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 2dfk_1_A DATA FIRST_RESID 37 DATA SEQUENCE CLCLGRPLQN RDQMRANVIN EIMSTERHYI KHLKDICEGY LKQCRKRRDM DATA SEQUENCE FSDEQLKVIF GNIEDIYRFQ MGFVRDLEKQ YNNDDPHLSE IGPCFLEHQD DATA SEQUENCE GFWIYSEYCN NHLDACMELS KLMKDSRYQH FFEACRLLQQ MIDIAIDGFL DATA SEQUENCE LTPVQKICKY PLQLAELLKY TAQDHSDYRY VAAALAVMRN VTQQINERKR DATA SEQUENCE RLENIDKIAQ WQASVLDWEG DDILDRSSEL IYTGEMAWIY QPYGRNQQRV DATA SEQUENCE FFLFDHQMVL CKKDLIRRDI LYYKGRIDMD KYEVIDIEDG RDDDFNVSMK DATA SEQUENCE NAFKLHNKET EEVHLFFAKK LEEKIRWLRA FREERKMVQE DEKIGFEISE DATA SEQUENCE NQKRQAAMTV RKASK 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 37 C HA 0.000 nan 4.460 nan 0.000 0.325 37 C C 0.000 174.991 174.990 0.002 0.000 1.270 37 C CA 0.000 59.019 59.018 0.002 0.000 1.963 37 C CB 0.000 27.742 27.740 0.003 0.000 2.134 38 L N 0.516 121.740 121.223 0.003 0.000 3.154 38 L HA 0.188 4.525 4.340 -0.005 0.000 0.280 38 L C 0.596 177.468 176.870 0.003 0.000 1.134 38 L CA 0.523 55.364 54.840 0.002 0.000 1.037 38 L CB 0.324 42.384 42.059 0.002 0.000 1.571 38 L HN 0.969 nan 8.230 nan 0.000 0.576 39 C N 0.570 119.873 119.300 0.004 0.000 4.454 39 C HA -0.164 4.292 4.460 -0.005 0.000 0.298 39 C C 1.545 176.537 174.990 0.004 0.000 1.384 39 C CA -0.077 58.943 59.018 0.004 0.000 2.002 39 C CB -3.216 24.526 27.740 0.003 0.000 1.249 39 C HN 0.473 nan 8.230 nan 0.000 0.783 40 L N 0.576 121.802 121.223 0.004 0.000 2.612 40 L HA 0.257 4.593 4.340 -0.005 0.000 0.230 40 L C 1.724 178.597 176.870 0.005 0.000 1.140 40 L CA 0.850 55.692 54.840 0.004 0.000 0.896 40 L CB -0.161 41.900 42.059 0.003 0.000 1.065 40 L HN 0.741 nan 8.230 nan 0.000 0.447 41 G N -0.444 108.360 108.800 0.006 0.000 2.528 41 G HA2 0.375 4.331 3.960 -0.005 0.000 0.289 41 G HA3 0.375 4.331 3.960 -0.005 0.000 0.289 41 G C -0.120 174.784 174.900 0.007 0.000 1.192 41 G CA -0.558 44.546 45.100 0.007 0.000 0.921 41 G HN -0.027 nan 8.290 nan 0.000 0.512 42 R N -0.285 120.220 120.500 0.007 0.000 2.553 42 R HA 0.294 4.631 4.340 -0.005 0.000 0.263 42 R C -2.183 174.121 176.300 0.006 0.000 1.066 42 R CA -1.383 54.721 56.100 0.006 0.000 1.135 42 R CB 0.344 30.647 30.300 0.005 0.000 1.148 42 R HN 0.303 nan 8.270 nan 0.000 0.558 43 P HA 0.061 nan 4.420 nan 0.000 0.258 43 P C -0.849 176.453 177.300 0.003 0.000 1.187 43 P CA 0.537 63.638 63.100 0.002 0.000 0.767 43 P CB 0.250 31.950 31.700 -0.001 0.000 0.770 44 L N 2.971 124.197 121.223 0.004 0.000 2.365 44 L HA 0.328 4.665 4.340 -0.005 0.000 0.273 44 L C 0.603 177.469 176.870 -0.008 0.000 1.000 44 L CA -0.963 53.879 54.840 0.004 0.000 0.819 44 L CB 1.727 43.798 42.059 0.021 0.000 1.284 44 L HN 0.294 nan 8.230 nan 0.000 0.418 45 Q N 1.688 121.472 119.800 -0.026 0.000 2.392 45 Q HA 0.070 4.407 4.340 -0.005 0.000 0.262 45 Q C -0.285 175.686 176.000 -0.048 0.000 1.003 45 Q CA -0.250 55.525 55.803 -0.046 0.000 0.888 45 Q CB 0.576 29.270 28.738 -0.073 0.000 1.260 45 Q HN 0.628 nan 8.270 nan 0.000 0.435 46 N N 0.281 118.954 118.700 -0.045 0.000 2.399 46 N HA -0.022 4.715 4.740 -0.005 0.000 0.250 46 N C 0.626 176.113 175.510 -0.038 0.000 1.272 46 N CA -0.435 52.599 53.050 -0.026 0.000 0.928 46 N CB 0.800 39.270 38.487 -0.028 0.000 1.158 46 N HN 0.535 nan 8.380 nan 0.000 0.463 47 R N 0.014 120.531 120.500 0.029 0.000 2.083 47 R HA -0.206 4.130 4.340 -0.005 0.000 0.237 47 R C 0.397 176.728 176.300 0.051 0.000 1.137 47 R CA 2.020 58.181 56.100 0.103 0.000 0.951 47 R CB -0.465 29.948 30.300 0.189 0.000 0.851 47 R HN 0.702 nan 8.270 nan 0.000 0.434 48 D N 0.181 120.580 120.400 -0.002 0.000 2.123 48 D HA -0.201 4.435 4.640 -0.005 0.000 0.196 48 D C 1.907 178.127 176.300 -0.134 0.000 0.992 48 D CA 1.203 55.147 54.000 -0.093 0.000 0.833 48 D CB -0.321 40.247 40.800 -0.387 0.000 0.954 48 D HN 0.249 nan 8.370 nan 0.000 0.455 49 Q N -0.161 119.557 119.800 -0.137 0.000 2.084 49 Q HA -0.094 4.243 4.340 -0.005 0.000 0.202 49 Q C 1.954 177.877 176.000 -0.127 0.000 0.978 49 Q CA 1.137 56.872 55.803 -0.113 0.000 0.844 49 Q CB -0.184 28.496 28.738 -0.098 0.000 0.898 49 Q HN 0.100 nan 8.270 nan 0.000 0.426 50 M N -0.319 119.143 119.600 -0.230 0.000 2.159 50 M HA -0.116 4.361 4.480 -0.005 0.000 0.263 50 M C 2.173 178.303 176.300 -0.284 0.000 1.063 50 M CA 1.641 56.671 55.300 -0.450 0.000 1.110 50 M CB -0.865 31.057 32.600 -1.130 0.000 1.374 50 M HN 0.279 nan 8.290 nan 0.000 0.411 51 R N 0.007 120.461 120.500 -0.076 0.000 2.081 51 R HA -0.092 4.245 4.340 -0.005 0.000 0.235 51 R C 2.183 178.554 176.300 0.118 0.000 1.131 51 R CA 1.638 57.810 56.100 0.121 0.000 0.960 51 R CB -0.201 30.256 30.300 0.261 0.000 0.856 51 R HN 0.331 nan 8.270 nan 0.000 0.436 52 A N 1.219 124.101 122.820 0.104 0.000 1.940 52 A HA -0.204 4.113 4.320 -0.005 0.000 0.219 52 A C 1.750 179.384 177.584 0.083 0.000 1.176 52 A CA 1.750 53.856 52.037 0.114 0.000 0.631 52 A CB -0.611 18.435 19.000 0.077 0.000 0.814 52 A HN 0.399 nan 8.150 nan 0.000 0.446 53 N N 0.128 118.840 118.700 0.020 0.000 2.120 53 N HA -0.121 4.616 4.740 -0.005 0.000 0.188 53 N C 1.696 177.233 175.510 0.044 0.000 1.024 53 N CA 1.634 54.693 53.050 0.014 0.000 0.852 53 N CB -0.595 37.864 38.487 -0.048 0.000 1.003 53 N HN 0.283 nan 8.380 nan 0.000 0.424 54 V N 1.828 121.772 119.914 0.050 0.000 2.358 54 V HA -0.146 3.970 4.120 -0.005 0.000 0.246 54 V C 2.332 178.497 176.094 0.118 0.000 1.047 54 V CA 0.943 63.297 62.300 0.090 0.000 1.035 54 V CB -0.300 31.596 31.823 0.123 0.000 0.658 54 V HN 0.203 nan 8.190 nan 0.000 0.452 55 I N 0.774 121.426 120.570 0.137 0.000 2.163 55 I HA -0.284 3.882 4.170 -0.005 0.000 0.243 55 I C 2.480 178.699 176.117 0.170 0.000 1.085 55 I CA 1.897 63.300 61.300 0.171 0.000 1.347 55 I CB -1.483 36.639 38.000 0.203 0.000 1.044 55 I HN 0.517 nan 8.210 nan 0.000 0.408 56 N N 0.891 119.688 118.700 0.161 0.000 2.104 56 N HA -0.261 4.475 4.740 -0.005 0.000 0.190 56 N C 1.871 177.430 175.510 0.082 0.000 1.024 56 N CA 1.463 54.580 53.050 0.111 0.000 0.853 56 N CB 0.008 38.556 38.487 0.102 0.000 1.008 56 N HN 0.435 nan 8.380 nan 0.000 0.424 57 E N 0.521 120.776 120.200 0.091 0.000 2.077 57 E HA -0.146 4.201 4.350 -0.005 0.000 0.193 57 E C 2.214 178.883 176.600 0.116 0.000 0.989 57 E CA 0.803 57.259 56.400 0.094 0.000 0.800 57 E CB -0.013 29.736 29.700 0.082 0.000 0.746 57 E HN 0.448 nan 8.360 nan 0.000 0.452 58 I N 0.617 121.266 120.570 0.132 0.000 2.226 58 I HA -0.306 3.861 4.170 -0.005 0.000 0.245 58 I C 2.496 178.697 176.117 0.141 0.000 1.100 58 I CA 0.795 62.199 61.300 0.173 0.000 1.374 58 I CB -0.193 37.937 38.000 0.217 0.000 1.057 58 I HN 0.235 nan 8.210 nan 0.000 0.413 59 M N -0.305 119.340 119.600 0.076 0.000 2.132 59 M HA -0.157 4.320 4.480 -0.005 0.000 0.263 59 M C 2.599 178.902 176.300 0.005 0.000 1.065 59 M CA 1.613 56.909 55.300 -0.006 0.000 1.122 59 M CB -1.435 31.093 32.600 -0.120 0.000 1.365 59 M HN 0.214 nan 8.290 nan 0.000 0.411 60 S N 0.207 115.931 115.700 0.040 0.000 2.387 60 S HA -0.106 4.360 4.470 -0.005 0.000 0.226 60 S C 1.974 176.706 174.600 0.221 0.000 1.026 60 S CA 2.028 60.273 58.200 0.075 0.000 0.972 60 S CB -0.329 62.946 63.200 0.124 0.000 0.814 60 S HN 0.639 nan 8.310 nan 0.000 0.477 61 T N -0.561 114.128 114.554 0.226 0.000 2.904 61 T HA 0.068 4.415 4.350 -0.005 0.000 0.267 61 T C 1.592 176.466 174.700 0.290 0.000 1.059 61 T CA 0.885 63.145 62.100 0.266 0.000 1.137 61 T CB -0.376 68.590 68.868 0.163 0.000 0.879 61 T HN 0.270 nan 8.240 nan 0.000 0.467 62 E N 1.723 122.072 120.200 0.249 0.000 2.072 62 E HA -0.009 4.338 4.350 -0.005 0.000 0.191 62 E C 2.490 179.229 176.600 0.233 0.000 0.985 62 E CA 0.830 57.411 56.400 0.302 0.000 0.801 62 E CB -0.282 29.558 29.700 0.233 0.000 0.750 62 E HN 0.603 nan 8.360 nan 0.000 0.452 63 R N -0.161 120.392 120.500 0.089 0.000 2.075 63 R HA -0.078 4.258 4.340 -0.005 0.000 0.232 63 R C 2.259 178.553 176.300 -0.010 0.000 1.126 63 R CA 1.178 57.268 56.100 -0.016 0.000 0.963 63 R CB -0.459 29.749 30.300 -0.154 0.000 0.858 63 R HN 0.373 nan 8.270 nan 0.000 0.435 64 H N -1.142 118.009 119.070 0.134 0.000 2.387 64 H HA -0.168 4.384 4.556 -0.006 0.000 0.299 64 H C 1.724 177.263 175.328 0.351 0.000 1.090 64 H CA 1.709 57.845 56.048 0.146 0.000 1.332 64 H CB -0.080 29.796 29.762 0.190 0.000 1.386 64 H HN 0.202 nan 8.280 nan 0.000 0.516 65 Y N 0.722 121.263 120.300 0.401 0.000 2.200 65 Y HA -0.173 4.374 4.550 -0.005 0.000 0.290 65 Y C 2.277 178.373 175.900 0.326 0.000 1.137 65 Y CA 1.144 59.490 58.100 0.410 0.000 1.163 65 Y CB -0.433 38.197 38.460 0.283 0.000 0.988 65 Y HN 0.235 nan 8.280 nan 0.000 0.518 66 I N 0.054 120.699 120.570 0.124 0.000 2.439 66 I HA -0.227 3.939 4.170 -0.005 0.000 0.251 66 I C 2.484 178.587 176.117 -0.024 0.000 1.139 66 I CA 1.201 62.504 61.300 0.004 0.000 1.438 66 I CB -0.342 37.723 38.000 0.107 0.000 1.085 66 I HN 0.210 nan 8.210 nan 0.000 0.427 67 K N 0.119 120.508 120.400 -0.018 0.000 2.057 67 K HA -0.236 4.080 4.320 -0.005 0.000 0.207 67 K C 2.067 178.583 176.600 -0.140 0.000 1.049 67 K CA 1.457 57.679 56.287 -0.108 0.000 0.931 67 K CB -0.205 32.209 32.500 -0.142 0.000 0.714 67 K HN 0.484 nan 8.250 nan 0.000 0.440 68 H N 0.586 119.680 119.070 0.039 0.000 2.387 68 H HA -0.110 4.443 4.556 -0.005 0.000 0.299 68 H C 2.279 177.565 175.328 -0.069 0.000 1.090 68 H CA 1.511 57.612 56.048 0.088 0.000 1.332 68 H CB -0.108 29.819 29.762 0.275 0.000 1.386 68 H HN 0.211 nan 8.280 nan 0.000 0.516 69 L N 0.718 121.883 121.223 -0.097 0.000 2.046 69 L HA -0.164 4.173 4.340 -0.005 0.000 0.208 69 L C 2.742 179.242 176.870 -0.618 0.000 1.077 69 L CA 1.236 55.904 54.840 -0.287 0.000 0.747 69 L CB -0.304 41.576 42.059 -0.298 0.000 0.896 69 L HN 0.156 nan 8.230 nan 0.000 0.432 70 K N 0.052 119.992 120.400 -0.767 0.000 2.097 70 K HA -0.195 4.121 4.320 -0.005 0.000 0.205 70 K C 1.611 177.948 176.600 -0.439 0.000 1.050 70 K CA 1.666 57.417 56.287 -0.893 0.000 0.938 70 K CB 0.023 32.240 32.500 -0.473 0.000 0.718 70 K HN 0.221 nan 8.250 nan 0.000 0.442 71 D N 0.876 121.101 120.400 -0.292 0.000 2.144 71 D HA -0.125 4.511 4.640 -0.005 0.000 0.200 71 D C 1.930 178.095 176.300 -0.226 0.000 0.978 71 D CA 1.015 54.861 54.000 -0.256 0.000 0.833 71 D CB -0.095 40.551 40.800 -0.256 0.000 0.961 71 D HN 0.296 nan 8.370 nan 0.000 0.470 72 I N 0.349 120.854 120.570 -0.109 0.000 2.179 72 I HA -0.295 3.872 4.170 -0.005 0.000 0.242 72 I C 2.399 178.518 176.117 0.004 0.000 1.088 72 I CA 0.833 62.193 61.300 0.099 0.000 1.357 72 I CB -0.159 37.959 38.000 0.196 0.000 1.051 72 I HN 0.074 nan 8.210 nan 0.000 0.409 73 C N 0.234 119.443 119.300 -0.153 0.000 2.466 73 C HA -0.047 4.409 4.460 -0.005 0.000 0.278 73 C C 2.683 177.589 174.990 -0.140 0.000 1.288 73 C CA 0.471 59.396 59.018 -0.154 0.000 1.722 73 C CB -0.787 26.867 27.740 -0.143 0.000 2.017 73 C HN 0.474 nan 8.230 nan 0.000 0.488 74 E N 0.509 120.612 120.200 -0.162 0.000 2.170 74 E HA 0.022 4.369 4.350 -0.005 0.000 0.191 74 E C 2.307 178.817 176.600 -0.151 0.000 0.981 74 E CA 1.301 57.625 56.400 -0.127 0.000 0.830 74 E CB -0.620 29.007 29.700 -0.123 0.000 0.775 74 E HN 0.678 nan 8.360 nan 0.000 0.470 75 G N -0.881 107.789 108.800 -0.216 0.000 2.510 75 G HA2 -0.094 3.863 3.960 -0.005 0.000 0.212 75 G HA3 -0.094 3.863 3.960 -0.005 0.000 0.212 75 G C 1.227 175.932 174.900 -0.324 0.000 1.151 75 G CA 0.083 44.990 45.100 -0.321 0.000 0.817 75 G HN 0.205 nan 8.290 nan 0.000 0.534 76 Y N -0.633 119.636 120.300 -0.051 0.000 2.351 76 Y HA 0.352 4.898 4.550 -0.006 0.000 0.291 76 Y C 2.496 178.337 175.900 -0.100 0.000 1.153 76 Y CA -0.256 57.879 58.100 0.057 0.000 1.193 76 Y CB -0.093 38.520 38.460 0.255 0.000 1.187 76 Y HN -0.027 nan 8.280 nan 0.000 0.524 77 L N 0.846 121.936 121.223 -0.222 0.000 2.046 77 L HA -0.254 4.083 4.340 -0.005 0.000 0.208 77 L C 2.309 179.009 176.870 -0.284 0.000 1.077 77 L CA 1.828 56.265 54.840 -0.672 0.000 0.747 77 L CB -0.265 41.344 42.059 -0.750 0.000 0.896 77 L HN 0.260 nan 8.230 nan 0.000 0.432 78 K N -0.966 119.343 120.400 -0.151 0.000 2.097 78 K HA -0.182 4.135 4.320 -0.005 0.000 0.205 78 K C 2.101 178.692 176.600 -0.015 0.000 1.050 78 K CA 1.022 57.265 56.287 -0.074 0.000 0.938 78 K CB 0.170 32.636 32.500 -0.057 0.000 0.718 78 K HN 0.326 nan 8.250 nan 0.000 0.442 79 Q N -0.008 119.806 119.800 0.023 0.000 2.123 79 Q HA -0.110 4.227 4.340 -0.005 0.000 0.199 79 Q C 2.318 178.471 176.000 0.256 0.000 0.966 79 Q CA 1.064 56.950 55.803 0.138 0.000 0.845 79 Q CB -0.424 28.378 28.738 0.107 0.000 0.907 79 Q HN 0.414 nan 8.270 nan 0.000 0.439 80 C N 0.438 119.825 119.300 0.146 0.000 2.446 80 C HA -0.070 4.387 4.460 -0.005 0.000 0.277 80 C C 2.707 177.702 174.990 0.010 0.000 1.275 80 C CA 0.419 59.389 59.018 -0.079 0.000 1.727 80 C CB -0.792 26.679 27.740 -0.448 0.000 2.010 80 C HN 0.493 nan 8.230 nan 0.000 0.486 81 R N 0.790 121.285 120.500 -0.009 0.000 2.152 81 R HA -0.108 4.228 4.340 -0.005 0.000 0.232 81 R C 2.157 178.490 176.300 0.056 0.000 1.117 81 R CA 1.105 57.220 56.100 0.025 0.000 0.981 81 R CB -0.173 30.121 30.300 -0.010 0.000 0.870 81 R HN 0.568 nan 8.270 nan 0.000 0.451 82 K N 0.255 120.696 120.400 0.068 0.000 2.103 82 K HA -0.017 4.300 4.320 -0.005 0.000 0.204 82 K C 0.470 177.119 176.600 0.082 0.000 1.052 82 K CA 0.836 57.166 56.287 0.072 0.000 0.945 82 K CB 0.251 32.800 32.500 0.080 0.000 0.722 82 K HN 0.019 nan 8.250 nan 0.000 0.443 83 R N 1.629 122.198 120.500 0.115 0.000 3.235 83 R HA 0.160 4.496 4.340 -0.005 0.000 0.232 83 R C 0.401 176.763 176.300 0.104 0.000 1.475 83 R CA -0.122 56.026 56.100 0.080 0.000 1.405 83 R CB 0.390 30.701 30.300 0.018 0.000 1.266 83 R HN 0.090 nan 8.270 nan 0.000 0.650 84 R N 1.192 121.733 120.500 0.069 0.000 2.237 84 R HA -0.102 4.235 4.340 -0.005 0.000 0.219 84 R C 0.890 177.203 176.300 0.021 0.000 1.080 84 R CA 1.123 57.262 56.100 0.065 0.000 0.995 84 R CB 0.141 30.467 30.300 0.044 0.000 0.875 84 R HN 0.555 nan 8.270 nan 0.000 0.462 85 D N -1.107 119.278 120.400 -0.025 0.000 2.340 85 D HA -0.070 4.567 4.640 -0.005 0.000 0.220 85 D C 1.420 177.632 176.300 -0.146 0.000 1.039 85 D CA 0.433 54.391 54.000 -0.070 0.000 0.866 85 D CB 0.151 40.905 40.800 -0.076 0.000 0.913 85 D HN 0.184 nan 8.370 nan 0.000 0.523 86 M N -1.178 118.300 119.600 -0.204 0.000 2.379 86 M HA 0.227 4.704 4.480 -0.005 0.000 0.268 86 M C -0.615 175.326 176.300 -0.597 0.000 1.185 86 M CA 0.100 55.117 55.300 -0.473 0.000 1.121 86 M CB 1.398 33.519 32.600 -0.798 0.000 1.608 86 M HN -0.214 nan 8.290 nan 0.000 0.569 87 F N 0.506 120.473 119.950 0.028 0.000 2.536 87 F HA 0.334 4.858 4.527 -0.005 0.000 0.322 87 F C 0.589 176.426 175.800 0.062 0.000 1.144 87 F CA -1.175 56.877 58.000 0.088 0.000 0.924 87 F CB 1.368 40.440 39.000 0.121 0.000 1.181 87 F HN -0.089 nan 8.300 nan 0.000 0.438 88 S N 0.988 116.799 115.700 0.184 0.000 2.624 88 S HA 0.119 4.586 4.470 -0.005 0.000 0.263 88 S C 0.943 175.634 174.600 0.152 0.000 1.287 88 S CA -0.652 57.626 58.200 0.130 0.000 0.990 88 S CB 0.994 64.240 63.200 0.078 0.000 0.950 88 S HN 0.668 nan 8.310 nan 0.000 0.561 89 D N 0.674 121.138 120.400 0.107 0.000 2.133 89 D HA -0.170 4.467 4.640 -0.005 0.000 0.195 89 D C 1.804 178.164 176.300 0.100 0.000 0.997 89 D CA 1.955 56.013 54.000 0.098 0.000 0.840 89 D CB -0.184 40.657 40.800 0.068 0.000 0.947 89 D HN 0.832 nan 8.370 nan 0.000 0.452 90 E N 1.031 121.280 120.200 0.082 0.000 2.072 90 E HA -0.170 4.177 4.350 -0.005 0.000 0.191 90 E C 2.062 178.710 176.600 0.081 0.000 0.985 90 E CA 1.254 57.693 56.400 0.066 0.000 0.801 90 E CB -0.186 29.540 29.700 0.043 0.000 0.750 90 E HN 0.282 nan 8.360 nan 0.000 0.452 91 Q N -0.068 119.799 119.800 0.110 0.000 2.096 91 Q HA -0.149 4.188 4.340 -0.005 0.000 0.204 91 Q C 2.378 178.491 176.000 0.188 0.000 0.982 91 Q CA 1.723 57.612 55.803 0.143 0.000 0.850 91 Q CB -0.207 28.657 28.738 0.211 0.000 0.901 91 Q HN 0.355 nan 8.270 nan 0.000 0.422 92 L N 0.468 121.834 121.223 0.238 0.000 2.017 92 L HA -0.215 4.121 4.340 -0.005 0.000 0.208 92 L C 2.485 179.510 176.870 0.258 0.000 1.073 92 L CA 1.267 56.290 54.840 0.306 0.000 0.745 92 L CB -0.453 41.746 42.059 0.233 0.000 0.894 92 L HN 0.137 nan 8.230 nan 0.000 0.432 93 K N 0.377 120.870 120.400 0.155 0.000 2.057 93 K HA -0.141 4.175 4.320 -0.005 0.000 0.207 93 K C 1.814 178.452 176.600 0.063 0.000 1.049 93 K CA 1.630 57.983 56.287 0.110 0.000 0.931 93 K CB -0.526 32.018 32.500 0.074 0.000 0.714 93 K HN 0.030 nan 8.250 nan 0.000 0.440 94 V N 0.820 120.752 119.914 0.030 0.000 2.358 94 V HA -0.190 3.927 4.120 -0.005 0.000 0.246 94 V C 2.291 178.317 176.094 -0.115 0.000 1.047 94 V CA 1.944 64.220 62.300 -0.040 0.000 1.035 94 V CB -0.316 31.481 31.823 -0.042 0.000 0.658 94 V HN 0.319 nan 8.190 nan 0.000 0.452 95 I N -1.526 118.963 120.570 -0.135 0.000 2.333 95 I HA -0.129 4.038 4.170 -0.005 0.000 0.246 95 I C 1.932 177.762 176.117 -0.478 0.000 1.106 95 I CA 1.684 62.758 61.300 -0.378 0.000 1.411 95 I CB -0.142 37.551 38.000 -0.510 0.000 1.082 95 I HN 0.237 nan 8.210 nan 0.000 0.420 96 F N 0.269 120.209 119.950 -0.017 0.000 2.717 96 F HA 0.318 4.841 4.527 -0.006 0.000 0.295 96 F C 1.919 177.773 175.800 0.089 0.000 1.117 96 F CA 0.406 58.433 58.000 0.045 0.000 1.361 96 F CB -0.467 38.565 39.000 0.053 0.000 1.112 96 F HN 0.106 nan 8.300 nan 0.000 0.594 97 G N 2.205 111.100 108.800 0.158 0.000 2.684 97 G HA2 -0.456 3.500 3.960 -0.005 0.000 0.332 97 G HA3 -0.456 3.500 3.960 -0.005 0.000 0.332 97 G C 0.759 175.771 174.900 0.187 0.000 1.306 97 G CA 0.828 45.997 45.100 0.115 0.000 1.002 97 G HN 0.456 nan 8.290 nan 0.000 0.545 98 N N 1.088 119.918 118.700 0.217 0.000 2.378 98 N HA 0.251 4.987 4.740 -0.005 0.000 0.243 98 N C 1.611 177.226 175.510 0.175 0.000 1.137 98 N CA 0.549 53.700 53.050 0.168 0.000 0.862 98 N CB 0.449 38.998 38.487 0.105 0.000 1.116 98 N HN 0.585 nan 8.380 nan 0.000 0.499 99 I N 0.924 121.651 120.570 0.261 0.000 2.335 99 I HA -0.228 3.938 4.170 -0.005 0.000 0.251 99 I C 2.218 178.405 176.117 0.116 0.000 1.129 99 I CA 1.440 62.840 61.300 0.167 0.000 1.402 99 I CB -0.003 38.163 38.000 0.277 0.000 1.069 99 I HN 0.333 nan 8.210 nan 0.000 0.424 100 E N -0.195 120.085 120.200 0.133 0.000 2.106 100 E HA -0.275 4.072 4.350 -0.005 0.000 0.192 100 E C 1.756 178.432 176.600 0.126 0.000 0.984 100 E CA 1.374 57.863 56.400 0.148 0.000 0.806 100 E CB -0.111 29.651 29.700 0.103 0.000 0.750 100 E HN 0.531 nan 8.360 nan 0.000 0.458 101 D N 0.037 120.488 120.400 0.085 0.000 2.178 101 D HA -0.103 4.534 4.640 -0.005 0.000 0.202 101 D C 1.840 178.179 176.300 0.065 0.000 0.974 101 D CA 0.848 54.885 54.000 0.062 0.000 0.841 101 D CB 0.040 40.867 40.800 0.044 0.000 0.953 101 D HN 0.240 nan 8.370 nan 0.000 0.478 102 I N -0.215 120.365 120.570 0.017 0.000 2.252 102 I HA -0.267 3.900 4.170 -0.005 0.000 0.245 102 I C 2.040 178.259 176.117 0.170 0.000 1.102 102 I CA 0.760 62.059 61.300 -0.003 0.000 1.385 102 I CB -0.384 37.468 38.000 -0.247 0.000 1.064 102 I HN 0.128 nan 8.210 nan 0.000 0.414 103 Y N 2.290 122.583 120.300 -0.012 0.000 2.128 103 Y HA -0.286 4.261 4.550 -0.006 0.000 0.284 103 Y C 2.620 178.533 175.900 0.021 0.000 1.154 103 Y CA 1.630 59.718 58.100 -0.019 0.000 1.149 103 Y CB -0.589 37.851 38.460 -0.033 0.000 0.976 103 Y HN -0.022 nan 8.280 nan 0.000 0.505 104 R N -0.895 119.571 120.500 -0.056 0.000 2.081 104 R HA -0.158 4.178 4.340 -0.005 0.000 0.235 104 R C 2.250 178.536 176.300 -0.023 0.000 1.131 104 R CA 1.774 57.787 56.100 -0.145 0.000 0.960 104 R CB -1.012 29.248 30.300 -0.068 0.000 0.856 104 R HN 0.456 nan 8.270 nan 0.000 0.436 105 F N 1.353 121.283 119.950 -0.034 0.000 2.095 105 F HA -0.269 4.254 4.527 -0.006 0.000 0.298 105 F C 2.339 178.175 175.800 0.060 0.000 1.104 105 F CA 1.901 59.904 58.000 0.004 0.000 1.232 105 F CB -0.374 38.618 39.000 -0.013 0.000 0.987 105 F HN -0.024 nan 8.300 nan 0.000 0.475 106 Q N 0.417 120.231 119.800 0.023 0.000 2.170 106 Q HA -0.177 4.159 4.340 -0.005 0.000 0.203 106 Q C 2.113 178.078 176.000 -0.059 0.000 0.976 106 Q CA 2.043 57.856 55.803 0.015 0.000 0.858 106 Q CB -0.347 28.543 28.738 0.253 0.000 0.907 106 Q HN 0.596 nan 8.270 nan 0.000 0.433 107 M N -1.176 118.359 119.600 -0.109 0.000 2.080 107 M HA -0.134 4.342 4.480 -0.005 0.000 0.260 107 M C 2.064 178.278 176.300 -0.143 0.000 1.068 107 M CA 1.799 57.015 55.300 -0.140 0.000 1.109 107 M CB -0.697 31.764 32.600 -0.231 0.000 1.342 107 M HN 0.429 nan 8.290 nan 0.000 0.405 108 G N -0.575 108.132 108.800 -0.156 0.000 2.422 108 G HA2 -0.243 3.713 3.960 -0.005 0.000 0.218 108 G HA3 -0.243 3.713 3.960 -0.005 0.000 0.218 108 G C 1.300 176.084 174.900 -0.193 0.000 1.146 108 G CA 0.501 45.530 45.100 -0.118 0.000 0.769 108 G HN 0.377 nan 8.290 nan 0.000 0.547 109 F N 1.152 120.766 119.950 -0.560 0.000 2.163 109 F HA 0.053 4.577 4.527 -0.006 0.000 0.297 109 F C 2.624 178.157 175.800 -0.445 0.000 1.094 109 F CA 0.682 58.218 58.000 -0.773 0.000 1.290 109 F CB -0.402 38.063 39.000 -0.893 0.000 1.017 109 F HN -0.001 nan 8.300 nan 0.000 0.483 110 V N 1.421 121.130 119.914 -0.340 0.000 2.343 110 V HA -0.300 3.816 4.120 -0.005 0.000 0.247 110 V C 2.650 178.577 176.094 -0.278 0.000 1.051 110 V CA 2.233 64.347 62.300 -0.309 0.000 1.036 110 V CB -0.811 30.939 31.823 -0.121 0.000 0.654 110 V HN 0.350 nan 8.190 nan 0.000 0.451 111 R N 0.191 120.565 120.500 -0.210 0.000 2.091 111 R HA -0.214 4.123 4.340 -0.005 0.000 0.238 111 R C 1.951 178.149 176.300 -0.170 0.000 1.136 111 R CA 2.310 58.318 56.100 -0.153 0.000 0.959 111 R CB -0.426 29.808 30.300 -0.109 0.000 0.856 111 R HN 0.479 nan 8.270 nan 0.000 0.437 112 D N 0.533 120.795 120.400 -0.231 0.000 2.117 112 D HA -0.119 4.518 4.640 -0.005 0.000 0.198 112 D C 2.057 178.195 176.300 -0.270 0.000 0.982 112 D CA 1.048 54.918 54.000 -0.216 0.000 0.828 112 D CB -0.143 40.527 40.800 -0.216 0.000 0.967 112 D HN 0.270 nan 8.370 nan 0.000 0.464 113 L N 0.812 121.773 121.223 -0.437 0.000 2.042 113 L HA -0.176 4.160 4.340 -0.005 0.000 0.210 113 L C 2.304 179.076 176.870 -0.163 0.000 1.076 113 L CA 1.272 55.898 54.840 -0.356 0.000 0.749 113 L CB -0.277 41.504 42.059 -0.464 0.000 0.893 113 L HN -0.001 nan 8.230 nan 0.000 0.432 114 E N -0.235 119.871 120.200 -0.157 0.000 2.150 114 E HA -0.220 4.127 4.350 -0.005 0.000 0.193 114 E C 2.123 178.719 176.600 -0.006 0.000 0.985 114 E CA 0.886 57.240 56.400 -0.076 0.000 0.814 114 E CB 0.068 29.707 29.700 -0.103 0.000 0.752 114 E HN 0.375 nan 8.360 nan 0.000 0.466 115 K N 0.261 120.635 120.400 -0.042 0.000 2.211 115 K HA -0.096 4.221 4.320 -0.005 0.000 0.203 115 K C 1.922 178.522 176.600 -0.000 0.000 1.050 115 K CA 0.750 57.025 56.287 -0.019 0.000 0.945 115 K CB 0.196 32.674 32.500 -0.036 0.000 0.732 115 K HN 0.038 nan 8.250 nan 0.000 0.451 116 Q N -0.491 119.306 119.800 -0.005 0.000 2.424 116 Q HA -0.037 4.300 4.340 -0.005 0.000 0.204 116 Q C -0.011 176.014 176.000 0.042 0.000 0.933 116 Q CA 0.264 56.069 55.803 0.003 0.000 0.929 116 Q CB -0.096 28.632 28.738 -0.017 0.000 1.037 116 Q HN 0.291 nan 8.270 nan 0.000 0.511 117 Y N 3.049 123.324 120.300 -0.042 0.000 2.650 117 Y HA -0.021 4.526 4.550 -0.006 0.000 0.331 117 Y C 0.234 176.127 175.900 -0.011 0.000 1.165 117 Y CA -0.383 57.704 58.100 -0.021 0.000 1.473 117 Y CB 0.258 38.702 38.460 -0.026 0.000 1.224 117 Y HN -0.088 nan 8.280 nan 0.000 0.533 118 N N 6.250 124.608 118.700 -0.570 0.000 2.469 118 N HA 0.028 4.764 4.740 -0.005 0.000 0.239 118 N C 0.361 175.524 175.510 -0.579 0.000 1.053 118 N CA 0.047 52.849 53.050 -0.412 0.000 0.937 118 N CB 0.051 38.385 38.487 -0.255 0.000 1.163 118 N HN 0.819 nan 8.380 nan 0.000 0.509 119 N N 2.564 121.085 118.700 -0.300 0.000 2.149 119 N HA -0.158 4.579 4.740 -0.005 0.000 0.188 119 N C 0.380 175.843 175.510 -0.078 0.000 1.019 119 N CA 1.200 54.190 53.050 -0.100 0.000 0.857 119 N CB 0.222 38.742 38.487 0.055 0.000 0.997 119 N HN 0.670 nan 8.380 nan 0.000 0.426 120 D N -0.006 120.346 120.400 -0.080 0.000 2.144 120 D HA -0.105 4.531 4.640 -0.005 0.000 0.200 120 D C 0.041 176.318 176.300 -0.038 0.000 0.978 120 D CA 1.033 55.007 54.000 -0.043 0.000 0.833 120 D CB 0.091 40.869 40.800 -0.037 0.000 0.961 120 D HN 0.139 nan 8.370 nan 0.000 0.470 121 D N -1.167 119.190 120.400 -0.071 0.000 2.668 121 D HA 0.147 4.784 4.640 -0.005 0.000 0.247 121 D C -2.102 174.167 176.300 -0.053 0.000 1.268 121 D CA -1.672 52.325 54.000 -0.006 0.000 0.842 121 D CB 1.454 42.271 40.800 0.029 0.000 1.399 121 D HN -0.251 nan 8.370 nan 0.000 0.530 122 P HA -0.192 nan 4.420 nan 0.000 0.217 122 P C 1.157 178.464 177.300 0.011 0.000 1.151 122 P CA 1.416 64.416 63.100 -0.166 0.000 0.849 122 P CB -0.042 31.658 31.700 0.001 0.000 0.787 123 H N -1.612 117.452 119.070 -0.011 0.000 2.561 123 H HA 0.038 4.591 4.556 -0.005 0.000 0.278 123 H C 1.447 176.848 175.328 0.123 0.000 1.014 123 H CA 0.644 56.729 56.048 0.062 0.000 1.211 123 H CB -1.001 28.794 29.762 0.057 0.000 1.365 123 H HN 0.134 nan 8.280 nan 0.000 0.594 124 L N 0.430 121.479 121.223 -0.289 0.000 2.567 124 L HA 0.142 4.479 4.340 -0.005 0.000 0.225 124 L C 0.428 177.283 176.870 -0.026 0.000 1.119 124 L CA -0.324 54.347 54.840 -0.281 0.000 0.871 124 L CB 0.040 41.922 42.059 -0.295 0.000 1.036 124 L HN 0.162 nan 8.230 nan 0.000 0.459 125 S N 1.032 116.711 115.700 -0.035 0.000 2.558 125 S HA -0.060 4.407 4.470 -0.005 0.000 0.293 125 S C 0.352 174.973 174.600 0.034 0.000 1.292 125 S CA 0.212 58.401 58.200 -0.018 0.000 1.063 125 S CB 0.550 63.743 63.200 -0.012 0.000 0.831 125 S HN 0.226 nan 8.310 nan 0.000 0.499 126 E N 2.497 122.705 120.200 0.014 0.000 2.121 126 E HA 0.283 4.630 4.350 -0.005 0.000 0.255 126 E C 0.492 177.090 176.600 -0.004 0.000 0.906 126 E CA -0.275 56.119 56.400 -0.010 0.000 0.745 126 E CB 0.140 29.825 29.700 -0.025 0.000 1.155 126 E HN 0.765 nan 8.360 nan 0.000 0.424 127 I N 1.284 121.880 120.570 0.042 0.000 3.968 127 I HA 0.396 4.563 4.170 -0.005 0.000 0.328 127 I C 1.538 177.789 176.117 0.224 0.000 1.290 127 I CA -0.095 61.271 61.300 0.109 0.000 1.163 127 I CB 0.529 38.631 38.000 0.169 0.000 1.024 127 I HN 0.494 nan 8.210 nan 0.000 0.413 128 G N 3.074 111.972 108.800 0.163 0.000 2.491 128 G HA2 -0.170 3.787 3.960 -0.005 0.000 0.218 128 G HA3 -0.170 3.787 3.960 -0.005 0.000 0.218 128 G C -0.489 174.564 174.900 0.254 0.000 1.180 128 G CA 1.285 46.516 45.100 0.218 0.000 0.774 128 G HN 0.382 nan 8.290 nan 0.000 0.562 129 P HA 0.004 nan 4.420 nan 0.000 0.222 129 P C 1.677 179.085 177.300 0.179 0.000 1.147 129 P CA 0.782 63.939 63.100 0.095 0.000 0.790 129 P CB -0.097 31.542 31.700 -0.103 0.000 0.780 130 C N -2.362 117.037 119.300 0.165 0.000 2.446 130 C HA -0.060 4.397 4.460 -0.005 0.000 0.277 130 C C 2.334 177.516 174.990 0.321 0.000 1.275 130 C CA 0.440 59.534 59.018 0.126 0.000 1.727 130 C CB -2.021 25.619 27.740 -0.166 0.000 2.010 130 C HN 0.155 nan 8.230 nan 0.000 0.486 131 F N 1.397 121.572 119.950 0.376 0.000 2.102 131 F HA -0.089 4.435 4.527 -0.005 0.000 0.298 131 F C 2.308 178.307 175.800 0.331 0.000 1.105 131 F CA 1.389 59.623 58.000 0.392 0.000 1.239 131 F CB -0.784 38.327 39.000 0.185 0.000 0.991 131 F HN 0.120 nan 8.300 nan 0.000 0.474 132 L N 0.138 121.617 121.223 0.426 0.000 2.046 132 L HA -0.215 4.122 4.340 -0.005 0.000 0.208 132 L C 2.516 179.546 176.870 0.267 0.000 1.077 132 L CA 1.918 56.935 54.840 0.296 0.000 0.747 132 L CB -0.903 41.304 42.059 0.247 0.000 0.896 132 L HN 0.285 nan 8.230 nan 0.000 0.432 133 E N -0.658 119.711 120.200 0.281 0.000 2.358 133 E HA -0.199 4.148 4.350 -0.005 0.000 0.195 133 E C 1.079 177.751 176.600 0.121 0.000 1.010 133 E CA 0.985 57.498 56.400 0.188 0.000 0.856 133 E CB -0.131 29.662 29.700 0.155 0.000 0.795 133 E HN 0.578 nan 8.360 nan 0.000 0.504 134 H N 0.916 120.094 119.070 0.180 0.000 2.549 134 H HA 0.083 4.635 4.556 -0.006 0.000 0.279 134 H C 1.768 177.192 175.328 0.160 0.000 1.018 134 H CA 0.579 56.709 56.048 0.136 0.000 1.175 134 H CB 0.399 30.174 29.762 0.021 0.000 1.485 134 H HN 0.385 nan 8.280 nan 0.000 0.543 135 Q N 0.299 120.300 119.800 0.335 0.000 2.135 135 Q HA -0.173 4.164 4.340 -0.005 0.000 0.204 135 Q C 0.550 176.729 176.000 0.299 0.000 0.981 135 Q CA 1.768 57.817 55.803 0.409 0.000 0.856 135 Q CB 0.051 28.945 28.738 0.259 0.000 0.902 135 Q HN 0.279 nan 8.270 nan 0.000 0.425 136 D N 1.030 121.527 120.400 0.162 0.000 2.183 136 D HA -0.049 4.588 4.640 -0.005 0.000 0.203 136 D C 2.053 178.417 176.300 0.107 0.000 0.969 136 D CA 1.361 55.434 54.000 0.122 0.000 0.842 136 D CB -0.491 40.347 40.800 0.064 0.000 0.957 136 D HN 0.510 nan 8.370 nan 0.000 0.484 137 G N 0.020 108.829 108.800 0.015 0.000 2.448 137 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.219 137 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.219 137 G C 1.303 175.859 174.900 -0.573 0.000 1.127 137 G CA 0.080 45.059 45.100 -0.201 0.000 0.766 137 G HN 0.243 nan 8.290 nan 0.000 0.552 138 F N -0.856 118.929 119.950 -0.276 0.000 2.494 138 F HA 0.042 4.565 4.527 -0.006 0.000 0.298 138 F C 2.211 178.061 175.800 0.083 0.000 1.106 138 F CA 0.221 58.103 58.000 -0.196 0.000 1.452 138 F CB -0.041 38.894 39.000 -0.108 0.000 1.085 138 F HN 0.248 nan 8.300 nan 0.000 0.569 139 W N 2.239 123.580 121.300 0.068 0.000 2.525 139 W HA -0.144 4.514 4.660 -0.004 0.000 0.259 139 W C 2.100 178.665 176.519 0.077 0.000 1.253 139 W CA 1.258 58.651 57.345 0.081 0.000 1.262 139 W CB -0.044 29.445 29.460 0.048 0.000 1.122 139 W HN 0.177 nan 8.180 nan 0.000 0.607 140 I N -2.022 118.527 120.570 -0.035 0.000 2.567 140 I HA -0.302 3.865 4.170 -0.005 0.000 0.257 140 I C 1.543 177.557 176.117 -0.173 0.000 1.184 140 I CA 1.405 62.624 61.300 -0.136 0.000 1.451 140 I CB -1.338 36.561 38.000 -0.169 0.000 1.089 140 I HN -0.161 nan 8.210 nan 0.000 0.441 141 Y N 1.477 121.682 120.300 -0.159 0.000 2.574 141 Y HA -0.133 4.414 4.550 -0.005 0.000 0.294 141 Y C 3.044 178.835 175.900 -0.182 0.000 1.142 141 Y CA 1.378 59.430 58.100 -0.081 0.000 1.314 141 Y CB -0.404 38.041 38.460 -0.025 0.000 0.991 141 Y HN 0.318 nan 8.280 nan 0.000 0.555 142 S N -0.072 115.407 115.700 -0.368 0.000 2.345 142 S HA -0.221 4.246 4.470 -0.005 0.000 0.219 142 S C 2.123 176.566 174.600 -0.262 0.000 1.031 142 S CA 1.417 59.287 58.200 -0.551 0.000 0.984 142 S CB -0.301 62.053 63.200 -1.410 0.000 0.874 142 S HN 0.599 nan 8.310 nan 0.000 0.451 143 E N -0.885 119.182 120.200 -0.223 0.000 2.070 143 E HA -0.245 4.102 4.350 -0.005 0.000 0.197 143 E C 1.922 178.513 176.600 -0.014 0.000 1.004 143 E CA 1.608 57.963 56.400 -0.076 0.000 0.805 143 E CB -0.419 29.258 29.700 -0.038 0.000 0.744 143 E HN 0.733 nan 8.360 nan 0.000 0.451 144 Y N 0.726 120.975 120.300 -0.084 0.000 2.128 144 Y HA -0.314 4.232 4.550 -0.006 0.000 0.284 144 Y C 2.505 178.419 175.900 0.023 0.000 1.154 144 Y CA 1.988 60.074 58.100 -0.023 0.000 1.149 144 Y CB -0.461 37.966 38.460 -0.056 0.000 0.976 144 Y HN 0.224 nan 8.280 nan 0.000 0.505 145 C N 0.132 119.487 119.300 0.093 0.000 2.440 145 C HA -0.159 4.298 4.460 -0.005 0.000 0.278 145 C C 2.369 177.350 174.990 -0.015 0.000 1.295 145 C CA 1.355 60.393 59.018 0.033 0.000 1.738 145 C CB -1.612 26.147 27.740 0.032 0.000 1.987 145 C HN 0.622 nan 8.230 nan 0.000 0.492 146 N N 0.976 119.656 118.700 -0.033 0.000 2.223 146 N HA -0.112 4.625 4.740 -0.005 0.000 0.185 146 N C 0.894 176.383 175.510 -0.036 0.000 1.016 146 N CA 1.136 54.171 53.050 -0.024 0.000 0.863 146 N CB -0.281 38.197 38.487 -0.014 0.000 0.983 146 N HN 0.681 nan 8.380 nan 0.000 0.429 147 N N -0.974 117.681 118.700 -0.075 0.000 2.230 147 N HA 0.017 4.754 4.740 -0.005 0.000 0.202 147 N C 0.858 176.274 175.510 -0.156 0.000 1.119 147 N CA -0.137 52.850 53.050 -0.105 0.000 0.851 147 N CB 0.318 38.739 38.487 -0.110 0.000 0.990 147 N HN 0.246 nan 8.380 nan 0.000 0.497 148 H N 0.835 119.762 119.070 -0.239 0.000 2.423 148 H HA 0.099 4.652 4.556 -0.005 0.000 0.297 148 H C 1.870 177.094 175.328 -0.174 0.000 1.075 148 H CA 1.167 57.053 56.048 -0.270 0.000 1.342 148 H CB 0.208 29.825 29.762 -0.242 0.000 1.395 148 H HN 0.108 nan 8.280 nan 0.000 0.530 149 L N 0.489 121.672 121.223 -0.067 0.000 2.179 149 L HA -0.117 4.220 4.340 -0.005 0.000 0.208 149 L C 1.219 178.005 176.870 -0.140 0.000 1.096 149 L CA 1.431 56.223 54.840 -0.081 0.000 0.779 149 L CB -0.627 41.421 42.059 -0.018 0.000 0.922 149 L HN 0.408 nan 8.230 nan 0.000 0.443 150 D N 0.226 120.545 120.400 -0.135 0.000 2.158 150 D HA -0.182 4.455 4.640 -0.005 0.000 0.197 150 D C 2.153 178.337 176.300 -0.192 0.000 0.995 150 D CA 1.409 55.328 54.000 -0.135 0.000 0.846 150 D CB 0.155 40.891 40.800 -0.107 0.000 0.941 150 D HN 0.325 nan 8.370 nan 0.000 0.456 151 A N 0.711 123.355 122.820 -0.294 0.000 1.858 151 A HA -0.199 4.118 4.320 -0.005 0.000 0.216 151 A C 2.615 179.982 177.584 -0.362 0.000 1.190 151 A CA 1.520 53.331 52.037 -0.376 0.000 0.617 151 A CB -1.065 17.597 19.000 -0.563 0.000 0.827 151 A HN 0.365 nan 8.150 nan 0.000 0.443 152 C N -0.814 118.245 119.300 -0.402 0.000 2.403 152 C HA -0.183 4.274 4.460 -0.005 0.000 0.277 152 C C 2.898 177.784 174.990 -0.173 0.000 1.248 152 C CA 1.521 60.382 59.018 -0.261 0.000 1.762 152 C CB -1.404 26.224 27.740 -0.186 0.000 2.014 152 C HN 0.637 nan 8.230 nan 0.000 0.486 153 M N 0.063 119.573 119.600 -0.151 0.000 2.099 153 M HA -0.133 4.344 4.480 -0.005 0.000 0.262 153 M C 2.276 178.510 176.300 -0.109 0.000 1.067 153 M CA 1.718 56.954 55.300 -0.107 0.000 1.124 153 M CB -0.533 32.014 32.600 -0.087 0.000 1.353 153 M HN 0.301 nan 8.290 nan 0.000 0.410 154 E N 1.077 121.201 120.200 -0.127 0.000 2.051 154 E HA -0.137 4.210 4.350 -0.005 0.000 0.192 154 E C 1.808 178.334 176.600 -0.124 0.000 0.991 154 E CA 1.442 57.772 56.400 -0.117 0.000 0.799 154 E CB -0.421 29.213 29.700 -0.111 0.000 0.748 154 E HN 0.427 nan 8.360 nan 0.000 0.449 155 L N -0.015 121.114 121.223 -0.158 0.000 2.042 155 L HA -0.203 4.133 4.340 -0.005 0.000 0.210 155 L C 2.530 179.342 176.870 -0.097 0.000 1.076 155 L CA 1.480 56.227 54.840 -0.154 0.000 0.749 155 L CB -0.445 41.466 42.059 -0.247 0.000 0.893 155 L HN 0.120 nan 8.230 nan 0.000 0.432 156 S N -0.587 115.057 115.700 -0.092 0.000 2.383 156 S HA -0.225 4.242 4.470 -0.005 0.000 0.229 156 S C 1.968 176.539 174.600 -0.048 0.000 1.030 156 S CA 1.374 59.539 58.200 -0.057 0.000 1.002 156 S CB -0.094 63.074 63.200 -0.054 0.000 0.829 156 S HN 0.284 nan 8.310 nan 0.000 0.467 157 K N 0.780 121.138 120.400 -0.071 0.000 2.057 157 K HA 0.106 4.423 4.320 -0.005 0.000 0.206 157 K C 1.873 178.412 176.600 -0.102 0.000 1.050 157 K CA 0.895 57.135 56.287 -0.078 0.000 0.935 157 K CB -0.153 32.291 32.500 -0.093 0.000 0.715 157 K HN 0.264 nan 8.250 nan 0.000 0.439 158 L N 0.144 121.281 121.223 -0.143 0.000 2.156 158 L HA -0.074 4.263 4.340 -0.005 0.000 0.208 158 L C 1.987 178.839 176.870 -0.031 0.000 1.095 158 L CA 0.492 55.174 54.840 -0.264 0.000 0.770 158 L CB -0.209 41.647 42.059 -0.338 0.000 0.914 158 L HN 0.259 nan 8.230 nan 0.000 0.439 159 M N -0.483 119.149 119.600 0.054 0.000 2.686 159 M HA -0.076 4.401 4.480 -0.005 0.000 0.246 159 M C 1.495 177.851 176.300 0.093 0.000 1.096 159 M CA 0.930 56.307 55.300 0.129 0.000 1.076 159 M CB -0.635 32.026 32.600 0.103 0.000 1.504 159 M HN 0.009 nan 8.290 nan 0.000 0.524 160 K N 0.421 120.850 120.400 0.048 0.000 2.432 160 K HA 0.026 4.343 4.320 -0.005 0.000 0.196 160 K C 0.228 176.861 176.600 0.054 0.000 1.038 160 K CA 0.435 56.746 56.287 0.039 0.000 0.986 160 K CB -0.218 32.289 32.500 0.011 0.000 0.782 160 K HN 0.199 nan 8.250 nan 0.000 0.485 161 D N -0.637 119.816 120.400 0.089 0.000 2.408 161 D HA 0.060 4.697 4.640 -0.005 0.000 0.243 161 D C 0.761 177.129 176.300 0.114 0.000 1.075 161 D CA -0.153 53.911 54.000 0.107 0.000 0.832 161 D CB 1.507 42.416 40.800 0.181 0.000 1.162 161 D HN -0.032 nan 8.370 nan 0.000 0.515 162 S N 4.250 119.950 115.700 0.000 0.000 2.447 162 S HA -0.121 4.346 4.470 -0.005 0.000 0.233 162 S C 1.709 176.148 174.600 -0.268 0.000 1.006 162 S CA 0.457 58.576 58.200 -0.135 0.000 0.957 162 S CB -0.042 63.019 63.200 -0.232 0.000 0.773 162 S HN 0.491 nan 8.310 nan 0.000 0.507 163 R N -0.199 120.191 120.500 -0.184 0.000 2.096 163 R HA -0.119 4.218 4.340 -0.005 0.000 0.240 163 R C 1.964 178.137 176.300 -0.211 0.000 1.139 163 R CA 2.165 58.110 56.100 -0.258 0.000 0.952 163 R CB -0.535 29.532 30.300 -0.389 0.000 0.854 163 R HN 0.606 nan 8.270 nan 0.000 0.436 164 Y N 0.215 120.484 120.300 -0.051 0.000 2.314 164 Y HA -0.071 4.476 4.550 -0.005 0.000 0.294 164 Y C 2.600 178.620 175.900 0.199 0.000 1.119 164 Y CA 0.770 58.860 58.100 -0.016 0.000 1.179 164 Y CB -0.156 38.314 38.460 0.016 0.000 1.025 164 Y HN 0.078 nan 8.280 nan 0.000 0.541 165 Q N -0.562 119.476 119.800 0.395 0.000 2.045 165 Q HA -0.246 4.090 4.340 -0.005 0.000 0.206 165 Q C 1.885 178.160 176.000 0.458 0.000 0.991 165 Q CA 2.013 58.071 55.803 0.425 0.000 0.851 165 Q CB -0.212 28.735 28.738 0.348 0.000 0.911 165 Q HN 0.552 nan 8.270 nan 0.000 0.418 166 H N -1.097 118.079 119.070 0.177 0.000 2.389 166 H HA -0.106 4.447 4.556 -0.006 0.000 0.299 166 H C 1.504 176.917 175.328 0.141 0.000 1.081 166 H CA 1.126 57.254 56.048 0.132 0.000 1.345 166 H CB -0.490 29.322 29.762 0.084 0.000 1.393 166 H HN 0.251 nan 8.280 nan 0.000 0.520 167 F N 0.340 120.360 119.950 0.116 0.000 2.095 167 F HA -0.197 4.327 4.527 -0.006 0.000 0.298 167 F C 1.953 177.822 175.800 0.115 0.000 1.104 167 F CA 1.374 59.381 58.000 0.012 0.000 1.232 167 F CB -0.662 38.234 39.000 -0.173 0.000 0.987 167 F HN 0.067 nan 8.300 nan 0.000 0.475 168 F N 0.275 120.432 119.950 0.346 0.000 2.186 168 F HA -0.150 4.374 4.527 -0.005 0.000 0.299 168 F C 2.463 178.379 175.800 0.193 0.000 1.090 168 F CA 1.030 59.209 58.000 0.297 0.000 1.307 168 F CB -0.417 38.794 39.000 0.351 0.000 1.019 168 F HN 0.048 nan 8.300 nan 0.000 0.489 169 E N 1.005 121.387 120.200 0.303 0.000 2.047 169 E HA -0.156 4.190 4.350 -0.005 0.000 0.191 169 E C 2.150 178.781 176.600 0.052 0.000 0.987 169 E CA 1.315 57.816 56.400 0.169 0.000 0.799 169 E CB -0.402 29.367 29.700 0.116 0.000 0.752 169 E HN 0.213 nan 8.360 nan 0.000 0.449 170 A N 0.296 123.116 122.820 -0.001 0.000 1.884 170 A HA -0.295 4.021 4.320 -0.005 0.000 0.219 170 A C 2.625 180.114 177.584 -0.158 0.000 1.197 170 A CA 1.899 53.883 52.037 -0.088 0.000 0.637 170 A CB -1.327 17.607 19.000 -0.110 0.000 0.827 170 A HN 0.538 nan 8.150 nan 0.000 0.450 171 C N -1.323 117.836 119.300 -0.235 0.000 2.413 171 C HA -0.101 4.356 4.460 -0.005 0.000 0.276 171 C C 2.837 177.621 174.990 -0.343 0.000 1.248 171 C CA 1.277 60.105 59.018 -0.316 0.000 1.742 171 C CB -1.361 26.187 27.740 -0.320 0.000 2.017 171 C HN 0.716 nan 8.230 nan 0.000 0.481 172 R N 0.496 120.872 120.500 -0.205 0.000 2.092 172 R HA -0.044 4.293 4.340 -0.005 0.000 0.231 172 R C 2.093 178.308 176.300 -0.141 0.000 1.119 172 R CA 1.250 57.232 56.100 -0.198 0.000 0.970 172 R CB -0.272 30.053 30.300 0.041 0.000 0.864 172 R HN 0.498 nan 8.270 nan 0.000 0.440 173 L N 0.474 121.644 121.223 -0.089 0.000 2.056 173 L HA -0.180 4.157 4.340 -0.005 0.000 0.207 173 L C 2.177 178.991 176.870 -0.094 0.000 1.078 173 L CA 0.617 55.416 54.840 -0.068 0.000 0.749 173 L CB -0.290 41.740 42.059 -0.048 0.000 0.901 173 L HN 0.237 nan 8.230 nan 0.000 0.433 174 L N -0.595 120.552 121.223 -0.125 0.000 2.179 174 L HA -0.126 4.211 4.340 -0.005 0.000 0.208 174 L C 2.269 179.054 176.870 -0.141 0.000 1.096 174 L CA 1.441 56.208 54.840 -0.122 0.000 0.779 174 L CB -0.939 41.043 42.059 -0.128 0.000 0.922 174 L HN 0.261 nan 8.230 nan 0.000 0.443 175 Q N 0.172 119.853 119.800 -0.199 0.000 2.444 175 Q HA -0.045 4.291 4.340 -0.005 0.000 0.206 175 Q C 0.212 176.112 176.000 -0.167 0.000 0.948 175 Q CA 0.219 55.895 55.803 -0.212 0.000 0.946 175 Q CB -0.002 28.539 28.738 -0.328 0.000 1.027 175 Q HN 0.413 nan 8.270 nan 0.000 0.513 176 Q N -0.477 119.248 119.800 -0.126 0.000 2.478 176 Q HA -0.216 4.120 4.340 -0.005 0.000 0.286 176 Q C -0.869 175.093 176.000 -0.063 0.000 1.299 176 Q CA 0.624 56.381 55.803 -0.078 0.000 0.826 176 Q CB -1.852 26.847 28.738 -0.064 0.000 1.199 176 Q HN 0.433 nan 8.270 nan 0.000 0.451 177 M N 0.622 120.171 119.600 -0.084 0.000 2.359 177 M HA 0.488 4.965 4.480 -0.005 0.000 0.322 177 M C 0.985 177.353 176.300 0.115 0.000 1.166 177 M CA -0.760 54.525 55.300 -0.024 0.000 1.067 177 M CB 0.854 33.303 32.600 -0.252 0.000 1.523 177 M HN 0.265 nan 8.290 nan 0.000 0.467 178 I N -1.630 119.092 120.570 0.254 0.000 3.246 178 I HA 0.054 4.221 4.170 -0.005 0.000 0.280 178 I C 0.276 176.543 176.117 0.250 0.000 1.239 178 I CA -0.233 61.197 61.300 0.217 0.000 1.336 178 I CB 0.264 38.386 38.000 0.202 0.000 1.383 178 I HN 0.574 nan 8.210 nan 0.000 0.617 179 D N 3.413 123.912 120.400 0.164 0.000 2.934 179 D HA 0.278 4.915 4.640 -0.005 0.000 0.237 179 D C -0.495 175.895 176.300 0.150 0.000 1.158 179 D CA -0.007 54.082 54.000 0.148 0.000 0.971 179 D CB -0.277 40.578 40.800 0.091 0.000 1.123 179 D HN 0.297 nan 8.370 nan 0.000 0.467 180 I N 1.291 122.000 120.570 0.232 0.000 2.441 180 I HA 0.408 4.575 4.170 -0.005 0.000 0.295 180 I C 0.831 177.133 176.117 0.308 0.000 0.994 180 I CA -1.086 60.313 61.300 0.166 0.000 1.144 180 I CB 1.137 39.115 38.000 -0.037 0.000 1.314 180 I HN 0.025 nan 8.210 nan 0.000 0.445 181 A N 5.870 128.810 122.820 0.201 0.000 2.267 181 A HA 0.310 4.627 4.320 -0.005 0.000 0.271 181 A C 1.417 179.133 177.584 0.221 0.000 1.131 181 A CA -0.194 51.965 52.037 0.203 0.000 0.818 181 A CB 0.258 19.319 19.000 0.102 0.000 1.118 181 A HN 0.840 nan 8.150 nan 0.000 0.501 182 I N -0.595 119.990 120.570 0.024 0.000 2.361 182 I HA -0.206 3.960 4.170 -0.005 0.000 0.251 182 I C 1.817 177.867 176.117 -0.112 0.000 1.133 182 I CA 2.316 63.489 61.300 -0.212 0.000 1.413 182 I CB -0.294 37.120 38.000 -0.977 0.000 1.073 182 I HN 0.856 nan 8.210 nan 0.000 0.424 183 D N 0.458 120.789 120.400 -0.115 0.000 2.144 183 D HA -0.163 4.474 4.640 -0.005 0.000 0.199 183 D C 2.120 178.445 176.300 0.043 0.000 0.984 183 D CA 1.419 55.379 54.000 -0.067 0.000 0.834 183 D CB -1.248 39.499 40.800 -0.087 0.000 0.955 183 D HN 0.397 nan 8.370 nan 0.000 0.465 184 G N -0.028 108.796 108.800 0.041 0.000 2.446 184 G HA2 -0.259 3.698 3.960 -0.005 0.000 0.217 184 G HA3 -0.259 3.698 3.960 -0.005 0.000 0.217 184 G C 1.532 176.410 174.900 -0.036 0.000 1.168 184 G CA 0.636 45.725 45.100 -0.017 0.000 0.771 184 G HN 0.274 nan 8.290 nan 0.000 0.551 185 F N 0.496 120.483 119.950 0.061 0.000 2.171 185 F HA 0.087 4.610 4.527 -0.006 0.000 0.300 185 F C 2.521 178.396 175.800 0.125 0.000 1.090 185 F CA 0.699 58.759 58.000 0.100 0.000 1.293 185 F CB -0.083 39.027 39.000 0.183 0.000 1.013 185 F HN 0.014 nan 8.300 nan 0.000 0.486 186 L N -0.631 120.766 121.223 0.291 0.000 2.465 186 L HA -0.135 4.202 4.340 -0.005 0.000 0.224 186 L C 2.042 179.175 176.870 0.439 0.000 1.145 186 L CA 0.198 55.252 54.840 0.356 0.000 0.834 186 L CB -0.323 41.882 42.059 0.242 0.000 0.944 186 L HN 0.200 nan 8.230 nan 0.000 0.451 187 L N -0.408 120.952 121.223 0.229 0.000 2.418 187 L HA -0.085 4.252 4.340 -0.005 0.000 0.218 187 L C 2.555 179.444 176.870 0.030 0.000 1.125 187 L CA 1.539 56.402 54.840 0.038 0.000 0.835 187 L CB -0.466 41.582 42.059 -0.018 0.000 0.953 187 L HN 0.322 nan 8.230 nan 0.000 0.454 188 T N -2.699 111.896 114.554 0.069 0.000 2.720 188 T HA -0.097 4.250 4.350 -0.005 0.000 0.268 188 T C -0.250 174.518 174.700 0.114 0.000 1.037 188 T CA 1.262 63.392 62.100 0.050 0.000 1.144 188 T CB -1.866 67.046 68.868 0.074 0.000 0.864 188 T HN 0.231 nan 8.240 nan 0.000 0.444 189 P HA -0.011 nan 4.420 nan 0.000 0.215 189 P C 1.871 179.298 177.300 0.211 0.000 1.153 189 P CA 0.645 63.900 63.100 0.257 0.000 0.853 189 P CB -0.345 31.207 31.700 -0.247 0.000 0.788 190 V N -0.097 119.901 119.914 0.139 0.000 2.332 190 V HA -0.300 3.817 4.120 -0.005 0.000 0.248 190 V C 2.419 178.482 176.094 -0.052 0.000 1.055 190 V CA 1.977 64.308 62.300 0.052 0.000 1.038 190 V CB -1.516 30.276 31.823 -0.052 0.000 0.651 190 V HN 0.203 nan 8.190 nan 0.000 0.450 191 Q N -0.225 119.520 119.800 -0.092 0.000 2.123 191 Q HA -0.199 4.138 4.340 -0.005 0.000 0.199 191 Q C 2.307 178.165 176.000 -0.237 0.000 0.966 191 Q CA 1.255 56.969 55.803 -0.148 0.000 0.845 191 Q CB -0.255 28.394 28.738 -0.148 0.000 0.907 191 Q HN 0.413 nan 8.270 nan 0.000 0.439 192 K N 1.531 121.749 120.400 -0.303 0.000 2.057 192 K HA -0.141 4.175 4.320 -0.005 0.000 0.207 192 K C 1.675 177.916 176.600 -0.597 0.000 1.049 192 K CA 0.997 56.950 56.287 -0.557 0.000 0.931 192 K CB -0.453 31.546 32.500 -0.834 0.000 0.714 192 K HN 0.147 nan 8.250 nan 0.000 0.440 193 I N 0.294 120.625 120.570 -0.399 0.000 2.614 193 I HA -0.203 3.964 4.170 -0.005 0.000 0.258 193 I C 1.362 177.344 176.117 -0.226 0.000 1.189 193 I CA 1.002 62.081 61.300 -0.368 0.000 1.462 193 I CB -0.232 37.514 38.000 -0.423 0.000 1.092 193 I HN 0.206 nan 8.210 nan 0.000 0.442 194 C N -0.281 118.893 119.300 -0.209 0.000 2.563 194 C HA 0.054 4.510 4.460 -0.005 0.000 0.268 194 C C 2.437 177.321 174.990 -0.176 0.000 1.365 194 C CA 0.096 59.020 59.018 -0.156 0.000 1.754 194 C CB -1.052 26.614 27.740 -0.124 0.000 1.932 194 C HN 0.397 nan 8.230 nan 0.000 0.536 195 K N -0.279 119.958 120.400 -0.272 0.000 2.262 195 K HA 0.038 4.355 4.320 -0.005 0.000 0.200 195 K C 1.462 177.944 176.600 -0.196 0.000 1.049 195 K CA 0.932 57.069 56.287 -0.250 0.000 0.979 195 K CB -0.150 32.163 32.500 -0.312 0.000 0.773 195 K HN 0.563 nan 8.250 nan 0.000 0.474 196 Y N 0.844 121.062 120.300 -0.136 0.000 2.165 196 Y HA -0.189 4.358 4.550 -0.005 0.000 0.286 196 Y C -0.785 175.002 175.900 -0.188 0.000 1.155 196 Y CA 0.890 58.909 58.100 -0.136 0.000 1.164 196 Y CB -1.149 37.211 38.460 -0.167 0.000 0.978 196 Y HN 0.116 nan 8.280 nan 0.000 0.513 197 P HA -0.193 nan 4.420 nan 0.000 0.218 197 P C 1.452 178.705 177.300 -0.078 0.000 1.148 197 P CA 1.469 64.517 63.100 -0.087 0.000 0.822 197 P CB -0.025 31.622 31.700 -0.087 0.000 0.784 198 L N -1.037 120.149 121.223 -0.062 0.000 2.056 198 L HA -0.184 4.153 4.340 -0.005 0.000 0.207 198 L C 2.542 179.393 176.870 -0.032 0.000 1.078 198 L CA 1.561 56.371 54.840 -0.051 0.000 0.749 198 L CB -0.678 41.349 42.059 -0.053 0.000 0.901 198 L HN 0.025 nan 8.230 nan 0.000 0.433 199 Q N -0.348 119.442 119.800 -0.016 0.000 2.119 199 Q HA -0.170 4.166 4.340 -0.005 0.000 0.201 199 Q C 2.300 178.296 176.000 -0.007 0.000 0.972 199 Q CA 1.173 56.988 55.803 0.020 0.000 0.847 199 Q CB -0.023 28.763 28.738 0.080 0.000 0.903 199 Q HN 0.500 nan 8.270 nan 0.000 0.433 200 L N 0.029 121.205 121.223 -0.079 0.000 2.156 200 L HA -0.098 4.238 4.340 -0.005 0.000 0.208 200 L C 2.468 179.269 176.870 -0.116 0.000 1.095 200 L CA 0.694 55.445 54.840 -0.149 0.000 0.770 200 L CB -0.484 41.398 42.059 -0.295 0.000 0.914 200 L HN 0.191 nan 8.230 nan 0.000 0.439 201 A N 0.140 122.902 122.820 -0.098 0.000 1.933 201 A HA -0.269 4.048 4.320 -0.005 0.000 0.218 201 A C 2.200 179.744 177.584 -0.068 0.000 1.175 201 A CA 2.039 54.022 52.037 -0.090 0.000 0.628 201 A CB -0.425 18.529 19.000 -0.077 0.000 0.814 201 A HN 0.417 nan 8.150 nan 0.000 0.444 202 E N -0.421 119.767 120.200 -0.020 0.000 2.072 202 E HA -0.143 4.204 4.350 -0.005 0.000 0.191 202 E C 1.779 178.441 176.600 0.103 0.000 0.985 202 E CA 1.162 57.589 56.400 0.044 0.000 0.801 202 E CB -0.348 29.408 29.700 0.094 0.000 0.750 202 E HN 0.400 nan 8.360 nan 0.000 0.452 203 L N 0.138 121.403 121.223 0.070 0.000 2.017 203 L HA -0.092 4.244 4.340 -0.005 0.000 0.208 203 L C 2.191 179.079 176.870 0.029 0.000 1.073 203 L CA 1.591 56.481 54.840 0.084 0.000 0.745 203 L CB -0.816 41.264 42.059 0.035 0.000 0.894 203 L HN 0.352 nan 8.230 nan 0.000 0.432 204 L N 0.153 121.333 121.223 -0.071 0.000 2.042 204 L HA -0.249 4.088 4.340 -0.005 0.000 0.210 204 L C 2.618 179.445 176.870 -0.071 0.000 1.076 204 L CA 2.286 57.044 54.840 -0.135 0.000 0.749 204 L CB -0.826 41.101 42.059 -0.219 0.000 0.893 204 L HN 0.475 nan 8.230 nan 0.000 0.432 205 K N -1.639 118.674 120.400 -0.146 0.000 2.209 205 K HA -0.211 4.106 4.320 -0.005 0.000 0.204 205 K C 1.087 177.445 176.600 -0.403 0.000 1.048 205 K CA 1.666 57.773 56.287 -0.300 0.000 0.940 205 K CB -0.267 31.949 32.500 -0.474 0.000 0.729 205 K HN 0.479 nan 8.250 nan 0.000 0.451 206 Y N 0.409 120.752 120.300 0.072 0.000 2.571 206 Y HA 0.180 4.727 4.550 -0.005 0.000 0.275 206 Y C -0.214 175.771 175.900 0.143 0.000 1.179 206 Y CA -0.528 57.629 58.100 0.095 0.000 1.242 206 Y CB 1.077 39.586 38.460 0.081 0.000 1.126 206 Y HN -0.153 nan 8.280 nan 0.000 0.524 207 T N 1.466 116.164 114.554 0.240 0.000 2.772 207 T HA 0.581 4.928 4.350 -0.005 0.000 0.288 207 T C 0.218 175.125 174.700 0.346 0.000 0.994 207 T CA -0.741 61.533 62.100 0.290 0.000 0.951 207 T CB 0.885 69.859 68.868 0.176 0.000 0.933 207 T HN 0.301 nan 8.240 nan 0.000 0.447 208 A N 3.225 126.224 122.820 0.300 0.000 2.520 208 A HA 0.124 4.441 4.320 -0.005 0.000 0.235 208 A C 1.509 179.158 177.584 0.110 0.000 1.065 208 A CA -0.055 52.090 52.037 0.180 0.000 0.764 208 A CB 0.105 19.190 19.000 0.142 0.000 1.002 208 A HN 0.934 nan 8.150 nan 0.000 0.502 209 Q N 0.454 120.150 119.800 -0.173 0.000 2.152 209 Q HA -0.202 4.134 4.340 -0.005 0.000 0.206 209 Q C 1.142 177.052 176.000 -0.150 0.000 0.985 209 Q CA 2.189 57.706 55.803 -0.477 0.000 0.863 209 Q CB -0.070 28.382 28.738 -0.476 0.000 0.904 209 Q HN 0.955 nan 8.270 nan 0.000 0.422 210 D N -1.097 119.290 120.400 -0.021 0.000 2.324 210 D HA -0.111 4.526 4.640 -0.005 0.000 0.235 210 D C 0.013 176.396 176.300 0.139 0.000 1.095 210 D CA 0.014 54.041 54.000 0.045 0.000 0.871 210 D CB -0.318 40.493 40.800 0.018 0.000 0.906 210 D HN 0.164 nan 8.370 nan 0.000 0.522 211 H N 1.330 120.458 119.070 0.096 0.000 2.732 211 H HA 0.095 4.647 4.556 -0.006 0.000 0.351 211 H C 1.472 176.877 175.328 0.128 0.000 1.090 211 H CA 0.495 56.606 56.048 0.106 0.000 1.431 211 H CB 1.630 31.473 29.762 0.135 0.000 1.447 211 H HN 0.004 nan 8.280 nan 0.000 0.582 212 S N 2.198 118.225 115.700 0.545 0.000 2.440 212 S HA -0.192 4.275 4.470 -0.005 0.000 0.240 212 S C 1.286 176.101 174.600 0.358 0.000 1.014 212 S CA 1.687 60.106 58.200 0.366 0.000 0.980 212 S CB 0.092 63.435 63.200 0.237 0.000 0.775 212 S HN 0.673 nan 8.310 nan 0.000 0.499 213 D N -0.646 119.882 120.400 0.213 0.000 2.366 213 D HA 0.128 4.765 4.640 -0.005 0.000 0.205 213 D C 1.297 177.635 176.300 0.063 0.000 1.022 213 D CA -0.030 53.969 54.000 -0.001 0.000 0.868 213 D CB -0.277 40.268 40.800 -0.425 0.000 0.953 213 D HN 0.523 nan 8.370 nan 0.000 0.514 214 Y N 1.446 121.755 120.300 0.015 0.000 2.053 214 Y HA -0.233 4.313 4.550 -0.006 0.000 0.277 214 Y C 2.098 177.991 175.900 -0.013 0.000 1.159 214 Y CA 1.970 60.069 58.100 -0.001 0.000 1.125 214 Y CB 0.079 38.558 38.460 0.032 0.000 0.969 214 Y HN -0.166 nan 8.280 nan 0.000 0.492 215 R N -1.383 119.212 120.500 0.159 0.000 2.148 215 R HA -0.149 4.188 4.340 -0.005 0.000 0.227 215 R C 1.935 178.130 176.300 -0.175 0.000 1.103 215 R CA 1.663 57.750 56.100 -0.022 0.000 0.983 215 R CB -0.455 29.797 30.300 -0.079 0.000 0.874 215 R HN 0.464 nan 8.270 nan 0.000 0.451 216 Y N -0.707 119.580 120.300 -0.022 0.000 2.286 216 Y HA -0.137 4.411 4.550 -0.004 0.000 0.293 216 Y C 2.248 178.102 175.900 -0.076 0.000 1.124 216 Y CA 0.750 58.836 58.100 -0.023 0.000 1.178 216 Y CB -0.042 38.423 38.460 0.009 0.000 1.010 216 Y HN -0.185 nan 8.280 nan 0.000 0.536 217 V N -0.325 119.581 119.914 -0.013 0.000 2.358 217 V HA -0.292 3.825 4.120 -0.005 0.000 0.246 217 V C 2.469 178.437 176.094 -0.211 0.000 1.047 217 V CA 1.626 63.846 62.300 -0.133 0.000 1.035 217 V CB -1.279 30.415 31.823 -0.215 0.000 0.658 217 V HN 0.442 nan 8.190 nan 0.000 0.452 218 A N 0.238 122.878 122.820 -0.301 0.000 1.902 218 A HA -0.105 4.212 4.320 -0.005 0.000 0.217 218 A C 2.411 179.903 177.584 -0.153 0.000 1.181 218 A CA 2.084 53.954 52.037 -0.278 0.000 0.623 218 A CB -0.784 18.036 19.000 -0.300 0.000 0.818 218 A HN 0.564 nan 8.150 nan 0.000 0.443 219 A N -0.372 122.384 122.820 -0.107 0.000 1.969 219 A HA 0.231 4.548 4.320 -0.005 0.000 0.218 219 A C 2.424 179.983 177.584 -0.043 0.000 1.169 219 A CA 1.832 53.833 52.037 -0.060 0.000 0.635 219 A CB -0.802 18.174 19.000 -0.039 0.000 0.810 219 A HN 0.994 nan 8.150 nan 0.000 0.445 220 A N -0.468 122.325 122.820 -0.044 0.000 1.929 220 A HA 0.058 4.375 4.320 -0.005 0.000 0.216 220 A C 2.063 179.538 177.584 -0.180 0.000 1.176 220 A CA 1.540 53.538 52.037 -0.067 0.000 0.628 220 A CB -0.537 18.418 19.000 -0.074 0.000 0.816 220 A HN 0.611 nan 8.150 nan 0.000 0.444 221 L N 0.132 121.237 121.223 -0.197 0.000 1.989 221 L HA -0.120 4.217 4.340 -0.005 0.000 0.211 221 L C 2.673 179.458 176.870 -0.142 0.000 1.071 221 L CA 2.417 57.141 54.840 -0.193 0.000 0.749 221 L CB -1.120 40.833 42.059 -0.177 0.000 0.890 221 L HN 0.347 nan 8.230 nan 0.000 0.431 222 A N -1.085 121.669 122.820 -0.110 0.000 1.892 222 A HA -0.198 4.119 4.320 -0.005 0.000 0.218 222 A C 2.310 179.851 177.584 -0.072 0.000 1.188 222 A CA 2.362 54.350 52.037 -0.081 0.000 0.631 222 A CB -1.277 17.685 19.000 -0.064 0.000 0.822 222 A HN 0.349 nan 8.150 nan 0.000 0.447 223 V N -0.143 119.733 119.914 -0.062 0.000 2.343 223 V HA -0.274 3.843 4.120 -0.005 0.000 0.247 223 V C 2.655 178.705 176.094 -0.075 0.000 1.051 223 V CA 2.046 64.323 62.300 -0.039 0.000 1.036 223 V CB -0.600 31.228 31.823 0.008 0.000 0.654 223 V HN 0.517 nan 8.190 nan 0.000 0.451 224 M N -0.955 118.561 119.600 -0.140 0.000 2.288 224 M HA -0.042 4.435 4.480 -0.005 0.000 0.266 224 M C 2.227 178.444 176.300 -0.138 0.000 1.072 224 M CA 1.336 56.514 55.300 -0.204 0.000 1.132 224 M CB -1.259 31.158 32.600 -0.304 0.000 1.386 224 M HN 0.249 nan 8.290 nan 0.000 0.432 225 R N 0.477 120.912 120.500 -0.110 0.000 2.083 225 R HA -0.194 4.143 4.340 -0.005 0.000 0.237 225 R C 2.035 178.302 176.300 -0.055 0.000 1.137 225 R CA 1.914 57.966 56.100 -0.080 0.000 0.951 225 R CB -0.473 29.782 30.300 -0.075 0.000 0.851 225 R HN 0.384 nan 8.270 nan 0.000 0.434 226 N N 0.083 118.754 118.700 -0.048 0.000 2.166 226 N HA -0.131 4.605 4.740 -0.005 0.000 0.186 226 N C 1.530 177.048 175.510 0.013 0.000 1.019 226 N CA 1.053 54.088 53.050 -0.024 0.000 0.856 226 N CB 0.009 38.478 38.487 -0.030 0.000 0.993 226 N HN -0.039 nan 8.380 nan 0.000 0.426 227 V N -0.110 119.813 119.914 0.014 0.000 2.287 227 V HA -0.241 3.876 4.120 -0.005 0.000 0.248 227 V C 2.116 178.271 176.094 0.103 0.000 1.053 227 V CA 2.212 64.570 62.300 0.096 0.000 1.027 227 V CB -0.973 30.860 31.823 0.018 0.000 0.646 227 V HN 0.473 nan 8.190 nan 0.000 0.447 228 T N -0.906 113.652 114.554 0.007 0.000 2.857 228 T HA -0.224 4.123 4.350 -0.005 0.000 0.266 228 T C 1.878 176.588 174.700 0.016 0.000 1.048 228 T CA 1.569 63.664 62.100 -0.007 0.000 1.139 228 T CB -0.208 68.629 68.868 -0.052 0.000 0.874 228 T HN 0.540 nan 8.240 nan 0.000 0.455 229 Q N 0.428 120.235 119.800 0.012 0.000 2.084 229 Q HA -0.160 4.176 4.340 -0.005 0.000 0.202 229 Q C 2.273 178.301 176.000 0.046 0.000 0.978 229 Q CA 1.101 56.909 55.803 0.009 0.000 0.844 229 Q CB -0.030 28.701 28.738 -0.012 0.000 0.898 229 Q HN 0.369 nan 8.270 nan 0.000 0.426 230 Q N 0.247 120.105 119.800 0.097 0.000 2.167 230 Q HA -0.073 4.264 4.340 -0.005 0.000 0.202 230 Q C 2.132 178.313 176.000 0.301 0.000 0.970 230 Q CA 0.909 56.817 55.803 0.176 0.000 0.855 230 Q CB -0.096 28.746 28.738 0.172 0.000 0.911 230 Q HN 0.507 nan 8.270 nan 0.000 0.438 231 I N 1.053 121.765 120.570 0.237 0.000 2.252 231 I HA -0.267 3.900 4.170 -0.005 0.000 0.245 231 I C 2.387 178.517 176.117 0.022 0.000 1.102 231 I CA 0.913 62.235 61.300 0.037 0.000 1.385 231 I CB -0.371 37.595 38.000 -0.057 0.000 1.064 231 I HN 0.292 nan 8.210 nan 0.000 0.414 232 N N 1.045 119.760 118.700 0.025 0.000 2.084 232 N HA -0.276 4.461 4.740 -0.005 0.000 0.190 232 N C 1.906 177.424 175.510 0.014 0.000 1.030 232 N CA 1.915 54.969 53.050 0.007 0.000 0.849 232 N CB 0.072 38.557 38.487 -0.003 0.000 1.012 232 N HN 0.418 nan 8.380 nan 0.000 0.423 233 E N 0.879 121.095 120.200 0.026 0.000 2.106 233 E HA -0.199 4.148 4.350 -0.005 0.000 0.192 233 E C 2.111 178.722 176.600 0.017 0.000 0.984 233 E CA 1.045 57.453 56.400 0.013 0.000 0.806 233 E CB -0.262 29.437 29.700 -0.002 0.000 0.750 233 E HN 0.166 nan 8.360 nan 0.000 0.458 234 R N 0.977 121.510 120.500 0.055 0.000 2.092 234 R HA -0.033 4.303 4.340 -0.005 0.000 0.231 234 R C 2.176 178.502 176.300 0.043 0.000 1.119 234 R CA 1.948 58.075 56.100 0.045 0.000 0.970 234 R CB -0.303 30.089 30.300 0.153 0.000 0.864 234 R HN 0.260 nan 8.270 nan 0.000 0.440 235 K N -0.010 120.408 120.400 0.030 0.000 2.025 235 K HA -0.144 4.172 4.320 -0.005 0.000 0.207 235 K C 2.202 178.819 176.600 0.029 0.000 1.049 235 K CA 1.422 57.723 56.287 0.024 0.000 0.933 235 K CB -0.182 32.321 32.500 0.005 0.000 0.714 235 K HN 0.107 nan 8.250 nan 0.000 0.438 236 R N 0.947 121.458 120.500 0.019 0.000 2.083 236 R HA -0.193 4.143 4.340 -0.005 0.000 0.237 236 R C 2.436 178.755 176.300 0.033 0.000 1.137 236 R CA 1.889 57.999 56.100 0.017 0.000 0.951 236 R CB -0.284 30.019 30.300 0.005 0.000 0.851 236 R HN 0.169 nan 8.270 nan 0.000 0.434 237 R N 0.110 120.632 120.500 0.037 0.000 2.083 237 R HA -0.154 4.183 4.340 -0.005 0.000 0.237 237 R C 2.078 178.440 176.300 0.103 0.000 1.137 237 R CA 1.544 57.682 56.100 0.063 0.000 0.951 237 R CB -0.203 30.119 30.300 0.037 0.000 0.851 237 R HN 0.202 nan 8.270 nan 0.000 0.434 238 L N 1.292 122.582 121.223 0.111 0.000 2.093 238 L HA -0.073 4.264 4.340 -0.005 0.000 0.208 238 L C 2.001 178.917 176.870 0.077 0.000 1.085 238 L CA 1.685 56.598 54.840 0.122 0.000 0.755 238 L CB -0.799 41.334 42.059 0.124 0.000 0.904 238 L HN 0.248 nan 8.230 nan 0.000 0.435 239 E N -0.801 119.432 120.200 0.056 0.000 2.274 239 E HA -0.125 4.221 4.350 -0.005 0.000 0.194 239 E C 1.176 177.799 176.600 0.039 0.000 0.996 239 E CA 0.531 56.954 56.400 0.038 0.000 0.840 239 E CB 0.019 29.734 29.700 0.025 0.000 0.772 239 E HN 0.424 nan 8.360 nan 0.000 0.491 240 N N 0.301 119.030 118.700 0.049 0.000 2.336 240 N HA 0.092 4.828 4.740 -0.005 0.000 0.189 240 N C 1.409 176.959 175.510 0.067 0.000 1.113 240 N CA 0.108 53.189 53.050 0.052 0.000 0.858 240 N CB 0.252 38.767 38.487 0.047 0.000 0.970 240 N HN 0.136 nan 8.380 nan 0.000 0.471 241 I N 0.844 121.455 120.570 0.069 0.000 2.091 241 I HA -0.314 3.853 4.170 -0.005 0.000 0.239 241 I C 1.978 178.123 176.117 0.047 0.000 1.061 241 I CA 1.306 62.645 61.300 0.066 0.000 1.317 241 I CB -0.135 37.903 38.000 0.062 0.000 1.031 241 I HN 0.059 nan 8.210 nan 0.000 0.401 242 D N 0.861 121.282 120.400 0.036 0.000 2.192 242 D HA -0.234 4.402 4.640 -0.005 0.000 0.189 242 D C 2.127 178.450 176.300 0.038 0.000 1.007 242 D CA 1.480 55.495 54.000 0.025 0.000 0.859 242 D CB -0.130 40.682 40.800 0.020 0.000 0.936 242 D HN 0.210 nan 8.370 nan 0.000 0.447 243 K N 0.242 120.674 120.400 0.054 0.000 2.148 243 K HA -0.048 4.269 4.320 -0.005 0.000 0.204 243 K C 2.439 179.113 176.600 0.124 0.000 1.050 243 K CA 0.266 56.600 56.287 0.078 0.000 0.942 243 K CB -0.388 32.154 32.500 0.070 0.000 0.724 243 K HN 0.367 nan 8.250 nan 0.000 0.446 244 I N 1.128 121.769 120.570 0.118 0.000 2.252 244 I HA -0.253 3.914 4.170 -0.005 0.000 0.245 244 I C 2.471 178.663 176.117 0.124 0.000 1.102 244 I CA 1.081 62.480 61.300 0.165 0.000 1.385 244 I CB -0.445 37.635 38.000 0.134 0.000 1.064 244 I HN 0.043 nan 8.210 nan 0.000 0.414 245 A N 0.343 123.181 122.820 0.030 0.000 1.883 245 A HA -0.292 4.025 4.320 -0.005 0.000 0.217 245 A C 2.246 179.796 177.584 -0.058 0.000 1.186 245 A CA 1.814 53.821 52.037 -0.050 0.000 0.624 245 A CB -0.714 18.254 19.000 -0.054 0.000 0.822 245 A HN 0.468 nan 8.150 nan 0.000 0.444 246 Q N -2.156 117.646 119.800 0.003 0.000 2.084 246 Q HA -0.231 4.105 4.340 -0.005 0.000 0.202 246 Q C 1.901 177.908 176.000 0.011 0.000 0.978 246 Q CA 1.753 57.554 55.803 -0.002 0.000 0.844 246 Q CB -0.286 28.469 28.738 0.027 0.000 0.898 246 Q HN 0.901 nan 8.270 nan 0.000 0.426 247 W N 1.554 122.804 121.300 -0.084 0.000 2.355 247 W HA -0.212 4.445 4.660 -0.005 0.000 0.309 247 W C 2.207 178.637 176.519 -0.149 0.000 1.206 247 W CA 1.723 59.020 57.345 -0.081 0.000 1.284 247 W CB -0.200 29.241 29.460 -0.032 0.000 1.145 247 W HN 0.109 nan 8.180 nan 0.000 0.502 248 Q N 0.205 119.870 119.800 -0.224 0.000 2.084 248 Q HA -0.208 4.129 4.340 -0.005 0.000 0.202 248 Q C 2.256 177.855 176.000 -0.669 0.000 0.978 248 Q CA 2.057 57.424 55.803 -0.728 0.000 0.844 248 Q CB -0.534 27.736 28.738 -0.780 0.000 0.898 248 Q HN 0.333 nan 8.270 nan 0.000 0.426 249 A N 0.564 123.132 122.820 -0.420 0.000 2.019 249 A HA -0.164 4.152 4.320 -0.005 0.000 0.219 249 A C 2.130 179.562 177.584 -0.255 0.000 1.164 249 A CA 1.770 53.626 52.037 -0.302 0.000 0.644 249 A CB -0.568 18.311 19.000 -0.200 0.000 0.805 249 A HN 0.581 nan 8.150 nan 0.000 0.449 250 S N -0.956 114.574 115.700 -0.284 0.000 2.489 250 S HA 0.118 4.584 4.470 -0.005 0.000 0.228 250 S C 0.518 174.940 174.600 -0.297 0.000 0.995 250 S CA 0.360 58.412 58.200 -0.247 0.000 0.934 250 S CB -0.594 62.481 63.200 -0.209 0.000 0.771 250 S HN 0.123 nan 8.310 nan 0.000 0.522 251 V N 3.615 123.285 119.914 -0.408 0.000 2.488 251 V HA 0.293 4.409 4.120 -0.005 0.000 0.277 251 V C 0.265 176.294 176.094 -0.108 0.000 1.046 251 V CA -0.515 61.599 62.300 -0.310 0.000 0.986 251 V CB 0.687 32.288 31.823 -0.371 0.000 0.989 251 V HN 0.436 nan 8.190 nan 0.000 0.475 252 L N 4.498 125.659 121.223 -0.103 0.000 2.418 252 L HA 0.460 4.797 4.340 -0.005 0.000 0.265 252 L C 0.577 177.544 176.870 0.160 0.000 1.143 252 L CA -0.528 54.310 54.840 -0.003 0.000 0.809 252 L CB 0.228 42.244 42.059 -0.071 0.000 1.124 252 L HN 0.622 nan 8.230 nan 0.000 0.456 253 D N -0.469 120.027 120.400 0.160 0.000 2.835 253 D HA -0.210 4.427 4.640 -0.005 0.000 0.230 253 D C -0.382 175.992 176.300 0.123 0.000 1.130 253 D CA 0.648 54.744 54.000 0.161 0.000 0.738 253 D CB -0.832 40.094 40.800 0.211 0.000 1.090 253 D HN 0.572 nan 8.370 nan 0.000 0.433 254 W N 1.261 122.488 121.300 -0.122 0.000 2.223 254 W HA 0.171 4.828 4.660 -0.006 0.000 0.334 254 W C 0.259 176.529 176.519 -0.415 0.000 1.334 254 W CA 0.662 57.790 57.345 -0.361 0.000 1.246 254 W CB 0.436 29.702 29.460 -0.322 0.000 1.184 254 W HN 0.029 nan 8.180 nan 0.000 0.563 255 E N 3.058 122.490 120.200 -1.280 0.000 2.248 255 E HA 0.573 4.920 4.350 -0.005 0.000 0.267 255 E C 0.157 176.320 176.600 -0.728 0.000 0.877 255 E CA -0.341 55.651 56.400 -0.680 0.000 0.759 255 E CB 1.739 31.267 29.700 -0.287 0.000 1.182 255 E HN 0.711 nan 8.360 nan 0.000 0.418 256 G N 2.654 111.333 108.800 -0.201 0.000 2.660 256 G HA2 -0.180 3.776 3.960 -0.005 0.000 0.247 256 G HA3 -0.180 3.776 3.960 -0.005 0.000 0.247 256 G C -0.936 174.053 174.900 0.149 0.000 1.328 256 G CA -0.869 44.204 45.100 -0.044 0.000 0.884 256 G HN 0.532 nan 8.290 nan 0.000 0.531 257 D N 0.931 121.430 120.400 0.165 0.000 2.368 257 D HA 0.403 5.040 4.640 -0.005 0.000 0.240 257 D C 0.611 177.085 176.300 0.290 0.000 1.169 257 D CA -0.017 54.094 54.000 0.184 0.000 0.906 257 D CB 0.258 41.129 40.800 0.119 0.000 1.187 257 D HN 0.402 nan 8.370 nan 0.000 0.435 258 D N 0.609 121.075 120.400 0.110 0.000 2.472 258 D HA -0.061 4.576 4.640 -0.005 0.000 0.237 258 D C 1.417 177.745 176.300 0.047 0.000 1.141 258 D CA -0.037 53.947 54.000 -0.027 0.000 0.875 258 D CB 0.586 41.327 40.800 -0.098 0.000 1.192 258 D HN 0.379 nan 8.370 nan 0.000 0.450 259 I N 1.612 122.181 120.570 -0.002 0.000 2.335 259 I HA -0.261 3.906 4.170 -0.005 0.000 0.251 259 I C 1.544 177.621 176.117 -0.067 0.000 1.129 259 I CA 1.259 62.534 61.300 -0.041 0.000 1.402 259 I CB 0.139 37.982 38.000 -0.262 0.000 1.069 259 I HN 0.326 nan 8.210 nan 0.000 0.424 260 L N 0.690 121.876 121.223 -0.061 0.000 2.622 260 L HA -0.100 4.237 4.340 -0.005 0.000 0.233 260 L C 1.534 178.411 176.870 0.012 0.000 1.156 260 L CA 0.252 55.080 54.840 -0.021 0.000 0.866 260 L CB -0.752 41.291 42.059 -0.027 0.000 0.980 260 L HN 0.230 nan 8.230 nan 0.000 0.448 261 D N 0.322 120.736 120.400 0.023 0.000 2.178 261 D HA -0.094 4.543 4.640 -0.005 0.000 0.202 261 D C 2.192 178.532 176.300 0.066 0.000 0.974 261 D CA 1.118 55.142 54.000 0.040 0.000 0.841 261 D CB 0.199 41.028 40.800 0.048 0.000 0.953 261 D HN 0.215 nan 8.370 nan 0.000 0.478 262 R N -0.970 119.587 120.500 0.096 0.000 2.453 262 R HA 0.291 4.628 4.340 -0.005 0.000 0.233 262 R C 0.040 176.499 176.300 0.266 0.000 0.895 262 R CA 0.093 56.292 56.100 0.165 0.000 1.028 262 R CB 1.198 31.592 30.300 0.157 0.000 1.255 262 R HN -0.066 nan 8.270 nan 0.000 0.571 263 S N -0.169 115.627 115.700 0.160 0.000 2.599 263 S HA 0.304 4.771 4.470 -0.005 0.000 0.294 263 S C 0.182 174.856 174.600 0.124 0.000 1.094 263 S CA -0.671 57.624 58.200 0.159 0.000 0.931 263 S CB 2.129 65.391 63.200 0.104 0.000 1.093 263 S HN 0.190 nan 8.310 nan 0.000 0.488 264 S N -0.483 115.321 115.700 0.174 0.000 3.053 264 S HA 0.414 4.881 4.470 -0.005 0.000 0.255 264 S C -0.511 174.211 174.600 0.204 0.000 0.976 264 S CA -0.461 57.849 58.200 0.183 0.000 1.159 264 S CB -0.009 63.333 63.200 0.237 0.000 1.110 264 S HN 0.696 nan 8.310 nan 0.000 0.633 265 E N 1.088 121.438 120.200 0.250 0.000 2.349 265 E HA 0.327 4.673 4.350 -0.005 0.000 0.290 265 E C -1.443 175.307 176.600 0.250 0.000 0.901 265 E CA -0.572 55.947 56.400 0.199 0.000 0.800 265 E CB 1.110 30.868 29.700 0.098 0.000 1.303 265 E HN 0.298 nan 8.360 nan 0.000 0.397 266 L N 6.981 128.270 121.223 0.110 0.000 2.433 266 L HA 0.231 4.567 4.340 -0.005 0.000 0.275 266 L C 0.274 177.022 176.870 -0.204 0.000 1.128 266 L CA 0.437 55.099 54.840 -0.296 0.000 0.875 266 L CB 0.418 42.260 42.059 -0.362 0.000 1.171 266 L HN 0.896 nan 8.230 nan 0.000 0.463 267 I N 5.708 126.142 120.570 -0.226 0.000 2.927 267 I HA 0.019 4.186 4.170 -0.005 0.000 0.268 267 I C -0.401 175.630 176.117 -0.142 0.000 1.153 267 I CA 0.323 61.531 61.300 -0.154 0.000 1.459 267 I CB 0.310 38.232 38.000 -0.130 0.000 1.149 267 I HN 0.513 nan 8.210 nan 0.000 0.443 268 Y N -0.750 119.296 120.300 -0.424 0.000 2.662 268 Y HA 0.447 4.995 4.550 -0.004 0.000 0.334 268 Y C -0.865 174.700 175.900 -0.558 0.000 1.185 268 Y CA -1.187 56.584 58.100 -0.549 0.000 1.074 268 Y CB 1.651 39.639 38.460 -0.786 0.000 1.330 268 Y HN -0.236 nan 8.280 nan 0.000 0.458 269 T N 2.019 115.844 114.554 -1.215 0.000 3.012 269 T HA 0.771 5.118 4.350 -0.005 0.000 0.330 269 T C -0.861 173.270 174.700 -0.948 0.000 1.321 269 T CA 0.315 61.883 62.100 -0.887 0.000 1.067 269 T CB 1.085 69.494 68.868 -0.766 0.000 1.235 269 T HN 1.509 nan 8.240 nan 0.000 0.479 270 G N 2.325 110.930 108.800 -0.325 0.000 2.364 270 G HA2 0.499 4.456 3.960 -0.005 0.000 0.286 270 G HA3 0.499 4.456 3.960 -0.005 0.000 0.286 270 G C -1.955 173.077 174.900 0.220 0.000 1.241 270 G CA -0.788 44.249 45.100 -0.105 0.000 0.887 270 G HN 0.751 nan 8.290 nan 0.000 0.484 271 E N 0.243 120.596 120.200 0.255 0.000 2.158 271 E HA 0.650 4.997 4.350 -0.005 0.000 0.271 271 E C -0.643 176.160 176.600 0.338 0.000 0.911 271 E CA -0.363 56.198 56.400 0.269 0.000 0.767 271 E CB 2.092 31.892 29.700 0.165 0.000 1.120 271 E HN 0.343 nan 8.360 nan 0.000 0.405 272 M N 1.392 121.224 119.600 0.387 0.000 2.593 272 M HA 0.549 5.026 4.480 -0.005 0.000 0.290 272 M C -0.784 175.740 176.300 0.373 0.000 1.244 272 M CA -0.920 54.551 55.300 0.286 0.000 0.857 272 M CB 2.390 34.980 32.600 -0.017 0.000 1.738 272 M HN 0.624 nan 8.290 nan 0.000 0.461 273 A N 1.826 124.837 122.820 0.318 0.000 2.286 273 A HA 0.791 5.108 4.320 -0.005 0.000 0.286 273 A C -1.403 176.431 177.584 0.416 0.000 1.097 273 A CA -0.265 51.991 52.037 0.364 0.000 0.821 273 A CB 0.626 19.800 19.000 0.291 0.000 1.076 273 A HN 0.862 nan 8.150 nan 0.000 0.490 274 W N 0.271 121.620 121.300 0.081 0.000 3.146 274 W HA 0.640 5.296 4.660 -0.007 0.000 0.319 274 W C -2.588 173.879 176.519 -0.087 0.000 1.258 274 W CA -1.571 55.657 57.345 -0.195 0.000 1.189 274 W CB 0.369 29.515 29.460 -0.523 0.000 1.412 274 W HN 0.499 nan 8.180 nan 0.000 0.567 275 I N 3.474 123.764 120.570 -0.467 0.000 2.410 275 I HA 0.101 4.267 4.170 -0.005 0.000 0.286 275 I C 0.460 176.135 176.117 -0.737 0.000 1.009 275 I CA -0.886 60.127 61.300 -0.478 0.000 1.111 275 I CB 2.069 40.054 38.000 -0.024 0.000 1.262 275 I HN 0.618 nan 8.210 nan 0.000 0.443 276 Y N 6.764 126.380 120.300 -1.140 0.000 2.242 276 Y HA -0.087 4.460 4.550 -0.005 0.000 0.291 276 Y C 0.896 176.612 175.900 -0.308 0.000 1.137 276 Y CA 1.135 58.581 58.100 -1.090 0.000 1.181 276 Y CB 0.381 38.295 38.460 -0.909 0.000 0.989 276 Y HN 0.634 nan 8.280 nan 0.000 0.527 277 Q N 0.044 119.647 119.800 -0.329 0.000 2.377 277 Q HA 0.443 4.779 4.340 -0.005 0.000 0.279 277 Q C -3.077 172.618 176.000 -0.507 0.000 1.049 277 Q CA -2.603 52.961 55.803 -0.399 0.000 0.825 277 Q CB 2.575 31.160 28.738 -0.256 0.000 1.401 277 Q HN -0.138 nan 8.270 nan 0.000 0.404 278 P HA -0.081 nan 4.420 nan 0.000 0.261 278 P C -1.167 175.702 177.300 -0.718 0.000 1.173 278 P CA 0.990 63.371 63.100 -1.199 0.000 0.760 278 P CB -0.196 30.668 31.700 -1.393 0.000 0.783 279 Y N -0.952 119.229 120.300 -0.197 0.000 4.929 279 Y HA -0.265 4.282 4.550 -0.005 0.000 0.253 279 Y C 1.360 177.216 175.900 -0.074 0.000 0.946 279 Y CA 0.207 58.251 58.100 -0.094 0.000 1.905 279 Y CB -2.193 36.211 38.460 -0.093 0.000 1.400 279 Y HN 0.517 nan 8.280 nan 0.000 0.531 280 G N 0.851 109.649 108.800 -0.004 0.000 2.634 280 G HA2 0.388 4.345 3.960 -0.005 0.000 0.255 280 G HA3 0.388 4.345 3.960 -0.005 0.000 0.255 280 G C -0.217 174.676 174.900 -0.012 0.000 1.205 280 G CA -0.445 44.642 45.100 -0.021 0.000 0.884 280 G HN 0.246 nan 8.290 nan 0.000 0.549 281 R N 0.168 120.648 120.500 -0.032 0.000 2.438 281 R HA 0.053 4.390 4.340 -0.005 0.000 0.287 281 R C 0.390 176.660 176.300 -0.049 0.000 1.077 281 R CA -0.456 55.628 56.100 -0.027 0.000 1.034 281 R CB 0.315 30.599 30.300 -0.026 0.000 0.993 281 R HN 0.546 nan 8.270 nan 0.000 0.459 282 N N 3.368 122.063 118.700 -0.008 0.000 2.431 282 N HA -0.037 4.700 4.740 -0.005 0.000 0.265 282 N C -1.254 174.281 175.510 0.041 0.000 1.184 282 N CA 0.355 53.419 53.050 0.023 0.000 0.943 282 N CB 0.699 39.203 38.487 0.028 0.000 1.080 282 N HN 0.502 nan 8.380 nan 0.000 0.477 283 Q N 1.827 121.677 119.800 0.084 0.000 2.309 283 Q HA 0.330 4.667 4.340 -0.005 0.000 0.264 283 Q C -0.481 175.670 176.000 0.251 0.000 1.008 283 Q CA -0.806 55.087 55.803 0.149 0.000 0.853 283 Q CB 1.986 30.829 28.738 0.174 0.000 1.314 283 Q HN 0.419 nan 8.270 nan 0.000 0.448 284 Q N 2.477 122.385 119.800 0.180 0.000 2.279 284 Q HA 0.385 4.721 4.340 -0.005 0.000 0.256 284 Q C -0.421 175.670 176.000 0.151 0.000 0.937 284 Q CA -0.075 55.841 55.803 0.188 0.000 0.933 284 Q CB 1.107 29.925 28.738 0.133 0.000 1.189 284 Q HN 0.371 nan 8.270 nan 0.000 0.417 285 R N 0.892 121.482 120.500 0.150 0.000 2.836 285 R HA 0.588 4.925 4.340 -0.005 0.000 0.269 285 R C -0.883 175.373 176.300 -0.074 0.000 1.010 285 R CA -0.997 55.048 56.100 -0.092 0.000 0.930 285 R CB 1.550 31.535 30.300 -0.524 0.000 1.218 285 R HN 0.304 nan 8.270 nan 0.000 0.473 286 V N 2.532 122.354 119.914 -0.153 0.000 2.370 286 V HA 0.442 4.559 4.120 -0.005 0.000 0.283 286 V C -0.578 175.372 176.094 -0.240 0.000 1.023 286 V CA -0.525 61.733 62.300 -0.070 0.000 0.857 286 V CB 0.665 32.522 31.823 0.057 0.000 0.985 286 V HN 0.431 nan 8.190 nan 0.000 0.443 287 F N 4.396 124.272 119.950 -0.122 0.000 2.443 287 F HA 0.683 5.208 4.527 -0.004 0.000 0.335 287 F C -0.266 175.419 175.800 -0.191 0.000 1.104 287 F CA -0.755 57.236 58.000 -0.014 0.000 1.013 287 F CB 1.503 40.479 39.000 -0.040 0.000 1.136 287 F HN 0.306 nan 8.300 nan 0.000 0.470 288 F N 3.799 123.915 119.950 0.278 0.000 2.434 288 F HA 0.355 4.879 4.527 -0.005 0.000 0.355 288 F C -0.337 175.451 175.800 -0.020 0.000 1.115 288 F CA -0.583 57.405 58.000 -0.020 0.000 1.010 288 F CB 1.157 40.076 39.000 -0.135 0.000 1.234 288 F HN 0.238 nan 8.300 nan 0.000 0.439 289 L N 5.149 126.384 121.223 0.019 0.000 2.295 289 L HA 0.404 4.741 4.340 -0.005 0.000 0.288 289 L C -1.021 175.745 176.870 -0.174 0.000 1.079 289 L CA -0.088 54.776 54.840 0.040 0.000 0.830 289 L CB 0.018 42.076 42.059 -0.001 0.000 1.200 289 L HN 0.428 nan 8.230 nan 0.000 0.438 290 F N 1.616 121.653 119.950 0.145 0.000 2.457 290 F HA 0.266 4.790 4.527 -0.005 0.000 0.330 290 F C 0.536 176.393 175.800 0.096 0.000 1.069 290 F CA -1.166 56.895 58.000 0.102 0.000 1.009 290 F CB 0.492 39.571 39.000 0.131 0.000 1.276 290 F HN 0.474 nan 8.300 nan 0.000 0.492 291 D N -0.190 120.357 120.400 0.246 0.000 2.487 291 D HA -0.007 4.629 4.640 -0.005 0.000 0.243 291 D C 0.095 176.480 176.300 0.142 0.000 1.154 291 D CA 0.477 54.520 54.000 0.070 0.000 0.876 291 D CB 0.062 40.818 40.800 -0.073 0.000 1.161 291 D HN 0.884 nan 8.370 nan 0.000 0.478 292 H N -0.466 118.733 119.070 0.214 0.000 4.407 292 H HA -0.220 4.333 4.556 -0.006 0.000 0.114 292 H C -0.003 175.473 175.328 0.246 0.000 0.643 292 H CA 1.563 57.735 56.048 0.207 0.000 1.216 292 H CB -0.765 29.102 29.762 0.175 0.000 0.587 292 H HN 0.791 nan 8.280 nan 0.000 0.633 293 Q N 0.583 120.624 119.800 0.402 0.000 2.426 293 Q HA 0.566 4.903 4.340 -0.005 0.000 0.278 293 Q C -1.412 174.855 176.000 0.445 0.000 1.007 293 Q CA -0.947 55.088 55.803 0.388 0.000 0.850 293 Q CB 2.444 31.388 28.738 0.343 0.000 1.427 293 Q HN 0.227 nan 8.270 nan 0.000 0.391 294 M N 3.199 123.040 119.600 0.401 0.000 2.125 294 M HA 0.468 4.945 4.480 -0.005 0.000 0.321 294 M C -1.711 174.823 176.300 0.390 0.000 0.983 294 M CA -0.768 54.783 55.300 0.419 0.000 0.934 294 M CB 1.813 34.636 32.600 0.372 0.000 1.542 294 M HN 0.634 nan 8.290 nan 0.000 0.424 295 V N 6.070 126.277 119.914 0.489 0.000 2.539 295 V HA 0.492 4.608 4.120 -0.005 0.000 0.292 295 V C -0.389 175.857 176.094 0.254 0.000 1.045 295 V CA -0.896 61.635 62.300 0.386 0.000 0.945 295 V CB 1.552 33.757 31.823 0.636 0.000 0.993 295 V HN 0.695 nan 8.190 nan 0.000 0.464 296 L N 2.894 124.059 121.223 -0.097 0.000 2.362 296 L HA 0.864 5.201 4.340 -0.005 0.000 0.271 296 L C -0.479 176.225 176.870 -0.276 0.000 1.002 296 L CA -1.064 53.535 54.840 -0.401 0.000 0.818 296 L CB 0.175 41.663 42.059 -0.952 0.000 1.298 296 L HN 0.612 nan 8.230 nan 0.000 0.420 297 C N 1.085 120.307 119.300 -0.131 0.000 3.080 297 C HA 0.719 5.176 4.460 -0.005 0.000 0.307 297 C C 0.006 174.997 174.990 0.002 0.000 1.311 297 C CA -0.875 58.146 59.018 0.005 0.000 1.533 297 C CB 2.773 30.647 27.740 0.224 0.000 1.970 297 C HN 0.941 nan 8.230 nan 0.000 0.467 298 K N 1.304 121.754 120.400 0.084 0.000 2.292 298 K HA 0.409 4.726 4.320 -0.005 0.000 0.257 298 K C -0.688 176.025 176.600 0.190 0.000 0.940 298 K CA -0.335 56.023 56.287 0.118 0.000 0.811 298 K CB 0.742 33.311 32.500 0.116 0.000 1.120 298 K HN 0.630 nan 8.250 nan 0.000 0.428 299 K N 2.636 123.126 120.400 0.151 0.000 2.350 299 K HA -0.004 4.313 4.320 -0.005 0.000 0.279 299 K C -0.421 176.291 176.600 0.187 0.000 1.027 299 K CA -0.242 56.128 56.287 0.139 0.000 0.969 299 K CB 0.572 33.138 32.500 0.109 0.000 0.954 299 K HN 0.618 nan 8.250 nan 0.000 0.474 300 D N 1.682 122.199 120.400 0.194 0.000 2.506 300 D HA -0.116 4.521 4.640 -0.005 0.000 0.234 300 D C 0.904 177.286 176.300 0.137 0.000 1.143 300 D CA 0.051 54.196 54.000 0.240 0.000 0.871 300 D CB 0.672 41.574 40.800 0.169 0.000 1.190 300 D HN 0.354 nan 8.370 nan 0.000 0.459 301 L N 4.193 125.486 121.223 0.118 0.000 2.141 301 L HA -0.084 4.253 4.340 -0.005 0.000 0.209 301 L C 1.438 178.346 176.870 0.063 0.000 1.094 301 L CA 1.410 56.296 54.840 0.077 0.000 0.763 301 L CB -0.006 42.088 42.059 0.059 0.000 0.908 301 L HN 0.583 nan 8.230 nan 0.000 0.437 302 I N -1.366 119.242 120.570 0.064 0.000 2.729 302 I HA 0.094 4.261 4.170 -0.005 0.000 0.256 302 I C 0.694 176.837 176.117 0.044 0.000 1.115 302 I CA 0.509 61.838 61.300 0.049 0.000 1.446 302 I CB -0.668 37.358 38.000 0.045 0.000 1.176 302 I HN 0.072 nan 8.210 nan 0.000 0.446 303 R N 2.507 123.036 120.500 0.047 0.000 2.346 303 R HA 0.264 4.601 4.340 -0.005 0.000 0.309 303 R C 0.849 177.166 176.300 0.030 0.000 1.119 303 R CA -0.375 55.743 56.100 0.031 0.000 1.112 303 R CB 1.099 31.412 30.300 0.021 0.000 1.132 303 R HN 0.089 nan 8.270 nan 0.000 0.538 304 R N 1.044 121.565 120.500 0.035 0.000 2.235 304 R HA -0.077 4.260 4.340 -0.005 0.000 0.213 304 R C 0.955 177.282 176.300 0.045 0.000 1.059 304 R CA 0.893 57.020 56.100 0.046 0.000 0.997 304 R CB -0.013 30.316 30.300 0.048 0.000 0.884 304 R HN 0.555 nan 8.270 nan 0.000 0.462 305 D N -0.282 120.136 120.400 0.030 0.000 2.349 305 D HA -0.049 4.587 4.640 -0.005 0.000 0.224 305 D C 0.518 176.815 176.300 -0.005 0.000 1.029 305 D CA 0.083 54.101 54.000 0.030 0.000 0.879 305 D CB 0.027 40.843 40.800 0.025 0.000 0.906 305 D HN 0.135 nan 8.370 nan 0.000 0.528 306 I N 1.212 121.756 120.570 -0.043 0.000 2.315 306 I HA 0.227 4.394 4.170 -0.005 0.000 0.291 306 I C -0.096 175.907 176.117 -0.188 0.000 1.006 306 I CA -0.645 60.566 61.300 -0.148 0.000 1.265 306 I CB 1.447 39.336 38.000 -0.184 0.000 1.387 306 I HN -0.205 nan 8.210 nan 0.000 0.475 307 L N 6.884 127.975 121.223 -0.221 0.000 2.334 307 L HA 0.481 4.818 4.340 -0.005 0.000 0.276 307 L C -1.188 175.519 176.870 -0.271 0.000 1.014 307 L CA -0.803 53.952 54.840 -0.143 0.000 0.815 307 L CB 1.704 43.766 42.059 0.006 0.000 1.268 307 L HN 0.421 nan 8.230 nan 0.000 0.428 308 Y N 0.865 121.186 120.300 0.035 0.000 2.335 308 Y HA 0.247 4.793 4.550 -0.006 0.000 0.338 308 Y C -0.183 175.736 175.900 0.031 0.000 0.977 308 Y CA -0.597 57.523 58.100 0.034 0.000 1.114 308 Y CB 1.557 40.027 38.460 0.017 0.000 1.182 308 Y HN 0.365 nan 8.280 nan 0.000 0.463 309 Y N 4.500 124.844 120.300 0.075 0.000 2.620 309 Y HA 0.039 4.586 4.550 -0.005 0.000 0.330 309 Y C 0.545 176.406 175.900 -0.066 0.000 1.186 309 Y CA 0.208 58.265 58.100 -0.073 0.000 1.467 309 Y CB 0.592 38.916 38.460 -0.226 0.000 1.262 309 Y HN 0.554 nan 8.280 nan 0.000 0.550 310 K N 4.479 124.447 120.400 -0.721 0.000 2.438 310 K HA 0.368 4.685 4.320 -0.005 0.000 0.206 310 K C 0.270 176.447 176.600 -0.705 0.000 1.081 310 K CA 0.578 56.547 56.287 -0.531 0.000 1.053 310 K CB 0.795 33.134 32.500 -0.269 0.000 0.908 310 K HN 1.004 nan 8.250 nan 0.000 0.556 311 G N 1.997 109.975 108.800 -1.370 0.000 2.315 311 G HA2 -0.000 3.956 3.960 -0.005 0.000 0.296 311 G HA3 -0.000 3.956 3.960 -0.005 0.000 0.296 311 G C -1.655 172.981 174.900 -0.440 0.000 1.289 311 G CA -0.701 43.971 45.100 -0.712 0.000 0.996 311 G HN 0.180 nan 8.290 nan 0.000 0.487 312 R N -1.439 119.014 120.500 -0.078 0.000 2.690 312 R HA 0.699 5.036 4.340 -0.005 0.000 0.269 312 R C -1.867 174.522 176.300 0.148 0.000 1.037 312 R CA -1.089 55.054 56.100 0.072 0.000 0.877 312 R CB 0.845 31.255 30.300 0.183 0.000 1.255 312 R HN 0.711 nan 8.270 nan 0.000 0.467 313 I N 1.575 122.259 120.570 0.190 0.000 2.406 313 I HA 0.203 4.370 4.170 -0.005 0.000 0.290 313 I C -0.726 175.568 176.117 0.295 0.000 0.999 313 I CA -0.841 60.586 61.300 0.211 0.000 1.124 313 I CB 1.965 40.031 38.000 0.111 0.000 1.289 313 I HN 0.603 nan 8.210 nan 0.000 0.441 314 D N 7.208 127.831 120.400 0.372 0.000 2.374 314 D HA 0.118 4.755 4.640 -0.005 0.000 0.240 314 D C 0.948 177.511 176.300 0.437 0.000 1.229 314 D CA -0.167 54.051 54.000 0.363 0.000 0.895 314 D CB 0.864 41.844 40.800 0.301 0.000 1.046 314 D HN 0.329 nan 8.370 nan 0.000 0.498 315 M N 2.162 121.994 119.600 0.387 0.000 2.279 315 M HA -0.108 4.369 4.480 -0.005 0.000 0.264 315 M C 0.971 177.467 176.300 0.326 0.000 1.062 315 M CA 0.806 56.340 55.300 0.389 0.000 1.099 315 M CB -0.535 32.285 32.600 0.366 0.000 1.394 315 M HN 0.349 nan 8.290 nan 0.000 0.426 316 D N 0.937 121.505 120.400 0.279 0.000 2.190 316 D HA -0.169 4.468 4.640 -0.005 0.000 0.200 316 D C 1.697 178.075 176.300 0.129 0.000 0.992 316 D CA 1.293 55.409 54.000 0.193 0.000 0.854 316 D CB -0.137 40.741 40.800 0.131 0.000 0.936 316 D HN 0.364 nan 8.370 nan 0.000 0.462 317 K N -1.293 119.184 120.400 0.128 0.000 2.393 317 K HA 0.063 4.380 4.320 -0.005 0.000 0.193 317 K C -0.196 176.270 176.600 -0.223 0.000 1.026 317 K CA 0.053 56.314 56.287 -0.042 0.000 1.064 317 K CB 0.428 32.877 32.500 -0.085 0.000 0.833 317 K HN 0.142 nan 8.250 nan 0.000 0.521 318 Y N 1.207 121.578 120.300 0.118 0.000 2.364 318 Y HA 0.241 4.787 4.550 -0.006 0.000 0.340 318 Y C -0.029 175.911 175.900 0.067 0.000 0.975 318 Y CA -0.999 57.162 58.100 0.103 0.000 1.089 318 Y CB 1.434 39.974 38.460 0.134 0.000 1.192 318 Y HN -0.122 nan 8.280 nan 0.000 0.454 319 E N 1.873 122.168 120.200 0.159 0.000 2.242 319 E HA 0.430 4.776 4.350 -0.005 0.000 0.275 319 E C -1.133 175.503 176.600 0.059 0.000 1.002 319 E CA -0.838 55.614 56.400 0.086 0.000 0.841 319 E CB 1.908 31.635 29.700 0.045 0.000 1.109 319 E HN 0.276 nan 8.360 nan 0.000 0.394 320 V N 4.596 124.488 119.914 -0.037 0.000 2.334 320 V HA 0.166 4.283 4.120 -0.005 0.000 0.267 320 V C 0.107 176.169 176.094 -0.052 0.000 1.040 320 V CA -0.378 61.842 62.300 -0.133 0.000 0.866 320 V CB 0.252 31.892 31.823 -0.306 0.000 1.019 320 V HN 0.524 nan 8.190 nan 0.000 0.468 321 I N 3.705 124.280 120.570 0.008 0.000 2.325 321 I HA 0.234 4.401 4.170 -0.005 0.000 0.291 321 I C 0.181 176.317 176.117 0.032 0.000 1.019 321 I CA -0.109 61.202 61.300 0.018 0.000 1.302 321 I CB 1.342 39.369 38.000 0.045 0.000 1.401 321 I HN 0.547 nan 8.210 nan 0.000 0.485 322 D N 7.644 128.049 120.400 0.009 0.000 2.325 322 D HA 0.244 4.880 4.640 -0.005 0.000 0.251 322 D C -0.354 175.965 176.300 0.032 0.000 1.196 322 D CA -0.170 53.846 54.000 0.026 0.000 0.866 322 D CB 0.768 41.562 40.800 -0.010 0.000 1.101 322 D HN 0.146 nan 8.370 nan 0.000 0.476 323 I N 3.300 123.900 120.570 0.051 0.000 2.437 323 I HA 0.209 4.375 4.170 -0.005 0.000 0.298 323 I C 0.715 176.847 176.117 0.026 0.000 0.984 323 I CA -0.591 60.718 61.300 0.014 0.000 1.214 323 I CB 1.454 39.429 38.000 -0.041 0.000 1.365 323 I HN 0.387 nan 8.210 nan 0.000 0.469 324 E N 3.303 123.513 120.200 0.017 0.000 2.242 324 E HA 0.191 4.538 4.350 -0.005 0.000 0.275 324 E C -0.879 175.739 176.600 0.030 0.000 1.002 324 E CA -0.767 55.649 56.400 0.025 0.000 0.841 324 E CB 1.131 30.842 29.700 0.018 0.000 1.109 324 E HN 0.391 nan 8.360 nan 0.000 0.394 325 D N 0.354 120.779 120.400 0.040 0.000 2.474 325 D HA 0.205 4.842 4.640 -0.005 0.000 0.232 325 D C 0.681 177.005 176.300 0.040 0.000 1.177 325 D CA 2.162 56.190 54.000 0.048 0.000 0.876 325 D CB 0.620 41.449 40.800 0.047 0.000 1.208 325 D HN 0.618 nan 8.370 nan 0.000 0.464 326 G N 1.078 109.905 108.800 0.045 0.000 2.214 326 G HA2 -0.099 3.858 3.960 -0.005 0.000 0.200 326 G HA3 -0.099 3.858 3.960 -0.005 0.000 0.200 326 G C -0.799 174.127 174.900 0.044 0.000 1.126 326 G CA -0.107 45.016 45.100 0.038 0.000 1.284 326 G HN 0.710 nan 8.290 nan 0.000 0.493 327 R N 0.951 121.475 120.500 0.040 0.000 2.673 327 R HA 0.569 4.905 4.340 -0.005 0.000 0.281 327 R C -2.270 174.057 176.300 0.044 0.000 0.991 327 R CA -0.515 55.612 56.100 0.047 0.000 0.896 327 R CB 2.236 32.562 30.300 0.043 0.000 1.201 327 R HN 0.495 nan 8.270 nan 0.000 0.457 328 D N 1.732 122.165 120.400 0.056 0.000 2.256 328 D HA 0.247 4.884 4.640 -0.005 0.000 0.246 328 D C -1.156 175.198 176.300 0.089 0.000 1.042 328 D CA -0.320 53.710 54.000 0.049 0.000 0.841 328 D CB 1.804 42.614 40.800 0.016 0.000 1.223 328 D HN 0.488 nan 8.370 nan 0.000 0.470 329 D N 1.384 121.836 120.400 0.087 0.000 2.350 329 D HA 0.067 4.704 4.640 -0.005 0.000 0.249 329 D C -0.025 176.348 176.300 0.122 0.000 1.119 329 D CA -0.263 53.793 54.000 0.094 0.000 0.886 329 D CB 0.611 41.452 40.800 0.070 0.000 1.195 329 D HN 0.282 nan 8.370 nan 0.000 0.437 330 D N 3.965 124.422 120.400 0.096 0.000 5.758 330 D HA -0.263 4.374 4.640 -0.005 0.000 0.222 330 D C 0.662 176.869 176.300 -0.154 0.000 1.450 330 D CA 0.274 54.295 54.000 0.035 0.000 0.892 330 D CB -0.290 40.576 40.800 0.110 0.000 1.395 330 D HN 0.472 nan 8.370 nan 0.000 0.804 331 F N 1.663 121.443 119.950 -0.284 0.000 2.113 331 F HA -0.487 4.037 4.527 -0.005 0.000 0.228 331 F C 1.831 177.576 175.800 -0.093 0.000 1.144 331 F CA 2.443 60.301 58.000 -0.237 0.000 1.767 331 F CB -1.067 37.848 39.000 -0.143 0.000 0.707 331 F HN 0.561 nan 8.300 nan 0.000 0.397 332 N N -0.881 117.945 118.700 0.210 0.000 2.756 332 N HA -0.157 4.580 4.740 -0.005 0.000 0.248 332 N C -1.044 174.574 175.510 0.180 0.000 1.062 332 N CA 0.786 53.950 53.050 0.190 0.000 0.696 332 N CB -1.069 37.571 38.487 0.256 0.000 0.946 332 N HN 0.251 nan 8.380 nan 0.000 0.548 333 V N -2.066 117.952 119.914 0.173 0.000 3.182 333 V HA 0.813 4.930 4.120 -0.005 0.000 0.311 333 V C 0.778 176.935 176.094 0.104 0.000 1.221 333 V CA -0.351 62.033 62.300 0.140 0.000 1.060 333 V CB 1.676 33.608 31.823 0.181 0.000 1.164 333 V HN 0.363 nan 8.190 nan 0.000 0.466 334 S N 0.151 115.897 115.700 0.076 0.000 2.664 334 S HA 0.869 5.335 4.470 -0.005 0.000 0.304 334 S C -0.835 173.819 174.600 0.090 0.000 1.099 334 S CA -0.694 57.543 58.200 0.063 0.000 1.003 334 S CB 1.566 64.782 63.200 0.028 0.000 1.092 334 S HN 0.678 nan 8.310 nan 0.000 0.525 335 M N 1.938 121.602 119.600 0.107 0.000 2.277 335 M HA 0.448 4.925 4.480 -0.005 0.000 0.282 335 M C -1.343 175.042 176.300 0.142 0.000 1.074 335 M CA -0.469 54.959 55.300 0.213 0.000 0.954 335 M CB 2.618 35.351 32.600 0.221 0.000 1.672 335 M HN 0.590 nan 8.290 nan 0.000 0.471 336 K N 3.084 123.580 120.400 0.159 0.000 2.507 336 K HA 0.425 4.741 4.320 -0.005 0.000 0.252 336 K C -0.916 175.804 176.600 0.200 0.000 0.943 336 K CA -0.646 55.720 56.287 0.131 0.000 0.808 336 K CB 1.705 34.247 32.500 0.070 0.000 1.142 336 K HN 0.821 nan 8.250 nan 0.000 0.426 337 N N 0.872 119.677 118.700 0.175 0.000 2.643 337 N HA -0.175 4.561 4.740 -0.005 0.000 0.267 337 N C -1.351 174.301 175.510 0.237 0.000 1.158 337 N CA 0.845 54.013 53.050 0.197 0.000 0.684 337 N CB -0.685 37.919 38.487 0.194 0.000 0.879 337 N HN 0.747 nan 8.380 nan 0.000 0.553 338 A N 0.810 123.733 122.820 0.172 0.000 2.475 338 A HA 0.906 5.222 4.320 -0.005 0.000 0.301 338 A C -0.443 177.193 177.584 0.087 0.000 1.059 338 A CA -0.757 51.283 52.037 0.006 0.000 0.710 338 A CB 1.582 20.515 19.000 -0.112 0.000 1.288 338 A HN 0.461 nan 8.150 nan 0.000 0.408 339 F N -0.351 119.500 119.950 -0.165 0.000 2.789 339 F HA 0.876 5.400 4.527 -0.005 0.000 0.319 339 F C -0.855 174.866 175.800 -0.133 0.000 1.168 339 F CA -0.951 56.959 58.000 -0.151 0.000 0.934 339 F CB 1.504 40.416 39.000 -0.146 0.000 1.375 339 F HN 0.640 nan 8.300 nan 0.000 0.480 340 K N 1.138 121.564 120.400 0.044 0.000 2.469 340 K HA 0.694 5.011 4.320 -0.005 0.000 0.254 340 K C -2.204 174.464 176.600 0.113 0.000 0.939 340 K CA -0.797 55.489 56.287 -0.003 0.000 0.812 340 K CB 2.399 34.869 32.500 -0.049 0.000 1.301 340 K HN 0.864 nan 8.250 nan 0.000 0.433 341 L N 3.846 125.181 121.223 0.186 0.000 2.345 341 L HA 0.343 4.680 4.340 -0.005 0.000 0.274 341 L C -0.693 176.355 176.870 0.295 0.000 0.999 341 L CA -0.832 54.134 54.840 0.211 0.000 0.849 341 L CB 1.359 43.527 42.059 0.182 0.000 1.220 341 L HN 0.716 nan 8.230 nan 0.000 0.422 342 H N 3.272 122.459 119.070 0.195 0.000 2.487 342 H HA 0.202 4.756 4.556 -0.004 0.000 0.333 342 H C 0.151 175.506 175.328 0.045 0.000 1.114 342 H CA -0.029 56.085 56.048 0.110 0.000 1.310 342 H CB 1.245 31.022 29.762 0.025 0.000 1.462 342 H HN 0.494 nan 8.280 nan 0.000 0.516 343 N N 3.050 121.706 118.700 -0.074 0.000 2.530 343 N HA -0.067 4.670 4.740 -0.005 0.000 0.273 343 N C 0.911 176.370 175.510 -0.084 0.000 1.173 343 N CA -0.143 52.646 53.050 -0.435 0.000 0.967 343 N CB 1.152 39.383 38.487 -0.427 0.000 1.109 343 N HN 0.615 nan 8.380 nan 0.000 0.453 344 K N 3.465 123.774 120.400 -0.152 0.000 1.984 344 K HA -0.155 4.162 4.320 -0.005 0.000 0.209 344 K C 1.677 178.255 176.600 -0.037 0.000 1.046 344 K CA 1.906 58.157 56.287 -0.061 0.000 0.934 344 K CB -0.304 32.161 32.500 -0.059 0.000 0.717 344 K HN 0.748 nan 8.250 nan 0.000 0.438 345 E N -0.399 119.769 120.200 -0.054 0.000 2.230 345 E HA -0.014 4.333 4.350 -0.005 0.000 0.192 345 E C 0.009 176.598 176.600 -0.018 0.000 0.987 345 E CA 0.695 57.076 56.400 -0.031 0.000 0.841 345 E CB -0.207 29.474 29.700 -0.030 0.000 0.783 345 E HN 0.210 nan 8.360 nan 0.000 0.481 346 T N 1.276 115.812 114.554 -0.030 0.000 2.880 346 T HA 0.190 4.537 4.350 -0.005 0.000 0.279 346 T C 0.601 175.304 174.700 0.005 0.000 0.990 346 T CA -0.573 61.513 62.100 -0.024 0.000 0.938 346 T CB 1.322 70.159 68.868 -0.051 0.000 1.206 346 T HN 0.095 nan 8.240 nan 0.000 0.573 347 E N -0.041 120.142 120.200 -0.027 0.000 2.465 347 E HA 0.104 4.451 4.350 -0.005 0.000 0.191 347 E C -0.004 176.452 176.600 -0.240 0.000 1.053 347 E CA -0.089 56.282 56.400 -0.049 0.000 0.869 347 E CB 0.304 29.988 29.700 -0.027 0.000 0.977 347 E HN 0.549 nan 8.360 nan 0.000 0.483 348 E N 1.615 121.679 120.200 -0.227 0.000 2.452 348 E HA 0.144 4.490 4.350 -0.005 0.000 0.261 348 E C -1.113 175.226 176.600 -0.436 0.000 0.987 348 E CA 0.201 56.434 56.400 -0.279 0.000 0.926 348 E CB 1.022 30.639 29.700 -0.139 0.000 0.934 348 E HN -0.093 nan 8.360 nan 0.000 0.452 349 V N 5.333 124.946 119.914 -0.502 0.000 2.924 349 V HA 0.261 4.378 4.120 -0.005 0.000 0.300 349 V C -1.941 174.000 176.094 -0.254 0.000 1.227 349 V CA -0.687 61.373 62.300 -0.400 0.000 0.954 349 V CB 1.930 33.593 31.823 -0.266 0.000 1.055 349 V HN 0.721 nan 8.190 nan 0.000 0.429 350 H N 5.712 124.824 119.070 0.069 0.000 2.589 350 H HA 0.558 5.111 4.556 -0.005 0.000 0.351 350 H C -0.786 174.438 175.328 -0.173 0.000 1.074 350 H CA -0.615 55.414 56.048 -0.032 0.000 1.203 350 H CB 2.331 32.149 29.762 0.094 0.000 1.558 350 H HN 0.598 nan 8.280 nan 0.000 0.522 351 L N 3.699 124.730 121.223 -0.319 0.000 2.295 351 L HA 0.402 4.738 4.340 -0.005 0.000 0.285 351 L C -1.015 175.308 176.870 -0.911 0.000 1.035 351 L CA -0.636 53.783 54.840 -0.703 0.000 0.806 351 L CB 0.490 41.968 42.059 -0.969 0.000 1.214 351 L HN 0.376 nan 8.230 nan 0.000 0.426 352 F N 3.328 122.686 119.950 -0.987 0.000 2.522 352 F HA 0.506 5.029 4.527 -0.005 0.000 0.324 352 F C -0.533 174.641 175.800 -1.043 0.000 1.077 352 F CA -0.536 56.866 58.000 -0.997 0.000 0.944 352 F CB 1.693 39.787 39.000 -1.511 0.000 1.175 352 F HN 0.147 nan 8.300 nan 0.000 0.468 353 F N 1.656 121.523 119.950 -0.139 0.000 2.577 353 F HA 0.645 5.169 4.527 -0.005 0.000 0.344 353 F C 0.185 176.017 175.800 0.053 0.000 1.145 353 F CA -0.874 57.104 58.000 -0.037 0.000 0.996 353 F CB 1.199 40.189 39.000 -0.017 0.000 1.248 353 F HN 0.604 nan 8.300 nan 0.000 0.447 354 A N 2.918 125.910 122.820 0.286 0.000 2.287 354 A HA 0.544 4.861 4.320 -0.005 0.000 0.273 354 A C 0.950 178.677 177.584 0.239 0.000 1.091 354 A CA -0.375 51.835 52.037 0.288 0.000 0.817 354 A CB 0.957 20.170 19.000 0.356 0.000 1.069 354 A HN 0.774 nan 8.150 nan 0.000 0.492 355 K N 0.434 120.954 120.400 0.200 0.000 1.991 355 K HA 0.088 4.405 4.320 -0.005 0.000 0.208 355 K C 0.811 177.487 176.600 0.128 0.000 1.038 355 K CA 1.246 57.619 56.287 0.143 0.000 0.943 355 K CB -0.155 32.416 32.500 0.118 0.000 0.736 355 K HN 0.610 nan 8.250 nan 0.000 0.440 356 K N 0.850 121.325 120.400 0.125 0.000 2.120 356 K HA 0.050 4.366 4.320 -0.005 0.000 0.245 356 K C 1.353 178.021 176.600 0.114 0.000 1.024 356 K CA 0.031 56.379 56.287 0.102 0.000 0.906 356 K CB 0.462 33.014 32.500 0.086 0.000 1.051 356 K HN 0.048 nan 8.250 nan 0.000 0.491 357 L N 1.361 122.636 121.223 0.086 0.000 2.044 357 L HA -0.191 4.146 4.340 -0.005 0.000 0.205 357 L C 1.973 178.886 176.870 0.071 0.000 1.075 357 L CA 1.419 56.307 54.840 0.080 0.000 0.747 357 L CB -0.176 41.916 42.059 0.055 0.000 0.903 357 L HN 0.697 nan 8.230 nan 0.000 0.435 358 E N -0.267 119.965 120.200 0.053 0.000 2.197 358 E HA -0.300 4.047 4.350 -0.005 0.000 0.205 358 E C 2.014 178.643 176.600 0.049 0.000 1.029 358 E CA 1.920 58.342 56.400 0.035 0.000 0.828 358 E CB 0.120 29.839 29.700 0.032 0.000 0.737 358 E HN 0.415 nan 8.360 nan 0.000 0.464 359 E N -0.232 120.035 120.200 0.113 0.000 2.086 359 E HA -0.087 4.260 4.350 -0.005 0.000 0.190 359 E C 1.879 178.654 176.600 0.291 0.000 0.975 359 E CA 0.486 57.004 56.400 0.197 0.000 0.813 359 E CB -0.169 29.690 29.700 0.265 0.000 0.768 359 E HN 0.192 nan 8.360 nan 0.000 0.457 360 K N 0.951 121.505 120.400 0.257 0.000 2.044 360 K HA -0.142 4.175 4.320 -0.005 0.000 0.210 360 K C 2.251 178.895 176.600 0.074 0.000 1.049 360 K CA 1.154 57.579 56.287 0.230 0.000 0.927 360 K CB -0.204 32.415 32.500 0.198 0.000 0.713 360 K HN 0.034 nan 8.250 nan 0.000 0.443 361 I N 0.384 120.970 120.570 0.027 0.000 2.142 361 I HA -0.299 3.868 4.170 -0.005 0.000 0.240 361 I C 2.620 178.660 176.117 -0.128 0.000 1.078 361 I CA 1.256 62.526 61.300 -0.049 0.000 1.343 361 I CB -0.133 37.843 38.000 -0.041 0.000 1.046 361 I HN 0.210 nan 8.210 nan 0.000 0.405 362 R N -0.373 120.025 120.500 -0.169 0.000 2.127 362 R HA -0.227 4.110 4.340 -0.005 0.000 0.238 362 R C 1.993 177.888 176.300 -0.675 0.000 1.134 362 R CA 2.043 57.883 56.100 -0.432 0.000 0.975 362 R CB -0.281 29.745 30.300 -0.456 0.000 0.865 362 R HN 0.400 nan 8.270 nan 0.000 0.447 363 W N -0.502 120.562 121.300 -0.395 0.000 2.443 363 W HA -0.034 4.621 4.660 -0.007 0.000 0.296 363 W C 1.796 178.123 176.519 -0.320 0.000 1.202 363 W CA 0.245 57.350 57.345 -0.400 0.000 1.312 363 W CB -0.235 29.117 29.460 -0.180 0.000 1.120 363 W HN 0.068 nan 8.180 nan 0.000 0.536 364 L N 0.374 121.563 121.223 -0.056 0.000 2.079 364 L HA -0.215 4.121 4.340 -0.005 0.000 0.210 364 L C 2.680 179.517 176.870 -0.056 0.000 1.081 364 L CA 1.440 56.248 54.840 -0.054 0.000 0.752 364 L CB -0.560 41.411 42.059 -0.146 0.000 0.896 364 L HN -0.170 nan 8.230 nan 0.000 0.433 365 R N -0.178 120.221 120.500 -0.169 0.000 2.066 365 R HA -0.032 4.305 4.340 -0.005 0.000 0.232 365 R C 2.184 178.348 176.300 -0.227 0.000 1.131 365 R CA 1.575 57.560 56.100 -0.192 0.000 0.955 365 R CB -1.026 29.130 30.300 -0.240 0.000 0.851 365 R HN 0.398 nan 8.270 nan 0.000 0.432 366 A N -0.443 122.139 122.820 -0.397 0.000 2.024 366 A HA -0.145 4.172 4.320 -0.005 0.000 0.220 366 A C 2.209 179.589 177.584 -0.341 0.000 1.164 366 A CA 1.332 53.095 52.037 -0.457 0.000 0.643 366 A CB -0.695 17.856 19.000 -0.747 0.000 0.806 366 A HN 0.352 nan 8.150 nan 0.000 0.451 367 F N -0.863 119.034 119.950 -0.089 0.000 2.187 367 F HA -0.022 4.502 4.527 -0.006 0.000 0.295 367 F C 2.572 178.342 175.800 -0.051 0.000 1.091 367 F CA 1.247 59.219 58.000 -0.047 0.000 1.308 367 F CB -0.200 38.750 39.000 -0.083 0.000 1.030 367 F HN 0.044 nan 8.300 nan 0.000 0.487 368 R N 0.205 120.764 120.500 0.097 0.000 2.091 368 R HA -0.202 4.135 4.340 -0.005 0.000 0.238 368 R C 2.006 178.307 176.300 0.001 0.000 1.136 368 R CA 1.683 57.801 56.100 0.030 0.000 0.959 368 R CB -0.399 29.891 30.300 -0.017 0.000 0.856 368 R HN 0.118 nan 8.270 nan 0.000 0.437 369 E N 0.553 120.727 120.200 -0.044 0.000 2.153 369 E HA -0.215 4.132 4.350 -0.005 0.000 0.194 369 E C 1.693 178.267 176.600 -0.044 0.000 0.988 369 E CA 1.746 58.105 56.400 -0.069 0.000 0.811 369 E CB 0.135 29.759 29.700 -0.126 0.000 0.746 369 E HN 0.460 nan 8.360 nan 0.000 0.466 370 E N -0.521 119.670 120.200 -0.015 0.000 2.122 370 E HA -0.057 4.290 4.350 -0.005 0.000 0.190 370 E C 1.897 178.522 176.600 0.042 0.000 0.977 370 E CA 0.545 56.953 56.400 0.014 0.000 0.820 370 E CB -0.245 29.483 29.700 0.047 0.000 0.770 370 E HN -0.058 nan 8.360 nan 0.000 0.462 371 R N 1.147 121.693 120.500 0.075 0.000 2.103 371 R HA -0.126 4.211 4.340 -0.005 0.000 0.242 371 R C 2.166 178.485 176.300 0.031 0.000 1.142 371 R CA 1.745 57.887 56.100 0.069 0.000 0.960 371 R CB -0.697 29.648 30.300 0.074 0.000 0.858 371 R HN 0.356 nan 8.270 nan 0.000 0.439 372 K N 0.594 120.998 120.400 0.007 0.000 2.025 372 K HA -0.102 4.215 4.320 -0.005 0.000 0.207 372 K C 2.051 178.636 176.600 -0.026 0.000 1.049 372 K CA 1.428 57.706 56.287 -0.015 0.000 0.933 372 K CB -0.178 32.303 32.500 -0.032 0.000 0.714 372 K HN 0.140 nan 8.250 nan 0.000 0.438 373 M N 0.897 120.476 119.600 -0.035 0.000 2.229 373 M HA -0.130 4.347 4.480 -0.005 0.000 0.264 373 M C 1.757 178.030 176.300 -0.044 0.000 1.063 373 M CA 1.166 56.434 55.300 -0.052 0.000 1.114 373 M CB 0.164 32.729 32.600 -0.058 0.000 1.387 373 M HN -0.042 nan 8.290 nan 0.000 0.420 374 V N 0.876 120.769 119.914 -0.037 0.000 2.358 374 V HA -0.246 3.871 4.120 -0.005 0.000 0.246 374 V C 2.391 178.510 176.094 0.041 0.000 1.047 374 V CA 1.670 63.954 62.300 -0.027 0.000 1.035 374 V CB -0.814 31.014 31.823 0.008 0.000 0.658 374 V HN 0.554 nan 8.190 nan 0.000 0.452 375 Q N -0.211 119.609 119.800 0.032 0.000 2.016 375 Q HA -0.258 4.078 4.340 -0.005 0.000 0.200 375 Q C 2.316 178.326 176.000 0.018 0.000 0.978 375 Q CA 1.726 57.549 55.803 0.033 0.000 0.833 375 Q CB -0.291 28.459 28.738 0.020 0.000 0.895 375 Q HN 0.604 nan 8.270 nan 0.000 0.427 376 E N 1.228 121.422 120.200 -0.010 0.000 2.130 376 E HA -0.198 4.149 4.350 -0.005 0.000 0.196 376 E C 1.340 177.934 176.600 -0.010 0.000 0.998 376 E CA 1.492 57.870 56.400 -0.035 0.000 0.806 376 E CB -0.014 29.640 29.700 -0.077 0.000 0.738 376 E HN 0.238 nan 8.360 nan 0.000 0.459 377 D N -0.172 120.243 120.400 0.026 0.000 2.110 377 D HA -0.091 4.545 4.640 -0.005 0.000 0.202 377 D C 1.764 178.144 176.300 0.133 0.000 0.975 377 D CA 0.812 54.875 54.000 0.104 0.000 0.839 377 D CB -0.238 40.644 40.800 0.136 0.000 0.996 377 D HN 0.178 nan 8.370 nan 0.000 0.464 378 E N 0.659 120.930 120.200 0.118 0.000 2.160 378 E HA -0.190 4.157 4.350 -0.005 0.000 0.195 378 E C 1.905 178.551 176.600 0.075 0.000 0.991 378 E CA 0.645 57.111 56.400 0.110 0.000 0.810 378 E CB 0.015 29.785 29.700 0.118 0.000 0.742 378 E HN 0.279 nan 8.360 nan 0.000 0.466 379 K N 0.437 120.869 120.400 0.054 0.000 2.097 379 K HA -0.118 4.199 4.320 -0.005 0.000 0.205 379 K C 1.800 178.417 176.600 0.029 0.000 1.050 379 K CA 0.905 57.211 56.287 0.030 0.000 0.938 379 K CB 0.008 32.513 32.500 0.007 0.000 0.718 379 K HN -0.017 nan 8.250 nan 0.000 0.442 380 I N 0.545 121.140 120.570 0.041 0.000 3.860 380 I HA 0.173 4.340 4.170 -0.005 0.000 0.319 380 I C 0.343 176.518 176.117 0.098 0.000 1.279 380 I CA 0.634 61.962 61.300 0.047 0.000 1.220 380 I CB 0.720 38.728 38.000 0.014 0.000 1.027 380 I HN 0.415 nan 8.210 nan 0.000 0.428 381 G N 1.544 110.406 108.800 0.103 0.000 2.371 381 G HA2 -0.341 3.615 3.960 -0.005 0.000 0.299 381 G HA3 -0.341 3.615 3.960 -0.005 0.000 0.299 381 G C 0.153 175.138 174.900 0.142 0.000 1.014 381 G CA 0.040 45.203 45.100 0.104 0.000 1.097 381 G HN 0.310 nan 8.290 nan 0.000 0.512 382 F N 1.110 121.091 119.950 0.052 0.000 2.405 382 F HA 0.619 5.143 4.527 -0.005 0.000 0.358 382 F C 0.486 176.327 175.800 0.069 0.000 1.151 382 F CA -1.081 56.958 58.000 0.064 0.000 1.161 382 F CB 0.617 39.654 39.000 0.061 0.000 1.245 382 F HN 0.275 nan 8.300 nan 0.000 0.545 383 E N 4.258 124.167 120.200 -0.483 0.000 2.254 383 E HA 0.525 4.872 4.350 -0.005 0.000 0.261 383 E C -0.917 175.241 176.600 -0.737 0.000 1.051 383 E CA -0.604 55.555 56.400 -0.402 0.000 0.902 383 E CB 1.276 30.862 29.700 -0.190 0.000 1.168 383 E HN 0.491 nan 8.360 nan 0.000 0.423 384 I N 0.382 120.720 120.570 -0.385 0.000 2.377 384 I HA 0.281 4.448 4.170 -0.005 0.000 0.293 384 I C 0.095 176.119 176.117 -0.154 0.000 0.987 384 I CA -0.491 60.644 61.300 -0.275 0.000 1.185 384 I CB 1.718 39.658 38.000 -0.101 0.000 1.341 384 I HN 0.202 nan 8.210 nan 0.000 0.455 385 S N 3.515 119.144 115.700 -0.118 0.000 2.580 385 S HA 0.002 4.469 4.470 -0.005 0.000 0.266 385 S C 1.327 175.900 174.600 -0.044 0.000 1.354 385 S CA -0.385 57.773 58.200 -0.071 0.000 1.008 385 S CB 0.715 63.889 63.200 -0.044 0.000 0.898 385 S HN 0.821 nan 8.310 nan 0.000 0.555 386 E N 2.280 122.460 120.200 -0.032 0.000 2.046 386 E HA -0.193 4.153 4.350 -0.005 0.000 0.190 386 E C 1.464 178.053 176.600 -0.018 0.000 0.982 386 E CA 1.376 57.763 56.400 -0.022 0.000 0.800 386 E CB -0.473 29.217 29.700 -0.017 0.000 0.756 386 E HN 0.823 nan 8.360 nan 0.000 0.449 387 N N -0.010 118.681 118.700 -0.015 0.000 2.453 387 N HA -0.181 4.555 4.740 -0.005 0.000 0.183 387 N C 1.887 177.391 175.510 -0.011 0.000 1.041 387 N CA 0.512 53.555 53.050 -0.012 0.000 0.900 387 N CB -0.210 38.271 38.487 -0.009 0.000 0.961 387 N HN 0.220 nan 8.380 nan 0.000 0.443 388 Q N 0.891 120.685 119.800 -0.012 0.000 2.079 388 Q HA -0.002 4.334 4.340 -0.005 0.000 0.200 388 Q C 1.784 177.780 176.000 -0.007 0.000 0.974 388 Q CA 1.426 57.226 55.803 -0.005 0.000 0.840 388 Q CB 0.153 28.890 28.738 -0.003 0.000 0.898 388 Q HN 0.403 nan 8.270 nan 0.000 0.430 389 K N 0.127 120.520 120.400 -0.013 0.000 2.057 389 K HA -0.169 4.147 4.320 -0.005 0.000 0.207 389 K C 2.093 178.682 176.600 -0.019 0.000 1.049 389 K CA 1.291 57.569 56.287 -0.016 0.000 0.931 389 K CB -0.178 32.311 32.500 -0.018 0.000 0.714 389 K HN 0.105 nan 8.250 nan 0.000 0.440 390 R N 1.336 121.825 120.500 -0.018 0.000 2.152 390 R HA -0.164 4.173 4.340 -0.005 0.000 0.232 390 R C 2.223 178.512 176.300 -0.018 0.000 1.117 390 R CA 1.416 57.505 56.100 -0.018 0.000 0.981 390 R CB -0.051 30.240 30.300 -0.016 0.000 0.870 390 R HN 0.242 nan 8.270 nan 0.000 0.451 391 Q N 0.457 120.249 119.800 -0.014 0.000 2.062 391 Q HA -0.078 4.259 4.340 -0.005 0.000 0.196 391 Q C 1.897 177.889 176.000 -0.013 0.000 0.967 391 Q CA 1.480 57.276 55.803 -0.012 0.000 0.832 391 Q CB -0.113 28.621 28.738 -0.007 0.000 0.899 391 Q HN 0.424 nan 8.270 nan 0.000 0.442 392 A N 1.208 124.020 122.820 -0.012 0.000 1.877 392 A HA -0.065 4.251 4.320 -0.005 0.000 0.216 392 A C 2.315 179.882 177.584 -0.028 0.000 1.186 392 A CA 1.985 54.014 52.037 -0.014 0.000 0.620 392 A CB -0.935 18.059 19.000 -0.009 0.000 0.822 392 A HN 0.530 nan 8.150 nan 0.000 0.443 393 A N -1.300 121.499 122.820 -0.035 0.000 2.015 393 A HA -0.006 4.310 4.320 -0.005 0.000 0.219 393 A C 2.187 179.746 177.584 -0.042 0.000 1.163 393 A CA 1.615 53.623 52.037 -0.048 0.000 0.646 393 A CB -0.455 18.515 19.000 -0.050 0.000 0.806 393 A HN 0.544 nan 8.150 nan 0.000 0.448 394 M N -0.933 118.648 119.600 -0.031 0.000 2.175 394 M HA -0.111 4.366 4.480 -0.005 0.000 0.264 394 M C 2.080 178.364 176.300 -0.028 0.000 1.063 394 M CA 1.738 57.021 55.300 -0.028 0.000 1.119 394 M CB -0.195 32.392 32.600 -0.021 0.000 1.377 394 M HN 0.418 nan 8.290 nan 0.000 0.415 395 T N 0.000 114.539 114.554 -0.026 0.000 2.803 395 T HA -0.133 4.214 4.350 -0.005 0.000 0.269 395 T C 1.653 176.334 174.700 -0.031 0.000 1.052 395 T CA 1.431 63.517 62.100 -0.024 0.000 1.136 395 T CB -0.311 68.547 68.868 -0.017 0.000 0.864 395 T HN 0.200 nan 8.240 nan 0.000 0.467 396 V N 1.289 121.177 119.914 -0.043 0.000 2.358 396 V HA -0.112 4.005 4.120 -0.005 0.000 0.246 396 V C 2.422 178.486 176.094 -0.050 0.000 1.047 396 V CA 1.478 63.744 62.300 -0.056 0.000 1.035 396 V CB -0.508 31.267 31.823 -0.080 0.000 0.658 396 V HN 0.396 nan 8.190 nan 0.000 0.452 397 R N -0.006 120.468 120.500 -0.043 0.000 2.280 397 R HA -0.068 4.269 4.340 -0.005 0.000 0.207 397 R C 2.282 178.565 176.300 -0.030 0.000 1.043 397 R CA 0.423 56.501 56.100 -0.037 0.000 1.006 397 R CB -0.190 30.090 30.300 -0.033 0.000 0.885 397 R HN 0.365 nan 8.270 nan 0.000 0.467 398 K N 1.359 121.742 120.400 -0.028 0.000 2.062 398 K HA -0.026 4.291 4.320 -0.005 0.000 0.205 398 K C 0.735 177.322 176.600 -0.023 0.000 1.051 398 K CA 1.184 57.457 56.287 -0.023 0.000 0.941 398 K CB 0.111 32.599 32.500 -0.020 0.000 0.719 398 K HN 0.098 nan 8.250 nan 0.000 0.440 399 A N 2.177 124.981 122.820 -0.027 0.000 3.202 399 A HA 0.217 4.534 4.320 -0.005 0.000 0.258 399 A C -0.344 177.221 177.584 -0.032 0.000 1.572 399 A CA 0.404 52.425 52.037 -0.027 0.000 1.241 399 A CB -0.917 18.066 19.000 -0.029 0.000 1.127 399 A HN 0.440 nan 8.150 nan 0.000 0.648 400 S N 1.135 116.818 115.700 -0.029 0.000 3.688 400 S HA -0.117 4.349 4.470 -0.005 0.000 0.729 400 S C 0.035 174.614 174.600 -0.036 0.000 0.940 400 S CA 0.703 58.886 58.200 -0.029 0.000 1.261 400 S CB -1.119 62.066 63.200 -0.025 0.000 1.528 400 S HN 1.751 nan 8.310 nan 0.000 0.497 401 K N 0.000 120.379 120.400 -0.035 0.000 2.780 401 K HA 0.000 4.317 4.320 -0.005 0.000 0.191 401 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 401 K CB 0.000 32.477 32.500 -0.038 0.000 1.064 401 K HN 0.000 nan 8.250 nan 0.000 0.543