300 0.029 0.000 1.145 104 P CA 1.063 64.179 63.100 0.026 0.000 0.795 104 P CB 0.097 31.825 31.700 0.046 0.000 0.775 105 D N -1.993 118.442 120.400 0.059 0.000 2.328 105 D HA 0.034 4.674 4.640 -0.000 0.000 0.221 105 D C 0.386 176.719 176.300 0.055 0.000 1.072 105 D CA 0.100 54.132 54.000 0.054 0.000 0.850 105 D CB -0.662 40.180 40.800 0.070 0.000 0.922 105 D HN 0.005 nan 8.370 nan 0.000 0.516 106 N N 1.098 119.831 118.700 0.054 0.000 2.741 106 N HA -0.228 4.512 4.740 -0.000 0.000 0.250 106 N C -0.323 175.304 175.510 0.194 0.000 1.115 106 N CA 0.454 53.550 53.050 0.077 0.000 0.724 106 N CB -0.910 37.570 38.487 -0.011 0.000 1.090 106 N HN 0.165 nan 8.380 nan 0.000 0.558 107 Q N 1.047 120.957 119.800 0.184 0.000 2.279 107 Q HA 0.300 4.640 4.340 -0.000 0.000 0.256 107 Q C -0.123 176.006 176.000 0.215 0.000 0.937 107 Q CA -0.287 55.619 55.803 0.172 0.000 0.933 107 Q CB 0.751 29.565 28.738 0.127 0.000 1.189 107 Q HN 0.300 nan 8.270 nan 0.000 0.417 108 R N 3.953 124.503 120.500 0.083 0.000 2.438 108 R HA 0.191 4.531 4.340 -0.000 0.000 0.287 108 R C -0.088 176.216 176.300 0.006 0.000 1.077 108 R CA 0.068 56.075 56.100 -0.154 0.000 1.034 108 R CB 0.423 30.538 30.300 -0.308 0.000 0.993 108 R HN 0.885 nan 8.270 nan 0.000 0.459 109 H N 0.904 119.914 119.070 -0.100 0.000 4.661 109 H HA 0.147 4.703 4.556 -0.000 0.000 0.141 109 H C 0.059 175.294 175.328 -0.156 0.000 1.436 109 H CA -0.458 55.559 56.048 -0.052 0.000 1.052 109 H CB 0.142 29.950 29.762 0.075 0.000 1.383 109 H HN 0.434 nan 8.280 nan 0.000 0.422 110 T N 1.377 115.923 114.554 -0.014 0.000 2.940 110 T HA 0.087 4.437 4.350 -0.000 0.000 0.309 110 T C 0.085 174.698 174.700 -0.144 0.000 1.056 110 T CA 0.522 62.531 62.100 -0.152 0.000 1.137 110 T CB 0.314 69.052 68.868 -0.217 0.000 0.976 110 T HN 0.419 nan 8.240 nan 0.000 0.547 111 E N 1.777 121.895 120.200 -0.135 0.000 2.542 111 E HA 0.440 4.790 4.350 -0.000 0.000 0.298 111 E C -0.869 175.670 176.600 -0.101 0.000 0.980 111 E CA -0.494 55.829 56.400 -0.129 0.000 0.792 111 E CB 1.035 30.669 29.700 -0.110 0.000 1.463 111 E HN 0.584 nan 8.360 nan 0.000 0.389 112 T N 1.163 115.629 114.554 -0.147 0.000 2.665 112 T HA 0.469 4.819 4.350 -0.000 0.000 0.303 112 T C -0.993 173.550 174.700 -0.261 0.000 1.334 112 T CA -0.159 61.847 62.100 -0.157 0.000 1.011 112 T CB 1.010 69.840 68.868 -0.063 0.000 1.573 112 T HN 0.458 nan 8.240 nan 0.000 0.492 113 S N 0.014 115.477 115.700 -0.396 0.000 2.617 113 S HA 0.486 4.956 4.470 -0.000 0.000 0.269 113 S C 1.638 175.943 174.600 -0.492 0.000 1.292 113 S CA 0.046 57.939 58.200 -0.512 0.000 1.010 113 S CB 0.879 63.516 63.200 -0.939 0.000 0.944 113 S HN 1.079 nan 8.310 nan 0.000 0.536 114 G N 1.217 109.805 108.800 -0.353 0.000 2.440 114 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 114 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 114 G C 1.325 176.208 174.900 -0.030 0.000 1.154 114 G CA 0.806 45.765 45.100 -0.235 0.000 0.767 114 G HN 0.960 nan 8.290 nan 0.000 0.552 115 W N 0.202 121.459 121.300 -0.072 0.000 2.363 115 W HA -0.048 4.612 4.660 -0.000 0.000 0.296 115 W C 1.801 178.015 176.519 -0.509 0.000 1.212 115 W CA 0.886 57.994 57.345 -0.396 0.000 1.260 115 W CB -1.088 28.100 29.460 -0.454 0.000 1.131 115 W HN 0.425 nan 8.180 nan 0.000 0.530 116 H N 1.166 119.805 119.070 -0.718 0.000 2.357 116 H HA -0.173 4.383 4.556 -0.000 0.000 0.301 116 H C 2.359 177.557 175.328 -0.216 0.000 1.082 116 H CA 1.743 57.519 56.048 -0.453 0.000 1.342 116 H CB -0.069 29.226 29.762 -0.778 0.000 1.389 116 H HN 0.118 nan 8.280 nan 0.000 0.511 117 L N 0.963 121.951 121.223 -0.391 0.000 2.042 117 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 117 L C 2.554 179.322 176.870 -0.171 0.000 1.076 117 L CA 2.366 57.016 54.840 -0.318 0.000 0.749 117 L CB -1.066 40.871 42.059 -0.203 0.000 0.893 117 L HN 0.358 nan 8.230 nan 0.000 0.432 118 H N -1.003 117.981 119.070 -0.144 0.000 2.353 118 H HA -0.187 4.369 4.556 0.000 0.000 0.300 118 H C 1.916 177.216 175.328 -0.046 0.000 1.090 118 H CA 2.230 58.187 56.048 -0.151 0.000 1.327 118 H CB -0.565 29.079 29.762 -0.197 0.000 1.383 118 H HN 0.469 nan 8.280 nan 0.000 0.508 119 F N -0.759 119.072 119.950 -0.198 0.000 2.216 119 F HA -0.157 4.370 4.527 -0.000 0.000 0.300 119 F C 2.524 178.251 175.800 -0.121 0.000 1.085 119 F CA 0.551 58.481 58.000 -0.116 0.000 1.326 119 F CB -0.036 38.938 39.000 -0.043 0.000 1.027 119 F HN 0.085 nan 8.300 nan 0.000 0.497 120 V N 0.260 120.163 119.914 -0.018 0.000 2.453 120 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 120 V C 1.645 177.679 176.094 -0.100 0.000 1.048 120 V CA 1.960 64.233 62.300 -0.045 0.000 1.049 120 V CB -0.780 30.956 31.823 -0.145 0.000 0.672 120 V HN 0.376 nan 8.190 nan 0.000 0.457 121 N N -0.265 118.284 118.700 -0.252 0.000 2.104 121 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 121 N C 1.833 177.201 175.510 -0.236 0.000 1.024 121 N CA 1.816 54.591 53.050 -0.460 0.000 0.853 121 N CB -0.212 37.571 38.487 -1.174 0.000 1.008 121 N HN 0.414 nan 8.380 nan 0.000 0.424 122 T N 0.565 115.016 114.554 -0.171 0.000 2.708 122 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 122 T C 2.062 176.733 174.700 -0.048 0.000 1.037 122 T CA 1.189 63.267 62.100 -0.037 0.000 1.146 122 T CB -0.326 68.501 68.868 -0.069 0.000 0.865 122 T HN 0.332 nan 8.240 nan 0.000 0.435 123 A N 1.915 124.714 122.820 -0.035 0.000 1.908 123 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 123 A C 2.265 179.841 177.584 -0.013 0.000 1.181 123 A CA 1.365 53.347 52.037 -0.093 0.000 0.627 123 A CB -0.323 18.564 19.000 -0.187 0.000 0.818 123 A HN 0.303 nan 8.150 nan 0.000 0.445 124 K N -0.585 119.811 120.400 -0.005 0.000 2.217 124 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 124 K C 2.121 178.705 176.600 -0.027 0.000 1.051 124 K CA 1.407 57.680 56.287 -0.023 0.000 0.952 124 K CB -0.201 32.258 32.500 -0.068 0.000 0.736 124 K HN 0.771 nan 8.250 nan 0.000 0.453 125 Q N -0.004 119.799 119.800 0.004 0.000 2.187 125 Q HA -0.069 4.271 4.340 -0.000 0.000 0.199 125 Q C 0.675 176.663 176.000 -0.019 0.000 0.957 125 Q CA 1.304 57.115 55.803 0.014 0.000 0.857 125 Q CB 0.269 29.068 28.738 0.102 0.000 0.929 125 Q HN 0.422 nan 8.270 nan 0.000 0.453 126 G N -0.566 108.217 108.800 -0.029 0.000 2.141 126 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.231 126 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.231 126 G C -0.058 174.801 174.900 -0.068 0.000 0.984 126 G CA 0.172 45.246 45.100 -0.043 0.000 0.660 126 G HN 0.840 nan 8.290 nan 0.000 0.525 127 A N -1.276 121.501 122.820 -0.072 0.000 2.586 127 A HA 0.790 5.110 4.320 -0.000 0.000 0.291 127 A C -3.155 174.395 177.584 -0.056 0.000 1.062 127 A CA -0.746 51.241 52.037 -0.084 0.000 0.666 127 A CB 0.712 19.673 19.000 -0.066 0.000 1.281 127 A HN 0.157 nan 8.150 nan 0.000 0.421 128 P HA 0.129 nan 4.420 nan 0.000 0.258 128 P C -0.349 177.015 177.300 0.107 0.000 1.172 128 P CA 0.518 63.634 63.100 0.026 0.000 0.762 128 P CB -0.146 31.570 31.700 0.027 0.000 0.764 129 F N 5.764 125.721 119.950 0.010 0.000 2.580 129 F HA -0.069 4.458 4.527 -0.000 0.000 0.398 129 F C 1.171 176.992 175.800 0.036 0.000 1.023 129 F CA 0.375 58.390 58.000 0.025 0.000 1.188 129 F CB -0.426 38.613 39.000 0.066 0.000 1.005 129 F HN 0.274 nan 8.300 nan 0.000 0.546 130 L N 3.579 124.445 121.223 -0.595 0.000 3.976 130 L HA -0.327 4.013 4.340 -0.000 0.000 0.418 130 L C 0.654 177.374 176.870 -0.250 0.000 1.177 130 L CA 0.549 55.055 54.840 -0.556 0.000 0.968 130 L CB -2.381 39.197 42.059 -0.803 0.000 1.933 130 L HN 0.726 nan 8.230 nan 0.000 0.976 131 S N -1.846 113.772 115.700 -0.137 0.000 2.645 131 S HA 0.516 4.986 4.470 -0.000 0.000 0.266 131 S C 0.324 174.875 174.600 -0.080 0.000 1.258 131 S CA -0.052 58.106 58.200 -0.070 0.000 0.990 131 S CB 2.184 65.370 63.200 -0.025 0.000 0.967 131 S HN 0.273 nan 8.310 nan 0.000 0.556 132 S N 1.443 117.112 115.700 -0.051 0.000 2.474 132 S HA 0.405 4.875 4.470 -0.000 0.000 0.321 132 S C -0.355 174.224 174.600 -0.035 0.000 1.080 132 S CA -0.830 57.343 58.200 -0.044 0.000 1.106 132 S CB -0.003 63.183 63.200 -0.024 0.000 0.984 132 S HN 0.774 nan 8.310 nan 0.000 0.464 133 M N 5.891 125.463 119.600 -0.047 0.000 2.238 133 M HA 0.369 4.849 4.480 -0.000 0.000 0.347 133 M C -1.062 175.219 176.300 -0.032 0.000 1.173 133 M CA -0.257 55.017 55.300 -0.044 0.000 1.147 133 M CB 0.639 33.203 32.600 -0.061 0.000 1.547 133 M HN 0.423 nan 8.290 nan 0.000 0.455 134 V N 4.724 124.624 119.914 -0.023 0.000 2.498 134 V HA 0.467 4.587 4.120 -0.000 0.000 0.279 134 V C 0.442 176.526 176.094 -0.017 0.000 1.048 134 V CA -0.218 62.075 62.300 -0.011 0.000 0.967 134 V CB 0.991 32.811 31.823 -0.004 0.000 0.988 134 V HN 1.022 nan 8.190 nan 0.000 0.473 135 T N -0.085 114.462 114.554 -0.011 0.000 2.838 135 T HA 0.353 4.703 4.350 -0.000 0.000 0.292 135 T C 0.273 174.974 174.700 0.003 0.000 1.113 135 T CA -0.262 61.829 62.100 -0.016 0.000 1.008 135 T CB 1.910 70.753 68.868 -0.041 0.000 1.259 135 T HN 0.619 nan 8.240 nan 0.000 0.520 136 D N -0.130 120.271 120.400 0.002 0.000 2.328 136 D HA 0.083 4.723 4.640 -0.000 0.000 0.226 136 D C 0.655 176.970 176.300 0.026 0.000 1.066 136 D CA -0.191 53.815 54.000 0.011 0.000 0.861 136 D CB -0.355 40.448 40.800 0.005 0.000 0.912 136 D HN 0.388 nan 8.370 nan 0.000 0.521 137 S N 1.818 117.543 115.700 0.041 0.000 2.525 137 S HA 0.091 4.561 4.470 -0.000 0.000 0.285 137 S C -1.045 173.609 174.600 0.090 0.000 1.283 137 S CA -0.924 57.326 58.200 0.082 0.000 1.072 137 S CB 0.999 64.290 63.200 0.151 0.000 0.867 137 S HN 0.098 nan 8.310 nan 0.000 0.492 138 P HA 0.081 nan 4.420 nan 0.000 0.227 138 P C 0.123 177.441 177.300 0.030 0.000 1.161 138 P CA 0.270 63.394 63.100 0.040 0.000 0.788 138 P CB -0.017 31.698 31.700 0.025 0.000 0.822 139 I N 1.178 121.780 120.570 0.054 0.000 2.648 139 I HA -0.021 4.149 4.170 -0.000 0.000 0.284 139 I C 1.331 177.395 176.117 -0.089 0.000 1.153 139 I CA 0.275 61.547 61.300 -0.046 0.000 1.426 139 I CB 0.233 38.203 38.000 -0.050 0.000 1.381 139 I HN -0.271 nan 8.210 nan 0.000 0.571 140 K N 6.666 126.960 120.400 -0.177 0.000 3.000 140 K HA 0.096 4.416 4.320 -0.000 0.000 0.265 140 K C -0.731 175.777 176.600 -0.154 0.000 1.260 140 K CA -0.016 56.196 56.287 -0.124 0.000 1.209 140 K CB -0.528 31.918 32.500 -0.090 0.000 1.484 140 K HN 0.388 nan 8.250 nan 0.000 0.283 141 Y N 0.444 120.732 120.300 -0.019 0.000 2.281 141 Y HA 0.317 4.867 4.550 -0.000 0.000 0.337 141 Y C 1.546 177.432 175.900 -0.023 0.000 1.304 141 Y CA 0.586 58.671 58.100 -0.024 0.000 1.465 141 Y CB 0.930 39.373 38.460 -0.027 0.000 1.350 141 Y HN 0.469 nan 8.280 nan 0.000 0.575 142 G N 0.157 109.051 108.800 0.157 0.000 2.302 142 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.264 142 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.264 142 G C -1.770 173.154 174.900 0.039 0.000 1.335 142 G CA -0.866 44.279 45.100 0.074 0.000 0.982 142 G HN 0.540 nan 8.290 nan 0.000 0.473 143 D N 0.499 120.913 120.400 0.022 0.000 2.470 143 D HA 0.437 5.077 4.640 -0.000 0.000 0.226 143 D C 1.353 177.660 176.300 0.011 0.000 1.196 143 D CA 0.192 54.199 54.000 0.012 0.000 0.979 143 D CB 0.741 41.548 40.800 0.012 0.000 1.059 143 D HN 0.268 nan 8.370 nan 0.000 0.515 144 V N 3.153 123.072 119.914 0.008 0.000 2.672 144 V HA -0.023 4.097 4.120 -0.000 0.000 0.242 144 V C 1.877 177.973 176.094 0.003 0.000 1.059 144 V CA 0.715 63.017 62.300 0.002 0.000 1.081 144 V CB -0.093 31.727 31.823 -0.005 0.000 0.752 144 V HN 0.557 nan 8.190 nan 0.000 0.472 145 M N -0.421 119.179 119.600 0.001 0.000 2.371 145 M HA 0.285 4.766 4.480 -0.000 0.000 0.246 145 M C 0.382 176.695 176.300 0.022 0.000 1.103 145 M CA 0.108 55.412 55.300 0.007 0.000 1.010 145 M CB -0.648 31.948 32.600 -0.007 0.000 1.457 145 M HN 0.380 nan 8.290 nan 0.000 0.486 146 N N 1.199 119.912 118.700 0.021 0.000 2.705 146 N HA -0.142 4.598 4.740 -0.000 0.000 0.255 146 N C 1.006 176.554 175.510 0.064 0.000 1.008 146 N CA 0.251 53.323 53.050 0.037 0.000 0.742 146 N CB -1.125 37.389 38.487 0.045 0.000 0.906 146 N HN 0.148 nan 8.380 nan 0.000 0.541 147 V N -0.220 119.715 119.914 0.035 0.000 2.261 147 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 147 V C 1.405 177.601 176.094 0.170 0.000 1.047 147 V CA 1.567 63.900 62.300 0.056 0.000 1.015 147 V CB 0.025 31.764 31.823 -0.141 0.000 0.642 147 V HN 0.404 nan 8.190 nan 0.000 0.446 148 I N 0.406 121.025 120.570 0.081 0.000 2.447 148 I HA 0.504 4.674 4.170 -0.000 0.000 0.287 148 I C -1.141 175.010 176.117 0.056 0.000 1.023 148 I CA -0.317 61.039 61.300 0.095 0.000 1.083 148 I CB 1.796 39.832 38.000 0.060 0.000 1.245 148 I HN 0.257 nan 8.210 nan 0.000 0.434 149 D N 5.464 125.901 120.400 0.062 0.000 2.717 149 D HA 0.786 5.426 4.640 -0.000 0.000 0.223 149 D C -1.670 174.671 176.300 0.068 0.000 1.240 149 D CA -0.309 53.725 54.000 0.056 0.000 0.801 149 D CB 2.254 43.089 40.800 0.059 0.000 1.556 149 D HN 0.698 nan 8.370 nan 0.000 0.462 150 A N 2.441 125.304 122.820 0.072 0.000 2.532 150 A HA 0.643 4.963 4.320 -0.000 0.000 0.296 150 A C -2.818 174.842 177.584 0.128 0.000 1.058 150 A CA -1.154 50.950 52.037 0.112 0.000 0.729 150 A CB 1.413 20.463 19.000 0.083 0.000 1.285 150 A HN 0.438 nan 8.150 nan 0.000 0.396 151 P HA 0.277 nan 4.420 nan 0.000 0.268 151 P C 0.990 178.413 177.300 0.204 0.000 1.204 151 P CA 0.509 63.701 63.100 0.153 0.000 0.768 151 P CB 1.227 33.000 31.700 0.121 0.000 0.842 152 A N 3.491 126.390 122.820 0.131 0.000 1.978 152 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 152 A C 1.117 178.815 177.584 0.190 0.000 1.170 152 A CA 1.895 54.005 52.037 0.120 0.000 0.636 152 A CB -0.929 18.113 19.000 0.071 0.000 0.810 152 A HN 0.741 nan 8.150 nan 0.000 0.448 153 T N -3.749 110.909 114.554 0.175 0.000 2.883 153 T HA 0.676 5.026 4.350 -0.000 0.000 0.301 153 T C -0.864 173.857 174.700 0.036 0.000 1.158 153 T CA -0.627 61.561 62.100 0.145 0.000 1.007 153 T CB 1.505 70.412 68.868 0.066 0.000 1.186 153 T HN 0.174 nan 8.240 nan 0.000 0.499 154 I N 1.772 122.286 120.570 -0.093 0.000 2.439 154 I HA 0.567 4.737 4.170 -0.000 0.000 0.283 154 I C 0.639 176.674 176.117 -0.138 0.000 1.023 154 I CA -1.125 60.062 61.300 -0.187 0.000 1.100 154 I CB 1.408 39.159 38.000 -0.415 0.000 1.238 154 I HN 1.025 nan 8.210 nan 0.000 0.445 155 A N 4.694 127.463 122.820 -0.085 0.000 2.346 155 A HA 0.698 5.018 4.320 -0.000 0.000 0.252 155 A C 0.658 178.201 177.584 -0.067 0.000 1.089 155 A CA -0.247 51.753 52.037 -0.061 0.000 0.797 155 A CB 0.437 19.415 19.000 -0.036 0.000 1.047 155 A HN 0.838 nan 8.150 nan 0.000 0.494 156 A N -0.056 122.740 122.820 -0.040 0.000 2.566 156 A HA 0.457 4.777 4.320 -0.000 0.000 0.245 156 A C 1.621 179.187 177.584 -0.030 0.000 1.056 156 A CA 0.927 52.954 52.037 -0.016 0.000 0.757 156 A CB -1.021 18.000 19.000 0.034 0.000 0.979 156 A HN 2.755 nan 8.150 nan 0.000 0.508 157 G N 0.707 109.481 108.800 -0.043 0.000 2.176 157 G HA2 0.149 4.109 3.960 -0.000 0.000 0.253 157 G HA3 0.149 4.109 3.960 -0.000 0.000 0.253 157 G C 0.520 175.387 174.900 -0.054 0.000 0.979 157 G CA 0.612 45.685 45.100 -0.046 0.000 0.641 157 G HN 2.196 nan 8.290 nan 0.000 0.530 158 A N -0.580 122.198 122.820 -0.069 0.000 2.281 158 A HA 0.881 5.201 4.320 -0.000 0.000 0.329 158 A C 0.175 177.704 177.584 -0.092 0.000 1.122 158 A CA 0.536 52.531 52.037 -0.070 0.000 0.850 158 A CB 1.230 20.190 19.000 -0.066 0.000 1.207 158 A HN 0.702 nan 8.150 nan 0.000 0.495 159 T N 0.567 115.078 114.554 -0.072 0.000 2.812 159 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 159 T C 0.157 174.823 174.700 -0.056 0.000 0.990 159 T CA 0.021 62.078 62.100 -0.071 0.000 0.960 159 T CB 1.535 70.377 68.868 -0.043 0.000 0.948 159 T HN 1.054 nan 8.240 nan 0.000 0.438 160 G N 1.861 110.621 108.800 -0.066 0.000 2.432 160 G HA2 0.660 4.620 3.960 -0.000 0.000 0.331 160 G HA3 0.660 4.620 3.960 -0.000 0.000 0.331 160 G C -0.971 173.945 174.900 0.027 0.000 1.170 160 G CA -0.607 44.480 45.100 -0.021 0.000 0.943 160 G HN 0.490 nan 8.290 nan 0.000 0.483 161 E N 0.665 120.897 120.200 0.052 0.000 2.183 161 E HA 0.488 4.838 4.350 -0.000 0.000 0.271 161 E C -0.444 176.215 176.600 0.097 0.000 0.919 161 E CA -0.422 56.019 56.400 0.068 0.000 0.781 161 E CB 2.452 32.180 29.700 0.047 0.000 1.140 161 E HN 0.306 nan 8.360 nan 0.000 0.402 162 L N 0.867 122.159 121.223 0.114 0.000 2.354 162 L HA 0.653 4.993 4.340 -0.000 0.000 0.264 162 L C -0.122 176.806 176.870 0.097 0.000 1.008 162 L CA -0.887 54.027 54.840 0.123 0.000 0.819 162 L CB 2.144 44.306 42.059 0.171 0.000 1.339 162 L HN 0.333 nan 8.230 nan 0.000 0.420 163 T N 2.153 116.759 114.554 0.087 0.000 2.916 163 T HA 0.703 5.053 4.350 -0.000 0.000 0.298 163 T C -0.855 173.886 174.700 0.069 0.000 1.031 163 T CA -0.437 61.707 62.100 0.074 0.000 0.993 163 T CB 2.279 71.211 68.868 0.107 0.000 1.045 163 T HN 0.504 nan 8.240 nan 0.000 0.454 164 M N 2.935 122.545 119.600 0.016 0.000 2.484 164 M HA 0.671 5.151 4.480 -0.000 0.000 0.289 164 M C -2.433 173.808 176.300 -0.098 0.000 1.206 164 M CA -0.710 54.576 55.300 -0.024 0.000 0.892 164 M CB 1.762 34.324 32.600 -0.064 0.000 1.712 164 M HN 0.631 nan 8.290 nan 0.000 0.462 165 Y N 2.573 122.833 120.300 -0.068 0.000 2.462 165 Y HA 0.704 5.254 4.550 -0.000 0.000 0.346 165 Y C -1.565 174.370 175.900 0.058 0.000 0.976 165 Y CA -0.328 57.842 58.100 0.116 0.000 1.044 165 Y CB 2.088 40.671 38.460 0.204 0.000 1.230 165 Y HN 0.621 nan 8.280 nan 0.000 0.455 166 Y N 1.424 122.008 120.300 0.473 0.000 2.477 166 Y HA 0.269 4.819 4.550 -0.000 0.000 0.347 166 Y C -0.946 175.172 175.900 0.363 0.000 0.981 166 Y CA -1.522 56.759 58.100 0.302 0.000 1.033 166 Y CB 1.937 40.456 38.460 0.098 0.000 1.245 166 Y HN 0.646 nan 8.280 nan 0.000 0.455 167 W N 5.224 126.612 121.300 0.148 0.000 2.329 167 W HA 0.658 5.318 4.660 -0.000 0.000 0.312 167 W C -1.859 174.684 176.519 0.040 0.000 1.054 167 W CA -1.017 56.404 57.345 0.126 0.000 1.245 167 W CB 1.408 30.900 29.460 0.053 0.000 1.255 167 W HN 0.306 nan 8.180 nan 0.000 0.436 168 V N 9.459 129.095 119.914 -0.464 0.000 2.334 168 V HA 0.185 4.305 4.120 -0.000 0.000 0.267 168 V C -1.591 174.002 176.094 -0.834 0.000 1.040 168 V CA -1.553 60.473 62.300 -0.457 0.000 0.866 168 V CB 0.886 32.572 31.823 -0.229 0.000 1.019 168 V HN 0.367 nan 8.190 nan 0.000 0.468 169 P HA 0.393 nan 4.420 nan 0.000 0.282 169 P C 0.046 177.216 177.300 -0.215 0.000 1.249 169 P CA -0.299 62.594 63.100 -0.346 0.000 0.806 169 P CB 2.508 34.329 31.700 0.201 0.000 0.984 170 L N 1.254 122.403 121.223 -0.124 0.000 2.675 170 L HA 0.327 4.667 4.340 -0.000 0.000 0.178 170 L C 1.363 178.360 176.870 0.213 0.000 1.135 170 L CA 0.096 54.890 54.840 -0.076 0.000 0.855 170 L CB -0.783 41.105 42.059 -0.285 0.000 1.235 170 L HN 0.323 nan 8.230 nan 0.000 0.499 171 A N -0.918 122.000 122.820 0.163 0.000 2.407 171 A HA -0.006 4.314 4.320 -0.000 0.000 0.248 171 A C 0.513 178.265 177.584 0.280 0.000 1.082 171 A CA 0.016 52.173 52.037 0.201 0.000 0.785 171 A CB -0.004 19.076 19.000 0.133 0.000 1.020 171 A HN 0.357 nan 8.150 nan 0.000 0.489 172 Y N 2.232 122.535 120.300 0.005 0.000 2.181 172 Y HA -0.012 4.538 4.550 0.000 0.000 0.288 172 Y C 1.263 177.134 175.900 -0.049 0.000 1.146 172 Y CA 1.720 59.659 58.100 -0.268 0.000 1.164 172 Y CB 0.011 38.331 38.460 -0.233 0.000 0.982 172 Y HN 0.884 nan 8.280 nan 0.000 0.515 173 S N -2.434 113.245 115.700 -0.035 0.000 2.757 173 S HA 0.263 4.733 4.470 -0.000 0.000 0.285 173 S C 0.368 174.952 174.600 -0.026 0.000 1.196 173 S CA -0.625 57.509 58.200 -0.111 0.000 0.856 173 S CB 1.064 64.174 63.200 -0.150 0.000 1.212 173 S HN 0.076 nan 8.310 nan 0.000 0.516 174 E N 1.075 121.230 120.200 -0.075 0.000 2.204 174 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 174 E C 1.718 178.293 176.600 -0.041 0.000 0.989 174 E CA 1.907 58.264 56.400 -0.071 0.000 0.824 174 E CB -0.368 29.261 29.700 -0.118 0.000 0.756 174 E HN 0.848 nan 8.360 nan 0.000 0.477 175 T N -2.438 112.104 114.554 -0.020 0.000 2.990 175 T HA 0.051 4.401 4.350 -0.000 0.000 0.250 175 T C 0.472 175.184 174.700 0.020 0.000 1.041 175 T CA -0.292 61.805 62.100 -0.006 0.000 1.010 175 T CB 0.425 69.288 68.868 -0.007 0.000 1.003 175 T HN -0.201 nan 8.240 nan 0.000 0.499 176 D N 1.217 121.652 120.400 0.057 0.000 2.441 176 D HA 0.308 4.948 4.640 -0.000 0.000 0.231 176 D C 0.617 176.959 176.300 0.070 0.000 1.073 176 D CA -0.718 53.329 54.000 0.078 0.000 0.850 176 D CB 0.951 41.862 40.800 0.185 0.000 1.062 176 D HN 0.210 nan 8.370 nan 0.000 0.524 177 L N 2.586 123.821 121.223 0.021 0.000 2.645 177 L HA 0.084 4.424 4.340 -0.000 0.000 0.235 177 L C 0.756 177.624 176.870 -0.004 0.000 1.150 177 L CA 0.169 55.021 54.840 0.019 0.000 0.911 177 L CB -0.373 41.688 42.059 0.004 0.000 1.077 177 L HN 0.262 nan 8.230 nan 0.000 0.438 178 T N 0.760 115.278 114.554 -0.061 0.000 2.871 178 T HA 0.248 4.598 4.350 -0.000 0.000 0.296 178 T C 1.245 175.921 174.700 -0.041 0.000 0.998 178 T CA 1.010 62.993 62.100 -0.195 0.000 1.162 178 T CB 0.910 69.438 68.868 -0.566 0.000 0.947 178 T HN 0.623 nan 8.240 nan 0.000 0.536 179 G N 2.078 110.881 108.800 0.006 0.000 2.194 179 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.236 179 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.236 179 G C 0.372 175.378 174.900 0.177 0.000 0.987 179 G CA -0.041 45.166 45.100 0.177 0.000 0.635 179 G HN 1.149 nan 8.290 nan 0.000 0.520 180 A N -0.495 122.385 122.820 0.099 0.000 2.429 180 A HA 0.645 4.965 4.320 -0.000 0.000 0.242 180 A C 0.408 178.036 177.584 0.073 0.000 1.088 180 A CA 0.811 52.883 52.037 0.060 0.000 0.784 180 A CB 0.834 19.855 19.000 0.037 0.000 1.038 180 A HN 1.213 nan 8.150 nan 0.000 0.501 181 V N 1.621 121.557 119.914 0.036 0.000 2.487 181 V HA 0.322 4.442 4.120 -0.000 0.000 0.298 181 V C -0.567 175.561 176.094 0.056 0.000 1.028 181 V CA -0.506 61.837 62.300 0.072 0.000 0.860 181 V CB 1.403 33.270 31.823 0.075 0.000 0.991 181 V HN 0.775 nan 8.190 nan 0.000 0.427 182 L N 5.317 126.581 121.223 0.067 0.000 2.283 182 L HA 0.715 5.055 4.340 -0.000 0.000 0.287 182 L C 0.485 177.390 176.870 0.059 0.000 1.073 182 L CA 0.155 55.026 54.840 0.051 0.000 0.822 182 L CB 0.771 42.865 42.059 0.059 0.000 1.186 182 L HN 0.746 nan 8.230 nan 0.000 0.436 183 A N 4.309 127.153 122.820 0.039 0.000 2.938 183 A HA 0.495 4.815 4.320 -0.000 0.000 0.344 183 A C -0.065 177.531 177.584 0.021 0.000 1.142 183 A CA -0.444 51.616 52.037 0.038 0.000 0.841 183 A CB -0.624 18.399 19.000 0.039 0.000 1.083 183 A HN 0.811 nan 8.150 nan 0.000 0.479 184 N N -0.083 118.645 118.700 0.047 0.000 2.299 184 N HA 0.183 4.923 4.740 -0.000 0.000 0.246 184 N C -0.991 174.555 175.510 0.061 0.000 1.254 184 N CA -0.169 52.917 53.050 0.060 0.000 0.879 184 N CB 0.585 39.141 38.487 0.116 0.000 1.214 184 N HN 0.063 nan 8.380 nan 0.000 0.510 185 V N 1.769 121.711 119.914 0.046 0.000 2.277 185 V HA 0.424 4.544 4.120 -0.000 0.000 0.269 185 V C -2.162 173.947 176.094 0.025 0.000 1.036 185 V CA -1.612 60.711 62.300 0.037 0.000 0.821 185 V CB 0.810 32.655 31.823 0.037 0.000 1.052 185 V HN 0.082 nan 8.190 nan 0.000 0.462 186 P HA 0.326 nan 4.420 nan 0.000 0.266 186 P C 0.630 177.935 177.300 0.009 0.000 1.195 186 P CA 1.298 64.406 63.100 0.014 0.000 0.768 186 P CB 0.515 32.223 31.700 0.014 0.000 0.838 187 Q N -0.416 119.386 119.800 0.003 0.000 2.360 187 Q HA -0.209 4.131 4.340 -0.000 0.000 0.192 187 Q C 0.451 176.448 176.000 -0.006 0.000 0.615 187 Q CA 1.422 57.224 55.803 -0.002 0.000 1.355 187 Q CB -2.735 26.002 28.738 -0.001 0.000 1.324 187 Q HN 0.513 nan 8.270 nan 0.000 0.885 188 S N 0.362 116.061 115.700 -0.002 0.000 2.653 188 S HA 0.545 5.015 4.470 -0.000 0.000 0.272 188 S C -0.212 174.383 174.600 -0.007 0.000 1.221 188 S CA 0.145 58.342 58.200 -0.005 0.000 1.149 188 S CB 0.395 63.599 63.200 0.006 0.000 1.029 188 S HN 0.830 nan 8.310 nan 0.000 0.481 189 K N 3.350 123.736 120.400 -0.023 0.000 2.087 189 K HA 0.516 4.836 4.320 -0.000 0.000 0.255 189 K C -0.217 176.353 176.600 -0.049 0.000 0.988 189 K CA -0.856 55.416 56.287 -0.026 0.000 0.915 189 K CB 0.916 33.396 32.500 -0.033 0.000 1.043 189 K HN 0.465 nan 8.250 nan 0.000 0.457 190 Q N 0.674 120.449 119.800 -0.042 0.000 2.185 190 Q HA 0.395 4.735 4.340 -0.000 0.000 0.225 190 Q C -0.768 175.139 176.000 -0.155 0.000 0.983 190 Q CA -0.824 54.912 55.803 -0.110 0.000 0.950 190 Q CB 1.334 30.080 28.738 0.013 0.000 1.176 190 Q HN 0.446 nan 8.270 nan 0.000 0.510 191 R N 0.640 120.978 120.500 -0.270 0.000 2.533 191 R HA 0.419 4.759 4.340 -0.000 0.000 0.288 191 R C -1.763 174.407 176.300 -0.216 0.000 1.039 191 R CA -0.730 55.255 56.100 -0.193 0.000 0.909 191 R CB 1.343 31.550 30.300 -0.154 0.000 1.195 191 R HN 0.351 nan 8.270 nan 0.000 0.438 192 L N 3.357 124.465 121.223 -0.192 0.000 2.324 192 L HA 0.411 4.751 4.340 -0.000 0.000 0.274 192 L C -0.963 175.796 176.870 -0.184 0.000 1.012 192 L CA -0.284 54.427 54.840 -0.215 0.000 0.859 192 L CB 0.974 42.770 42.059 -0.438 0.000 1.224 192 L HN 0.419 nan 8.230 nan 0.000 0.429 193 K N 6.144 126.464 120.400 -0.133 0.000 2.227 193 K HA 0.552 4.872 4.320 -0.000 0.000 0.280 193 K C -1.174 175.295 176.600 -0.218 0.000 1.041 193 K CA -0.401 55.807 56.287 -0.130 0.000 0.905 193 K CB 1.302 33.767 32.500 -0.059 0.000 1.068 193 K HN 0.546 nan 8.250 nan 0.000 0.470 194 L N 3.357 124.425 121.223 -0.258 0.000 2.325 194 L HA 0.324 4.664 4.340 -0.000 0.000 0.281 194 L C -0.268 176.362 176.870 -0.400 0.000 1.004 194 L CA -0.552 54.008 54.840 -0.467 0.000 0.823 194 L CB 1.527 43.174 42.059 -0.685 0.000 1.236 194 L HN 0.527 nan 8.230 nan 0.000 0.415 195 E N 3.808 123.754 120.200 -0.424 0.000 2.114 195 E HA 0.392 4.742 4.350 -0.000 0.000 0.266 195 E C -1.092 175.339 176.600 -0.282 0.000 0.896 195 E CA -0.452 55.813 56.400 -0.224 0.000 0.750 195 E CB 1.445 31.061 29.700 -0.140 0.000 1.121 195 E HN 0.261 nan 8.360 nan 0.000 0.413 196 F N 1.290 121.262 119.950 0.037 0.000 2.370 196 F HA 0.411 4.938 4.527 0.000 0.000 0.319 196 F C 1.102 176.926 175.800 0.040 0.000 1.129 196 F CA -0.739 57.298 58.000 0.061 0.000 1.109 196 F CB 0.677 39.792 39.000 0.192 0.000 1.262 196 F HN 0.399 nan 8.300 nan 0.000 0.534 197 A N 1.615 124.580 122.820 0.240 0.000 2.406 197 A HA 0.446 4.766 4.320 -0.000 0.000 0.243 197 A C -0.308 177.328 177.584 0.086 0.000 1.082 197 A CA -0.273 51.866 52.037 0.170 0.000 0.786 197 A CB -0.064 19.092 19.000 0.260 0.000 1.029 197 A HN 0.855 nan 8.150 nan 0.000 0.495 198 N N -0.667 118.154 118.700 0.202 0.000 3.157 198 N HA 0.237 4.977 4.740 -0.000 0.000 0.291 198 N C -0.071 175.693 175.510 0.424 0.000 1.515 198 N CA -0.825 52.377 53.050 0.253 0.000 0.807 198 N CB 0.107 38.707 38.487 0.189 0.000 1.672 198 N HN 0.288 nan 8.380 nan 0.000 0.592 199 N N -0.188 118.785 118.700 0.455 0.000 2.272 199 N HA -0.093 4.647 4.740 -0.000 0.000 0.185 199 N C 0.449 176.145 175.510 0.309 0.000 1.014 199 N CA 0.848 54.179 53.050 0.468 0.000 0.870 199 N CB -0.495 38.249 38.487 0.428 0.000 0.975 199 N HN 0.482 nan 8.380 nan 0.000 0.433 200 N N -0.150 118.677 118.700 0.212 0.000 2.207 200 N HA -0.072 4.668 4.740 -0.000 0.000 0.182 200 N C 1.888 177.462 175.510 0.107 0.000 1.020 200 N CA 1.606 54.749 53.050 0.154 0.000 0.858 200 N CB -0.568 37.995 38.487 0.125 0.000 0.991 200 N HN 0.459 nan 8.380 nan 0.000 0.427 201 T N -1.971 112.636 114.554 0.089 0.000 3.009 201 T HA 0.253 4.603 4.350 -0.000 0.000 0.258 201 T C 1.907 176.587 174.700 -0.032 0.000 1.063 201 T CA 0.738 62.872 62.100 0.056 0.000 1.139 201 T CB -0.094 68.826 68.868 0.088 0.000 0.890 201 T HN 0.101 nan 8.240 nan 0.000 0.471 202 A N 0.627 123.335 122.820 -0.186 0.000 2.067 202 A HA 0.415 4.735 4.320 -0.000 0.000 0.217 202 A C 0.423 177.563 177.584 -0.739 0.000 1.156 202 A CA 0.052 51.763 52.037 -0.543 0.000 0.683 202 A CB -0.479 17.986 19.000 -0.891 0.000 0.808 202 A HN 0.589 nan 8.150 nan 0.000 0.455 203 F N -0.496 119.506 119.950 0.086 0.000 2.477 203 F HA 0.640 5.167 4.527 0.000 0.000 0.335 203 F C 0.280 176.111 175.800 0.051 0.000 1.130 203 F CA -0.759 57.277 58.000 0.060 0.000 0.948 203 F CB 1.740 40.755 39.000 0.026 0.000 1.154 203 F HN 0.073 nan 8.300 nan 0.000 0.439 204 A N 2.337 125.270 122.820 0.188 0.000 2.304 204 A HA 0.853 5.173 4.320 -0.000 0.000 0.323 204 A C -0.196 177.445 177.584 0.094 0.000 1.195 204 A CA -0.604 51.498 52.037 0.109 0.000 0.826 204 A CB 0.709 19.742 19.000 0.054 0.000 1.184 204 A HN 0.907 nan 8.150 nan 0.000 0.496 205 A N 1.656 124.518 122.820 0.072 0.000 2.346 205 A HA 0.530 4.850 4.320 -0.000 0.000 0.252 205 A C 0.423 178.023 177.584 0.027 0.000 1.089 205 A CA -0.289 51.774 52.037 0.044 0.000 0.797 205 A CB -0.023 19.001 19.000 0.040 0.000 1.047 205 A HN 1.193 nan 8.150 nan 0.000 0.494 206 V N 1.034 120.955 119.914 0.010 0.000 2.694 206 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 206 V C 1.693 177.791 176.094 0.007 0.000 1.054 206 V CA 1.833 64.136 62.300 0.004 0.000 1.161 206 V CB 0.054 31.873 31.823 -0.007 0.000 0.916 206 V HN 1.959 nan 8.190 nan 0.000 0.490 207 G N 3.296 112.100 108.800 0.006 0.000 2.225 207 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.254 207 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.254 207 G C 0.434 175.339 174.900 0.008 0.000 0.988 207 G CA 0.308 45.410 45.100 0.003 0.000 0.625 207 G HN 1.506 nan 8.290 nan 0.000 0.527 208 A N -0.156 122.674 122.820 0.017 0.000 2.271 208 A HA 0.645 4.965 4.320 -0.000 0.000 0.288 208 A C 0.517 178.117 177.584 0.027 0.000 1.094 208 A CA 0.152 52.203 52.037 0.023 0.000 0.828 208 A CB 0.369 19.390 19.000 0.034 0.000 1.091 208 A HN 0.540 nan 8.150 nan 0.000 0.493 209 N N 1.180 119.900 118.700 0.033 0.000 2.431 209 N HA 0.139 4.879 4.740 -0.000 0.000 0.265 209 N C -1.695 173.836 175.510 0.036 0.000 1.184 209 N CA -1.439 51.645 53.050 0.057 0.000 0.943 209 N CB 0.986 39.508 38.487 0.058 0.000 1.080 209 N HN 0.351 nan 8.380 nan 0.000 0.477 210 P HA -0.024 nan 4.420 nan 0.000 0.255 210 P C 1.534 178.657 177.300 -0.295 0.000 1.248 210 P CA -0.115 62.911 63.100 -0.124 0.000 0.807 210 P CB 0.462 32.064 31.700 -0.164 0.000 1.150 211 L N 1.431 122.501 121.223 -0.255 0.000 2.010 211 L HA -0.194 4.146 4.340 -0.000 0.000 0.219 211 L C 1.764 178.445 176.870 -0.314 0.000 1.077 211 L CA 2.207 56.789 54.840 -0.430 0.000 0.773 211 L CB -0.886 41.142 42.059 -0.053 0.000 0.892 211 L HN -0.118 nan 8.230 nan 0.000 0.436 212 E N -0.198 119.964 120.200 -0.063 0.000 2.474 212 E HA 0.312 4.662 4.350 -0.000 0.000 0.195 212 E C 0.646 177.272 176.600 0.045 0.000 1.039 212 E CA 0.586 57.034 56.400 0.081 0.000 0.881 212 E CB -0.010 29.770 29.700 0.133 0.000 0.970 212 E HN 0.567 nan 8.360 nan 0.000 0.486 213 A N 0.687 123.482 122.820 -0.042 0.000 2.271 213 A HA 0.481 4.801 4.320 -0.000 0.000 0.288 213 A C 1.115 178.655 177.584 -0.074 0.000 1.094 213 A CA -0.394 51.610 52.037 -0.054 0.000 0.828 213 A CB 0.482 19.455 19.000 -0.046 0.000 1.091 213 A HN 0.052 nan 8.150 nan 0.000 0.493 214 I N -1.339 119.174 120.570 -0.096 0.000 2.810 214 I HA 0.117 4.287 4.170 -0.000 0.000 0.262 214 I C -0.382 175.538 176.117 -0.330 0.000 1.131 214 I CA 0.668 61.875 61.300 -0.156 0.000 1.453 214 I CB 0.009 37.966 38.000 -0.072 0.000 1.161 214 I HN 0.593 nan 8.210 nan 0.000 0.444 215 Y N 0.358 120.679 120.300 0.035 0.000 2.512 215 Y HA 0.553 5.103 4.550 0.000 0.000 0.348 215 Y C -0.278 175.684 175.900 0.103 0.000 0.990 215 Y CA -0.736 57.426 58.100 0.103 0.000 1.033 215 Y CB 1.790 40.374 38.460 0.206 0.000 1.259 215 Y HN -0.069 nan 8.280 nan 0.000 0.461 216 Q N 1.567 121.490 119.800 0.205 0.000 2.359 216 Q HA 0.769 5.109 4.340 -0.000 0.000 0.274 216 Q C -1.018 175.036 176.000 0.091 0.000 1.074 216 Q CA -0.656 55.219 55.803 0.119 0.000 0.810 216 Q CB 2.585 31.348 28.738 0.042 0.000 1.342 216 Q HN 0.964 nan 8.270 nan 0.000 0.427 217 G N 0.450 109.279 108.800 0.048 0.000 2.321 217 G HA2 0.376 4.336 3.960 -0.000 0.000 0.298 217 G HA3 0.376 4.336 3.960 -0.000 0.000 0.298 217 G C -0.367 174.498 174.900 -0.059 0.000 1.385 217 G CA -0.140 44.957 45.100 -0.004 0.000 0.856 217 G HN 0.682 nan 8.290 nan 0.000 0.584 218 A N -0.844 121.910 122.820 -0.111 0.000 2.178 218 A HA 0.352 4.672 4.320 -0.000 0.000 0.218 218 A C 2.158 179.503 177.584 -0.399 0.000 1.157 218 A CA 2.531 54.455 52.037 -0.189 0.000 0.689 218 A CB -0.363 18.531 19.000 -0.176 0.000 0.787 218 A HN 1.922 nan 8.150 nan 0.000 0.465 219 G N -1.730 106.847 108.800 -0.373 0.000 3.126 219 G HA2 0.334 4.294 3.960 -0.000 0.000 0.224 219 G HA3 0.334 4.294 3.960 -0.000 0.000 0.224 219 G C 1.319 176.118 174.900 -0.168 0.000 1.142 219 G CA 0.844 45.670 45.100 -0.456 0.000 0.759 219 G HN 0.585 nan 8.290 nan 0.000 0.550 220 A N 1.597 124.355 122.820 -0.104 0.000 1.903 220 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 220 A C 2.779 180.347 177.584 -0.026 0.000 1.191 220 A CA 2.412 54.430 52.037 -0.033 0.000 0.638 220 A CB -0.828 18.215 19.000 0.073 0.000 0.823 220 A HN 0.858 nan 8.150 nan 0.000 0.451 221 A N -0.818 122.019 122.820 0.029 0.000 2.032 221 A HA -0.176 4.144 4.320 -0.000 0.000 0.221 221 A C 1.418 179.009 177.584 0.012 0.000 1.165 221 A CA 1.822 53.889 52.037 0.050 0.000 0.645 221 A CB -0.374 18.672 19.000 0.077 0.000 0.807 221 A HN 0.504 nan 8.150 nan 0.000 0.453 222 D N -1.210 119.188 120.400 -0.003 0.000 2.388 222 D HA 0.183 4.823 4.640 -0.000 0.000 0.221 222 D C -0.421 175.764 176.300 -0.192 0.000 1.133 222 D CA -0.020 53.947 54.000 -0.055 0.000 0.831 222 D CB -0.094 40.704 40.800 -0.003 0.000 0.962 222 D HN 0.284 nan 8.370 nan 0.000 0.502 223 C N 1.163 120.229 119.300 -0.391 0.000 2.401 223 C HA 0.459 4.919 4.460 -0.000 0.000 0.365 223 C C 0.601 175.162 174.990 -0.714 0.000 1.250 223 C CA -0.470 58.068 59.018 -0.799 0.000 2.131 223 C CB 0.783 27.548 27.740 -1.624 0.000 2.445 223 C HN 0.205 nan 8.230 nan 0.000 0.550 224 E N 0.662 120.563 120.200 -0.497 0.000 2.343 224 E HA 0.361 4.711 4.350 -0.000 0.000 0.278 224 E C -1.375 175.244 176.600 0.032 0.000 0.910 224 E CA -0.485 55.869 56.400 -0.077 0.000 0.757 224 E CB 1.562 31.263 29.700 0.003 0.000 1.218 224 E HN 0.486 nan 8.360 nan 0.000 0.435 225 F N 1.762 121.861 119.950 0.250 0.000 2.459 225 F HA 0.054 4.581 4.527 -0.000 0.000 0.346 225 F C 1.811 177.649 175.800 0.063 0.000 1.128 225 F CA 0.356 58.459 58.000 0.172 0.000 1.268 225 F CB 0.768 39.852 39.000 0.140 0.000 1.161 225 F HN 0.496 nan 8.300 nan 0.000 0.583 226 E N 1.220 121.555 120.200 0.224 0.000 2.201 226 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 226 E C -0.210 176.424 176.600 0.058 0.000 0.957 226 E CA 0.578 57.039 56.400 0.102 0.000 0.858 226 E CB 0.355 30.085 29.700 0.050 0.000 0.816 226 E HN 0.803 nan 8.360 nan 0.000 0.475 227 E N -0.504 119.721 120.200 0.043 0.000 2.403 227 E HA 0.506 4.856 4.350 -0.000 0.000 0.280 227 E C -1.136 175.303 176.600 -0.267 0.000 1.101 227 E CA -0.523 55.787 56.400 -0.150 0.000 0.856 227 E CB 0.962 30.573 29.700 -0.148 0.000 1.303 227 E HN -0.134 nan 8.360 nan 0.000 0.441 228 I N 0.935 121.095 120.570 -0.685 0.000 2.686 228 I HA 0.547 4.717 4.170 -0.000 0.000 0.295 228 I C -0.979 174.604 176.117 -0.890 0.000 1.114 228 I CA -0.937 59.885 61.300 -0.796 0.000 1.038 228 I CB 2.287 39.581 38.000 -1.177 0.000 1.238 228 I HN 0.563 nan 8.210 nan 0.000 0.420 229 S N 4.074 119.483 115.700 -0.484 0.000 2.549 229 S HA 0.776 5.246 4.470 -0.000 0.000 0.280 229 S C -1.580 172.921 174.600 -0.164 0.000 1.109 229 S CA -0.433 57.555 58.200 -0.353 0.000 0.905 229 S CB 1.392 64.451 63.200 -0.235 0.000 1.081 229 S HN 0.472 nan 8.310 nan 0.000 0.477 230 Y N -0.041 120.172 120.300 -0.145 0.000 2.553 230 Y HA 0.835 5.385 4.550 -0.000 0.000 0.347 230 Y C -0.873 175.004 175.900 -0.039 0.000 1.019 230 Y CA -0.882 57.197 58.100 -0.034 0.000 1.032 230 Y CB 1.412 39.935 38.460 0.105 0.000 1.284 230 Y HN 0.421 nan 8.280 nan 0.000 0.466 231 T N 2.949 117.639 114.554 0.226 0.000 3.011 231 T HA 0.503 4.853 4.350 -0.000 0.000 0.303 231 T C -1.438 173.358 174.700 0.160 0.000 0.997 231 T CA -0.638 61.509 62.100 0.078 0.000 1.007 231 T CB 1.364 70.219 68.868 -0.022 0.000 1.017 231 T HN 0.625 nan 8.240 nan 0.000 0.443 232 V N 4.226 124.212 119.914 0.120 0.000 2.394 232 V HA 0.475 4.595 4.120 -0.000 0.000 0.282 232 V C -1.077 175.048 176.094 0.051 0.000 1.031 232 V CA -0.728 61.668 62.300 0.159 0.000 0.881 232 V CB 0.747 32.655 31.823 0.141 0.000 0.982 232 V HN 0.810 nan 8.190 nan 0.000 0.451 233 Y N 3.026 123.507 120.300 0.302 0.000 2.352 233 Y HA 0.499 5.049 4.550 -0.000 0.000 0.339 233 Y C 0.300 176.397 175.900 0.328 0.000 0.992 233 Y CA -0.344 57.929 58.100 0.289 0.000 1.100 233 Y CB 1.721 40.344 38.460 0.271 0.000 1.192 233 Y HN 0.553 nan 8.280 nan 0.000 0.458 234 Q N 2.118 122.181 119.800 0.438 0.000 2.290 234 Q HA 0.434 4.774 4.340 -0.000 0.000 0.259 234 Q C -0.929 175.220 176.000 0.248 0.000 0.941 234 Q CA -0.557 55.414 55.803 0.281 0.000 0.912 234 Q CB 1.341 30.286 28.738 0.344 0.000 1.244 234 Q HN 0.656 nan 8.270 nan 0.000 0.441 235 S N 4.255 119.998 115.700 0.071 0.000 2.429 235 S HA 0.618 5.088 4.470 -0.000 0.000 0.302 235 S C -1.376 173.282 174.600 0.096 0.000 1.115 235 S CA -0.360 57.905 58.200 0.108 0.000 1.095 235 S CB 0.201 63.576 63.200 0.292 0.000 0.987 235 S HN 0.564 nan 8.310 nan 0.000 0.474 236 Y N 2.133 122.420 120.300 -0.022 0.000 2.744 236 Y HA 0.724 5.274 4.550 -0.000 0.000 0.330 236 Y C -1.844 174.041 175.900 -0.024 0.000 1.263 236 Y CA -1.569 56.507 58.100 -0.040 0.000 1.065 236 Y CB 0.872 39.309 38.460 -0.038 0.000 1.306 236 Y HN 0.394 nan 8.280 nan 0.000 0.459 237 L N 2.312 123.632 121.223 0.162 0.000 2.313 237 L HA 0.481 4.821 4.340 -0.000 0.000 0.283 237 L C -1.015 175.965 176.870 0.183 0.000 1.013 237 L CA -0.570 54.304 54.840 0.057 0.000 0.816 237 L CB 1.482 43.548 42.059 0.013 0.000 1.236 237 L HN 0.667 nan 8.230 nan 0.000 0.419 238 D N 1.342 121.829 120.400 0.145 0.000 2.384 238 D HA 0.271 4.911 4.640 -0.000 0.000 0.250 238 D C -0.414 175.944 176.300 0.098 0.000 1.029 238 D CA -0.053 54.059 54.000 0.187 0.000 0.990 238 D CB 1.267 42.218 40.800 0.252 0.000 1.175 238 D HN 0.427 nan 8.370 nan 0.000 0.532 239 Q N 0.008 119.854 119.800 0.077 0.000 2.460 239 Q HA -0.184 4.156 4.340 -0.000 0.000 0.311 239 Q C -0.511 175.495 176.000 0.010 0.000 1.396 239 Q CA 0.117 55.952 55.803 0.055 0.000 0.838 239 Q CB -1.367 27.414 28.738 0.071 0.000 1.140 239 Q HN 0.409 nan 8.270 nan 0.000 0.415 240 L N 2.138 123.309 121.223 -0.086 0.000 2.499 240 L HA 0.169 4.509 4.340 -0.000 0.000 0.273 240 L C -1.146 175.689 176.870 -0.058 0.000 1.195 240 L CA -1.358 53.371 54.840 -0.184 0.000 0.882 240 L CB -0.291 41.429 42.059 -0.565 0.000 1.133 240 L HN 0.079 nan 8.230 nan 0.000 0.483 241 P HA 0.070 nan 4.420 nan 0.000 0.268 241 P C -0.763 176.637 177.300 0.166 0.000 1.204 241 P CA -0.094 63.050 63.100 0.073 0.000 0.768 241 P CB 1.175 32.903 31.700 0.048 0.000 0.842 242 V N 2.905 122.924 119.914 0.175 0.000 2.513 242 V HA 0.727 4.847 4.120 -0.000 0.000 0.299 242 V C 0.916 177.068 176.094 0.097 0.000 1.035 242 V CA -0.033 62.379 62.300 0.187 0.000 0.889 242 V CB 1.597 33.515 31.823 0.158 0.000 0.988 242 V HN 0.909 nan 8.190 nan 0.000 0.440 243 G N 2.143 110.988 108.800 0.075 0.000 3.247 243 G HA2 0.584 4.544 3.960 -0.000 0.000 0.199 243 G HA3 0.584 4.544 3.960 -0.000 0.000 0.199 243 G C -0.266 174.649 174.900 0.025 0.000 1.172 243 G CA 0.236 45.364 45.100 0.046 0.000 0.844 243 G HN 0.789 nan 8.290 nan 0.000 0.619 244 Q N -1.366 118.445 119.800 0.020 0.000 2.844 244 Q HA 0.529 4.869 4.340 -0.000 0.000 0.235 244 Q C 0.364 176.368 176.000 0.007 0.000 1.336 244 Q CA 0.755 56.564 55.803 0.010 0.000 1.026 244 Q CB -1.220 27.523 28.738 0.009 0.000 1.513 244 Q HN 2.265 nan 8.270 nan 0.000 0.577 245 N N -1.253 117.447 118.700 -0.000 0.000 3.400 245 N HA 0.440 5.180 4.740 -0.000 0.000 0.134 245 N C 1.237 176.736 175.510 -0.018 0.000 1.073 245 N CA 0.860 53.907 53.050 -0.005 0.000 2.788 245 N CB -1.294 37.198 38.487 0.007 0.000 1.172 245 N HN 2.131 nan 8.380 nan 0.000 0.820 246 G N -0.540 108.240 108.800 -0.034 0.000 2.484 246 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.225 246 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.225 246 G C -0.226 174.680 174.900 0.010 0.000 1.250 246 G CA -0.233 44.809 45.100 -0.097 0.000 0.926 246 G HN 1.252 nan 8.290 nan 0.000 0.581 247 Y N 0.347 120.658 120.300 0.017 0.000 2.712 247 Y HA 0.300 4.850 4.550 -0.000 0.000 0.333 247 Y C 1.518 177.428 175.900 0.017 0.000 1.225 247 Y CA -0.199 57.913 58.100 0.020 0.000 1.499 247 Y CB 0.308 38.782 38.460 0.023 0.000 1.288 247 Y HN 0.333 nan 8.280 nan 0.000 0.575 248 I N 6.136 126.824 120.570 0.196 0.000 2.308 248 I HA 0.128 4.298 4.170 -0.000 0.000 0.293 248 I C -0.607 175.556 176.117 0.077 0.000 1.078 248 I CA 0.249 61.610 61.300 0.102 0.000 1.292 248 I CB 0.004 38.046 38.000 0.071 0.000 1.423 248 I HN 0.340 nan 8.210 nan 0.000 0.493 249 L N 8.692 129.957 121.223 0.069 0.000 2.408 249 L HA 0.506 4.846 4.340 -0.000 0.000 0.268 249 L C -2.392 174.494 176.870 0.026 0.000 0.986 249 L CA -1.901 52.965 54.840 0.045 0.000 0.820 249 L CB 2.353 44.452 42.059 0.067 0.000 1.303 249 L HN 0.341 nan 8.230 nan 0.000 0.411 250 P HA 0.151 nan 4.420 nan 0.000 0.273 250 P C 0.701 177.999 177.300 -0.004 0.000 1.428 250 P CA -0.211 62.887 63.100 -0.003 0.000 0.995 250 P CB 0.673 32.364 31.700 -0.015 0.000 1.286 251 L N 2.775 123.998 121.223 0.001 0.000 2.079 251 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 251 L C 2.420 179.282 176.870 -0.014 0.000 1.081 251 L CA 1.421 56.262 54.840 0.002 0.000 0.752 251 L CB -0.552 41.511 42.059 0.007 0.000 0.896 251 L HN 0.270 nan 8.230 nan 0.000 0.433 252 I N -0.474 120.077 120.570 -0.032 0.000 2.233 252 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 252 I C 2.111 178.180 176.117 -0.080 0.000 1.093 252 I CA 1.026 62.292 61.300 -0.057 0.000 1.380 252 I CB -0.430 37.526 38.000 -0.073 0.000 1.067 252 I HN 0.207 nan 8.210 nan 0.000 0.413 253 D N 1.308 121.661 120.400 -0.079 0.000 2.106 253 D HA -0.178 4.462 4.640 -0.000 0.000 0.191 253 D C 2.165 178.436 176.300 -0.048 0.000 0.997 253 D CA 1.479 55.425 54.000 -0.091 0.000 0.834 253 D CB -0.395 40.368 40.800 -0.060 0.000 0.956 253 D HN 0.270 nan 8.370 nan 0.000 0.448 254 L N 0.309 121.525 121.223 -0.012 0.000 2.551 254 L HA -0.014 4.326 4.340 -0.000 0.000 0.228 254 L C 1.527 178.418 176.870 0.035 0.000 1.153 254 L CA 0.713 55.568 54.840 0.025 0.000 0.851 254 L CB -0.240 41.840 42.059 0.034 0.000 0.959 254 L HN 0.031 nan 8.230 nan 0.000 0.451 255 S N -3.259 112.444 115.700 0.005 0.000 2.650 255 S HA 0.179 4.649 4.470 -0.000 0.000 0.240 255 S C 0.504 175.094 174.600 -0.017 0.000 1.007 255 S CA -0.558 57.647 58.200 0.007 0.000 0.984 255 S CB 0.178 63.381 63.200 0.004 0.000 0.910 255 S HN 0.086 nan 8.310 nan 0.000 0.509 256 T N 2.822 117.353 114.554 -0.039 0.000 2.855 256 T HA 0.598 4.948 4.350 -0.000 0.000 0.281 256 T C -0.569 174.109 174.700 -0.035 0.000 1.007 256 T CA -0.594 61.462 62.100 -0.073 0.000 1.009 256 T CB 1.326 70.078 68.868 -0.195 0.000 0.983 256 T HN 0.254 nan 8.240 nan 0.000 0.455 257 L N 3.029 124.230 121.223 -0.037 0.000 2.295 257 L HA 0.489 4.829 4.340 -0.000 0.000 0.285 257 L C -0.997 175.943 176.870 0.116 0.000 1.035 257 L CA -1.123 53.672 54.840 -0.075 0.000 0.806 257 L CB 0.825 42.731 42.059 -0.256 0.000 1.214 257 L HN 0.625 nan 8.230 nan 0.000 0.426 258 Y N 4.261 124.598 120.300 0.063 0.000 2.402 258 Y HA 0.484 5.034 4.550 -0.000 0.000 0.332 258 Y C -0.877 174.968 175.900 -0.092 0.000 0.960 258 Y CA -1.154 57.042 58.100 0.160 0.000 1.228 258 Y CB 0.618 39.306 38.460 0.379 0.000 1.120 258 Y HN 0.529 nan 8.280 nan 0.000 0.491 259 N N 5.058 123.322 118.700 -0.725 0.000 2.312 259 N HA 0.553 5.293 4.740 -0.000 0.000 0.296 259 N C -1.896 173.106 175.510 -0.848 0.000 1.193 259 N CA -0.627 51.925 53.050 -0.830 0.000 0.773 259 N CB 2.305 40.302 38.487 -0.817 0.000 1.435 259 N HN 0.486 nan 8.380 nan 0.000 0.484 260 L N 0.726 121.653 121.223 -0.495 0.000 2.365 260 L HA 0.521 4.861 4.340 -0.000 0.000 0.273 260 L C 0.020 176.876 176.870 -0.024 0.000 1.000 260 L CA -0.213 54.507 54.840 -0.201 0.000 0.819 260 L CB 1.452 43.357 42.059 -0.257 0.000 1.284 260 L HN 0.478 nan 8.230 nan 0.000 0.418 261 E N 2.073 122.397 120.200 0.207 0.000 2.412 261 E HA 0.476 4.826 4.350 -0.000 0.000 0.279 261 E C -1.538 175.153 176.600 0.152 0.000 0.984 261 E CA -0.915 55.602 56.400 0.195 0.000 0.788 261 E CB 2.972 32.854 29.700 0.303 0.000 1.277 261 E HN 0.644 nan 8.360 nan 0.000 0.455 262 N N -0.134 118.592 118.700 0.043 0.000 2.455 262 N HA 0.534 5.274 4.740 -0.000 0.000 0.278 262 N C -1.267 174.273 175.510 0.049 0.000 1.291 262 N CA -0.575 52.431 53.050 -0.073 0.000 0.780 262 N CB 2.111 40.431 38.487 -0.278 0.000 1.520 262 N HN 0.490 nan 8.380 nan 0.000 0.486 263 S N -1.261 114.478 115.700 0.064 0.000 2.656 263 S HA 0.862 5.332 4.470 -0.000 0.000 0.273 263 S C -1.495 173.175 174.600 0.117 0.000 1.168 263 S CA -0.960 57.306 58.200 0.111 0.000 0.817 263 S CB 1.237 64.527 63.200 0.150 0.000 1.146 263 S HN 1.035 nan 8.310 nan 0.000 0.475 264 A N 0.949 123.843 122.820 0.124 0.000 2.355 264 A HA 0.810 5.130 4.320 -0.000 0.000 0.317 264 A C -1.025 176.638 177.584 0.132 0.000 1.094 264 A CA -0.677 51.440 52.037 0.132 0.000 0.764 264 A CB 1.254 20.334 19.000 0.132 0.000 1.230 264 A HN 0.614 nan 8.150 nan 0.000 0.448 265 Q N 0.384 120.281 119.800 0.161 0.000 2.353 265 Q HA 0.736 5.076 4.340 -0.000 0.000 0.268 265 Q C -0.556 175.593 176.000 0.248 0.000 1.045 265 Q CA -0.438 55.505 55.803 0.233 0.000 0.811 265 Q CB 2.218 31.145 28.738 0.315 0.000 1.305 265 Q HN 0.978 nan 8.270 nan 0.000 0.447 266 A N -0.283 122.693 122.820 0.259 0.000 2.435 266 A HA 0.911 5.231 4.320 -0.000 0.000 0.296 266 A C 0.305 178.033 177.584 0.241 0.000 1.147 266 A CA -0.168 51.941 52.037 0.120 0.000 0.775 266 A CB 1.543 20.582 19.000 0.065 0.000 1.340 266 A HN 0.975 nan 8.150 nan 0.000 0.427 267 G N -0.856 107.978 108.800 0.056 0.000 2.157 267 G HA2 0.023 3.983 3.960 -0.000 0.000 0.118 267 G HA3 0.023 3.983 3.960 -0.000 0.000 0.118 267 G C -0.461 174.483 174.900 0.073 0.000 1.032 267 G CA -0.126 45.079 45.100 0.174 0.000 0.697 267 G HN 0.742 nan 8.290 nan 0.000 0.495 268 L N 1.972 122.998 121.223 -0.329 0.000 2.371 268 L HA 0.736 5.076 4.340 -0.000 0.000 0.272 268 L C 0.899 177.687 176.870 -0.137 0.000 1.124 268 L CA 0.460 55.066 54.840 -0.390 0.000 0.816 268 L CB 1.620 43.292 42.059 -0.645 0.000 1.129 268 L HN 0.403 nan 8.230 nan 0.000 0.448 269 T N 0.375 114.882 114.554 -0.078 0.000 2.933 269 T HA 0.537 4.887 4.350 -0.000 0.000 0.305 269 T C -2.831 171.838 174.700 -0.052 0.000 1.092 269 T CA -2.336 59.739 62.100 -0.043 0.000 1.008 269 T CB 1.803 70.665 68.868 -0.010 0.000 1.102 269 T HN 0.140 nan 8.240 nan 0.000 0.469 270 P HA 0.126 nan 4.420 nan 0.000 0.261 270 P C 0.218 177.487 177.300 -0.051 0.000 1.173 270 P CA 0.737 63.809 63.100 -0.046 0.000 0.760 270 P CB -0.170 31.512 31.700 -0.029 0.000 0.783 271 N N -1.131 117.524 118.700 -0.076 0.000 2.778 271 N HA -0.154 4.586 4.740 -0.000 0.000 0.249 271 N C -0.686 174.786 175.510 -0.063 0.000 1.069 271 N CA 0.297 53.303 53.050 -0.074 0.000 0.831 271 N CB -1.405 37.061 38.487 -0.035 0.000 1.142 271 N HN 0.130 nan 8.380 nan 0.000 0.573 272 V N 0.629 120.503 119.914 -0.066 0.000 2.513 272 V HA 0.259 4.379 4.120 -0.000 0.000 0.299 272 V C 0.017 176.083 176.094 -0.047 0.000 1.035 272 V CA -0.713 61.567 62.300 -0.034 0.000 0.889 272 V CB 1.797 33.617 31.823 -0.003 0.000 0.988 272 V HN 0.016 nan 8.190 nan 0.000 0.440 273 D N 3.241 123.627 120.400 -0.024 0.000 2.382 273 D HA 0.142 4.782 4.640 -0.000 0.000 0.259 273 D C -0.549 175.767 176.300 0.026 0.000 1.224 273 D CA 0.407 54.393 54.000 -0.024 0.000 0.894 273 D CB 0.420 41.230 40.800 0.017 0.000 1.127 273 D HN 0.350 nan 8.370 nan 0.000 0.487 274 F N 3.667 123.527 119.950 -0.151 0.000 2.391 274 F HA 0.305 4.832 4.527 0.000 0.000 0.359 274 F C -0.621 175.122 175.800 -0.096 0.000 1.122 274 F CA -0.744 57.180 58.000 -0.126 0.000 1.120 274 F CB 0.724 39.619 39.000 -0.174 0.000 1.142 274 F HN -0.004 nan 8.300 nan 0.000 0.483 275 V N 7.068 126.724 119.914 -0.429 0.000 2.384 275 V HA 0.363 4.483 4.120 -0.000 0.000 0.287 275 V C -0.579 175.272 176.094 -0.405 0.000 1.020 275 V CA -0.875 61.244 62.300 -0.302 0.000 0.850 275 V CB 1.451 33.167 31.823 -0.178 0.000 0.987 275 V HN 0.483 nan 8.190 nan 0.000 0.436 276 V N 5.304 125.078 119.914 -0.233 0.000 2.311 276 V HA 0.308 4.428 4.120 -0.000 0.000 0.275 276 V C 0.195 176.171 176.094 -0.197 0.000 1.022 276 V CA -0.699 61.476 62.300 -0.208 0.000 0.830 276 V CB 1.103 32.875 31.823 -0.086 0.000 1.012 276 V HN 0.805 nan 8.190 nan 0.000 0.452 277 Q N 2.865 122.558 119.800 -0.178 0.000 2.364 277 Q HA 0.211 4.551 4.340 -0.000 0.000 0.267 277 Q C -0.681 175.180 176.000 -0.231 0.000 0.999 277 Q CA 0.117 55.838 55.803 -0.136 0.000 0.886 277 Q CB 0.871 29.556 28.738 -0.088 0.000 1.243 277 Q HN 0.623 nan 8.270 nan 0.000 0.415 278 Y N -0.033 120.163 120.300 -0.174 0.000 2.402 278 Y HA 0.131 4.681 4.550 0.000 0.000 0.333 278 Y C 0.935 176.705 175.900 -0.217 0.000 1.076 278 Y CA -0.235 57.634 58.100 -0.385 0.000 1.299 278 Y CB 0.781 38.935 38.460 -0.509 0.000 1.197 278 Y HN 0.673 nan 8.280 nan 0.000 0.517 279 A N 3.829 126.601 122.820 -0.079 0.000 2.900 279 A HA 0.227 4.547 4.320 -0.000 0.000 0.246 279 A C 1.130 178.619 177.584 -0.158 0.000 1.725 279 A CA 0.547 52.519 52.037 -0.107 0.000 1.400 279 A CB -2.169 16.719 19.000 -0.186 0.000 0.973 279 A HN 1.123 nan 8.150 nan 0.000 0.635 280 N N -1.012 117.674 118.700 -0.024 0.000 3.699 280 N HA -0.058 4.682 4.740 -0.000 0.000 0.355 280 N C 0.850 176.270 175.510 -0.150 0.000 1.094 280 N CA 1.119 54.136 53.050 -0.054 0.000 2.627 280 N CB -0.567 37.861 38.487 -0.098 0.000 0.583 280 N HN 1.383 nan 8.380 nan 0.000 0.831 281 L N -2.822 118.366 121.223 -0.059 0.000 3.898 281 L HA -0.209 4.131 4.340 -0.000 0.000 0.382 281 L C 0.874 177.943 176.870 0.332 0.000 0.711 281 L CA 2.131 57.020 54.840 0.083 0.000 2.828 281 L CB -2.112 39.934 42.059 -0.022 0.000 0.852 281 L HN 0.916 nan 8.230 nan 0.000 0.694 282 Y N 0.106 120.411 120.300 0.009 0.000 2.326 282 Y HA 0.359 4.909 4.550 -0.000 0.000 0.333 282 Y C 1.018 176.895 175.900 -0.039 0.000 1.240 282 Y CA -0.801 57.152 58.100 -0.245 0.000 1.365 282 Y CB 0.420 38.235 38.460 -1.074 0.000 1.289 282 Y HN -0.029 nan 8.280 nan 0.000 0.548 283 R N 2.495 123.065 120.500 0.118 0.000 2.278 283 R HA 0.212 4.552 4.340 -0.000 0.000 0.322 283 R C -1.803 174.553 176.300 0.094 0.000 1.058 283 R CA -0.495 55.677 56.100 0.121 0.000 0.991 283 R CB 0.117 30.426 30.300 0.015 0.000 1.140 283 R HN 0.482 nan 8.270 nan 0.000 0.518 284 Y N 3.264 123.683 120.300 0.198 0.000 2.531 284 Y HA 0.025 4.575 4.550 -0.000 0.000 0.347 284 Y C 1.324 177.300 175.900 0.127 0.000 1.024 284 Y CA -0.229 58.003 58.100 0.221 0.000 1.306 284 Y CB 0.473 39.078 38.460 0.241 0.000 1.149 284 Y HN 0.483 nan 8.280 nan 0.000 0.527 285 L N 1.905 123.252 121.223 0.207 0.000 2.162 285 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 285 L C 0.796 177.786 176.870 0.199 0.000 1.086 285 L CA 0.679 55.580 54.840 0.102 0.000 0.778 285 L CB -0.131 41.897 42.059 -0.051 0.000 0.928 285 L HN 0.625 nan 8.230 nan 0.000 0.446 286 S N -2.047 113.835 115.700 0.304 0.000 2.570 286 S HA 0.596 5.066 4.470 -0.000 0.000 0.270 286 S C -0.626 174.188 174.600 0.357 0.000 1.149 286 S CA -0.699 57.656 58.200 0.259 0.000 0.837 286 S CB 2.344 65.741 63.200 0.328 0.000 1.124 286 S HN -0.074 nan 8.310 nan 0.000 0.465 287 T N 1.988 116.668 114.554 0.210 0.000 2.921 287 T HA 0.595 4.945 4.350 -0.000 0.000 0.297 287 T C -0.928 173.765 174.700 -0.011 0.000 1.013 287 T CA -0.419 61.756 62.100 0.125 0.000 0.990 287 T CB 0.866 69.836 68.868 0.170 0.000 1.023 287 T HN 0.660 nan 8.240 nan 0.000 0.447 288 I N 2.333 122.838 120.570 -0.108 0.000 2.465 288 I HA 0.701 4.871 4.170 -0.000 0.000 0.291 288 I C -0.277 175.710 176.117 -0.217 0.000 1.014 288 I CA -1.009 60.264 61.300 -0.045 0.000 1.093 288 I CB 1.720 39.791 38.000 0.119 0.000 1.267 288 I HN 0.717 nan 8.210 nan 0.000 0.431 289 A N 6.497 129.230 122.820 -0.144 0.000 2.335 289 A HA 0.736 5.056 4.320 -0.000 0.000 0.304 289 A C -1.003 176.657 177.584 0.127 0.000 1.118 289 A CA -0.471 51.497 52.037 -0.116 0.000 0.757 289 A CB 1.289 20.140 19.000 -0.249 0.000 1.188 289 A HN 0.405 nan 8.150 nan 0.000 0.460 290 V N 3.445 123.448 119.914 0.149 0.000 2.347 290 V HA 0.292 4.412 4.120 -0.000 0.000 0.280 290 V C -0.621 175.648 176.094 0.292 0.000 1.021 290 V CA -0.399 62.030 62.300 0.215 0.000 0.847 290 V CB 1.128 33.034 31.823 0.139 0.000 0.990 290 V HN 0.779 nan 8.190 nan 0.000 0.444 291 F N 5.328 125.360 119.950 0.136 0.000 2.515 291 F HA 0.355 4.882 4.527 0.000 0.000 0.353 291 F C 0.469 176.136 175.800 -0.221 0.000 1.213 291 F CA -1.755 56.244 58.000 -0.001 0.000 1.194 291 F CB 0.133 39.166 39.000 0.054 0.000 1.488 291 F HN 0.605 nan 8.300 nan 0.000 0.619 292 D N 4.167 124.536 120.400 -0.051 0.000 2.435 292 D HA -0.025 4.615 4.640 -0.000 0.000 0.230 292 D C -0.095 175.882 176.300 -0.539 0.000 1.215 292 D CA 0.056 53.697 54.000 -0.600 0.000 0.947 292 D CB -0.311 40.371 40.800 -0.196 0.000 1.048 292 D HN 0.253 nan 8.370 nan 0.000 0.512 293 N N 2.827 120.973 118.700 -0.924 0.000 3.050 293 N HA 0.204 4.944 4.740 -0.000 0.000 0.289 293 N C 0.793 176.016 175.510 -0.478 0.000 1.209 293 N CA 0.459 53.026 53.050 -0.806 0.000 1.154 293 N CB -0.446 37.351 38.487 -1.149 0.000 1.444 293 N HN 0.613 nan 8.380 nan 0.000 0.529 294 G N 0.917 109.529 108.800 -0.313 0.000 2.273 294 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.280 294 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.280 294 G C 0.957 175.734 174.900 -0.204 0.000 1.047 294 G CA 0.525 45.504 45.100 -0.202 0.000 0.869 294 G HN 1.119 nan 8.290 nan 0.000 0.502 295 G N -2.404 106.229 108.800 -0.278 0.000 2.195 295 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.246 295 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.246 295 G C 0.432 175.217 174.900 -0.192 0.000 0.984 295 G CA 0.652 45.662 45.100 -0.150 0.000 0.633 295 G HN 1.726 nan 8.290 nan 0.000 0.525 296 S N 0.149 115.605 115.700 -0.407 0.000 2.489 296 S HA 0.765 5.235 4.470 -0.000 0.000 0.291 296 S C -0.817 173.401 174.600 -0.637 0.000 1.151 296 S CA -0.322 57.683 58.200 -0.325 0.000 1.082 296 S CB 0.872 63.910 63.200 -0.270 0.000 1.019 296 S HN 0.305 nan 8.310 nan 0.000 0.492 297 F N 2.971 122.813 119.950 -0.181 0.000 2.445 297 F HA 0.437 4.964 4.527 -0.000 0.000 0.348 297 F C 0.458 176.191 175.800 -0.111 0.000 1.125 297 F CA -0.858 57.043 58.000 -0.164 0.000 0.983 297 F CB 1.139 40.045 39.000 -0.156 0.000 1.198 297 F HN 0.385 nan 8.300 nan 0.000 0.436 298 N N 1.461 120.152 118.700 -0.014 0.000 2.417 298 N HA 0.492 5.232 4.740 -0.000 0.000 0.300 298 N C -0.430 175.141 175.510 0.103 0.000 1.102 298 N CA -0.677 52.385 53.050 0.021 0.000 0.886 298 N CB 2.219 40.679 38.487 -0.045 0.000 1.203 298 N HN 0.568 nan 8.380 nan 0.000 0.496 299 A N 0.662 123.541 122.820 0.099 0.000 3.063 299 A HA 0.457 4.777 4.320 -0.000 0.000 0.263 299 A C 1.358 179.050 177.584 0.180 0.000 1.736 299 A CA 0.326 52.443 52.037 0.132 0.000 1.408 299 A CB -1.423 17.635 19.000 0.097 0.000 1.108 299 A HN 0.911 nan 8.150 nan 0.000 0.621 300 G N 1.099 110.067 108.800 0.280 0.000 2.302 300 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.263 300 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.263 300 G C 1.355 176.335 174.900 0.133 0.000 0.995 300 G CA 1.573 46.827 45.100 0.256 0.000 0.622 300 G HN 1.577 nan 8.290 nan 0.000 0.538 301 T N -0.699 113.915 114.554 0.100 0.000 3.025 301 T HA 0.043 4.393 4.350 -0.000 0.000 0.270 301 T C 1.486 176.210 174.700 0.040 0.000 1.126 301 T CA 1.869 64.003 62.100 0.057 0.000 1.105 301 T CB -0.231 68.660 68.868 0.039 0.000 0.884 301 T HN 0.620 nan 8.240 nan 0.000 0.522 302 D N 0.311 120.745 120.400 0.056 0.000 2.368 302 D HA 0.250 4.890 4.640 -0.000 0.000 0.218 302 D C 0.172 176.546 176.300 0.123 0.000 1.112 302 D CA -0.497 53.542 54.000 0.065 0.000 0.834 302 D CB -0.283 40.515 40.800 -0.003 0.000 0.953 302 D HN 0.482 nan 8.370 nan 0.000 0.505 303 I N 0.476 121.075 120.570 0.050 0.000 2.545 303 I HA 0.222 4.392 4.170 -0.000 0.000 0.292 303 I C 0.602 176.661 176.117 -0.097 0.000 1.040 303 I CA -0.863 60.397 61.300 -0.067 0.000 1.068 303 I CB 2.145 40.047 38.000 -0.162 0.000 1.251 303 I HN -0.270 nan 8.210 nan 0.000 0.424 304 N N 3.835 122.426 118.700 -0.182 0.000 2.220 304 N HA 0.011 4.751 4.740 -0.000 0.000 0.182 304 N C -0.574 174.925 175.510 -0.018 0.000 1.023 304 N CA 1.352 54.333 53.050 -0.114 0.000 0.856 304 N CB 0.278 38.650 38.487 -0.193 0.000 0.997 304 N HN 0.627 nan 8.380 nan 0.000 0.429 305 Y N -1.862 118.361 120.300 -0.129 0.000 2.713 305 Y HA 0.642 5.192 4.550 -0.000 0.000 0.335 305 Y C -1.772 173.956 175.900 -0.285 0.000 1.222 305 Y CA -1.462 56.546 58.100 -0.153 0.000 1.061 305 Y CB 0.485 38.894 38.460 -0.085 0.000 1.314 305 Y HN -0.281 nan 8.280 nan 0.000 0.453 306 L N 1.603 122.777 121.223 -0.081 0.000 2.333 306 L HA 0.927 5.267 4.340 -0.000 0.000 0.263 306 L C -0.143 176.610 176.870 -0.195 0.000 1.014 306 L CA -0.546 54.007 54.840 -0.478 0.000 0.820 306 L CB 2.219 43.498 42.059 -1.298 0.000 1.352 306 L HN 0.897 nan 8.230 nan 0.000 0.421 307 S N -0.157 115.327 115.700 -0.360 0.000 2.636 307 S HA 0.547 5.017 4.470 -0.000 0.000 0.266 307 S C -2.094 172.389 174.600 -0.195 0.000 1.147 307 S CA -0.635 57.532 58.200 -0.054 0.000 0.815 307 S CB 1.533 64.725 63.200 -0.014 0.000 1.119 307 S HN 0.576 nan 8.310 nan 0.000 0.470 308 Q N 1.245 121.043 119.800 -0.004 0.000 2.330 308 Q HA 0.543 4.883 4.340 -0.000 0.000 0.269 308 Q C -0.946 175.053 176.000 -0.003 0.000 1.022 308 Q CA -0.584 55.242 55.803 0.038 0.000 0.796 308 Q CB 2.252 31.062 28.738 0.120 0.000 1.271 308 Q HN 0.551 nan 8.270 nan 0.000 0.450 309 R N 1.104 121.607 120.500 0.004 0.000 2.686 309 R HA 0.555 4.895 4.340 -0.000 0.000 0.283 309 R C -0.849 175.436 176.300 -0.024 0.000 0.978 309 R CA -0.227 55.858 56.100 -0.025 0.000 0.897 309 R CB 1.703 31.989 30.300 -0.024 0.000 1.192 309 R HN 0.743 nan 8.270 nan 0.000 0.457 310 T N 0.049 114.569 114.554 -0.058 0.000 2.948 310 T HA 0.581 4.931 4.350 -0.000 0.000 0.285 310 T C 0.221 174.906 174.700 -0.024 0.000 1.019 310 T CA -0.751 61.316 62.100 -0.055 0.000 1.013 310 T CB 1.569 70.365 68.868 -0.121 0.000 1.117 310 T HN 0.646 nan 8.240 nan 0.000 0.533 311 A N 0.913 123.732 122.820 -0.003 0.000 2.535 311 A HA 0.510 4.830 4.320 -0.000 0.000 0.290 311 A C 1.315 178.895 177.584 -0.007 0.000 1.270 311 A CA 0.419 52.456 52.037 -0.001 0.000 0.937 311 A CB -2.207 16.799 19.000 0.010 0.000 1.096 311 A HN 1.976 nan 8.150 nan 0.000 0.534 312 N N 0.008 118.699 118.700 -0.015 0.000 2.542 312 N HA 0.378 5.118 4.740 -0.000 0.000 0.218 312 N C 1.125 176.621 175.510 -0.023 0.000 1.607 312 N CA 0.808 53.848 53.050 -0.017 0.000 3.190 312 N CB -1.913 36.563 38.487 -0.018 0.000 1.504 312 N HN 2.273 nan 8.380 nan 0.000 1.106 313 F N -0.293 119.643 119.950 -0.024 0.000 3.048 313 F HA -0.097 4.430 4.527 -0.000 0.000 0.287 313 F C 1.019 176.797 175.800 -0.037 0.000 0.796 313 F CA 1.776 59.760 58.000 -0.027 0.000 1.111 313 F CB -2.196 36.790 39.000 -0.023 0.000 1.320 313 F HN 1.532 nan 8.300 nan 0.000 0.430 314 S N 1.421 117.096 115.700 -0.041 0.000 2.439 314 S HA 0.457 4.927 4.470 -0.000 0.000 0.282 314 S C -0.303 174.260 174.600 -0.061 0.000 1.170 314 S CA -0.000 58.169 58.200 -0.050 0.000 1.054 314 S CB 0.303 63.474 63.200 -0.049 0.000 0.956 314 S HN 0.486 nan 8.310 nan 0.000 0.490 315 D N 3.408 123.770 120.400 -0.064 0.000 2.264 315 D HA 0.148 4.788 4.640 -0.000 0.000 0.250 315 D C 1.124 177.386 176.300 -0.063 0.000 1.113 315 D CA -0.008 53.952 54.000 -0.065 0.000 0.871 315 D CB 1.752 42.502 40.800 -0.083 0.000 1.167 315 D HN 0.713 nan 8.370 nan 0.000 0.447 316 T N -0.458 114.060 114.554 -0.060 0.000 3.065 316 T HA 0.005 4.355 4.350 -0.000 0.000 0.252 316 T C 0.976 175.650 174.700 -0.044 0.000 1.099 316 T CA -0.126 61.937 62.100 -0.061 0.000 1.063 316 T CB 0.171 68.988 68.868 -0.083 0.000 0.948 316 T HN 0.591 nan 8.240 nan 0.000 0.506 317 R N 0.278 120.767 120.500 -0.019 0.000 2.714 317 R HA 0.310 4.650 4.340 -0.000 0.000 0.214 317 R C -0.869 175.480 176.300 0.082 0.000 1.474 317 R CA -0.648 55.455 56.100 0.004 0.000 1.435 317 R CB -0.315 29.961 30.300 -0.041 0.000 1.517 317 R HN 0.085 nan 8.270 nan 0.000 0.748 318 K N 2.987 123.393 120.400 0.010 0.000 2.292 318 K HA 0.280 4.600 4.320 -0.000 0.000 0.290 318 K C -0.947 175.662 176.600 0.015 0.000 1.083 318 K CA -0.169 56.100 56.287 -0.030 0.000 0.918 318 K CB 0.433 32.808 32.500 -0.209 0.000 1.089 318 K HN 0.447 nan 8.250 nan 0.000 0.473 319 L N 3.378 124.703 121.223 0.170 0.000 2.370 319 L HA 0.355 4.695 4.340 -0.000 0.000 0.266 319 L C -0.291 176.712 176.870 0.223 0.000 1.002 319 L CA -1.384 53.578 54.840 0.204 0.000 0.818 319 L CB 1.927 44.169 42.059 0.305 0.000 1.325 319 L HN 0.716 nan 8.230 nan 0.000 0.418 320 D N 0.698 121.201 120.400 0.171 0.000 2.368 320 D HA 0.128 4.768 4.640 -0.000 0.000 0.240 320 D C -2.097 174.311 176.300 0.181 0.000 1.169 320 D CA -1.146 52.947 54.000 0.155 0.000 0.906 320 D CB 0.625 41.496 40.800 0.118 0.000 1.187 320 D HN 0.208 nan 8.370 nan 0.000 0.435 321 P HA -0.197 nan 4.420 nan 0.000 0.216 321 P C 1.006 178.469 177.300 0.271 0.000 1.153 321 P CA 1.501 64.696 63.100 0.159 0.000 0.858 321 P CB 0.112 31.869 31.700 0.095 0.000 0.789 322 K N -1.213 119.310 120.400 0.204 0.000 2.097 322 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 322 K C 1.914 178.634 176.600 0.199 0.000 1.050 322 K CA 1.539 57.942 56.287 0.193 0.000 0.938 322 K CB -0.625 31.955 32.500 0.134 0.000 0.718 322 K HN 0.164 nan 8.250 nan 0.000 0.442 323 T N 0.472 115.141 114.554 0.192 0.000 2.904 323 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 323 T C 1.183 176.006 174.700 0.204 0.000 1.059 323 T CA 0.598 62.794 62.100 0.160 0.000 1.137 323 T CB -0.132 68.811 68.868 0.126 0.000 0.879 323 T HN 0.427 nan 8.240 nan 0.000 0.467 324 W N 2.276 123.642 121.300 0.109 0.000 2.355 324 W HA -0.089 4.571 4.660 -0.000 0.000 0.309 324 W C 2.466 179.102 176.519 0.196 0.000 1.206 324 W CA 1.293 58.724 57.345 0.143 0.000 1.284 324 W CB -0.637 28.912 29.460 0.148 0.000 1.145 324 W HN 0.292 nan 8.180 nan 0.000 0.502 325 A N 0.944 124.058 122.820 0.490 0.000 1.933 325 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 325 A C 2.199 179.905 177.584 0.203 0.000 1.175 325 A CA 2.684 54.946 52.037 0.376 0.000 0.628 325 A CB -1.254 17.940 19.000 0.323 0.000 0.814 325 A HN 0.305 nan 8.150 nan 0.000 0.444 326 A N -0.824 122.087 122.820 0.150 0.000 1.908 326 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 326 A C 2.094 179.708 177.584 0.050 0.000 1.181 326 A CA 1.743 53.831 52.037 0.085 0.000 0.627 326 A CB -0.486 18.556 19.000 0.069 0.000 0.818 326 A HN 0.514 nan 8.150 nan 0.000 0.445 327 Q N -0.534 119.271 119.800 0.008 0.000 2.124 327 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 327 Q C 2.114 178.130 176.000 0.026 0.000 0.977 327 Q CA 1.987 57.765 55.803 -0.041 0.000 0.850 327 Q CB -1.223 27.402 28.738 -0.189 0.000 0.901 327 Q HN 0.646 nan 8.270 nan 0.000 0.429 328 T N 1.045 115.654 114.554 0.092 0.000 2.821 328 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 328 T C 1.809 176.572 174.700 0.105 0.000 1.046 328 T CA 0.714 62.941 62.100 0.212 0.000 1.139 328 T CB -0.035 69.058 68.868 0.376 0.000 0.871 328 T HN 0.258 nan 8.240 nan 0.000 0.454 329 R N 0.702 121.244 120.500 0.070 0.000 2.152 329 R HA 0.038 4.378 4.340 -0.000 0.000 0.232 329 R C 2.441 178.746 176.300 0.009 0.000 1.117 329 R CA 0.747 56.858 56.100 0.019 0.000 0.981 329 R CB -0.048 30.268 30.300 0.027 0.000 0.870 329 R HN 0.210 nan 8.270 nan 0.000 0.451 330 R N 0.134 120.650 120.500 0.026 0.000 2.189 330 R HA 0.022 4.362 4.340 -0.000 0.000 0.218 330 R C 1.887 178.203 176.300 0.026 0.000 1.074 330 R CA 0.712 56.824 56.100 0.019 0.000 0.991 330 R CB 0.027 30.338 30.300 0.020 0.000 0.883 330 R HN 0.163 nan 8.270 nan 0.000 0.457 331 R N 0.507 121.037 120.500 0.050 0.000 2.105 331 R HA 0.139 4.479 4.340 -0.000 0.000 0.214 331 R C 2.052 178.345 176.300 -0.012 0.000 1.091 331 R CA 0.839 56.979 56.100 0.066 0.000 1.007 331 R CB -0.037 30.381 30.300 0.197 0.000 0.912 331 R HN 0.311 nan 8.270 nan 0.000 0.450 332 I N -3.765 116.756 120.570 -0.081 0.000 4.050 332 I HA 0.472 4.642 4.170 -0.000 0.000 0.327 332 I C 0.488 176.515 176.117 -0.150 0.000 1.473 332 I CA 0.106 61.302 61.300 -0.172 0.000 1.124 332 I CB 0.837 38.602 38.000 -0.392 0.000 1.129 332 I HN -0.025 nan 8.210 nan 0.000 0.428 333 A N 0.245 123.009 122.820 -0.092 0.000 2.861 333 A HA -0.222 4.098 4.320 -0.000 0.000 0.261 333 A C 0.652 178.189 177.584 -0.079 0.000 1.351 333 A CA 1.708 53.702 52.037 -0.070 0.000 0.904 333 A CB -2.288 16.674 19.000 -0.064 0.000 1.076 333 A HN 0.803 nan 8.150 nan 0.000 0.729 334 T N -1.890 112.598 114.554 -0.110 0.000 2.654 334 T HA 0.498 4.848 4.350 -0.000 0.000 0.303 334 T C -2.133 172.488 174.700 -0.132 0.000 1.656 334 T CA 0.136 62.175 62.100 -0.102 0.000 0.971 334 T CB 0.939 69.739 68.868 -0.114 0.000 1.811 334 T HN 0.285 nan 8.240 nan 0.000 0.483 335 D N 0.557 120.899 120.400 -0.096 0.000 2.217 335 D HA 0.515 5.155 4.640 -0.000 0.000 0.248 335 D C -0.291 175.922 176.300 -0.145 0.000 1.008 335 D CA -0.131 53.832 54.000 -0.061 0.000 0.914 335 D CB 0.826 41.644 40.800 0.030 0.000 1.182 335 D HN 0.338 nan 8.370 nan 0.000 0.451 336 F N 0.577 120.469 119.950 -0.096 0.000 2.399 336 F HA 0.218 4.745 4.527 -0.000 0.000 0.313 336 F C -1.338 174.367 175.800 -0.158 0.000 1.202 336 F CA -1.257 56.610 58.000 -0.222 0.000 1.192 336 F CB 0.057 38.819 39.000 -0.396 0.000 1.256 336 F HN 0.061 nan 8.300 nan 0.000 0.558 337 P HA -0.010 nan 4.420 nan 0.000 0.270 337 P C -1.156 176.180 177.300 0.061 0.000 1.227 337 P CA -0.257 62.913 63.100 0.118 0.000 0.788 337 P CB 0.333 32.203 31.700 0.282 0.000 0.926 338 K N 1.175 121.617 120.400 0.070 0.000 2.530 338 K HA 0.106 4.426 4.320 -0.000 0.000 0.280 338 K C 1.299 177.960 176.600 0.102 0.000 1.004 338 K CA 1.288 57.616 56.287 0.069 0.000 1.071 338 K CB -0.765 31.793 32.500 0.097 0.000 0.876 338 K HN 0.861 nan 8.250 nan 0.000 0.487 339 G N 1.186 109.992 108.800 0.010 0.000 2.179 339 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 339 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 339 G C 0.033 174.848 174.900 -0.141 0.000 0.977 339 G CA 0.077 45.226 45.100 0.083 0.000 0.641 339 G HN 0.431 nan 8.290 nan 0.000 0.533 340 V N 1.048 120.732 119.914 -0.383 0.000 2.370 340 V HA 0.645 4.765 4.120 -0.000 0.000 0.279 340 V C -0.268 175.442 176.094 -0.640 0.000 1.029 340 V CA -0.768 61.304 62.300 -0.379 0.000 0.870 340 V CB 0.806 32.405 31.823 -0.374 0.000 0.984 340 V HN 0.254 nan 8.190 nan 0.000 0.451 341 Y N 4.186 124.525 120.300 0.064 0.000 2.393 341 Y HA 0.618 5.168 4.550 -0.000 0.000 0.341 341 Y C -0.501 175.572 175.900 0.289 0.000 0.988 341 Y CA -0.778 57.459 58.100 0.228 0.000 1.078 341 Y CB 1.830 40.347 38.460 0.095 0.000 1.203 341 Y HN 0.633 nan 8.280 nan 0.000 0.453 342 Y N 2.244 122.842 120.300 0.497 0.000 2.468 342 Y HA 0.676 5.226 4.550 -0.000 0.000 0.342 342 Y C -1.198 175.020 175.900 0.530 0.000 1.021 342 Y CA -1.834 56.459 58.100 0.323 0.000 1.079 342 Y CB 1.734 40.297 38.460 0.171 0.000 1.226 342 Y HN 0.800 nan 8.280 nan 0.000 0.460 343 C N 6.592 125.665 119.300 -0.379 0.000 2.505 343 C HA 0.362 4.822 4.460 -0.000 0.000 0.342 343 C C -1.315 173.303 174.990 -0.619 0.000 1.121 343 C CA -0.716 58.136 59.018 -0.277 0.000 1.306 343 C CB -0.060 27.901 27.740 0.368 0.000 1.897 343 C HN 0.888 nan 8.230 nan 0.000 0.446 344 D N 3.904 124.002 120.400 -0.503 0.000 2.280 344 D HA 0.300 4.940 4.640 -0.000 0.000 0.243 344 D C 0.106 176.376 176.300 -0.050 0.000 1.129 344 D CA 0.322 54.195 54.000 -0.212 0.000 0.848 344 D CB 0.762 41.567 40.800 0.008 0.000 1.107 344 D HN 0.712 nan 8.370 nan 0.000 0.471 345 N N 3.416 122.131 118.700 0.025 0.000 2.377 345 N HA 0.094 4.834 4.740 -0.000 0.000 0.259 345 N C 1.104 176.651 175.510 0.063 0.000 1.332 345 N CA -0.163 52.917 53.050 0.050 0.000 0.877 345 N CB 0.700 39.231 38.487 0.074 0.000 1.299 345 N HN 0.357 nan 8.380 nan 0.000 0.501 346 R N 0.536 121.079 120.500 0.072 0.000 2.083 346 R HA -0.067 4.273 4.340 -0.000 0.000 0.237 346 R C 0.726 177.045 176.300 0.031 0.000 1.137 346 R CA 1.287 57.422 56.100 0.059 0.000 0.951 346 R CB 0.061 30.438 30.300 0.127 0.000 0.851 346 R HN 0.070 nan 8.270 nan 0.000 0.434 347 D N 0.232 120.659 120.400 0.045 0.000 2.224 347 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 347 D C 0.136 176.460 176.300 0.040 0.000 0.965 347 D CA 1.251 55.274 54.000 0.038 0.000 0.852 347 D CB 0.243 41.066 40.800 0.039 0.000 0.947 347 D HN 0.103 nan 8.370 nan 0.000 0.494 348 K N 0.639 121.071 120.400 0.054 0.000 2.827 348 K HA 0.279 4.599 4.320 -0.000 0.000 0.186 348 K C -2.746 173.919 176.600 0.109 0.000 1.093 348 K CA -1.448 54.889 56.287 0.083 0.000 0.993 348 K CB 2.390 34.944 32.500 0.091 0.000 1.199 348 K HN -0.108 nan 8.250 nan 0.000 0.598 349 P HA -0.058 nan 4.420 nan 0.000 0.265 349 P C -0.076 177.353 177.300 0.215 0.000 1.187 349 P CA -0.119 63.055 63.100 0.123 0.000 0.766 349 P CB 0.452 32.194 31.700 0.071 0.000 0.820 350 I N 3.725 124.416 120.570 0.202 0.000 2.598 350 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 350 I C -0.004 176.341 176.117 0.379 0.000 1.140 350 I CA 0.362 61.778 61.300 0.194 0.000 1.420 350 I CB -1.069 36.737 38.000 -0.323 0.000 1.387 350 I HN 0.417 nan 8.210 nan 0.000 0.553 351 Y N 6.530 126.938 120.300 0.181 0.000 2.359 351 Y HA 0.216 4.766 4.550 -0.000 0.000 0.336 351 Y C 0.319 176.152 175.900 -0.112 0.000 1.098 351 Y CA -1.332 56.783 58.100 0.025 0.000 1.272 351 Y CB 0.872 39.289 38.460 -0.071 0.000 1.112 351 Y HN 0.709 nan 8.280 nan 0.000 0.481 352 T N 2.344 116.808 114.554 -0.150 0.000 2.903 352 T HA 0.375 4.725 4.350 -0.000 0.000 0.314 352 T C 0.851 175.221 174.700 -0.551 0.000 1.078 352 T CA 0.606 62.585 62.100 -0.202 0.000 1.114 352 T CB 0.827 69.651 68.868 -0.073 0.000 0.987 352 T HN 0.945 nan 8.240 nan 0.000 0.548 353 L N -1.105 119.883 121.223 -0.392 0.000 3.294 353 L HA -0.181 4.159 4.340 -0.000 0.000 0.437 353 L C 1.618 178.254 176.870 -0.390 0.000 0.749 353 L CA 1.226 55.831 54.840 -0.391 0.000 2.510 353 L CB -1.495 40.256 42.059 -0.513 0.000 1.159 353 L HN 0.834 nan 8.230 nan 0.000 0.602 354 Q N 0.368 119.857 119.800 -0.519 0.000 2.391 354 Q HA 0.069 4.410 4.340 -0.000 0.000 0.243 354 Q C -0.188 175.568 176.000 -0.407 0.000 0.874 354 Q CA 0.856 56.360 55.803 -0.498 0.000 0.950 354 Q CB 0.901 29.225 28.738 -0.690 0.000 1.103 354 Q HN 0.636 nan 8.270 nan 0.000 0.544 355 Y N -2.322 117.949 120.300 -0.048 0.000 2.988 355 Y HA 0.547 5.097 4.550 -0.000 0.000 0.241 355 Y C -0.047 175.829 175.900 -0.040 0.000 0.904 355 Y CA -0.930 57.152 58.100 -0.031 0.000 1.146 355 Y CB -0.421 38.032 38.460 -0.011 0.000 1.178 355 Y HN 0.156 nan 8.280 nan 0.000 0.584 356 G N 1.762 110.636 108.800 0.123 0.000 2.907 356 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 356 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 356 G C -0.337 174.619 174.900 0.094 0.000 1.448 356 G CA -0.256 44.888 45.100 0.073 0.000 0.911 356 G HN 0.651 nan 8.290 nan 0.000 0.553 357 N N -0.861 117.867 118.700 0.047 0.000 2.454 357 N HA 0.328 5.068 4.740 -0.000 0.000 0.254 357 N C 0.244 175.799 175.510 0.075 0.000 1.228 357 N CA 0.264 53.344 53.050 0.050 0.000 0.900 357 N CB 1.397 39.895 38.487 0.018 0.000 1.089 357 N HN 0.585 nan 8.380 nan 0.000 0.449 358 V N -0.240 119.744 119.914 0.117 0.000 2.864 358 V HA 0.826 4.946 4.120 -0.000 0.000 0.314 358 V C 0.601 176.857 176.094 0.271 0.000 1.073 358 V CA -0.870 61.511 62.300 0.134 0.000 0.956 358 V CB 2.118 33.979 31.823 0.063 0.000 1.023 358 V HN 0.811 nan 8.190 nan 0.000 0.435 359 G N 0.815 109.760 108.800 0.242 0.000 2.612 359 G HA2 0.651 4.611 3.960 -0.000 0.000 0.298 359 G HA3 0.651 4.611 3.960 -0.000 0.000 0.298 359 G C -1.955 173.097 174.900 0.254 0.000 1.336 359 G CA -0.587 44.630 45.100 0.195 0.000 0.953 359 G HN 0.479 nan 8.290 nan 0.000 0.482 360 F N 1.926 121.876 119.950 -0.001 0.000 2.408 360 F HA 0.656 5.183 4.527 -0.000 0.000 0.344 360 F C -0.244 175.540 175.800 -0.027 0.000 1.112 360 F CA -0.474 57.557 58.000 0.052 0.000 1.096 360 F CB 1.680 40.658 39.000 -0.037 0.000 1.129 360 F HN 0.282 nan 8.300 nan 0.000 0.486 361 V N 6.449 126.070 119.914 -0.489 0.000 2.555 361 V HA 0.598 4.718 4.120 -0.000 0.000 0.302 361 V C -0.871 174.999 176.094 -0.373 0.000 1.038 361 V CA -0.866 61.267 62.300 -0.278 0.000 0.887 361 V CB 1.679 33.420 31.823 -0.137 0.000 0.991 361 V HN 0.574 nan 8.190 nan 0.000 0.434 362 V N 3.746 123.544 119.914 -0.193 0.000 2.525 362 V HA 0.468 4.588 4.120 -0.000 0.000 0.299 362 V C -0.412 175.481 176.094 -0.335 0.000 1.034 362 V CA -0.654 61.461 62.300 -0.309 0.000 0.863 362 V CB 2.018 33.663 31.823 -0.297 0.000 0.999 362 V HN 0.886 nan 8.190 nan 0.000 0.423 363 N N 6.716 125.079 118.700 -0.563 0.000 2.558 363 N HA 0.378 5.118 4.740 -0.000 0.000 0.242 363 N C -2.780 172.440 175.510 -0.483 0.000 0.979 363 N CA -1.645 51.045 53.050 -0.601 0.000 0.931 363 N CB 2.547 40.335 38.487 -1.165 0.000 1.122 363 N HN 0.343 nan 8.380 nan 0.000 0.508 364 P HA 0.149 nan 4.420 nan 0.000 0.279 364 P C 0.163 177.391 177.300 -0.120 0.000 1.239 364 P CA -0.181 62.790 63.100 -0.215 0.000 0.789 364 P CB 2.000 33.569 31.700 -0.218 0.000 0.933 365 K N 1.638 122.007 120.400 -0.051 0.000 2.211 365 K HA 0.084 4.404 4.320 -0.000 0.000 0.201 365 K C -0.114 176.480 176.600 -0.009 0.000 1.052 365 K CA 0.898 57.165 56.287 -0.034 0.000 0.973 365 K CB 0.331 32.820 32.500 -0.019 0.000 0.766 365 K HN 0.428 nan 8.250 nan 0.000 0.466 366 T N 0.584 115.152 114.554 0.024 0.000 2.916 366 T HA 0.409 4.758 4.350 -0.000 0.000 0.298 366 T C -1.538 173.189 174.700 0.046 0.000 1.031 366 T CA -0.706 61.400 62.100 0.009 0.000 0.993 366 T CB 2.343 71.199 68.868 -0.020 0.000 1.045 366 T HN -0.191 nan 8.240 nan 0.000 0.454 367 V N 4.127 124.048 119.914 0.012 0.000 2.419 367 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 367 V C -0.351 175.722 176.094 -0.035 0.000 1.017 367 V CA -1.112 61.203 62.300 0.024 0.000 0.844 367 V CB 1.505 33.334 31.823 0.011 0.000 1.011 367 V HN 0.774 nan 8.190 nan 0.000 0.429 368 N N 2.344 120.996 118.700 -0.080 0.000 2.379 368 N HA 0.231 4.971 4.740 -0.000 0.000 0.260 368 N C 0.027 175.494 175.510 -0.072 0.000 1.254 368 N CA -0.491 52.505 53.050 -0.091 0.000 0.958 368 N CB 0.748 39.152 38.487 -0.139 0.000 1.208 368 N HN 0.779 nan 8.380 nan 0.000 0.532 369 Q N 0.574 120.336 119.800 -0.063 0.000 2.337 369 Q HA -0.014 4.326 4.340 -0.000 0.000 0.270 369 Q C -0.503 175.464 176.000 -0.054 0.000 1.002 369 Q CA 0.119 55.894 55.803 -0.047 0.000 0.888 369 Q CB 0.163 28.879 28.738 -0.037 0.000 1.222 369 Q HN 0.436 nan 8.270 nan 0.000 0.400 370 N N 0.344 119.020 118.700 -0.040 0.000 2.776 370 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 370 N C -1.243 174.237 175.510 -0.050 0.000 1.111 370 N CA 0.954 53.983 53.050 -0.036 0.000 0.711 370 N CB -1.661 36.807 38.487 -0.032 0.000 1.065 370 N HN 0.639 nan 8.380 nan 0.000 0.556 371 A N 0.812 123.601 122.820 -0.051 0.000 2.371 371 A HA 0.666 4.986 4.320 -0.000 0.000 0.257 371 A C 0.874 178.446 177.584 -0.019 0.000 1.089 371 A CA 0.189 52.209 52.037 -0.027 0.000 0.794 371 A CB 0.623 19.647 19.000 0.039 0.000 1.029 371 A HN 0.463 nan 8.150 nan 0.000 0.488 372 R N 0.785 121.301 120.500 0.028 0.000 2.690 372 R HA 0.606 4.946 4.340 -0.000 0.000 0.269 372 R C -2.131 174.197 176.300 0.047 0.000 1.037 372 R CA -0.928 55.165 56.100 -0.012 0.000 0.877 372 R CB 0.870 31.187 30.300 0.028 0.000 1.255 372 R HN 0.455 nan 8.270 nan 0.000 0.467 373 L N 2.621 123.852 121.223 0.013 0.000 2.296 373 L HA 0.478 4.818 4.340 -0.000 0.000 0.286 373 L C -0.648 176.291 176.870 0.116 0.000 1.023 373 L CA -1.031 53.849 54.840 0.066 0.000 0.812 373 L CB 1.658 43.755 42.059 0.062 0.000 1.223 373 L HN 0.445 nan 8.230 nan 0.000 0.421 374 L N 4.834 126.143 121.223 0.144 0.000 2.257 374 L HA 0.421 4.761 4.340 -0.000 0.000 0.290 374 L C -0.199 176.742 176.870 0.118 0.000 1.044 374 L CA -0.317 54.642 54.840 0.198 0.000 0.810 374 L CB 1.111 43.365 42.059 0.325 0.000 1.193 374 L HN 0.487 nan 8.230 nan 0.000 0.425 375 M N 2.853 122.443 119.600 -0.016 0.000 2.209 375 M HA 0.456 4.936 4.480 -0.000 0.000 0.355 375 M C 0.335 176.343 176.300 -0.486 0.000 1.171 375 M CA -0.337 54.774 55.300 -0.315 0.000 1.069 375 M CB 1.348 33.710 32.600 -0.398 0.000 1.622 375 M HN 0.559 nan 8.290 nan 0.000 0.459 376 G N 3.517 111.904 108.800 -0.690 0.000 2.544 376 G HA2 0.680 4.640 3.960 -0.000 0.000 0.313 376 G HA3 0.680 4.640 3.960 -0.000 0.000 0.313 376 G C -1.783 172.741 174.900 -0.626 0.000 1.316 376 G CA -0.251 44.243 45.100 -1.009 0.000 0.944 376 G HN 0.597 nan 8.290 nan 0.000 0.489 377 Y N 0.228 120.582 120.300 0.090 0.000 2.485 377 Y HA 0.579 5.129 4.550 0.000 0.000 0.345 377 Y C 0.295 176.451 175.900 0.427 0.000 0.998 377 Y CA -0.935 57.403 58.100 0.396 0.000 1.059 377 Y CB 2.810 41.629 38.460 0.598 0.000 1.234 377 Y HN 0.488 nan 8.280 nan 0.000 0.461 378 E N 2.738 123.272 120.200 0.557 0.000 2.191 378 E HA 0.425 4.775 4.350 -0.000 0.000 0.263 378 E C -1.873 174.889 176.600 0.270 0.000 0.881 378 E CA -0.673 55.892 56.400 0.276 0.000 0.757 378 E CB 1.266 31.154 29.700 0.314 0.000 1.147 378 E HN 0.584 nan 8.360 nan 0.000 0.414 379 Y N 1.733 122.036 120.300 0.005 0.000 2.670 379 Y HA 0.569 5.119 4.550 -0.000 0.000 0.334 379 Y C -1.886 173.970 175.900 -0.074 0.000 1.185 379 Y CA -1.468 56.538 58.100 -0.157 0.000 1.053 379 Y CB 1.014 39.231 38.460 -0.406 0.000 1.298 379 Y HN 0.286 nan 8.280 nan 0.000 0.459 380 F N 0.813 120.864 119.950 0.168 0.000 2.480 380 F HA 0.708 5.235 4.527 -0.000 0.000 0.329 380 F C 0.224 176.087 175.800 0.105 0.000 1.091 380 F CA -0.910 57.136 58.000 0.076 0.000 0.972 380 F CB 2.517 41.508 39.000 -0.016 0.000 1.150 380 F HN 0.740 nan 8.300 nan 0.000 0.467 381 T N 1.052 115.758 114.554 0.253 0.000 2.853 381 T HA 0.293 4.643 4.350 -0.000 0.000 0.311 381 T C -1.039 173.711 174.700 0.083 0.000 1.307 381 T CA -0.514 61.687 62.100 0.167 0.000 1.019 381 T CB 1.559 70.509 68.868 0.136 0.000 1.264 381 T HN 0.484 nan 8.240 nan 0.000 0.497 382 S N 2.122 117.869 115.700 0.077 0.000 2.565 382 S HA 0.385 4.855 4.470 -0.000 0.000 0.276 382 S C 0.365 174.982 174.600 0.029 0.000 1.326 382 S CA -0.586 57.634 58.200 0.034 0.000 1.045 382 S CB 0.618 63.840 63.200 0.036 0.000 0.918 382 S HN 0.660 nan 8.310 nan 0.000 0.505 383 R N 0.888 121.391 120.500 0.005 0.000 2.726 383 R HA 0.419 4.759 4.340 -0.000 0.000 0.272 383 R C 1.465 177.778 176.300 0.021 0.000 1.097 383 R CA 0.989 57.090 56.100 0.002 0.000 1.198 383 R CB -0.372 29.930 30.300 0.002 0.000 1.114 383 R HN 0.928 nan 8.270 nan 0.000 0.550 384 T N -2.203 112.366 114.554 0.025 0.000 12.481 384 T HA -0.342 4.008 4.350 -0.000 0.000 0.418 384 T C 0.469 175.191 174.700 0.035 0.000 1.450 384 T CA 2.899 65.018 62.100 0.031 0.000 2.393 384 T CB -1.918 66.966 68.868 0.027 0.000 2.837 384 T HN 1.172 nan 8.240 nan 0.000 0.792 385 E N 0.000 120.223 120.200 0.039 0.000 2.725 385 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 385 E CA 0.000 nan 56.400 nan 0.000 0.976 385 E CB 0.000 nan 29.700 nan 0.000 0.812 385 E HN 0.000 nan 8.360 nan 0.000 0.440