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 3gzn_1_B DATA FIRST_RESID 33 DATA SEQUENCE DWEGRWNHVK KFLERSGPFT HPDFEPSTES LQFLLDTCKV LVIGAGGLGC DATA SEQUENCE ELLKNLALSG FRQIHVIDMD TIDVSNLNRQ FLFRPKDIGR PKAEVAAEFL DATA SEQUENCE NDRVPNCNVV PHFNKIQDFN DTFYRQFHII VCGLDSIIAR RWINGMLISL DATA SEQUENCE LNYEDGVLDP SSIVPLIDGG TEGFKGNARV ILPGMTACIE CTLELYPPQV DATA SEQUENCE NFPMCTIASM PRLPEHCIEY VRMLQWPKEQ PFGEGVPLDG DDPEHIQWIF DATA SEQUENCE QKSLERASQY NIRGVTYRLT QGVVKRIIPA VASTNAVIAA VCATEVFKIA DATA SEQUENCE TSAYIPLNNY LVFNDVDGLY TYTFEAERKE NCPACSQLPQ NIQFSPSAKL DATA SEQUENCE QEVLDYLTNS ASLQMKSPAI TATLEGKNRT LYLQSVTSIE ERTRPNLSKX DATA SEQUENCE LKELGLVDGQ ELAVADVTTP QTVLFKLHFT 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 33 D HA 0.000 nan 4.640 nan 0.000 0.175 33 D C 0.000 176.241 176.300 -0.098 0.000 2.045 33 D CA 0.000 53.903 54.000 -0.162 0.000 0.868 33 D CB 0.000 40.743 40.800 -0.094 0.000 0.688 34 W N 0.901 122.153 121.300 -0.080 0.000 2.332 34 W HA 0.626 5.286 4.660 -0.000 0.000 0.351 34 W C 0.629 177.105 176.519 -0.071 0.000 1.195 34 W CA -0.976 56.329 57.345 -0.067 0.000 1.334 34 W CB 0.161 29.574 29.460 -0.078 0.000 1.206 34 W HN 0.223 nan 8.180 nan 0.000 0.637 35 E N 1.198 121.530 120.200 0.220 0.000 2.493 35 E HA 0.293 4.643 4.350 -0.000 0.000 0.255 35 E C 1.144 177.832 176.600 0.147 0.000 0.999 35 E CA 1.885 58.357 56.400 0.120 0.000 0.934 35 E CB 0.151 29.916 29.700 0.107 0.000 0.940 35 E HN 1.081 nan 8.360 nan 0.000 0.473 36 G N 4.932 113.742 108.800 0.017 0.000 2.258 36 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.233 36 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.233 36 G C 1.243 176.074 174.900 -0.116 0.000 1.006 36 G CA 0.512 45.610 45.100 -0.002 0.000 0.620 36 G HN 0.632 nan 8.290 nan 0.000 0.511 37 R N -0.131 120.126 120.500 -0.405 0.000 2.162 37 R HA -0.175 4.165 4.340 -0.000 0.000 0.245 37 R C 1.899 177.851 176.300 -0.580 0.000 1.129 37 R CA 2.635 58.209 56.100 -0.876 0.000 0.940 37 R CB -0.397 28.703 30.300 -2.001 0.000 0.875 37 R HN 0.627 nan 8.270 nan 0.000 0.437 38 W N 0.104 121.303 121.300 -0.168 0.000 3.330 38 W HA 0.209 4.869 4.660 -0.000 0.000 0.348 38 W C 1.145 177.645 176.519 -0.031 0.000 1.205 38 W CA -0.989 56.311 57.345 -0.075 0.000 1.841 38 W CB 0.313 29.725 29.460 -0.080 0.000 1.084 38 W HN 0.179 nan 8.180 nan 0.000 0.665 39 N N 0.072 118.815 118.700 0.072 0.000 2.348 39 N HA -0.188 4.552 4.740 -0.000 0.000 0.185 39 N C 0.911 176.394 175.510 -0.046 0.000 1.019 39 N CA 1.378 54.408 53.050 -0.033 0.000 0.880 39 N CB -0.333 38.061 38.487 -0.155 0.000 0.965 39 N HN 0.433 nan 8.380 nan 0.000 0.437 40 H N -1.498 117.672 119.070 0.167 0.000 2.535 40 H HA 0.161 4.717 4.556 -0.000 0.000 0.273 40 H C 1.600 177.101 175.328 0.289 0.000 0.983 40 H CA 0.382 56.545 56.048 0.192 0.000 1.238 40 H CB 0.637 30.495 29.762 0.160 0.000 1.412 40 H HN -0.018 nan 8.280 nan 0.000 0.562 41 V N -0.110 120.036 119.914 0.388 0.000 2.795 41 V HA -0.071 4.049 4.120 -0.000 0.000 0.243 41 V C 1.970 178.289 176.094 0.376 0.000 1.069 41 V CA 0.809 63.339 62.300 0.383 0.000 1.089 41 V CB 0.045 32.025 31.823 0.262 0.000 0.756 41 V HN 0.209 nan 8.190 nan 0.000 0.471 42 K N 0.579 121.121 120.400 0.236 0.000 2.074 42 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 42 K C 2.171 178.825 176.600 0.090 0.000 1.048 42 K CA 1.309 57.685 56.287 0.147 0.000 0.926 42 K CB -0.114 32.446 32.500 0.099 0.000 0.713 42 K HN 0.320 nan 8.250 nan 0.000 0.444 43 K N -0.038 120.345 120.400 -0.028 0.000 2.211 43 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 43 K C 1.784 178.220 176.600 -0.273 0.000 1.047 43 K CA 1.386 57.538 56.287 -0.226 0.000 0.935 43 K CB -0.227 31.999 32.500 -0.456 0.000 0.728 43 K HN 0.231 nan 8.250 nan 0.000 0.452 44 F N 0.223 120.281 119.950 0.182 0.000 2.789 44 F HA 0.114 4.641 4.527 0.000 0.000 0.300 44 F C 1.925 177.876 175.800 0.252 0.000 1.132 44 F CA 0.227 58.344 58.000 0.194 0.000 1.404 44 F CB 0.019 39.217 39.000 0.329 0.000 1.114 44 F HN -0.140 nan 8.300 nan 0.000 0.584 45 L N -1.250 120.201 121.223 0.380 0.000 2.526 45 L HA 0.125 4.465 4.340 -0.000 0.000 0.210 45 L C 1.933 178.946 176.870 0.238 0.000 1.048 45 L CA 0.446 55.495 54.840 0.349 0.000 0.852 45 L CB -0.235 41.937 42.059 0.189 0.000 1.128 45 L HN -0.045 nan 8.230 nan 0.000 0.482 46 E N 0.581 120.868 120.200 0.145 0.000 2.216 46 E HA 0.020 4.370 4.350 -0.000 0.000 0.192 46 E C 0.396 177.048 176.600 0.088 0.000 0.988 46 E CA 0.386 56.827 56.400 0.068 0.000 0.834 46 E CB 0.393 30.112 29.700 0.032 0.000 0.772 46 E HN 0.329 nan 8.360 nan 0.000 0.479 47 R N 1.074 121.648 120.500 0.122 0.000 2.540 47 R HA 0.266 4.606 4.340 -0.000 0.000 0.287 47 R C 0.087 176.502 176.300 0.192 0.000 0.980 47 R CA -0.336 55.820 56.100 0.094 0.000 0.966 47 R CB 1.722 32.022 30.300 -0.001 0.000 1.106 47 R HN 0.004 nan 8.270 nan 0.000 0.480 48 S N 0.144 115.936 115.700 0.152 0.000 2.681 48 S HA 0.829 5.299 4.470 -0.000 0.000 0.270 48 S C 0.224 174.819 174.600 -0.008 0.000 1.209 48 S CA -0.452 57.838 58.200 0.150 0.000 0.988 48 S CB 1.846 65.127 63.200 0.135 0.000 1.006 48 S HN 0.796 nan 8.310 nan 0.000 0.558 49 G N -0.410 108.348 108.800 -0.070 0.000 2.442 49 G HA2 0.477 4.437 3.960 -0.000 0.000 0.296 49 G HA3 0.477 4.437 3.960 -0.000 0.000 0.296 49 G C -2.654 172.157 174.900 -0.148 0.000 1.564 49 G CA -0.820 44.227 45.100 -0.089 0.000 0.828 49 G HN 0.454 nan 8.290 nan 0.000 0.571 50 P HA -0.037 nan 4.420 nan 0.000 0.219 50 P C 0.760 177.759 177.300 -0.502 0.000 1.146 50 P CA 1.112 63.936 63.100 -0.460 0.000 0.808 50 P CB 0.053 31.288 31.700 -0.775 0.000 0.779 51 F N 0.242 120.209 119.950 0.028 0.000 2.668 51 F HA 0.131 4.658 4.527 0.000 0.000 0.297 51 F C 1.384 177.205 175.800 0.035 0.000 1.124 51 F CA -0.522 57.535 58.000 0.096 0.000 1.353 51 F CB -0.563 38.582 39.000 0.241 0.000 0.992 51 F HN -0.171 nan 8.300 nan 0.000 0.524 52 T N -3.483 111.033 114.554 -0.063 0.000 2.882 52 T HA 0.130 4.480 4.350 -0.000 0.000 0.287 52 T C -0.170 174.533 174.700 0.004 0.000 1.014 52 T CA -0.521 61.436 62.100 -0.237 0.000 1.049 52 T CB 0.878 69.455 68.868 -0.485 0.000 1.001 52 T HN 0.278 nan 8.240 nan 0.000 0.525 53 H N 2.069 121.122 119.070 -0.029 0.000 2.928 53 H HA 0.189 4.745 4.556 -0.000 0.000 0.338 53 H C -1.665 173.706 175.328 0.072 0.000 1.047 53 H CA -1.241 54.839 56.048 0.053 0.000 1.435 53 H CB 0.641 30.446 29.762 0.071 0.000 1.428 53 H HN 0.363 nan 8.280 nan 0.000 0.590 54 P HA -0.172 nan 4.420 nan 0.000 0.219 54 P C 0.368 177.772 177.300 0.174 0.000 1.144 54 P CA 1.310 64.427 63.100 0.027 0.000 0.806 54 P CB 0.261 31.909 31.700 -0.087 0.000 0.771 55 D N -2.319 118.326 120.400 0.408 0.000 2.349 55 D HA 0.006 4.646 4.640 -0.000 0.000 0.215 55 D C 0.358 176.754 176.300 0.160 0.000 1.016 55 D CA -0.021 54.126 54.000 0.245 0.000 0.870 55 D CB -0.496 40.424 40.800 0.199 0.000 0.917 55 D HN 0.161 nan 8.370 nan 0.000 0.524 56 F N 2.248 122.234 119.950 0.059 0.000 2.578 56 F HA 0.045 4.572 4.527 -0.000 0.000 0.381 56 F C 0.246 176.027 175.800 -0.032 0.000 1.069 56 F CA -0.077 57.917 58.000 -0.011 0.000 1.231 56 F CB 0.413 39.402 39.000 -0.018 0.000 1.086 56 F HN -0.264 nan 8.300 nan 0.000 0.564 57 E N 7.942 127.748 120.200 -0.657 0.000 2.155 57 E HA 0.289 4.639 4.350 -0.000 0.000 0.264 57 E C -2.385 173.669 176.600 -0.911 0.000 0.886 57 E CA -2.161 53.891 56.400 -0.580 0.000 0.752 57 E CB 0.930 30.430 29.700 -0.332 0.000 1.133 57 E HN 0.359 nan 8.360 nan 0.000 0.414 58 P HA 0.016 nan 4.420 nan 0.000 0.271 58 P C -0.705 176.441 177.300 -0.257 0.000 1.220 58 P CA -0.056 62.800 63.100 -0.407 0.000 0.768 58 P CB 1.245 32.916 31.700 -0.047 0.000 0.848 59 S N 1.173 116.750 115.700 -0.205 0.000 2.570 59 S HA 0.417 4.887 4.470 -0.000 0.000 0.270 59 S C 0.604 175.151 174.600 -0.088 0.000 1.149 59 S CA -0.200 57.911 58.200 -0.148 0.000 0.837 59 S CB 0.881 63.966 63.200 -0.192 0.000 1.124 59 S HN 0.464 nan 8.310 nan 0.000 0.465 60 T N -0.524 113.990 114.554 -0.067 0.000 3.144 60 T HA 0.238 4.588 4.350 -0.000 0.000 0.249 60 T C 0.690 175.365 174.700 -0.042 0.000 1.089 60 T CA 0.576 62.652 62.100 -0.039 0.000 0.989 60 T CB -0.432 68.421 68.868 -0.025 0.000 0.992 60 T HN 0.771 nan 8.240 nan 0.000 0.540 61 E N 0.405 120.565 120.200 -0.067 0.000 2.734 61 E HA 0.279 4.629 4.350 -0.000 0.000 0.211 61 E C 0.779 177.346 176.600 -0.056 0.000 0.991 61 E CA -0.271 56.094 56.400 -0.057 0.000 1.065 61 E CB 0.302 29.962 29.700 -0.066 0.000 1.047 61 E HN 0.331 nan 8.360 nan 0.000 0.470 62 S N 0.861 116.520 115.700 -0.069 0.000 2.377 62 S HA -0.089 4.381 4.470 -0.000 0.000 0.223 62 S C 1.711 176.306 174.600 -0.008 0.000 1.030 62 S CA 0.645 58.820 58.200 -0.042 0.000 0.970 62 S CB -0.158 62.989 63.200 -0.089 0.000 0.830 62 S HN 0.298 nan 8.310 nan 0.000 0.473 63 L N 2.089 123.278 121.223 -0.057 0.000 1.976 63 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 63 L C 2.387 179.160 176.870 -0.161 0.000 1.071 63 L CA 1.969 56.723 54.840 -0.143 0.000 0.746 63 L CB -0.979 40.992 42.059 -0.146 0.000 0.890 63 L HN 0.119 nan 8.230 nan 0.000 0.432 64 Q N -1.081 118.670 119.800 -0.082 0.000 2.135 64 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 64 Q C 2.061 178.056 176.000 -0.008 0.000 0.981 64 Q CA 2.175 57.947 55.803 -0.050 0.000 0.856 64 Q CB -0.683 28.053 28.738 -0.003 0.000 0.902 64 Q HN 0.592 nan 8.270 nan 0.000 0.425 65 F N -0.393 119.477 119.950 -0.134 0.000 2.171 65 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 65 F C 1.703 177.413 175.800 -0.150 0.000 1.090 65 F CA 1.209 59.133 58.000 -0.127 0.000 1.293 65 F CB -0.406 38.515 39.000 -0.133 0.000 1.013 65 F HN 0.252 nan 8.300 nan 0.000 0.486 66 L N 0.121 121.223 121.223 -0.203 0.000 2.005 66 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 66 L C 2.181 178.858 176.870 -0.322 0.000 1.072 66 L CA 1.803 56.432 54.840 -0.351 0.000 0.744 66 L CB -0.925 40.887 42.059 -0.412 0.000 0.895 66 L HN 0.180 nan 8.230 nan 0.000 0.433 67 L N -0.335 120.713 121.223 -0.292 0.000 2.042 67 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 67 L C 2.183 178.982 176.870 -0.117 0.000 1.076 67 L CA 1.455 56.166 54.840 -0.215 0.000 0.749 67 L CB -0.797 41.130 42.059 -0.220 0.000 0.893 67 L HN 0.336 nan 8.230 nan 0.000 0.432 68 D N -1.231 119.092 120.400 -0.129 0.000 2.120 68 D HA -0.099 4.541 4.640 -0.000 0.000 0.202 68 D C 2.113 178.344 176.300 -0.114 0.000 0.972 68 D CA 1.989 55.935 54.000 -0.090 0.000 0.837 68 D CB 0.005 40.765 40.800 -0.066 0.000 0.989 68 D HN 0.387 nan 8.370 nan 0.000 0.469 69 T N -3.273 111.141 114.554 -0.234 0.000 3.004 69 T HA 0.109 4.459 4.350 -0.000 0.000 0.266 69 T C 0.868 175.464 174.700 -0.174 0.000 0.986 69 T CA -0.421 61.533 62.100 -0.243 0.000 0.902 69 T CB -0.559 68.069 68.868 -0.399 0.000 1.118 69 T HN 0.079 nan 8.240 nan 0.000 0.522 70 C N 3.919 123.115 119.300 -0.173 0.000 2.383 70 C HA 0.461 4.921 4.460 -0.000 0.000 0.350 70 C C 0.408 175.562 174.990 0.273 0.000 1.173 70 C CA -0.867 58.172 59.018 0.035 0.000 1.645 70 C CB -1.649 26.085 27.740 -0.009 0.000 2.221 70 C HN 0.407 nan 8.230 nan 0.000 0.528 71 K N 4.678 125.312 120.400 0.390 0.000 2.312 71 K HA 0.473 4.793 4.320 -0.000 0.000 0.287 71 K C -0.651 176.112 176.600 0.271 0.000 1.062 71 K CA -0.116 56.285 56.287 0.191 0.000 0.934 71 K CB 0.998 33.402 32.500 -0.161 0.000 1.027 71 K HN 0.558 nan 8.250 nan 0.000 0.478 72 V N 5.029 125.108 119.914 0.275 0.000 2.540 72 V HA 0.300 4.420 4.120 -0.000 0.000 0.302 72 V C -0.840 175.285 176.094 0.051 0.000 1.035 72 V CA -1.048 61.323 62.300 0.118 0.000 0.873 72 V CB 1.633 33.397 31.823 -0.099 0.000 0.992 72 V HN 0.550 nan 8.190 nan 0.000 0.428 73 L N 6.322 127.401 121.223 -0.240 0.000 2.287 73 L HA 0.677 5.017 4.340 -0.000 0.000 0.287 73 L C -0.496 176.223 176.870 -0.251 0.000 1.022 73 L CA 0.097 54.635 54.840 -0.503 0.000 0.814 73 L CB 1.602 42.817 42.059 -1.406 0.000 1.217 73 L HN 0.446 nan 8.230 nan 0.000 0.420 74 V N 6.912 126.753 119.914 -0.122 0.000 2.407 74 V HA 0.402 4.522 4.120 -0.000 0.000 0.278 74 V C 0.226 176.302 176.094 -0.030 0.000 1.037 74 V CA -0.284 61.976 62.300 -0.068 0.000 0.900 74 V CB 1.410 33.212 31.823 -0.034 0.000 0.983 74 V HN 0.605 nan 8.190 nan 0.000 0.459 75 I N 4.616 125.175 120.570 -0.019 0.000 2.354 75 I HA 0.709 4.879 4.170 -0.000 0.000 0.286 75 I C 0.561 176.694 176.117 0.027 0.000 1.007 75 I CA -0.109 61.206 61.300 0.025 0.000 1.167 75 I CB 1.369 39.395 38.000 0.042 0.000 1.320 75 I HN 0.864 nan 8.210 nan 0.000 0.458 76 G N 4.444 113.272 108.800 0.046 0.000 3.225 76 G HA2 0.112 4.072 3.960 -0.000 0.000 0.686 76 G HA3 0.112 4.072 3.960 -0.000 0.000 0.686 76 G C -0.362 174.561 174.900 0.038 0.000 1.105 76 G CA -0.329 44.797 45.100 0.042 0.000 0.831 76 G HN 0.914 nan 8.290 nan 0.000 0.578 77 A N 1.647 124.504 122.820 0.062 0.000 2.827 77 A HA 0.788 5.108 4.320 -0.000 0.000 0.300 77 A C 1.376 179.026 177.584 0.109 0.000 1.237 77 A CA 1.151 53.232 52.037 0.074 0.000 0.964 77 A CB -0.196 18.883 19.000 0.131 0.000 1.143 77 A HN 2.077 nan 8.150 nan 0.000 0.554 78 G N -0.523 108.309 108.800 0.053 0.000 2.714 78 G HA2 0.425 4.385 3.960 -0.000 0.000 0.197 78 G HA3 0.425 4.385 3.960 -0.000 0.000 0.197 78 G C 1.170 176.058 174.900 -0.020 0.000 1.449 78 G CA 0.255 45.391 45.100 0.059 0.000 1.065 78 G HN 0.495 nan 8.290 nan 0.000 0.575 79 G N -0.270 108.525 108.800 -0.007 0.000 2.628 79 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 79 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 79 G C 1.815 176.696 174.900 -0.032 0.000 1.240 79 G CA 1.030 46.117 45.100 -0.022 0.000 0.792 79 G HN 0.355 nan 8.290 nan 0.000 0.593 80 L N 0.893 122.105 121.223 -0.018 0.000 2.042 80 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 80 L C 3.211 180.058 176.870 -0.039 0.000 1.076 80 L CA 1.113 55.940 54.840 -0.021 0.000 0.749 80 L CB -0.748 41.301 42.059 -0.017 0.000 0.893 80 L HN 0.393 nan 8.230 nan 0.000 0.432 81 G N -0.707 108.065 108.800 -0.047 0.000 2.545 81 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 81 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 81 G C 1.635 176.464 174.900 -0.119 0.000 1.218 81 G CA 1.041 46.106 45.100 -0.059 0.000 0.787 81 G HN 0.429 nan 8.290 nan 0.000 0.571 82 C N 0.094 119.251 119.300 -0.239 0.000 2.385 82 C HA -0.069 4.391 4.460 -0.000 0.000 0.275 82 C C 2.767 177.592 174.990 -0.276 0.000 1.207 82 C CA 1.341 60.066 59.018 -0.488 0.000 1.760 82 C CB -0.910 26.224 27.740 -1.008 0.000 2.051 82 C HN 0.655 nan 8.230 nan 0.000 0.467 83 E N 0.459 120.629 120.200 -0.050 0.000 2.077 83 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 83 E C 2.016 178.652 176.600 0.060 0.000 0.989 83 E CA 1.018 57.512 56.400 0.157 0.000 0.800 83 E CB -0.266 29.513 29.700 0.133 0.000 0.746 83 E HN 0.586 nan 8.360 nan 0.000 0.452 84 L N -0.083 121.138 121.223 -0.003 0.000 2.012 84 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 84 L C 2.470 179.336 176.870 -0.005 0.000 1.073 84 L CA 1.005 55.833 54.840 -0.019 0.000 0.748 84 L CB -0.471 41.562 42.059 -0.044 0.000 0.891 84 L HN 0.226 nan 8.230 nan 0.000 0.431 85 L N -0.055 121.160 121.223 -0.014 0.000 2.042 85 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 85 L C 2.784 179.691 176.870 0.061 0.000 1.076 85 L CA 1.545 56.388 54.840 0.006 0.000 0.749 85 L CB -0.489 41.549 42.059 -0.035 0.000 0.893 85 L HN 0.301 nan 8.230 nan 0.000 0.432 86 K N 0.130 120.583 120.400 0.087 0.000 2.009 86 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 86 K C 1.934 178.608 176.600 0.123 0.000 1.049 86 K CA 1.877 58.252 56.287 0.146 0.000 0.929 86 K CB -0.066 32.578 32.500 0.241 0.000 0.714 86 K HN 0.251 nan 8.250 nan 0.000 0.440 87 N N 1.057 119.810 118.700 0.088 0.000 2.104 87 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 87 N C 1.936 177.513 175.510 0.112 0.000 1.024 87 N CA 1.341 54.431 53.050 0.067 0.000 0.853 87 N CB -0.304 38.196 38.487 0.022 0.000 1.008 87 N HN 0.246 nan 8.380 nan 0.000 0.424 88 L N 0.442 121.730 121.223 0.108 0.000 2.056 88 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 88 L C 2.459 179.522 176.870 0.321 0.000 1.078 88 L CA 1.051 56.009 54.840 0.196 0.000 0.749 88 L CB -0.598 41.458 42.059 -0.004 0.000 0.901 88 L HN 0.089 nan 8.230 nan 0.000 0.433 89 A N 0.400 123.363 122.820 0.239 0.000 1.908 89 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 89 A C 2.171 179.960 177.584 0.342 0.000 1.181 89 A CA 1.560 53.759 52.037 0.270 0.000 0.627 89 A CB -0.739 18.394 19.000 0.222 0.000 0.818 89 A HN 0.405 nan 8.150 nan 0.000 0.445 90 L N -0.523 120.874 121.223 0.291 0.000 2.554 90 L HA 0.041 4.381 4.340 -0.000 0.000 0.226 90 L C 1.766 178.844 176.870 0.347 0.000 1.137 90 L CA 0.502 55.540 54.840 0.331 0.000 0.863 90 L CB 0.057 42.234 42.059 0.197 0.000 0.985 90 L HN 0.230 nan 8.230 nan 0.000 0.451 91 S N -0.417 115.436 115.700 0.255 0.000 2.556 91 S HA 0.243 4.713 4.470 -0.000 0.000 0.216 91 S C 1.379 175.986 174.600 0.013 0.000 0.970 91 S CA 0.648 58.932 58.200 0.139 0.000 0.912 91 S CB 0.613 63.934 63.200 0.202 0.000 0.790 91 S HN 0.612 nan 8.310 nan 0.000 0.504 92 G N 0.936 109.642 108.800 -0.157 0.000 2.159 92 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.227 92 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.227 92 G C -0.065 174.516 174.900 -0.531 0.000 0.986 92 G CA -0.613 44.065 45.100 -0.703 0.000 0.651 92 G HN 0.411 nan 8.290 nan 0.000 0.523 93 F N -0.282 119.630 119.950 -0.063 0.000 2.375 93 F HA 0.737 5.264 4.527 0.000 0.000 0.333 93 F C 1.545 177.353 175.800 0.013 0.000 1.104 93 F CA 0.135 58.127 58.000 -0.014 0.000 1.149 93 F CB 1.460 40.486 39.000 0.044 0.000 1.190 93 F HN 0.017 nan 8.300 nan 0.000 0.533 94 R N -0.281 120.336 120.500 0.194 0.000 2.725 94 R HA 0.133 4.473 4.340 -0.000 0.000 0.207 94 R C -0.335 176.049 176.300 0.139 0.000 0.924 94 R CA 0.026 56.210 56.100 0.141 0.000 1.098 94 R CB 0.441 30.786 30.300 0.075 0.000 1.602 94 R HN 0.482 nan 8.270 nan 0.000 0.615 95 Q N 1.827 121.721 119.800 0.157 0.000 2.681 95 Q HA 0.305 4.645 4.340 -0.000 0.000 0.222 95 Q C -0.757 175.396 176.000 0.255 0.000 1.258 95 Q CA 0.307 56.213 55.803 0.172 0.000 1.014 95 Q CB 0.607 29.433 28.738 0.147 0.000 1.384 95 Q HN 0.347 nan 8.270 nan 0.000 0.570 96 I N 1.623 122.314 120.570 0.201 0.000 2.441 96 I HA 0.326 4.496 4.170 -0.000 0.000 0.295 96 I C 0.297 176.519 176.117 0.175 0.000 0.994 96 I CA -0.694 60.728 61.300 0.203 0.000 1.144 96 I CB 1.455 39.526 38.000 0.120 0.000 1.314 96 I HN 0.344 nan 8.210 nan 0.000 0.445 97 H N 4.511 123.654 119.070 0.121 0.000 2.621 97 H HA 0.685 5.241 4.556 -0.000 0.000 0.360 97 H C -1.004 174.369 175.328 0.075 0.000 1.163 97 H CA -0.836 55.300 56.048 0.148 0.000 1.194 97 H CB 2.737 32.695 29.762 0.327 0.000 1.649 97 H HN 0.350 nan 8.280 nan 0.000 0.532 98 V N 0.737 120.778 119.914 0.211 0.000 2.709 98 V HA 0.539 4.659 4.120 -0.000 0.000 0.308 98 V C -0.339 175.907 176.094 0.254 0.000 1.062 98 V CA -0.915 61.481 62.300 0.161 0.000 0.901 98 V CB 1.780 33.658 31.823 0.092 0.000 1.003 98 V HN 0.545 nan 8.190 nan 0.000 0.425 99 I N 3.311 124.005 120.570 0.207 0.000 2.433 99 I HA 0.713 4.883 4.170 -0.000 0.000 0.292 99 I C -0.886 175.336 176.117 0.175 0.000 1.001 99 I CA -0.028 61.417 61.300 0.243 0.000 1.119 99 I CB 1.867 40.003 38.000 0.227 0.000 1.289 99 I HN 0.755 nan 8.210 nan 0.000 0.438 100 D N 6.239 126.757 120.400 0.196 0.000 2.931 100 D HA 0.257 4.897 4.640 -0.000 0.000 0.215 100 D C -0.040 176.393 176.300 0.222 0.000 1.297 100 D CA -0.467 53.626 54.000 0.155 0.000 0.892 100 D CB 1.922 42.794 40.800 0.120 0.000 1.642 100 D HN 0.641 nan 8.370 nan 0.000 0.560 101 M N 0.516 120.205 119.600 0.149 0.000 2.492 101 M HA 0.323 4.803 4.480 -0.000 0.000 0.255 101 M C 0.100 176.544 176.300 0.240 0.000 1.139 101 M CA 0.186 55.572 55.300 0.143 0.000 1.096 101 M CB 0.301 32.893 32.600 -0.014 0.000 1.360 101 M HN -0.069 nan 8.290 nan 0.000 0.480 102 D N 1.793 122.279 120.400 0.143 0.000 2.377 102 D HA 0.323 4.963 4.640 -0.000 0.000 0.245 102 D C -0.438 175.877 176.300 0.024 0.000 1.196 102 D CA 0.230 54.273 54.000 0.072 0.000 0.962 102 D CB 1.335 42.137 40.800 0.004 0.000 1.127 102 D HN 0.033 nan 8.370 nan 0.000 0.471 103 T N -0.249 114.273 114.554 -0.054 0.000 2.942 103 T HA 0.548 4.898 4.350 -0.000 0.000 0.289 103 T C -0.121 174.446 174.700 -0.222 0.000 1.044 103 T CA -0.689 61.313 62.100 -0.163 0.000 1.023 103 T CB 0.534 69.345 68.868 -0.095 0.000 1.123 103 T HN 0.152 nan 8.240 nan 0.000 0.512 104 I N 3.168 123.549 120.570 -0.316 0.000 2.471 104 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 104 I C 0.335 176.344 176.117 -0.180 0.000 1.079 104 I CA 0.002 61.092 61.300 -0.350 0.000 1.398 104 I CB 0.643 38.339 38.000 -0.505 0.000 1.403 104 I HN 0.629 nan 8.210 nan 0.000 0.530 105 D N 4.063 124.388 120.400 -0.125 0.000 2.272 105 D HA 0.203 4.843 4.640 -0.000 0.000 0.247 105 D C 0.656 176.939 176.300 -0.028 0.000 0.990 105 D CA -0.595 53.368 54.000 -0.062 0.000 0.931 105 D CB 2.220 42.993 40.800 -0.044 0.000 1.195 105 D HN 0.231 nan 8.370 nan 0.000 0.477 106 V N 1.830 121.738 119.914 -0.011 0.000 2.626 106 V HA -0.142 3.978 4.120 -0.000 0.000 0.252 106 V C 1.651 177.757 176.094 0.020 0.000 1.067 106 V CA 2.536 64.841 62.300 0.008 0.000 1.081 106 V CB -0.444 31.384 31.823 0.010 0.000 0.686 106 V HN 0.697 nan 8.190 nan 0.000 0.468 107 S N -1.207 114.502 115.700 0.015 0.000 2.528 107 S HA -0.046 4.424 4.470 -0.000 0.000 0.219 107 S C 1.477 176.095 174.600 0.031 0.000 0.985 107 S CA 0.956 59.168 58.200 0.021 0.000 0.914 107 S CB -0.856 62.352 63.200 0.013 0.000 0.776 107 S HN 0.764 nan 8.310 nan 0.000 0.526 108 N N 1.464 120.188 118.700 0.040 0.000 2.289 108 N HA 0.010 4.750 4.740 -0.000 0.000 0.184 108 N C 0.922 176.490 175.510 0.096 0.000 1.016 108 N CA 0.771 53.868 53.050 0.078 0.000 0.872 108 N CB -0.250 38.307 38.487 0.116 0.000 0.973 108 N HN 0.213 nan 8.380 nan 0.000 0.433 109 L N 1.823 123.097 121.223 0.085 0.000 2.456 109 L HA -0.080 4.260 4.340 -0.000 0.000 0.224 109 L C 1.776 178.686 176.870 0.067 0.000 1.148 109 L CA 1.170 56.062 54.840 0.088 0.000 0.825 109 L CB -1.282 40.824 42.059 0.077 0.000 0.937 109 L HN 0.426 nan 8.230 nan 0.000 0.450 110 N N 0.407 119.139 118.700 0.053 0.000 2.515 110 N HA -0.143 4.597 4.740 -0.000 0.000 0.185 110 N C 1.451 176.991 175.510 0.050 0.000 1.109 110 N CA 0.691 53.768 53.050 0.045 0.000 0.903 110 N CB 0.179 38.686 38.487 0.034 0.000 0.969 110 N HN 0.568 nan 8.380 nan 0.000 0.450 111 R N -1.182 119.352 120.500 0.057 0.000 2.880 111 R HA 0.109 4.449 4.340 -0.000 0.000 0.156 111 R C -0.172 176.170 176.300 0.070 0.000 0.884 111 R CA -0.251 55.892 56.100 0.071 0.000 1.623 111 R CB -0.362 29.968 30.300 0.049 0.000 1.687 111 R HN 0.007 nan 8.270 nan 0.000 0.538 112 Q N 2.630 122.426 119.800 -0.007 0.000 3.004 112 Q HA 0.101 4.441 4.340 -0.000 0.000 0.256 112 Q C 0.017 175.750 176.000 -0.447 0.000 1.387 112 Q CA -0.164 55.509 55.803 -0.218 0.000 0.962 112 Q CB -0.113 28.630 28.738 0.008 0.000 1.676 112 Q HN 0.427 nan 8.270 nan 0.000 0.568 113 F N -1.523 118.210 119.950 -0.361 0.000 2.641 113 F HA -0.035 4.492 4.527 -0.000 0.000 0.298 113 F C 0.870 176.315 175.800 -0.592 0.000 1.146 113 F CA 0.486 58.274 58.000 -0.354 0.000 1.464 113 F CB -0.183 38.655 39.000 -0.270 0.000 1.101 113 F HN 0.253 nan 8.300 nan 0.000 0.585 114 L N -0.414 120.025 121.223 -1.307 0.000 2.599 114 L HA 0.135 4.475 4.340 -0.000 0.000 0.230 114 L C -0.310 176.158 176.870 -0.670 0.000 1.141 114 L CA 0.128 54.150 54.840 -1.363 0.000 0.877 114 L CB -0.517 40.732 42.059 -1.351 0.000 1.009 114 L HN 0.082 nan 8.230 nan 0.000 0.447 115 F N -0.060 119.782 119.950 -0.180 0.000 2.444 115 F HA 0.494 5.021 4.527 -0.000 0.000 0.342 115 F C 0.450 176.265 175.800 0.026 0.000 1.121 115 F CA -1.321 56.656 58.000 -0.039 0.000 0.997 115 F CB 1.066 40.025 39.000 -0.069 0.000 1.130 115 F HN -0.200 nan 8.300 nan 0.000 0.454 116 R N 2.455 123.107 120.500 0.254 0.000 2.643 116 R HA 0.355 4.695 4.340 -0.000 0.000 0.272 116 R C -1.980 174.394 176.300 0.123 0.000 0.995 116 R CA -2.734 53.468 56.100 0.170 0.000 1.032 116 R CB 0.402 30.798 30.300 0.160 0.000 1.126 116 R HN 0.239 nan 8.270 nan 0.000 0.505 117 P HA -0.122 nan 4.420 nan 0.000 0.222 117 P C 0.439 177.761 177.300 0.037 0.000 1.147 117 P CA 1.273 64.406 63.100 0.055 0.000 0.790 117 P CB 0.156 31.883 31.700 0.045 0.000 0.780 118 K N -1.172 119.253 120.400 0.042 0.000 2.551 118 K HA 0.006 4.326 4.320 -0.000 0.000 0.192 118 K C 0.668 177.278 176.600 0.016 0.000 1.027 118 K CA 0.815 57.117 56.287 0.026 0.000 1.059 118 K CB -0.363 32.154 32.500 0.027 0.000 0.831 118 K HN 0.007 nan 8.250 nan 0.000 0.508 119 D N 0.866 121.277 120.400 0.019 0.000 2.407 119 D HA 0.139 4.779 4.640 -0.000 0.000 0.208 119 D C 0.294 176.549 176.300 -0.075 0.000 1.083 119 D CA -0.133 53.859 54.000 -0.013 0.000 0.844 119 D CB 0.278 41.097 40.800 0.033 0.000 0.967 119 D HN 0.210 nan 8.370 nan 0.000 0.506 120 I N 0.930 121.467 120.570 -0.055 0.000 2.906 120 I HA -0.078 4.092 4.170 -0.000 0.000 0.301 120 I C 1.640 177.707 176.117 -0.084 0.000 1.221 120 I CA 1.159 62.414 61.300 -0.074 0.000 1.435 120 I CB 0.300 38.278 38.000 -0.037 0.000 1.345 120 I HN 0.218 nan 8.210 nan 0.000 0.558 121 G N 4.761 113.493 108.800 -0.113 0.000 2.175 121 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 121 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 121 G C 0.372 175.187 174.900 -0.142 0.000 0.982 121 G CA -0.437 44.601 45.100 -0.103 0.000 0.641 121 G HN 0.574 nan 8.290 nan 0.000 0.527 122 R N 0.633 121.018 120.500 -0.193 0.000 2.573 122 R HA 0.511 4.851 4.340 -0.000 0.000 0.272 122 R C -2.667 173.402 176.300 -0.386 0.000 1.009 122 R CA -1.913 54.037 56.100 -0.250 0.000 1.059 122 R CB 0.938 31.120 30.300 -0.198 0.000 1.112 122 R HN 0.032 nan 8.270 nan 0.000 0.517 123 P HA 0.103 nan 4.420 nan 0.000 0.282 123 P C -0.411 176.606 177.300 -0.471 0.000 1.274 123 P CA -0.094 62.554 63.100 -0.754 0.000 0.770 123 P CB 0.814 31.640 31.700 -1.458 0.000 0.867 124 K N 3.159 123.310 120.400 -0.415 0.000 2.032 124 K HA -0.284 4.036 4.320 -0.000 0.000 0.218 124 K C 2.016 178.610 176.600 -0.010 0.000 1.054 124 K CA 2.327 58.421 56.287 -0.321 0.000 0.941 124 K CB -0.863 31.534 32.500 -0.172 0.000 0.720 124 K HN 0.451 nan 8.250 nan 0.000 0.449 125 A N 1.516 124.339 122.820 0.004 0.000 1.884 125 A HA -0.344 3.976 4.320 -0.000 0.000 0.219 125 A C 2.171 179.773 177.584 0.029 0.000 1.197 125 A CA 2.224 54.297 52.037 0.059 0.000 0.637 125 A CB -0.793 18.274 19.000 0.112 0.000 0.827 125 A HN 0.529 nan 8.150 nan 0.000 0.450 126 E N -0.458 119.715 120.200 -0.045 0.000 2.033 126 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 126 E C 1.953 178.564 176.600 0.017 0.000 1.011 126 E CA 2.051 58.425 56.400 -0.043 0.000 0.815 126 E CB -0.217 29.408 29.700 -0.124 0.000 0.755 126 E HN 0.350 nan 8.360 nan 0.000 0.451 127 V N 1.160 121.095 119.914 0.036 0.000 2.358 127 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 127 V C 2.487 178.730 176.094 0.248 0.000 1.047 127 V CA 1.750 64.145 62.300 0.158 0.000 1.035 127 V CB -0.831 31.107 31.823 0.193 0.000 0.658 127 V HN 0.452 nan 8.190 nan 0.000 0.452 128 A N 0.115 123.095 122.820 0.267 0.000 1.902 128 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 128 A C 2.366 180.004 177.584 0.090 0.000 1.181 128 A CA 2.028 54.137 52.037 0.120 0.000 0.623 128 A CB -0.695 18.352 19.000 0.078 0.000 0.818 128 A HN 0.572 nan 8.150 nan 0.000 0.443 129 A N -0.718 122.151 122.820 0.083 0.000 2.014 129 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 129 A C 1.985 179.620 177.584 0.084 0.000 1.163 129 A CA 1.480 53.554 52.037 0.062 0.000 0.652 129 A CB -0.359 18.652 19.000 0.018 0.000 0.808 129 A HN 0.678 nan 8.150 nan 0.000 0.449 130 E N -1.066 119.196 120.200 0.102 0.000 2.046 130 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 130 E C 1.764 178.434 176.600 0.117 0.000 0.982 130 E CA 0.866 57.318 56.400 0.087 0.000 0.800 130 E CB -0.245 29.501 29.700 0.077 0.000 0.756 130 E HN 0.586 nan 8.360 nan 0.000 0.449 131 F N 1.285 121.249 119.950 0.023 0.000 2.046 131 F HA -0.227 4.300 4.527 0.000 0.000 0.297 131 F C 2.269 178.085 175.800 0.028 0.000 1.123 131 F CA 1.398 59.410 58.000 0.020 0.000 1.199 131 F CB -0.118 38.879 39.000 -0.005 0.000 0.972 131 F HN 0.035 nan 8.300 nan 0.000 0.474 132 L N 0.235 121.676 121.223 0.363 0.000 2.012 132 L HA -0.306 4.033 4.340 -0.000 0.000 0.210 132 L C 2.064 179.038 176.870 0.173 0.000 1.073 132 L CA 1.448 56.444 54.840 0.261 0.000 0.748 132 L CB -0.658 41.497 42.059 0.159 0.000 0.891 132 L HN 0.204 nan 8.230 nan 0.000 0.431 133 N N -0.431 118.341 118.700 0.121 0.000 2.381 133 N HA -0.198 4.542 4.740 -0.000 0.000 0.182 133 N C 1.360 176.909 175.510 0.066 0.000 1.025 133 N CA 1.335 54.437 53.050 0.087 0.000 0.888 133 N CB -0.222 38.301 38.487 0.060 0.000 0.965 133 N HN 0.397 nan 8.380 nan 0.000 0.438 134 D N 0.154 120.575 120.400 0.035 0.000 2.162 134 D HA -0.022 4.618 4.640 -0.000 0.000 0.205 134 D C 1.995 178.292 176.300 -0.005 0.000 0.964 134 D CA 0.552 54.544 54.000 -0.013 0.000 0.847 134 D CB 0.234 40.980 40.800 -0.090 0.000 0.988 134 D HN -0.053 nan 8.370 nan 0.000 0.480 135 R N -0.171 120.342 120.500 0.021 0.000 2.090 135 R HA 0.133 4.473 4.340 -0.000 0.000 0.228 135 R C -0.181 176.196 176.300 0.128 0.000 1.110 135 R CA 0.791 56.932 56.100 0.069 0.000 0.973 135 R CB -0.055 30.359 30.300 0.189 0.000 0.869 135 R HN 0.028 nan 8.270 nan 0.000 0.440 136 V N 3.553 123.563 119.914 0.160 0.000 2.277 136 V HA 0.355 4.475 4.120 -0.000 0.000 0.269 136 V C -2.314 173.887 176.094 0.178 0.000 1.036 136 V CA -2.221 60.190 62.300 0.186 0.000 0.821 136 V CB 1.189 33.136 31.823 0.205 0.000 1.052 136 V HN 0.150 nan 8.190 nan 0.000 0.462 137 P HA 0.038 nan 4.420 nan 0.000 0.263 137 P C 0.661 178.065 177.300 0.174 0.000 1.175 137 P CA 0.660 63.878 63.100 0.197 0.000 0.761 137 P CB 0.184 32.077 31.700 0.322 0.000 0.794 138 N N -1.859 116.924 118.700 0.138 0.000 2.900 138 N HA -0.201 4.539 4.740 -0.000 0.000 0.240 138 N C 0.025 175.609 175.510 0.123 0.000 0.953 138 N CA 0.595 53.719 53.050 0.123 0.000 0.950 138 N CB -1.994 36.572 38.487 0.132 0.000 1.102 138 N HN 0.415 nan 8.380 nan 0.000 0.593 139 C N 1.796 121.177 119.300 0.134 0.000 2.637 139 C HA 0.218 4.678 4.460 -0.000 0.000 0.418 139 C C 1.267 176.311 174.990 0.090 0.000 1.319 139 C CA -0.051 59.046 59.018 0.132 0.000 1.949 139 C CB -0.105 27.725 27.740 0.150 0.000 2.639 139 C HN 0.292 nan 8.230 nan 0.000 0.594 140 N N 3.433 122.179 118.700 0.077 0.000 2.806 140 N HA 0.233 4.973 4.740 -0.000 0.000 0.315 140 N C -0.688 174.823 175.510 0.001 0.000 1.738 140 N CA -0.163 52.910 53.050 0.037 0.000 0.993 140 N CB 0.395 38.905 38.487 0.038 0.000 1.324 140 N HN 0.486 nan 8.380 nan 0.000 0.493 141 V N 1.170 121.090 119.914 0.010 0.000 2.479 141 V HA 0.148 4.268 4.120 -0.000 0.000 0.281 141 V C 0.308 176.341 176.094 -0.102 0.000 1.031 141 V CA -0.357 61.929 62.300 -0.023 0.000 1.038 141 V CB 1.016 32.853 31.823 0.023 0.000 0.981 141 V HN 0.031 nan 8.190 nan 0.000 0.478 142 V N 8.487 128.258 119.914 -0.238 0.000 2.328 142 V HA 0.356 4.476 4.120 -0.000 0.000 0.278 142 V C -2.109 173.790 176.094 -0.326 0.000 1.021 142 V CA -1.733 60.354 62.300 -0.356 0.000 0.838 142 V CB 1.641 33.044 31.823 -0.700 0.000 0.999 142 V HN 0.751 nan 8.190 nan 0.000 0.447 143 P HA 0.330 nan 4.420 nan 0.000 0.285 143 P C -0.946 176.225 177.300 -0.215 0.000 1.259 143 P CA -0.234 62.788 63.100 -0.130 0.000 0.794 143 P CB 0.720 32.399 31.700 -0.035 0.000 0.940 144 H N 3.100 122.282 119.070 0.187 0.000 2.718 144 H HA 0.186 4.742 4.556 -0.000 0.000 0.295 144 H C -0.700 174.792 175.328 0.274 0.000 1.051 144 H CA -0.520 55.677 56.048 0.248 0.000 1.260 144 H CB 0.443 30.390 29.762 0.308 0.000 1.403 144 H HN 0.323 nan 8.280 nan 0.000 0.488 145 F N 4.481 124.519 119.950 0.146 0.000 2.600 145 F HA 0.214 4.741 4.527 -0.000 0.000 0.345 145 F C -0.677 175.149 175.800 0.043 0.000 1.271 145 F CA -0.707 57.334 58.000 0.068 0.000 1.138 145 F CB -0.622 38.390 39.000 0.020 0.000 1.449 145 F HN 0.444 nan 8.300 nan 0.000 0.645 146 N N 2.960 121.679 118.700 0.032 0.000 2.745 146 N HA 0.235 4.975 4.740 -0.000 0.000 0.256 146 N C -1.518 173.943 175.510 -0.082 0.000 1.268 146 N CA -1.098 51.872 53.050 -0.134 0.000 0.887 146 N CB 1.600 40.045 38.487 -0.070 0.000 1.575 146 N HN 0.217 nan 8.380 nan 0.000 0.496 147 K N 1.166 121.449 120.400 -0.195 0.000 2.295 147 K HA 0.284 4.604 4.320 -0.000 0.000 0.270 147 K C 1.237 177.760 176.600 -0.128 0.000 1.011 147 K CA -0.280 55.904 56.287 -0.171 0.000 0.953 147 K CB 0.843 33.198 32.500 -0.242 0.000 0.956 147 K HN 0.562 nan 8.250 nan 0.000 0.477 148 I N -0.503 119.997 120.570 -0.116 0.000 2.361 148 I HA -0.296 3.874 4.170 -0.000 0.000 0.251 148 I C 1.368 177.318 176.117 -0.280 0.000 1.133 148 I CA 1.077 62.371 61.300 -0.010 0.000 1.413 148 I CB -0.289 37.698 38.000 -0.022 0.000 1.073 148 I HN 0.513 nan 8.210 nan 0.000 0.424 149 Q N 1.776 121.170 119.800 -0.677 0.000 2.135 149 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 149 Q C 1.800 177.672 176.000 -0.214 0.000 0.981 149 Q CA 2.112 57.507 55.803 -0.681 0.000 0.856 149 Q CB -0.497 27.912 28.738 -0.547 0.000 0.902 149 Q HN 0.538 nan 8.270 nan 0.000 0.425 150 D N -0.190 120.029 120.400 -0.301 0.000 2.203 150 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 150 D C -0.138 175.879 176.300 -0.471 0.000 0.997 150 D CA 1.061 54.797 54.000 -0.440 0.000 0.863 150 D CB -0.150 40.227 40.800 -0.704 0.000 0.928 150 D HN 0.167 nan 8.370 nan 0.000 0.458 151 F N 0.580 120.485 119.950 -0.074 0.000 2.377 151 F HA 0.232 4.759 4.527 -0.000 0.000 0.328 151 F C 1.196 177.176 175.800 0.300 0.000 1.094 151 F CA -1.172 56.800 58.000 -0.048 0.000 1.093 151 F CB 0.792 39.581 39.000 -0.353 0.000 1.214 151 F HN -0.165 nan 8.300 nan 0.000 0.518 152 N N -0.650 118.321 118.700 0.453 0.000 2.879 152 N HA 0.201 4.941 4.740 -0.000 0.000 0.329 152 N C 0.282 176.084 175.510 0.487 0.000 1.337 152 N CA -0.442 52.864 53.050 0.426 0.000 0.844 152 N CB 0.066 38.697 38.487 0.240 0.000 1.236 152 N HN 0.485 nan 8.380 nan 0.000 0.601 153 D N -1.201 119.389 120.400 0.317 0.000 2.149 153 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 153 D C 1.188 177.627 176.300 0.232 0.000 0.972 153 D CA 1.550 55.716 54.000 0.277 0.000 0.835 153 D CB -1.383 39.495 40.800 0.131 0.000 0.966 153 D HN 0.559 nan 8.370 nan 0.000 0.476 154 T N 0.451 115.112 114.554 0.178 0.000 2.653 154 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 154 T C 1.469 176.238 174.700 0.114 0.000 1.037 154 T CA 1.750 63.923 62.100 0.122 0.000 1.159 154 T CB -0.681 68.260 68.868 0.121 0.000 0.859 154 T HN 0.231 nan 8.240 nan 0.000 0.449 155 F N 0.788 120.747 119.950 0.014 0.000 2.039 155 F HA -0.027 4.500 4.527 -0.000 0.000 0.294 155 F C 2.100 177.829 175.800 -0.118 0.000 1.130 155 F CA 0.885 58.806 58.000 -0.132 0.000 1.189 155 F CB -0.753 38.111 39.000 -0.226 0.000 0.983 155 F HN 0.152 nan 8.300 nan 0.000 0.471 156 Y N 0.347 120.686 120.300 0.065 0.000 2.315 156 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 156 Y C 2.696 178.591 175.900 -0.009 0.000 1.154 156 Y CA 1.603 59.716 58.100 0.022 0.000 1.229 156 Y CB -0.677 37.849 38.460 0.109 0.000 0.980 156 Y HN 0.064 nan 8.280 nan 0.000 0.540 157 R N 1.361 121.906 120.500 0.074 0.000 2.139 157 R HA -0.263 4.076 4.340 -0.000 0.000 0.243 157 R C 2.087 178.292 176.300 -0.158 0.000 1.145 157 R CA 1.978 58.066 56.100 -0.021 0.000 0.976 157 R CB -0.254 30.032 30.300 -0.022 0.000 0.866 157 R HN 0.636 nan 8.270 nan 0.000 0.449 158 Q N -0.829 118.759 119.800 -0.354 0.000 2.369 158 Q HA -0.051 4.289 4.340 -0.000 0.000 0.206 158 Q C -0.293 175.249 176.000 -0.764 0.000 0.963 158 Q CA 0.559 56.003 55.803 -0.600 0.000 0.894 158 Q CB -0.028 28.223 28.738 -0.812 0.000 0.965 158 Q HN 0.139 nan 8.270 nan 0.000 0.475 159 F N 0.700 120.392 119.950 -0.430 0.000 2.379 159 F HA 0.254 4.781 4.527 0.000 0.000 0.332 159 F C 1.452 177.042 175.800 -0.350 0.000 1.096 159 F CA -0.789 56.956 58.000 -0.425 0.000 1.105 159 F CB 0.842 39.647 39.000 -0.325 0.000 1.189 159 F HN -0.030 nan 8.300 nan 0.000 0.515 160 H N 1.900 121.019 119.070 0.081 0.000 2.415 160 H HA 0.307 4.863 4.556 -0.000 0.000 0.297 160 H C 0.191 175.536 175.328 0.029 0.000 1.048 160 H CA 1.132 57.198 56.048 0.030 0.000 1.365 160 H CB 0.423 30.192 29.762 0.012 0.000 1.421 160 H HN 0.304 nan 8.280 nan 0.000 0.533 161 I N 0.653 121.306 120.570 0.138 0.000 2.722 161 I HA 0.281 4.451 4.170 -0.000 0.000 0.295 161 I C -0.882 175.217 176.117 -0.031 0.000 1.161 161 I CA -0.604 60.717 61.300 0.035 0.000 1.032 161 I CB 3.261 41.258 38.000 -0.006 0.000 1.244 161 I HN -0.185 nan 8.210 nan 0.000 0.421 162 I N 5.644 126.179 120.570 -0.059 0.000 2.410 162 I HA 0.404 4.574 4.170 -0.000 0.000 0.286 162 I C -0.747 175.316 176.117 -0.090 0.000 1.009 162 I CA -0.808 60.426 61.300 -0.111 0.000 1.111 162 I CB 1.816 39.760 38.000 -0.095 0.000 1.262 162 I HN 0.162 nan 8.210 nan 0.000 0.443 163 V N 5.137 124.987 119.914 -0.107 0.000 2.435 163 V HA 0.507 4.627 4.120 -0.000 0.000 0.290 163 V C -0.135 175.921 176.094 -0.064 0.000 1.030 163 V CA -0.707 61.542 62.300 -0.085 0.000 0.881 163 V CB 1.353 33.115 31.823 -0.101 0.000 0.983 163 V HN 0.914 nan 8.190 nan 0.000 0.445 164 C N 1.411 120.686 119.300 -0.042 0.000 2.482 164 C HA 0.906 5.366 4.460 -0.000 0.000 0.317 164 C C 0.541 175.522 174.990 -0.015 0.000 1.197 164 C CA -0.585 58.421 59.018 -0.019 0.000 1.432 164 C CB 0.781 28.521 27.740 0.001 0.000 2.062 164 C HN 1.140 nan 8.230 nan 0.000 0.471 165 G N 3.165 111.960 108.800 -0.009 0.000 3.428 165 G HA2 0.540 4.500 3.960 -0.000 0.000 0.344 165 G HA3 0.540 4.500 3.960 -0.000 0.000 0.344 165 G C -0.527 174.378 174.900 0.008 0.000 1.256 165 G CA -0.238 44.859 45.100 -0.005 0.000 1.209 165 G HN 0.801 nan 8.290 nan 0.000 0.470 166 L N 0.343 121.575 121.223 0.016 0.000 2.448 166 L HA 0.374 4.714 4.340 -0.000 0.000 0.258 166 L C 1.316 178.195 176.870 0.014 0.000 1.104 166 L CA -0.809 54.041 54.840 0.017 0.000 0.800 166 L CB 1.321 43.392 42.059 0.021 0.000 1.241 166 L HN 0.288 nan 8.230 nan 0.000 0.472 167 D N -0.931 119.470 120.400 0.002 0.000 2.149 167 D HA -0.023 4.617 4.640 -0.000 0.000 0.206 167 D C 0.520 176.811 176.300 -0.016 0.000 0.967 167 D CA 0.933 54.928 54.000 -0.007 0.000 0.848 167 D CB 0.469 41.258 40.800 -0.018 0.000 0.998 167 D HN 0.535 nan 8.370 nan 0.000 0.474 168 S N -1.866 113.814 115.700 -0.033 0.000 2.806 168 S HA 0.426 4.896 4.470 -0.000 0.000 0.306 168 S C 1.208 175.735 174.600 -0.122 0.000 1.167 168 S CA -0.702 57.454 58.200 -0.073 0.000 0.847 168 S CB 0.629 63.786 63.200 -0.072 0.000 1.216 168 S HN -0.001 nan 8.310 nan 0.000 0.532 169 I N 0.701 121.136 120.570 -0.225 0.000 2.206 169 I HA 0.039 4.209 4.170 -0.000 0.000 0.239 169 I C 2.519 178.557 176.117 -0.132 0.000 1.078 169 I CA 0.885 61.990 61.300 -0.326 0.000 1.367 169 I CB -0.399 37.287 38.000 -0.524 0.000 1.078 169 I HN 0.716 nan 8.210 nan 0.000 0.413 170 I N 1.356 121.872 120.570 -0.090 0.000 2.181 170 I HA -0.404 3.766 4.170 -0.000 0.000 0.247 170 I C 2.540 178.686 176.117 0.048 0.000 1.081 170 I CA 2.034 63.326 61.300 -0.014 0.000 1.340 170 I CB -0.027 37.965 38.000 -0.014 0.000 1.036 170 I HN 0.238 nan 8.210 nan 0.000 0.417 171 A N 0.462 123.294 122.820 0.019 0.000 1.968 171 A HA -0.124 4.195 4.320 -0.000 0.000 0.217 171 A C 2.327 179.975 177.584 0.106 0.000 1.169 171 A CA 1.156 53.224 52.037 0.052 0.000 0.638 171 A CB -0.517 18.475 19.000 -0.014 0.000 0.812 171 A HN 0.470 nan 8.150 nan 0.000 0.446 172 R N -0.522 120.016 120.500 0.063 0.000 2.096 172 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 172 R C 2.365 178.722 176.300 0.094 0.000 1.127 172 R CA 1.427 57.575 56.100 0.079 0.000 0.968 172 R CB -0.267 30.082 30.300 0.082 0.000 0.861 172 R HN 0.470 nan 8.270 nan 0.000 0.440 173 R N -0.569 119.983 120.500 0.088 0.000 2.081 173 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 173 R C 1.894 178.254 176.300 0.099 0.000 1.131 173 R CA 1.613 57.762 56.100 0.080 0.000 0.960 173 R CB -0.290 30.047 30.300 0.062 0.000 0.856 173 R HN 0.313 nan 8.270 nan 0.000 0.436 174 W N 0.956 122.236 121.300 -0.034 0.000 2.353 174 W HA -0.204 4.456 4.660 -0.000 0.000 0.319 174 W C 1.970 178.440 176.519 -0.081 0.000 1.207 174 W CA 1.253 58.571 57.345 -0.045 0.000 1.291 174 W CB -0.385 29.052 29.460 -0.038 0.000 1.159 174 W HN -0.022 nan 8.180 nan 0.000 0.478 175 I N 1.397 122.152 120.570 0.308 0.000 2.286 175 I HA -0.320 3.850 4.170 -0.000 0.000 0.248 175 I C 2.121 178.198 176.117 -0.065 0.000 1.115 175 I CA 2.141 63.499 61.300 0.098 0.000 1.392 175 I CB -1.024 37.026 38.000 0.082 0.000 1.065 175 I HN 0.103 nan 8.210 nan 0.000 0.418 176 N N 0.396 119.081 118.700 -0.025 0.000 2.036 176 N HA -0.171 4.569 4.740 -0.000 0.000 0.195 176 N C 2.013 177.460 175.510 -0.105 0.000 1.037 176 N CA 2.016 55.039 53.050 -0.045 0.000 0.855 176 N CB -0.752 37.733 38.487 -0.003 0.000 1.033 176 N HN 0.420 nan 8.380 nan 0.000 0.423 177 G N -0.012 108.690 108.800 -0.164 0.000 2.418 177 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 177 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 177 G C 1.483 176.205 174.900 -0.297 0.000 1.158 177 G CA 1.120 46.082 45.100 -0.231 0.000 0.771 177 G HN 0.380 nan 8.290 nan 0.000 0.545 178 M N 0.470 119.813 119.600 -0.428 0.000 2.117 178 M HA 0.114 4.594 4.480 -0.000 0.000 0.262 178 M C 2.223 178.383 176.300 -0.234 0.000 1.065 178 M CA 1.334 56.377 55.300 -0.428 0.000 1.114 178 M CB -0.438 31.808 32.600 -0.590 0.000 1.361 178 M HN 0.150 nan 8.290 nan 0.000 0.408 179 L N -1.005 120.105 121.223 -0.188 0.000 2.217 179 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 179 L C 2.309 179.132 176.870 -0.080 0.000 1.107 179 L CA 0.848 55.623 54.840 -0.108 0.000 0.783 179 L CB -0.616 41.392 42.059 -0.085 0.000 0.919 179 L HN 0.324 nan 8.230 nan 0.000 0.442 180 I N -0.284 120.236 120.570 -0.084 0.000 2.439 180 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 180 I C 2.723 178.814 176.117 -0.045 0.000 1.139 180 I CA 1.308 62.578 61.300 -0.049 0.000 1.438 180 I CB -0.078 37.900 38.000 -0.036 0.000 1.085 180 I HN 0.277 nan 8.210 nan 0.000 0.427 181 S N 0.806 116.461 115.700 -0.076 0.000 2.453 181 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 181 S C 1.911 176.486 174.600 -0.042 0.000 1.005 181 S CA 0.569 58.733 58.200 -0.060 0.000 0.949 181 S CB -0.491 62.651 63.200 -0.096 0.000 0.774 181 S HN 0.423 nan 8.310 nan 0.000 0.510 182 L N 0.725 121.919 121.223 -0.048 0.000 2.217 182 L HA 0.193 4.533 4.340 -0.000 0.000 0.211 182 L C 0.752 177.584 176.870 -0.062 0.000 1.107 182 L CA 0.216 55.035 54.840 -0.037 0.000 0.783 182 L CB -0.601 41.442 42.059 -0.026 0.000 0.919 182 L HN 0.286 nan 8.230 nan 0.000 0.442 183 L N 1.149 122.317 121.223 -0.091 0.000 2.540 183 L HA -0.090 4.250 4.340 -0.000 0.000 0.276 183 L C -0.146 176.608 176.870 -0.193 0.000 1.212 183 L CA 0.497 55.224 54.840 -0.188 0.000 0.893 183 L CB -0.158 41.746 42.059 -0.259 0.000 1.138 183 L HN 0.227 nan 8.230 nan 0.000 0.491 184 N N 2.866 121.425 118.700 -0.236 0.000 2.501 184 N HA 0.302 5.042 4.740 -0.000 0.000 0.245 184 N C -1.402 173.972 175.510 -0.227 0.000 0.974 184 N CA -0.476 52.481 53.050 -0.154 0.000 0.941 184 N CB 0.787 39.225 38.487 -0.081 0.000 1.122 184 N HN 0.351 nan 8.380 nan 0.000 0.507 185 Y N 1.031 121.326 120.300 -0.009 0.000 2.425 185 Y HA 0.295 4.845 4.550 -0.000 0.000 0.347 185 Y C 0.963 176.860 175.900 -0.006 0.000 0.976 185 Y CA -0.632 57.463 58.100 -0.008 0.000 1.190 185 Y CB 0.714 39.168 38.460 -0.010 0.000 1.136 185 Y HN 0.488 nan 8.280 nan 0.000 0.517 186 E N 3.062 123.336 120.200 0.123 0.000 1.893 186 E HA 0.221 4.571 4.350 -0.000 0.000 0.269 186 E C -0.100 176.545 176.600 0.076 0.000 1.129 186 E CA -0.475 55.970 56.400 0.076 0.000 0.904 186 E CB 0.031 29.755 29.700 0.040 0.000 1.077 186 E HN 0.751 nan 8.360 nan 0.000 0.407 187 D N 1.574 122.015 120.400 0.067 0.000 2.828 187 D HA -0.145 4.495 4.640 -0.000 0.000 0.241 187 D C 1.257 177.580 176.300 0.038 0.000 1.142 187 D CA 2.565 56.589 54.000 0.040 0.000 0.755 187 D CB -1.353 39.464 40.800 0.027 0.000 1.014 187 D HN 1.485 nan 8.370 nan 0.000 0.420 188 G N -1.421 107.400 108.800 0.034 0.000 2.383 188 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.229 188 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.229 188 G C 0.426 175.362 174.900 0.060 0.000 1.089 188 G CA 0.351 45.446 45.100 -0.007 0.000 0.640 188 G HN 1.260 nan 8.290 nan 0.000 0.510 189 V N 1.609 121.606 119.914 0.138 0.000 2.612 189 V HA 0.814 4.934 4.120 -0.000 0.000 0.301 189 V C -0.054 176.197 176.094 0.261 0.000 1.046 189 V CA -0.620 61.790 62.300 0.184 0.000 0.946 189 V CB 1.609 33.486 31.823 0.091 0.000 1.003 189 V HN 0.884 nan 8.190 nan 0.000 0.459 190 L N 4.950 126.300 121.223 0.212 0.000 2.264 190 L HA 0.529 4.869 4.340 -0.000 0.000 0.289 190 L C -0.201 176.619 176.870 -0.084 0.000 1.044 190 L CA -0.007 54.806 54.840 -0.046 0.000 0.807 190 L CB 1.146 43.146 42.059 -0.097 0.000 1.192 190 L HN 0.749 nan 8.230 nan 0.000 0.425 191 D N 7.077 127.396 120.400 -0.135 0.000 2.342 191 D HA 0.160 4.800 4.640 -0.000 0.000 0.260 191 D C -1.821 174.421 176.300 -0.097 0.000 1.278 191 D CA -1.856 52.091 54.000 -0.088 0.000 0.910 191 D CB 1.411 42.164 40.800 -0.079 0.000 1.079 191 D HN 0.404 nan 8.370 nan 0.000 0.496 192 P HA -0.161 nan 4.420 nan 0.000 0.216 192 P C 1.354 178.630 177.300 -0.040 0.000 1.150 192 P CA 1.121 64.194 63.100 -0.045 0.000 0.837 192 P CB -0.002 31.688 31.700 -0.018 0.000 0.786 193 S N -0.428 115.253 115.700 -0.032 0.000 2.493 193 S HA -0.127 4.343 4.470 -0.000 0.000 0.243 193 S C 1.768 176.350 174.600 -0.029 0.000 0.991 193 S CA 1.406 59.594 58.200 -0.020 0.000 0.957 193 S CB -1.502 61.690 63.200 -0.014 0.000 0.756 193 S HN 0.277 nan 8.310 nan 0.000 0.521 194 S N -0.046 115.619 115.700 -0.057 0.000 2.605 194 S HA 0.376 4.846 4.470 -0.000 0.000 0.217 194 S C 0.270 174.828 174.600 -0.071 0.000 0.958 194 S CA -0.724 57.435 58.200 -0.069 0.000 0.919 194 S CB -0.665 62.475 63.200 -0.101 0.000 0.780 194 S HN 0.516 nan 8.310 nan 0.000 0.507 195 I N 2.163 122.698 120.570 -0.057 0.000 2.395 195 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 195 I C -0.730 175.377 176.117 -0.017 0.000 1.023 195 I CA -0.593 60.680 61.300 -0.045 0.000 1.350 195 I CB 1.698 39.675 38.000 -0.039 0.000 1.409 195 I HN -0.001 nan 8.210 nan 0.000 0.507 196 V N 8.445 128.351 119.914 -0.014 0.000 2.284 196 V HA 0.272 4.392 4.120 -0.000 0.000 0.274 196 V C -2.212 173.882 176.094 -0.001 0.000 1.023 196 V CA -1.886 60.417 62.300 0.006 0.000 0.808 196 V CB 0.826 32.657 31.823 0.013 0.000 1.035 196 V HN 0.580 nan 8.190 nan 0.000 0.445 197 P HA 0.036 nan 4.420 nan 0.000 0.263 197 P C -0.672 176.619 177.300 -0.016 0.000 1.175 197 P CA 0.122 63.218 63.100 -0.005 0.000 0.761 197 P CB 0.501 32.201 31.700 -0.000 0.000 0.794 198 L N 5.340 126.550 121.223 -0.023 0.000 2.325 198 L HA 0.511 4.851 4.340 -0.000 0.000 0.281 198 L C -1.072 175.776 176.870 -0.037 0.000 1.004 198 L CA -0.405 54.417 54.840 -0.031 0.000 0.823 198 L CB 1.054 43.097 42.059 -0.027 0.000 1.236 198 L HN 0.136 nan 8.230 nan 0.000 0.415 199 I N 4.307 124.848 120.570 -0.048 0.000 2.362 199 I HA 0.387 4.557 4.170 -0.000 0.000 0.289 199 I C -0.711 175.372 176.117 -0.057 0.000 0.994 199 I CA -0.146 61.118 61.300 -0.059 0.000 1.158 199 I CB 1.659 39.618 38.000 -0.068 0.000 1.315 199 I HN 0.572 nan 8.210 nan 0.000 0.451 200 D N 4.594 124.957 120.400 -0.063 0.000 2.408 200 D HA 0.646 5.286 4.640 -0.000 0.000 0.243 200 D C -0.155 176.100 176.300 -0.075 0.000 1.075 200 D CA -0.313 53.659 54.000 -0.046 0.000 0.832 200 D CB 1.296 42.088 40.800 -0.013 0.000 1.162 200 D HN 0.644 nan 8.370 nan 0.000 0.515 201 G N 1.627 110.394 108.800 -0.055 0.000 2.417 201 G HA2 0.676 4.636 3.960 -0.000 0.000 0.334 201 G HA3 0.676 4.636 3.960 -0.000 0.000 0.334 201 G C -0.326 174.566 174.900 -0.014 0.000 1.150 201 G CA -0.652 44.412 45.100 -0.059 0.000 0.923 201 G HN 0.572 nan 8.290 nan 0.000 0.485 202 G N -1.383 107.415 108.800 -0.004 0.000 2.690 202 G HA2 0.643 4.603 3.960 -0.000 0.000 0.293 202 G HA3 0.643 4.603 3.960 -0.000 0.000 0.293 202 G C -1.372 173.556 174.900 0.048 0.000 1.399 202 G CA -0.358 44.771 45.100 0.048 0.000 0.890 202 G HN 0.781 nan 8.290 nan 0.000 0.485 203 T N -0.483 114.108 114.554 0.062 0.000 2.932 203 T HA 0.640 4.990 4.350 -0.000 0.000 0.318 203 T C -1.818 172.914 174.700 0.053 0.000 1.265 203 T CA -0.447 61.689 62.100 0.060 0.000 1.036 203 T CB 1.960 70.850 68.868 0.036 0.000 1.209 203 T HN 0.562 nan 8.240 nan 0.000 0.484 204 E N 2.112 122.342 120.200 0.051 0.000 2.499 204 E HA 0.460 4.810 4.350 -0.000 0.000 0.327 204 E C 0.392 176.987 176.600 -0.008 0.000 0.929 204 E CA 0.300 56.716 56.400 0.025 0.000 0.788 204 E CB 0.670 30.405 29.700 0.059 0.000 1.452 204 E HN 1.127 nan 8.360 nan 0.000 0.387 205 G N 3.034 111.771 108.800 -0.105 0.000 2.565 205 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.295 205 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.295 205 G C 0.241 174.918 174.900 -0.372 0.000 1.165 205 G CA 0.623 45.555 45.100 -0.281 0.000 0.977 205 G HN 0.505 nan 8.290 nan 0.000 0.546 206 F N 2.530 122.523 119.950 0.073 0.000 2.639 206 F HA 0.426 4.953 4.527 -0.000 0.000 0.302 206 F C 1.249 177.099 175.800 0.084 0.000 1.097 206 F CA 0.157 58.209 58.000 0.088 0.000 1.294 206 F CB 0.594 39.617 39.000 0.039 0.000 1.027 206 F HN 0.017 nan 8.300 nan 0.000 0.550 207 K N 0.481 121.004 120.400 0.204 0.000 2.164 207 K HA 0.745 5.065 4.320 -0.000 0.000 0.258 207 K C 0.027 176.756 176.600 0.216 0.000 0.951 207 K CA -0.645 55.753 56.287 0.186 0.000 0.844 207 K CB 1.999 34.581 32.500 0.137 0.000 1.099 207 K HN 0.158 nan 8.250 nan 0.000 0.435 208 G N 1.057 110.020 108.800 0.271 0.000 2.677 208 G HA2 0.436 4.396 3.960 -0.000 0.000 0.291 208 G HA3 0.436 4.396 3.960 -0.000 0.000 0.291 208 G C -1.752 173.245 174.900 0.161 0.000 1.435 208 G CA -0.868 44.356 45.100 0.206 0.000 0.826 208 G HN 0.784 nan 8.290 nan 0.000 0.491 209 N N -1.446 117.281 118.700 0.045 0.000 2.416 209 N HA 0.795 5.535 4.740 -0.000 0.000 0.276 209 N C -0.801 174.588 175.510 -0.202 0.000 1.261 209 N CA -0.646 52.351 53.050 -0.089 0.000 0.790 209 N CB 2.474 40.883 38.487 -0.131 0.000 1.554 209 N HN 0.941 nan 8.380 nan 0.000 0.481 210 A N 0.960 123.572 122.820 -0.347 0.000 2.486 210 A HA 0.786 5.106 4.320 -0.000 0.000 0.300 210 A C -0.990 176.330 177.584 -0.440 0.000 1.048 210 A CA -0.720 51.132 52.037 -0.308 0.000 0.696 210 A CB 1.454 20.333 19.000 -0.203 0.000 1.278 210 A HN 0.700 nan 8.150 nan 0.000 0.405 211 R N 0.742 121.054 120.500 -0.313 0.000 2.621 211 R HA 0.612 4.952 4.340 -0.000 0.000 0.292 211 R C -1.600 174.614 176.300 -0.144 0.000 0.969 211 R CA -0.697 55.246 56.100 -0.262 0.000 0.887 211 R CB 2.492 32.675 30.300 -0.194 0.000 1.180 211 R HN 0.458 nan 8.270 nan 0.000 0.450 212 V N 5.442 125.287 119.914 -0.114 0.000 2.328 212 V HA 0.400 4.520 4.120 -0.000 0.000 0.278 212 V C -0.072 175.996 176.094 -0.042 0.000 1.021 212 V CA -0.474 61.786 62.300 -0.067 0.000 0.838 212 V CB 1.194 32.985 31.823 -0.054 0.000 0.999 212 V HN 0.581 nan 8.190 nan 0.000 0.447 213 I N 5.972 126.524 120.570 -0.029 0.000 2.377 213 I HA 0.448 4.618 4.170 -0.000 0.000 0.293 213 I C -0.462 175.649 176.117 -0.009 0.000 0.987 213 I CA -0.466 60.826 61.300 -0.012 0.000 1.185 213 I CB 1.721 39.718 38.000 -0.005 0.000 1.341 213 I HN 0.353 nan 8.210 nan 0.000 0.455 214 L N 8.042 129.264 121.223 -0.001 0.000 2.337 214 L HA 0.410 4.750 4.340 -0.000 0.000 0.269 214 L C -2.411 174.461 176.870 0.002 0.000 1.018 214 L CA -1.872 52.968 54.840 0.000 0.000 0.876 214 L CB 0.951 43.014 42.059 0.007 0.000 1.236 214 L HN 0.234 nan 8.230 nan 0.000 0.436 215 P HA 0.011 nan 4.420 nan 0.000 0.262 215 P C 0.956 178.260 177.300 0.007 0.000 1.182 215 P CA 0.747 63.845 63.100 -0.003 0.000 0.761 215 P CB 0.749 32.435 31.700 -0.022 0.000 0.795 216 G N 2.662 111.488 108.800 0.043 0.000 2.148 216 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 216 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 216 G C 0.585 175.532 174.900 0.079 0.000 0.981 216 G CA 0.367 45.524 45.100 0.096 0.000 0.670 216 G HN 0.463 nan 8.290 nan 0.000 0.528 217 M N -1.028 118.601 119.600 0.047 0.000 2.069 217 M HA 0.163 4.643 4.480 -0.000 0.000 0.208 217 M C 1.182 177.503 176.300 0.035 0.000 1.459 217 M CA 1.674 56.999 55.300 0.041 0.000 0.992 217 M CB 0.108 32.725 32.600 0.029 0.000 1.566 217 M HN 0.501 nan 8.290 nan 0.000 0.571 218 T N -0.651 113.919 114.554 0.028 0.000 2.910 218 T HA 0.798 5.148 4.350 -0.000 0.000 0.287 218 T C -0.041 174.674 174.700 0.025 0.000 1.050 218 T CA -0.789 61.325 62.100 0.024 0.000 1.011 218 T CB 2.088 70.964 68.868 0.014 0.000 1.195 218 T HN 0.250 nan 8.240 nan 0.000 0.540 219 A N 0.533 123.368 122.820 0.026 0.000 2.546 219 A HA 0.455 4.775 4.320 -0.000 0.000 0.243 219 A C 1.080 178.686 177.584 0.035 0.000 1.063 219 A CA -0.411 51.647 52.037 0.034 0.000 0.757 219 A CB -1.418 17.606 19.000 0.040 0.000 0.991 219 A HN 1.376 nan 8.150 nan 0.000 0.503 220 C N 2.705 122.028 119.300 0.038 0.000 2.352 220 C HA 0.607 5.067 4.460 -0.000 0.000 0.387 220 C C 1.883 176.910 174.990 0.061 0.000 1.294 220 C CA -0.754 58.287 59.018 0.038 0.000 2.137 220 C CB -0.084 27.672 27.740 0.026 0.000 2.146 220 C HN 0.774 nan 8.230 nan 0.000 0.559 221 I N 1.276 121.887 120.570 0.068 0.000 2.145 221 I HA -0.171 3.999 4.170 -0.000 0.000 0.244 221 I C 2.643 178.833 176.117 0.123 0.000 1.075 221 I CA 1.974 63.341 61.300 0.112 0.000 1.332 221 I CB -1.180 36.886 38.000 0.110 0.000 1.033 221 I HN 0.764 nan 8.210 nan 0.000 0.410 222 E N 0.112 120.363 120.200 0.084 0.000 2.152 222 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 222 E C 2.400 179.042 176.600 0.069 0.000 0.983 222 E CA 0.991 57.436 56.400 0.076 0.000 0.818 222 E CB -0.212 29.514 29.700 0.044 0.000 0.758 222 E HN 0.523 nan 8.360 nan 0.000 0.467 223 C N 0.795 120.129 119.300 0.058 0.000 2.401 223 C HA -0.126 4.334 4.460 -0.000 0.000 0.276 223 C C 2.473 177.498 174.990 0.060 0.000 1.233 223 C CA 1.755 60.804 59.018 0.051 0.000 1.753 223 C CB -1.092 26.676 27.740 0.047 0.000 2.029 223 C HN 0.476 nan 8.230 nan 0.000 0.478 224 T N -1.833 112.766 114.554 0.075 0.000 3.258 224 T HA 0.232 4.582 4.350 -0.000 0.000 0.263 224 T C 0.978 175.732 174.700 0.090 0.000 0.983 224 T CA -0.121 62.018 62.100 0.065 0.000 0.907 224 T CB -0.182 68.721 68.868 0.058 0.000 1.096 224 T HN 0.223 nan 8.240 nan 0.000 0.556 225 L N 1.659 122.958 121.223 0.127 0.000 2.083 225 L HA 0.148 4.488 4.340 -0.000 0.000 0.209 225 L C 2.094 179.094 176.870 0.216 0.000 1.083 225 L CA 1.767 56.733 54.840 0.211 0.000 0.752 225 L CB -0.516 41.634 42.059 0.152 0.000 0.899 225 L HN 0.314 nan 8.230 nan 0.000 0.433 226 E N -0.960 119.311 120.200 0.118 0.000 2.516 226 E HA -0.095 4.255 4.350 -0.000 0.000 0.199 226 E C 2.054 178.696 176.600 0.070 0.000 1.069 226 E CA 0.080 56.536 56.400 0.094 0.000 0.876 226 E CB -0.069 29.664 29.700 0.055 0.000 0.843 226 E HN 0.527 nan 8.360 nan 0.000 0.530 227 L N -0.079 121.163 121.223 0.031 0.000 2.240 227 L HA -0.035 4.305 4.340 -0.000 0.000 0.211 227 L C 0.401 177.230 176.870 -0.069 0.000 1.106 227 L CA 0.172 54.978 54.840 -0.057 0.000 0.793 227 L CB -0.086 41.892 42.059 -0.135 0.000 0.927 227 L HN 0.164 nan 8.230 nan 0.000 0.446 228 Y N 1.682 122.026 120.300 0.073 0.000 2.597 228 Y HA 0.012 4.562 4.550 -0.000 0.000 0.336 228 Y C -1.295 174.632 175.900 0.044 0.000 1.216 228 Y CA -1.934 56.205 58.100 0.065 0.000 1.463 228 Y CB -0.453 38.039 38.460 0.054 0.000 1.303 228 Y HN 0.047 nan 8.280 nan 0.000 0.576 229 P HA 0.057 nan 4.420 nan 0.000 0.273 229 P C -2.527 174.827 177.300 0.091 0.000 1.250 229 P CA -1.201 61.965 63.100 0.110 0.000 0.793 229 P CB -0.194 31.562 31.700 0.093 0.000 1.011 230 P HA 0.122 nan 4.420 nan 0.000 0.271 230 P C 0.012 177.313 177.300 0.002 0.000 1.220 230 P CA 0.263 63.377 63.100 0.025 0.000 0.768 230 P CB -0.162 31.544 31.700 0.010 0.000 0.848 231 Q N 3.241 123.033 119.800 -0.014 0.000 3.223 231 Q HA 0.214 4.554 4.340 -0.000 0.000 0.299 231 Q C 0.516 176.459 176.000 -0.095 0.000 1.385 231 Q CA -0.367 55.409 55.803 -0.044 0.000 0.942 231 Q CB -1.130 27.580 28.738 -0.047 0.000 1.748 231 Q HN 0.531 nan 8.270 nan 0.000 0.523 232 V N 3.061 122.909 119.914 -0.110 0.000 2.795 232 V HA -0.013 4.107 4.120 -0.000 0.000 0.298 232 V C -0.262 175.608 176.094 -0.373 0.000 1.107 232 V CA 1.162 63.344 62.300 -0.196 0.000 1.270 232 V CB -0.291 31.432 31.823 -0.167 0.000 0.831 232 V HN 1.031 nan 8.190 nan 0.000 0.473 233 N N 6.442 124.922 118.700 -0.366 0.000 2.229 233 N HA 0.456 5.196 4.740 -0.000 0.000 0.298 233 N C -1.138 174.160 175.510 -0.355 0.000 1.114 233 N CA -0.809 51.966 53.050 -0.459 0.000 0.776 233 N CB 1.411 39.779 38.487 -0.199 0.000 1.501 233 N HN 0.337 nan 8.380 nan 0.000 0.474 234 F N -0.023 119.962 119.950 0.058 0.000 2.379 234 F HA 0.452 4.979 4.527 0.000 0.000 0.332 234 F C -1.572 174.235 175.800 0.010 0.000 1.096 234 F CA -1.899 56.134 58.000 0.055 0.000 1.105 234 F CB 0.418 39.481 39.000 0.104 0.000 1.189 234 F HN 0.217 nan 8.300 nan 0.000 0.515 235 P HA -0.001 nan 4.420 nan 0.000 0.266 235 P C 0.782 178.120 177.300 0.063 0.000 1.215 235 P CA -0.124 63.023 63.100 0.079 0.000 0.763 235 P CB 0.522 32.247 31.700 0.042 0.000 0.806 236 M N 2.486 122.118 119.600 0.054 0.000 2.260 236 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 236 M C 1.154 177.465 176.300 0.018 0.000 1.066 236 M CA 1.648 56.972 55.300 0.041 0.000 1.082 236 M CB -0.926 31.693 32.600 0.031 0.000 1.388 236 M HN 0.354 nan 8.290 nan 0.000 0.419 237 C N -0.487 118.818 119.300 0.009 0.000 2.440 237 C HA -0.102 4.358 4.460 -0.000 0.000 0.278 237 C C 2.586 177.556 174.990 -0.034 0.000 1.295 237 C CA 1.413 60.429 59.018 -0.003 0.000 1.738 237 C CB -1.245 26.494 27.740 -0.001 0.000 1.987 237 C HN 0.565 nan 8.230 nan 0.000 0.492 238 T N 1.558 116.067 114.554 -0.076 0.000 2.737 238 T HA -0.068 4.282 4.350 -0.000 0.000 0.265 238 T C 1.716 176.293 174.700 -0.205 0.000 1.038 238 T CA 1.115 63.101 62.100 -0.190 0.000 1.144 238 T CB -0.173 68.503 68.868 -0.321 0.000 0.866 238 T HN 0.259 nan 8.240 nan 0.000 0.434 239 I N 2.114 122.614 120.570 -0.117 0.000 2.163 239 I HA -0.127 4.043 4.170 -0.000 0.000 0.243 239 I C 2.954 179.133 176.117 0.103 0.000 1.085 239 I CA 1.081 62.379 61.300 -0.003 0.000 1.347 239 I CB -1.797 36.236 38.000 0.054 0.000 1.044 239 I HN 0.186 nan 8.210 nan 0.000 0.408 240 A N 0.476 123.330 122.820 0.057 0.000 1.908 240 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 240 A C 1.435 179.120 177.584 0.167 0.000 1.181 240 A CA 2.379 54.473 52.037 0.095 0.000 0.627 240 A CB -0.451 18.576 19.000 0.045 0.000 0.818 240 A HN 0.596 nan 8.150 nan 0.000 0.445 241 S N -4.058 111.676 115.700 0.057 0.000 2.600 241 S HA 0.398 4.868 4.470 -0.000 0.000 0.167 241 S C -0.341 174.211 174.600 -0.080 0.000 0.832 241 S CA -0.114 58.092 58.200 0.010 0.000 0.927 241 S CB -0.940 62.322 63.200 0.102 0.000 1.678 241 S HN 0.318 nan 8.310 nan 0.000 0.554 242 M N 1.905 121.403 119.600 -0.171 0.000 4.045 242 M HA 0.251 4.731 4.480 -0.000 0.000 0.498 242 M C -2.958 173.184 176.300 -0.263 0.000 1.896 242 M CA -1.003 54.185 55.300 -0.187 0.000 0.626 242 M CB 1.620 34.157 32.600 -0.104 0.000 1.458 242 M HN 0.150 nan 8.290 nan 0.000 0.556 243 P HA 0.117 nan 4.420 nan 0.000 0.268 243 P C -0.471 176.766 177.300 -0.105 0.000 1.205 243 P CA 0.298 63.247 63.100 -0.252 0.000 0.771 243 P CB 0.852 32.351 31.700 -0.335 0.000 0.858 244 R N 1.387 121.953 120.500 0.111 0.000 2.513 244 R HA 0.365 4.705 4.340 -0.000 0.000 0.245 244 R C 0.384 176.714 176.300 0.050 0.000 0.908 244 R CA -0.118 56.027 56.100 0.075 0.000 1.023 244 R CB 0.448 30.796 30.300 0.080 0.000 1.338 244 R HN 0.358 nan 8.270 nan 0.000 0.575 245 L N 1.876 123.110 121.223 0.020 0.000 2.370 245 L HA 0.414 4.754 4.340 -0.000 0.000 0.266 245 L C -1.738 174.988 176.870 -0.240 0.000 1.002 245 L CA -2.450 52.260 54.840 -0.218 0.000 0.818 245 L CB 2.617 44.387 42.059 -0.482 0.000 1.325 245 L HN -0.238 nan 8.230 nan 0.000 0.418 246 P HA -0.154 nan 4.420 nan 0.000 0.218 246 P C 0.778 177.998 177.300 -0.134 0.000 1.148 246 P CA 1.237 64.277 63.100 -0.100 0.000 0.822 246 P CB 0.461 32.135 31.700 -0.043 0.000 0.784 247 E N -0.547 119.516 120.200 -0.229 0.000 2.118 247 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 247 E C 2.053 178.475 176.600 -0.297 0.000 0.992 247 E CA 1.290 57.556 56.400 -0.222 0.000 0.804 247 E CB -1.066 28.513 29.700 -0.202 0.000 0.741 247 E HN 0.558 nan 8.360 nan 0.000 0.458 248 H N -1.171 117.649 119.070 -0.416 0.000 2.387 248 H HA -0.101 4.455 4.556 0.000 0.000 0.299 248 H C 1.958 177.187 175.328 -0.165 0.000 1.090 248 H CA 0.989 56.776 56.048 -0.436 0.000 1.332 248 H CB -0.102 29.412 29.762 -0.413 0.000 1.386 248 H HN 0.232 nan 8.280 nan 0.000 0.516 249 C N 0.409 119.702 119.300 -0.012 0.000 2.446 249 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 249 C C 2.672 177.714 174.990 0.087 0.000 1.275 249 C CA 0.602 59.624 59.018 0.007 0.000 1.727 249 C CB -0.771 26.948 27.740 -0.036 0.000 2.010 249 C HN 0.498 nan 8.230 nan 0.000 0.486 250 I N 0.902 121.510 120.570 0.063 0.000 2.353 250 I HA -0.128 4.042 4.170 -0.000 0.000 0.248 250 I C 2.598 178.799 176.117 0.139 0.000 1.119 250 I CA 1.365 62.724 61.300 0.100 0.000 1.417 250 I CB -0.515 37.530 38.000 0.074 0.000 1.078 250 I HN 0.242 nan 8.210 nan 0.000 0.421 251 E N 0.857 121.135 120.200 0.131 0.000 2.072 251 E HA -0.267 4.083 4.350 -0.000 0.000 0.191 251 E C 2.101 178.806 176.600 0.175 0.000 0.985 251 E CA 1.363 57.862 56.400 0.165 0.000 0.801 251 E CB -0.429 29.395 29.700 0.207 0.000 0.750 251 E HN 0.501 nan 8.360 nan 0.000 0.452 252 Y N 0.104 120.439 120.300 0.058 0.000 2.069 252 Y HA -0.303 4.247 4.550 -0.000 0.000 0.278 252 Y C 1.983 177.955 175.900 0.119 0.000 1.175 252 Y CA 2.198 60.337 58.100 0.064 0.000 1.134 252 Y CB -0.288 38.186 38.460 0.024 0.000 0.965 252 Y HN -0.025 nan 8.280 nan 0.000 0.498 253 V N 1.068 121.237 119.914 0.426 0.000 2.407 253 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 253 V C 2.488 178.794 176.094 0.352 0.000 1.055 253 V CA 2.105 64.648 62.300 0.404 0.000 1.049 253 V CB -0.856 31.156 31.823 0.315 0.000 0.662 253 V HN 0.365 nan 8.190 nan 0.000 0.455 254 R N 0.660 121.299 120.500 0.231 0.000 2.082 254 R HA -0.173 4.167 4.340 -0.000 0.000 0.228 254 R C 2.370 178.749 176.300 0.131 0.000 1.140 254 R CA 2.485 58.676 56.100 0.152 0.000 0.920 254 R CB -0.269 30.084 30.300 0.088 0.000 0.828 254 R HN 0.629 nan 8.270 nan 0.000 0.430 255 M N -0.858 118.792 119.600 0.084 0.000 2.514 255 M HA 0.114 4.594 4.480 -0.000 0.000 0.258 255 M C 1.592 177.909 176.300 0.028 0.000 1.119 255 M CA 1.085 56.418 55.300 0.055 0.000 1.111 255 M CB 0.234 32.856 32.600 0.037 0.000 1.390 255 M HN 0.100 nan 8.290 nan 0.000 0.475 256 L N -0.322 120.871 121.223 -0.051 0.000 2.453 256 L HA 0.153 4.493 4.340 -0.000 0.000 0.190 256 L C 2.661 179.487 176.870 -0.074 0.000 1.093 256 L CA 0.525 55.261 54.840 -0.173 0.000 0.834 256 L CB -0.560 41.188 42.059 -0.519 0.000 1.090 256 L HN 0.281 nan 8.230 nan 0.000 0.489 257 Q N -0.339 119.445 119.800 -0.026 0.000 2.297 257 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 257 Q C 2.003 178.228 176.000 0.375 0.000 0.962 257 Q CA 1.036 56.976 55.803 0.229 0.000 0.879 257 Q CB 0.106 29.112 28.738 0.447 0.000 0.947 257 Q HN 0.540 nan 8.270 nan 0.000 0.462 258 W N 1.542 122.970 121.300 0.214 0.000 2.407 258 W HA -0.048 4.612 4.660 -0.000 0.000 0.305 258 W C -1.246 175.289 176.519 0.027 0.000 1.196 258 W CA 1.045 58.462 57.345 0.120 0.000 1.311 258 W CB -1.066 28.461 29.460 0.111 0.000 1.135 258 W HN 0.106 nan 8.180 nan 0.000 0.514 259 P HA -0.121 nan 4.420 nan 0.000 0.217 259 P C 1.853 179.167 177.300 0.023 0.000 1.150 259 P CA 3.550 66.728 63.100 0.130 0.000 0.832 259 P CB -0.415 31.361 31.700 0.127 0.000 0.787 260 K N 0.692 121.115 120.400 0.038 0.000 2.032 260 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 260 K C 1.892 178.486 176.600 -0.009 0.000 1.048 260 K CA 1.859 58.161 56.287 0.025 0.000 0.927 260 K CB -1.597 30.936 32.500 0.056 0.000 0.712 260 K HN 0.351 nan 8.250 nan 0.000 0.441 261 E N -0.177 120.002 120.200 -0.035 0.000 2.452 261 E HA 0.003 4.353 4.350 -0.000 0.000 0.197 261 E C -0.413 176.030 176.600 -0.262 0.000 1.022 261 E CA -0.248 56.102 56.400 -0.084 0.000 0.890 261 E CB 0.570 30.294 29.700 0.041 0.000 0.918 261 E HN 0.377 nan 8.360 nan 0.000 0.496 262 Q N 0.743 120.305 119.800 -0.396 0.000 2.413 262 Q HA -0.174 4.166 4.340 -0.000 0.000 0.364 262 Q C -1.749 173.889 176.000 -0.603 0.000 1.359 262 Q CA 0.614 56.102 55.803 -0.524 0.000 1.097 262 Q CB -0.845 27.739 28.738 -0.256 0.000 1.286 262 Q HN 0.427 nan 8.270 nan 0.000 0.358 263 P HA -0.078 nan 4.420 nan 0.000 0.225 263 P C 0.513 177.405 177.300 -0.680 0.000 1.156 263 P CA 0.841 63.449 63.100 -0.820 0.000 0.787 263 P CB 0.085 30.967 31.700 -1.363 0.000 0.802 264 F N 0.637 120.139 119.950 -0.747 0.000 2.837 264 F HA 0.522 5.049 4.527 -0.000 0.000 0.298 264 F C 1.121 176.794 175.800 -0.210 0.000 1.161 264 F CA 0.206 57.965 58.000 -0.403 0.000 1.353 264 F CB -0.078 38.705 39.000 -0.362 0.000 0.951 264 F HN -0.027 nan 8.300 nan 0.000 0.508 265 G N 1.001 109.715 108.800 -0.145 0.000 2.907 265 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 265 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 265 G C -0.647 174.212 174.900 -0.068 0.000 1.115 265 G CA -1.103 43.950 45.100 -0.080 0.000 0.760 265 G HN 0.251 nan 8.290 nan 0.000 0.620 266 E N 0.510 120.670 120.200 -0.068 0.000 2.376 266 E HA 0.455 4.805 4.350 -0.000 0.000 0.266 266 E C 1.438 178.037 176.600 -0.001 0.000 1.009 266 E CA 1.077 57.447 56.400 -0.049 0.000 0.902 266 E CB 0.202 29.873 29.700 -0.048 0.000 0.972 266 E HN 2.287 nan 8.360 nan 0.000 0.439 267 G N 2.788 111.602 108.800 0.025 0.000 2.132 267 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.234 267 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.234 267 G C -0.175 174.775 174.900 0.083 0.000 0.989 267 G CA 0.071 45.201 45.100 0.050 0.000 0.676 267 G HN 0.469 nan 8.290 nan 0.000 0.522 268 V N 2.936 122.926 119.914 0.127 0.000 2.347 268 V HA 0.503 4.623 4.120 -0.000 0.000 0.280 268 V C -1.158 175.126 176.094 0.316 0.000 1.021 268 V CA -1.437 60.981 62.300 0.197 0.000 0.847 268 V CB 1.597 33.559 31.823 0.232 0.000 0.990 268 V HN 0.273 nan 8.190 nan 0.000 0.444 269 P HA 0.156 nan 4.420 nan 0.000 0.274 269 P C -0.450 176.893 177.300 0.073 0.000 1.231 269 P CA -0.596 62.596 63.100 0.154 0.000 0.790 269 P CB 1.012 32.726 31.700 0.024 0.000 0.951 270 L N 2.255 123.316 121.223 -0.270 0.000 2.562 270 L HA 0.124 4.464 4.340 -0.000 0.000 0.271 270 L C -0.174 176.410 176.870 -0.476 0.000 1.167 270 L CA 0.396 54.797 54.840 -0.731 0.000 0.917 270 L CB -1.243 40.090 42.059 -1.210 0.000 1.187 270 L HN 0.256 nan 8.230 nan 0.000 0.482 271 D N 3.340 123.371 120.400 -0.615 0.000 2.359 271 D HA 0.357 4.997 4.640 -0.000 0.000 0.230 271 D C 1.164 177.204 176.300 -0.432 0.000 1.118 271 D CA 0.230 53.919 54.000 -0.519 0.000 0.844 271 D CB 1.594 42.036 40.800 -0.597 0.000 1.059 271 D HN 0.689 nan 8.370 nan 0.000 0.493 272 G N 3.134 111.766 108.800 -0.280 0.000 2.509 272 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 272 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 272 G C 1.048 175.858 174.900 -0.150 0.000 1.124 272 G CA 0.192 45.172 45.100 -0.199 0.000 0.776 272 G HN 0.470 nan 8.290 nan 0.000 0.547 273 D N 0.267 120.575 120.400 -0.154 0.000 2.183 273 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 273 D C 0.772 177.026 176.300 -0.076 0.000 0.962 273 D CA 0.220 54.161 54.000 -0.099 0.000 0.849 273 D CB -0.053 40.693 40.800 -0.090 0.000 0.978 273 D HN 0.181 nan 8.370 nan 0.000 0.488 274 D N 1.350 121.670 120.400 -0.133 0.000 2.401 274 D HA -0.019 4.621 4.640 -0.000 0.000 0.254 274 D C -1.509 174.826 176.300 0.058 0.000 1.192 274 D CA -1.356 52.610 54.000 -0.057 0.000 0.885 274 D CB 1.894 42.603 40.800 -0.152 0.000 1.147 274 D HN 0.002 nan 8.370 nan 0.000 0.478 275 P HA -0.094 nan 4.420 nan 0.000 0.226 275 P C 0.656 178.099 177.300 0.238 0.000 1.153 275 P CA 0.923 64.135 63.100 0.186 0.000 0.777 275 P CB 0.496 32.289 31.700 0.155 0.000 0.794 276 E N -0.826 119.511 120.200 0.228 0.000 2.051 276 E HA -0.152 4.198 4.350 -0.000 0.000 0.189 276 E C 2.058 178.766 176.600 0.180 0.000 0.979 276 E CA 0.756 57.316 56.400 0.266 0.000 0.803 276 E CB -0.609 29.281 29.700 0.317 0.000 0.761 276 E HN 0.365 nan 8.360 nan 0.000 0.451 277 H N 0.875 119.843 119.070 -0.169 0.000 2.290 277 H HA -0.132 4.424 4.556 0.000 0.000 0.298 277 H C 2.065 177.459 175.328 0.110 0.000 1.087 277 H CA 1.458 57.386 56.048 -0.200 0.000 1.291 277 H CB -0.134 29.431 29.762 -0.328 0.000 1.369 277 H HN 0.099 nan 8.280 nan 0.000 0.492 278 I N 0.436 121.119 120.570 0.188 0.000 2.208 278 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 278 I C 2.378 178.624 176.117 0.216 0.000 1.097 278 I CA 1.302 62.659 61.300 0.095 0.000 1.363 278 I CB -1.039 36.917 38.000 -0.072 0.000 1.051 278 I HN 0.300 nan 8.210 nan 0.000 0.413 279 Q N 0.355 120.375 119.800 0.367 0.000 2.077 279 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 279 Q C 2.160 178.434 176.000 0.456 0.000 0.989 279 Q CA 2.254 58.346 55.803 0.482 0.000 0.853 279 Q CB -0.629 28.371 28.738 0.437 0.000 0.907 279 Q HN 0.519 nan 8.270 nan 0.000 0.418 280 W N 0.070 121.557 121.300 0.312 0.000 2.333 280 W HA -0.208 4.451 4.660 -0.000 0.000 0.316 280 W C 1.702 178.389 176.519 0.280 0.000 1.215 280 W CA 1.985 59.523 57.345 0.322 0.000 1.278 280 W CB -0.412 29.326 29.460 0.463 0.000 1.154 280 W HN 0.243 nan 8.180 nan 0.000 0.486 281 I N -0.200 120.676 120.570 0.510 0.000 2.163 281 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 281 I C 2.358 178.527 176.117 0.086 0.000 1.085 281 I CA 1.725 63.184 61.300 0.265 0.000 1.347 281 I CB -1.098 37.098 38.000 0.326 0.000 1.044 281 I HN 0.033 nan 8.210 nan 0.000 0.408 282 F N 1.788 121.745 119.950 0.012 0.000 2.065 282 F HA -0.351 4.176 4.527 0.000 0.000 0.298 282 F C 2.733 178.513 175.800 -0.034 0.000 1.112 282 F CA 2.573 60.570 58.000 -0.005 0.000 1.212 282 F CB -1.217 37.819 39.000 0.060 0.000 0.975 282 F HN 0.179 nan 8.300 nan 0.000 0.476 283 Q N 0.911 120.528 119.800 -0.305 0.000 2.061 283 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 283 Q C 2.143 177.911 176.000 -0.388 0.000 0.984 283 Q CA 1.971 57.523 55.803 -0.419 0.000 0.846 283 Q CB -1.130 27.465 28.738 -0.238 0.000 0.902 283 Q HN 0.394 nan 8.270 nan 0.000 0.421 284 K N 0.536 120.668 120.400 -0.447 0.000 2.442 284 K HA -0.006 4.314 4.320 -0.000 0.000 0.198 284 K C 1.975 178.424 176.600 -0.251 0.000 1.044 284 K CA 1.304 57.319 56.287 -0.452 0.000 0.948 284 K CB -0.001 31.989 32.500 -0.850 0.000 0.762 284 K HN 0.528 nan 8.250 nan 0.000 0.472 285 S N 0.613 116.193 115.700 -0.201 0.000 2.470 285 S HA 0.134 4.604 4.470 -0.000 0.000 0.222 285 S C 1.886 176.402 174.600 -0.140 0.000 1.024 285 S CA -0.007 58.127 58.200 -0.110 0.000 0.931 285 S CB 0.188 63.378 63.200 -0.017 0.000 0.791 285 S HN 0.149 nan 8.310 nan 0.000 0.513 286 L N 1.307 122.385 121.223 -0.243 0.000 2.156 286 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 286 L C 2.443 179.217 176.870 -0.160 0.000 1.095 286 L CA 1.074 55.779 54.840 -0.225 0.000 0.770 286 L CB -0.289 41.554 42.059 -0.359 0.000 0.914 286 L HN 0.285 nan 8.230 nan 0.000 0.439 287 E N -0.002 120.094 120.200 -0.173 0.000 2.012 287 E HA -0.289 4.061 4.350 -0.000 0.000 0.197 287 E C 2.235 178.774 176.600 -0.103 0.000 1.007 287 E CA 1.511 57.830 56.400 -0.135 0.000 0.816 287 E CB -0.062 29.550 29.700 -0.147 0.000 0.762 287 E HN 0.212 nan 8.360 nan 0.000 0.451 288 R N 0.274 120.711 120.500 -0.105 0.000 2.105 288 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 288 R C 2.072 178.400 176.300 0.046 0.000 1.135 288 R CA 1.546 57.609 56.100 -0.062 0.000 0.967 288 R CB -0.247 29.950 30.300 -0.172 0.000 0.861 288 R HN 0.198 nan 8.270 nan 0.000 0.442 289 A N -0.460 122.355 122.820 -0.008 0.000 1.873 289 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 289 A C 2.214 179.814 177.584 0.027 0.000 1.186 289 A CA 1.690 53.740 52.037 0.021 0.000 0.616 289 A CB -0.917 18.075 19.000 -0.014 0.000 0.823 289 A HN 0.444 nan 8.150 nan 0.000 0.442 290 S N -0.901 114.786 115.700 -0.022 0.000 2.399 290 S HA -0.244 4.226 4.470 -0.000 0.000 0.231 290 S C 2.190 176.759 174.600 -0.051 0.000 1.022 290 S CA 1.754 59.932 58.200 -0.036 0.000 0.983 290 S CB -0.359 62.805 63.200 -0.059 0.000 0.803 290 S HN 0.680 nan 8.310 nan 0.000 0.480 291 Q N -0.726 119.027 119.800 -0.077 0.000 2.002 291 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 291 Q C 0.956 176.820 176.000 -0.228 0.000 0.988 291 Q CA 1.887 57.575 55.803 -0.191 0.000 0.843 291 Q CB -0.259 28.303 28.738 -0.293 0.000 0.908 291 Q HN 0.754 nan 8.270 nan 0.000 0.420 292 Y N 0.593 120.852 120.300 -0.068 0.000 2.462 292 Y HA 0.126 4.676 4.550 0.000 0.000 0.293 292 Y C -0.128 175.749 175.900 -0.038 0.000 1.195 292 Y CA -0.031 58.038 58.100 -0.052 0.000 1.276 292 Y CB 0.260 38.686 38.460 -0.057 0.000 1.082 292 Y HN 0.230 nan 8.280 nan 0.000 0.514 293 N N 0.596 119.334 118.700 0.064 0.000 2.756 293 N HA -0.194 4.546 4.740 -0.000 0.000 0.248 293 N C -1.154 174.380 175.510 0.040 0.000 1.062 293 N CA 0.739 53.809 53.050 0.034 0.000 0.696 293 N CB -1.752 36.749 38.487 0.023 0.000 0.946 293 N HN 0.389 nan 8.380 nan 0.000 0.548 294 I N 0.718 121.313 120.570 0.041 0.000 2.359 294 I HA 0.224 4.394 4.170 -0.000 0.000 0.284 294 I C 0.775 176.900 176.117 0.013 0.000 1.018 294 I CA -0.526 60.789 61.300 0.025 0.000 1.173 294 I CB 1.030 39.043 38.000 0.021 0.000 1.326 294 I HN -0.143 nan 8.210 nan 0.000 0.462 295 R N 3.918 124.426 120.500 0.013 0.000 2.438 295 R HA 0.511 4.851 4.340 -0.000 0.000 0.287 295 R C 0.959 177.270 176.300 0.018 0.000 1.077 295 R CA 0.524 56.633 56.100 0.016 0.000 1.034 295 R CB 0.822 31.132 30.300 0.017 0.000 0.993 295 R HN 0.959 nan 8.270 nan 0.000 0.459 296 G N 1.216 110.036 108.800 0.032 0.000 2.559 296 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.202 296 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.202 296 G C -0.367 174.570 174.900 0.062 0.000 0.992 296 G CA -0.669 44.453 45.100 0.037 0.000 0.764 296 G HN 0.428 nan 8.290 nan 0.000 0.525 297 V N 3.484 123.449 119.914 0.085 0.000 2.370 297 V HA 0.533 4.653 4.120 -0.000 0.000 0.257 297 V C 1.008 177.298 176.094 0.328 0.000 1.064 297 V CA 0.768 63.163 62.300 0.158 0.000 0.975 297 V CB 0.234 32.124 31.823 0.112 0.000 1.067 297 V HN 0.646 nan 8.190 nan 0.000 0.485 298 T N 1.228 115.936 114.554 0.257 0.000 2.949 298 T HA 0.375 4.725 4.350 -0.000 0.000 0.287 298 T C 0.692 175.319 174.700 -0.121 0.000 1.034 298 T CA -0.528 61.681 62.100 0.182 0.000 1.018 298 T CB 1.250 70.162 68.868 0.074 0.000 1.135 298 T HN 0.358 nan 8.240 nan 0.000 0.532 299 Y N 0.425 120.308 120.300 -0.696 0.000 2.293 299 Y HA 0.043 4.593 4.550 -0.000 0.000 0.291 299 Y C 2.861 178.573 175.900 -0.313 0.000 1.137 299 Y CA 1.345 58.951 58.100 -0.824 0.000 1.202 299 Y CB 0.000 37.998 38.460 -0.770 0.000 0.990 299 Y HN 0.659 nan 8.280 nan 0.000 0.537 300 R N -0.451 120.021 120.500 -0.048 0.000 2.073 300 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 300 R C 2.143 178.412 176.300 -0.053 0.000 1.120 300 R CA 1.364 57.454 56.100 -0.017 0.000 0.967 300 R CB -0.433 29.878 30.300 0.019 0.000 0.862 300 R HN 0.426 nan 8.270 nan 0.000 0.436 301 L N 0.532 121.735 121.223 -0.034 0.000 2.056 301 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 301 L C 1.989 178.841 176.870 -0.030 0.000 1.078 301 L CA 1.843 56.675 54.840 -0.012 0.000 0.749 301 L CB -0.420 41.651 42.059 0.019 0.000 0.901 301 L HN 0.157 nan 8.230 nan 0.000 0.433 302 T N -1.078 113.438 114.554 -0.063 0.000 2.652 302 T HA -0.302 4.048 4.350 -0.000 0.000 0.267 302 T C 1.798 176.417 174.700 -0.136 0.000 1.039 302 T CA 1.890 63.945 62.100 -0.076 0.000 1.153 302 T CB -0.242 68.569 68.868 -0.094 0.000 0.863 302 T HN 0.428 nan 8.240 nan 0.000 0.428 303 Q N 0.120 119.779 119.800 -0.236 0.000 2.124 303 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 303 Q C 2.464 178.407 176.000 -0.095 0.000 0.977 303 Q CA 1.506 57.192 55.803 -0.196 0.000 0.850 303 Q CB -0.477 28.136 28.738 -0.208 0.000 0.901 303 Q HN 0.597 nan 8.270 nan 0.000 0.429 304 G N -0.081 108.681 108.800 -0.064 0.000 2.604 304 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 304 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 304 G C 1.383 176.275 174.900 -0.013 0.000 1.265 304 G CA 1.083 46.166 45.100 -0.028 0.000 0.804 304 G HN 0.294 nan 8.290 nan 0.000 0.579 305 V N 0.447 120.365 119.914 0.007 0.000 2.313 305 V HA -0.244 3.876 4.120 -0.000 0.000 0.253 305 V C 3.078 179.189 176.094 0.029 0.000 1.070 305 V CA 1.864 64.192 62.300 0.046 0.000 1.057 305 V CB -0.619 31.248 31.823 0.073 0.000 0.653 305 V HN 0.243 nan 8.190 nan 0.000 0.450 306 V N -0.678 119.232 119.914 -0.007 0.000 2.244 306 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 306 V C 2.321 178.387 176.094 -0.048 0.000 1.042 306 V CA 1.831 64.111 62.300 -0.032 0.000 1.006 306 V CB -0.594 31.189 31.823 -0.066 0.000 0.641 306 V HN 0.456 nan 8.190 nan 0.000 0.446 307 K N -0.058 120.309 120.400 -0.055 0.000 2.487 307 K HA 0.088 4.408 4.320 -0.000 0.000 0.192 307 K C 0.168 176.743 176.600 -0.042 0.000 1.027 307 K CA -0.064 56.189 56.287 -0.057 0.000 1.054 307 K CB -0.028 32.437 32.500 -0.059 0.000 0.824 307 K HN 0.416 nan 8.250 nan 0.000 0.510 308 R N 0.787 121.271 120.500 -0.028 0.000 3.059 308 R HA -0.179 4.161 4.340 -0.000 0.000 0.251 308 R C -0.360 175.927 176.300 -0.022 0.000 0.886 308 R CA 0.476 56.564 56.100 -0.020 0.000 0.634 308 R CB -2.542 27.741 30.300 -0.028 0.000 1.282 308 R HN 0.244 nan 8.270 nan 0.000 0.487 309 I N 2.864 123.422 120.570 -0.019 0.000 2.416 309 I HA 0.100 4.270 4.170 -0.000 0.000 0.288 309 I C 1.325 177.433 176.117 -0.015 0.000 1.051 309 I CA -0.366 60.922 61.300 -0.020 0.000 1.375 309 I CB 0.663 38.651 38.000 -0.021 0.000 1.407 309 I HN 0.111 nan 8.210 nan 0.000 0.516 310 I N 8.715 129.276 120.570 -0.016 0.000 2.396 310 I HA 0.201 4.371 4.170 -0.000 0.000 0.289 310 I C -1.906 174.194 176.117 -0.029 0.000 1.056 310 I CA -1.979 59.311 61.300 -0.017 0.000 1.365 310 I CB 0.001 37.995 38.000 -0.010 0.000 1.407 310 I HN 0.256 nan 8.210 nan 0.000 0.509 311 P HA 0.284 nan 4.420 nan 0.000 0.266 311 P C -0.765 176.470 177.300 -0.108 0.000 1.215 311 P CA -0.054 63.003 63.100 -0.071 0.000 0.763 311 P CB 0.675 32.325 31.700 -0.084 0.000 0.806 312 A N 3.010 125.771 122.820 -0.098 0.000 2.398 312 A HA 0.656 4.976 4.320 -0.000 0.000 0.301 312 A C -0.356 177.173 177.584 -0.091 0.000 1.041 312 A CA -0.576 51.404 52.037 -0.095 0.000 0.711 312 A CB 1.356 20.330 19.000 -0.044 0.000 1.240 312 A HN 0.406 nan 8.150 nan 0.000 0.420 313 V N -0.621 119.229 119.914 -0.108 0.000 3.113 313 V HA 0.893 5.013 4.120 -0.000 0.000 0.316 313 V C 1.006 177.103 176.094 0.005 0.000 1.125 313 V CA -0.017 62.259 62.300 -0.040 0.000 1.026 313 V CB 1.272 33.080 31.823 -0.024 0.000 1.080 313 V HN 1.517 nan 8.190 nan 0.000 0.444 314 A N 0.959 123.799 122.820 0.033 0.000 1.929 314 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 314 A C 2.276 179.882 177.584 0.037 0.000 1.176 314 A CA 2.097 54.158 52.037 0.039 0.000 0.628 314 A CB -1.065 17.958 19.000 0.038 0.000 0.816 314 A HN 1.529 nan 8.150 nan 0.000 0.444 315 S N -0.064 115.674 115.700 0.063 0.000 2.353 315 S HA -0.195 4.275 4.470 -0.000 0.000 0.222 315 S C 1.901 176.544 174.600 0.072 0.000 1.035 315 S CA 2.064 60.309 58.200 0.075 0.000 1.025 315 S CB -1.464 61.819 63.200 0.139 0.000 0.902 315 S HN 0.504 nan 8.310 nan 0.000 0.440 316 T N 3.022 117.655 114.554 0.132 0.000 2.684 316 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 316 T C 1.840 176.549 174.700 0.014 0.000 1.036 316 T CA 1.451 63.634 62.100 0.139 0.000 1.148 316 T CB -0.679 68.300 68.868 0.185 0.000 0.863 316 T HN 0.408 nan 8.240 nan 0.000 0.436 317 N N 1.443 120.150 118.700 0.013 0.000 2.061 317 N HA -0.117 4.623 4.740 -0.000 0.000 0.193 317 N C 2.273 177.764 175.510 -0.033 0.000 1.030 317 N CA 1.548 54.594 53.050 -0.006 0.000 0.856 317 N CB -0.589 37.905 38.487 0.012 0.000 1.023 317 N HN 0.442 nan 8.380 nan 0.000 0.424 318 A N 1.318 124.119 122.820 -0.031 0.000 1.869 318 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 318 A C 2.615 180.127 177.584 -0.119 0.000 1.203 318 A CA 1.997 53.999 52.037 -0.058 0.000 0.638 318 A CB -1.128 17.834 19.000 -0.063 0.000 0.831 318 A HN 0.118 nan 8.150 nan 0.000 0.450 319 V N 0.483 120.284 119.914 -0.189 0.000 2.250 319 V HA -0.330 3.790 4.120 -0.000 0.000 0.250 319 V C 2.483 178.401 176.094 -0.293 0.000 1.060 319 V CA 2.245 64.339 62.300 -0.343 0.000 1.030 319 V CB -0.728 30.659 31.823 -0.726 0.000 0.643 319 V HN 0.556 nan 8.190 nan 0.000 0.445 320 I N 0.332 120.764 120.570 -0.230 0.000 2.202 320 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 320 I C 2.686 178.731 176.117 -0.119 0.000 1.091 320 I CA 1.956 63.160 61.300 -0.159 0.000 1.368 320 I CB -1.783 36.160 38.000 -0.094 0.000 1.058 320 I HN 0.327 nan 8.210 nan 0.000 0.410 321 A N 0.744 123.510 122.820 -0.091 0.000 2.019 321 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 321 A C 2.546 180.086 177.584 -0.074 0.000 1.164 321 A CA 1.788 53.785 52.037 -0.066 0.000 0.644 321 A CB -0.626 18.352 19.000 -0.035 0.000 0.805 321 A HN 0.421 nan 8.150 nan 0.000 0.449 322 A N -0.359 122.404 122.820 -0.095 0.000 1.855 322 A HA 0.031 4.351 4.320 -0.000 0.000 0.215 322 A C 2.206 179.728 177.584 -0.104 0.000 1.191 322 A CA 1.681 53.659 52.037 -0.098 0.000 0.613 322 A CB -1.072 17.855 19.000 -0.121 0.000 0.829 322 A HN 0.397 nan 8.150 nan 0.000 0.442 323 V N -0.049 119.790 119.914 -0.126 0.000 2.231 323 V HA -0.422 3.697 4.120 -0.000 0.000 0.250 323 V C 2.717 178.754 176.094 -0.095 0.000 1.058 323 V CA 2.293 64.520 62.300 -0.121 0.000 1.022 323 V CB -1.578 30.160 31.823 -0.141 0.000 0.640 323 V HN 0.721 nan 8.190 nan 0.000 0.445 324 C N 0.333 119.577 119.300 -0.094 0.000 2.376 324 C HA -0.211 4.249 4.460 -0.000 0.000 0.275 324 C C 3.120 178.075 174.990 -0.059 0.000 1.200 324 C CA 0.978 59.948 59.018 -0.080 0.000 1.756 324 C CB -1.643 26.048 27.740 -0.081 0.000 2.050 324 C HN 0.679 nan 8.230 nan 0.000 0.460 325 A N 0.525 123.312 122.820 -0.054 0.000 1.851 325 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 325 A C 2.181 179.783 177.584 0.031 0.000 1.195 325 A CA 2.886 54.907 52.037 -0.026 0.000 0.622 325 A CB -1.486 17.500 19.000 -0.023 0.000 0.831 325 A HN 0.584 nan 8.150 nan 0.000 0.444 326 T N 0.189 114.740 114.554 -0.006 0.000 2.649 326 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 326 T C 1.751 176.510 174.700 0.099 0.000 1.036 326 T CA 1.807 63.916 62.100 0.015 0.000 1.157 326 T CB -0.352 68.474 68.868 -0.070 0.000 0.861 326 T HN 0.515 nan 8.240 nan 0.000 0.445 327 E N 0.471 120.693 120.200 0.036 0.000 2.107 327 E HA -0.007 4.343 4.350 -0.000 0.000 0.191 327 E C 2.536 179.175 176.600 0.066 0.000 0.982 327 E CA 0.435 56.858 56.400 0.039 0.000 0.809 327 E CB -0.693 28.997 29.700 -0.016 0.000 0.756 327 E HN 0.364 nan 8.360 nan 0.000 0.459 328 V N 1.358 121.301 119.914 0.048 0.000 2.295 328 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 328 V C 2.166 178.377 176.094 0.194 0.000 1.049 328 V CA 1.833 64.145 62.300 0.020 0.000 1.024 328 V CB -0.657 31.072 31.823 -0.156 0.000 0.648 328 V HN 0.140 nan 8.190 nan 0.000 0.447 329 F N 1.122 121.184 119.950 0.186 0.000 2.069 329 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 329 F C 2.426 178.334 175.800 0.179 0.000 1.113 329 F CA 2.153 60.341 58.000 0.314 0.000 1.214 329 F CB -0.302 38.828 39.000 0.218 0.000 0.978 329 F HN -0.013 nan 8.300 nan 0.000 0.474 330 K N 0.289 120.810 120.400 0.201 0.000 2.032 330 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 330 K C 2.044 178.644 176.600 -0.000 0.000 1.048 330 K CA 2.257 58.605 56.287 0.100 0.000 0.927 330 K CB -0.403 32.196 32.500 0.165 0.000 0.712 330 K HN 0.350 nan 8.250 nan 0.000 0.441 331 I N 0.556 121.137 120.570 0.018 0.000 2.163 331 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 331 I C 2.449 178.540 176.117 -0.045 0.000 1.081 331 I CA 1.258 62.547 61.300 -0.018 0.000 1.353 331 I CB -0.387 37.614 38.000 0.002 0.000 1.054 331 I HN 0.160 nan 8.210 nan 0.000 0.407 332 A N 0.438 123.260 122.820 0.003 0.000 1.940 332 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 332 A C 2.353 179.865 177.584 -0.120 0.000 1.176 332 A CA 2.556 54.591 52.037 -0.002 0.000 0.631 332 A CB -1.070 18.050 19.000 0.199 0.000 0.814 332 A HN 0.553 nan 8.150 nan 0.000 0.446 333 T N -5.931 108.481 114.554 -0.237 0.000 3.022 333 T HA 0.232 4.582 4.350 -0.000 0.000 0.250 333 T C 0.768 175.411 174.700 -0.094 0.000 1.060 333 T CA 0.967 62.907 62.100 -0.268 0.000 1.013 333 T CB -0.032 68.475 68.868 -0.602 0.000 0.982 333 T HN 0.529 nan 8.240 nan 0.000 0.508 334 S N 0.385 116.030 115.700 -0.092 0.000 3.521 334 S HA -0.229 4.241 4.470 -0.000 0.000 0.328 334 S C 1.353 176.033 174.600 0.133 0.000 1.165 334 S CA 0.520 58.701 58.200 -0.032 0.000 0.941 334 S CB -1.802 61.354 63.200 -0.074 0.000 0.951 334 S HN 1.052 nan 8.310 nan 0.000 0.539 335 A N -1.286 121.550 122.820 0.028 0.000 2.119 335 A HA 0.398 4.718 4.320 -0.000 0.000 0.217 335 A C 0.463 177.746 177.584 -0.501 0.000 1.153 335 A CA 1.153 53.064 52.037 -0.210 0.000 0.692 335 A CB 0.054 19.052 19.000 -0.003 0.000 0.799 335 A HN 0.687 nan 8.150 nan 0.000 0.458 336 Y N -2.708 117.613 120.300 0.034 0.000 2.689 336 Y HA 0.455 5.005 4.550 -0.000 0.000 0.333 336 Y C -0.522 175.461 175.900 0.138 0.000 1.208 336 Y CA -1.256 56.888 58.100 0.074 0.000 1.055 336 Y CB 1.043 39.538 38.460 0.058 0.000 1.304 336 Y HN -0.029 nan 8.280 nan 0.000 0.455 337 I N 3.850 124.617 120.570 0.328 0.000 2.505 337 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 337 I C -2.265 173.958 176.117 0.177 0.000 1.104 337 I CA -1.468 59.987 61.300 0.258 0.000 1.387 337 I CB -0.141 37.947 38.000 0.145 0.000 1.404 337 I HN 0.193 nan 8.210 nan 0.000 0.528 338 P HA -0.072 nan 4.420 nan 0.000 0.267 338 P C -0.343 176.978 177.300 0.035 0.000 1.201 338 P CA -0.442 62.706 63.100 0.080 0.000 0.775 338 P CB 0.377 32.117 31.700 0.067 0.000 0.854 339 L N 2.741 123.960 121.223 -0.007 0.000 2.667 339 L HA -0.035 4.305 4.340 -0.000 0.000 0.278 339 L C 0.531 177.374 176.870 -0.044 0.000 1.217 339 L CA 0.622 55.436 54.840 -0.044 0.000 0.935 339 L CB -0.734 41.279 42.059 -0.077 0.000 1.193 339 L HN 0.228 nan 8.230 nan 0.000 0.493 340 N N 5.634 124.307 118.700 -0.045 0.000 3.178 340 N HA 0.100 4.840 4.740 -0.000 0.000 0.300 340 N C 0.082 175.538 175.510 -0.091 0.000 1.242 340 N CA 0.317 53.340 53.050 -0.044 0.000 1.192 340 N CB -0.456 38.019 38.487 -0.021 0.000 1.463 340 N HN 0.823 nan 8.380 nan 0.000 0.539 341 N N -0.287 118.349 118.700 -0.108 0.000 2.167 341 N HA -0.218 4.522 4.740 -0.000 0.000 0.216 341 N C -1.076 174.321 175.510 -0.189 0.000 1.402 341 N CA 0.351 53.317 53.050 -0.141 0.000 4.079 341 N CB -0.768 37.612 38.487 -0.179 0.000 0.986 341 N HN 0.354 nan 8.380 nan 0.000 0.585 342 Y N 1.480 121.492 120.300 -0.480 0.000 2.477 342 Y HA 0.743 5.293 4.550 -0.000 0.000 0.347 342 Y C -1.047 174.626 175.900 -0.379 0.000 0.981 342 Y CA -0.693 57.083 58.100 -0.540 0.000 1.033 342 Y CB 1.521 39.309 38.460 -1.121 0.000 1.245 342 Y HN 0.327 nan 8.280 nan 0.000 0.455 343 L N 5.783 126.843 121.223 -0.271 0.000 2.464 343 L HA 0.812 5.152 4.340 -0.000 0.000 0.266 343 L C -1.929 174.963 176.870 0.036 0.000 0.965 343 L CA -0.718 54.089 54.840 -0.056 0.000 0.833 343 L CB 1.679 43.674 42.059 -0.108 0.000 1.296 343 L HN 0.462 nan 8.230 nan 0.000 0.405 344 V N 3.910 123.977 119.914 0.255 0.000 2.581 344 V HA 0.533 4.653 4.120 -0.000 0.000 0.303 344 V C -0.799 175.463 176.094 0.279 0.000 1.041 344 V CA -0.541 61.941 62.300 0.303 0.000 0.907 344 V CB 1.661 33.738 31.823 0.423 0.000 0.994 344 V HN 0.618 nan 8.190 nan 0.000 0.442 345 F N 3.665 123.678 119.950 0.105 0.000 2.540 345 F HA 0.770 5.297 4.527 -0.000 0.000 0.317 345 F C -0.606 175.279 175.800 0.142 0.000 1.104 345 F CA -0.477 57.576 58.000 0.088 0.000 0.913 345 F CB 1.922 40.948 39.000 0.043 0.000 1.170 345 F HN 0.539 nan 8.300 nan 0.000 0.450 346 N N 3.725 122.070 118.700 -0.592 0.000 2.336 346 N HA 0.261 5.001 4.740 -0.000 0.000 0.290 346 N C -0.938 174.198 175.510 -0.624 0.000 1.058 346 N CA -0.372 52.441 53.050 -0.395 0.000 0.865 346 N CB 1.843 40.300 38.487 -0.051 0.000 1.581 346 N HN 0.682 nan 8.380 nan 0.000 0.480 347 D N 1.918 122.095 120.400 -0.371 0.000 2.479 347 D HA 0.173 4.813 4.640 -0.000 0.000 0.216 347 D C 1.399 177.556 176.300 -0.238 0.000 1.110 347 D CA 0.345 54.170 54.000 -0.291 0.000 0.841 347 D CB 0.716 41.513 40.800 -0.005 0.000 1.040 347 D HN 0.305 nan 8.370 nan 0.000 0.505 348 V N 0.517 120.327 119.914 -0.174 0.000 2.295 348 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 348 V C 0.877 176.874 176.094 -0.162 0.000 1.049 348 V CA 1.457 63.642 62.300 -0.192 0.000 1.024 348 V CB -0.076 31.714 31.823 -0.055 0.000 0.648 348 V HN 0.152 nan 8.190 nan 0.000 0.447 349 D N -0.933 119.397 120.400 -0.117 0.000 2.446 349 D HA 0.449 5.089 4.640 -0.000 0.000 0.251 349 D C 0.477 176.731 176.300 -0.075 0.000 1.137 349 D CA 0.844 54.789 54.000 -0.091 0.000 0.890 349 D CB 0.696 41.450 40.800 -0.077 0.000 1.071 349 D HN 0.339 nan 8.370 nan 0.000 0.528 350 G N 2.968 111.726 108.800 -0.070 0.000 2.574 350 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.282 350 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.282 350 G C -0.886 173.984 174.900 -0.051 0.000 1.257 350 G CA -0.269 44.806 45.100 -0.043 0.000 0.956 350 G HN 0.501 nan 8.290 nan 0.000 0.560 351 L N -0.248 120.971 121.223 -0.008 0.000 2.381 351 L HA 0.679 5.019 4.340 -0.000 0.000 0.274 351 L C -0.775 176.134 176.870 0.065 0.000 0.988 351 L CA -0.599 54.231 54.840 -0.016 0.000 0.824 351 L CB 1.252 43.345 42.059 0.057 0.000 1.263 351 L HN 0.738 nan 8.230 nan 0.000 0.410 352 Y N 2.379 122.587 120.300 -0.154 0.000 2.442 352 Y HA 0.654 5.204 4.550 -0.000 0.000 0.344 352 Y C -0.219 175.679 175.900 -0.003 0.000 0.976 352 Y CA -0.731 57.334 58.100 -0.058 0.000 1.040 352 Y CB 2.073 40.498 38.460 -0.058 0.000 1.228 352 Y HN 0.660 nan 8.280 nan 0.000 0.451 353 T N 2.821 117.007 114.554 -0.613 0.000 2.886 353 T HA 0.469 4.819 4.350 -0.000 0.000 0.292 353 T C -1.951 172.394 174.700 -0.591 0.000 1.012 353 T CA -0.678 61.188 62.100 -0.391 0.000 0.982 353 T CB 1.531 70.374 68.868 -0.041 0.000 1.018 353 T HN 0.568 nan 8.240 nan 0.000 0.451 354 Y N 1.643 121.741 120.300 -0.337 0.000 2.350 354 Y HA 0.618 5.168 4.550 -0.000 0.000 0.338 354 Y C -0.699 175.285 175.900 0.140 0.000 0.961 354 Y CA -0.675 57.374 58.100 -0.084 0.000 1.100 354 Y CB 2.088 40.619 38.460 0.119 0.000 1.179 354 Y HN 0.920 nan 8.280 nan 0.000 0.454 355 T N 7.973 122.250 114.554 -0.461 0.000 2.823 355 T HA 0.673 5.023 4.350 -0.000 0.000 0.279 355 T C -1.259 173.159 174.700 -0.469 0.000 0.998 355 T CA -0.358 61.539 62.100 -0.339 0.000 0.994 355 T CB 0.575 69.326 68.868 -0.195 0.000 0.960 355 T HN 0.517 nan 8.240 nan 0.000 0.448 356 F N -0.325 119.394 119.950 -0.385 0.000 2.711 356 F HA 0.668 5.195 4.527 -0.000 0.000 0.313 356 F C -0.853 174.903 175.800 -0.074 0.000 1.141 356 F CA -1.322 56.518 58.000 -0.267 0.000 0.941 356 F CB 1.530 40.366 39.000 -0.274 0.000 1.349 356 F HN 0.445 nan 8.300 nan 0.000 0.464 357 E N 1.895 122.134 120.200 0.066 0.000 2.028 357 E HA 0.577 4.927 4.350 -0.000 0.000 0.266 357 E C -0.731 175.927 176.600 0.096 0.000 0.962 357 E CA -0.844 55.553 56.400 -0.006 0.000 0.784 357 E CB 1.097 30.823 29.700 0.043 0.000 1.114 357 E HN 0.942 nan 8.360 nan 0.000 0.414 358 A N 4.748 127.527 122.820 -0.069 0.000 2.492 358 A HA 0.022 4.342 4.320 -0.000 0.000 0.254 358 A C 0.327 177.960 177.584 0.082 0.000 1.091 358 A CA -0.089 52.002 52.037 0.090 0.000 0.768 358 A CB 0.279 19.270 19.000 -0.015 0.000 1.028 358 A HN 0.792 nan 8.150 nan 0.000 0.498 359 E N 2.233 122.497 120.200 0.108 0.000 2.344 359 E HA 0.107 4.457 4.350 -0.000 0.000 0.270 359 E C 0.308 176.940 176.600 0.053 0.000 1.021 359 E CA -0.373 56.069 56.400 0.069 0.000 0.887 359 E CB 0.433 30.172 29.700 0.064 0.000 0.997 359 E HN 0.633 nan 8.360 nan 0.000 0.429 360 R N 3.751 124.276 120.500 0.041 0.000 2.537 360 R HA 0.045 4.385 4.340 -0.000 0.000 0.280 360 R C -0.286 176.033 176.300 0.031 0.000 1.058 360 R CA 0.030 56.151 56.100 0.035 0.000 1.057 360 R CB 0.545 30.864 30.300 0.032 0.000 0.973 360 R HN 0.384 nan 8.270 nan 0.000 0.438 361 K N 3.202 123.619 120.400 0.028 0.000 2.312 361 K HA 0.039 4.359 4.320 -0.000 0.000 0.287 361 K C 1.087 177.695 176.600 0.013 0.000 1.062 361 K CA 0.383 56.684 56.287 0.022 0.000 0.934 361 K CB 1.463 33.977 32.500 0.024 0.000 1.027 361 K HN 0.800 nan 8.250 nan 0.000 0.478 362 E N 3.077 123.283 120.200 0.009 0.000 2.153 362 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 362 E C 1.116 177.710 176.600 -0.010 0.000 0.988 362 E CA 1.768 58.167 56.400 -0.000 0.000 0.811 362 E CB -0.657 29.042 29.700 -0.001 0.000 0.746 362 E HN 0.724 nan 8.360 nan 0.000 0.466 363 N N -1.135 117.563 118.700 -0.005 0.000 2.398 363 N HA 0.110 4.850 4.740 -0.000 0.000 0.188 363 N C 0.361 175.860 175.510 -0.018 0.000 1.122 363 N CA -0.125 52.919 53.050 -0.010 0.000 0.866 363 N CB -0.045 38.445 38.487 0.005 0.000 0.970 363 N HN 0.447 nan 8.380 nan 0.000 0.462 364 C N 2.352 121.645 119.300 -0.012 0.000 2.465 364 C HA 0.005 4.465 4.460 -0.000 0.000 0.402 364 C C -0.992 173.976 174.990 -0.038 0.000 1.448 364 C CA -1.261 57.751 59.018 -0.010 0.000 1.589 364 C CB 0.451 28.192 27.740 0.002 0.000 2.535 364 C HN 0.363 nan 8.230 nan 0.000 0.600 365 P HA 0.058 nan 4.420 nan 0.000 0.237 365 P C 0.759 178.014 177.300 -0.075 0.000 1.178 365 P CA 1.597 64.642 63.100 -0.090 0.000 0.766 365 P CB 0.109 31.775 31.700 -0.058 0.000 0.876 366 A N -0.535 122.261 122.820 -0.040 0.000 1.983 366 A HA 0.003 4.323 4.320 -0.000 0.000 0.207 366 A C 2.171 179.741 177.584 -0.024 0.000 1.412 366 A CA 1.026 53.043 52.037 -0.034 0.000 0.750 366 A CB -1.003 17.986 19.000 -0.018 0.000 1.047 366 A HN 0.345 nan 8.150 nan 0.000 0.504 367 C N -0.010 119.285 119.300 -0.008 0.000 2.674 367 C HA 0.410 4.870 4.460 -0.000 0.000 0.276 367 C C 1.588 176.589 174.990 0.018 0.000 1.300 367 C CA 0.128 59.156 59.018 0.016 0.000 1.732 367 C CB -1.397 26.359 27.740 0.026 0.000 2.076 367 C HN 0.543 nan 8.230 nan 0.000 0.548 368 S N 0.318 116.008 115.700 -0.017 0.000 2.603 368 S HA 0.246 4.716 4.470 -0.000 0.000 0.268 368 S C 0.650 175.196 174.600 -0.089 0.000 1.317 368 S CA 0.074 58.246 58.200 -0.046 0.000 1.012 368 S CB 0.964 64.135 63.200 -0.049 0.000 0.926 368 S HN 0.652 nan 8.310 nan 0.000 0.539 369 Q N 0.696 120.403 119.800 -0.154 0.000 2.008 369 Q HA 0.153 4.493 4.340 -0.000 0.000 0.196 369 Q C 1.009 176.914 176.000 -0.159 0.000 0.973 369 Q CA 1.276 56.940 55.803 -0.230 0.000 0.826 369 Q CB -0.482 28.019 28.738 -0.395 0.000 0.894 369 Q HN 0.868 nan 8.270 nan 0.000 0.439 370 L N 1.990 123.134 121.223 -0.131 0.000 2.397 370 L HA 0.346 4.686 4.340 -0.000 0.000 0.271 370 L C -1.914 174.898 176.870 -0.097 0.000 1.148 370 L CA -1.534 53.246 54.840 -0.099 0.000 0.825 370 L CB -1.178 40.835 42.059 -0.075 0.000 1.117 370 L HN 0.088 nan 8.230 nan 0.000 0.456 371 P HA 0.077 nan 4.420 nan 0.000 0.267 371 P C -0.370 176.856 177.300 -0.124 0.000 1.195 371 P CA -0.071 62.958 63.100 -0.119 0.000 0.773 371 P CB 0.362 32.020 31.700 -0.069 0.000 0.837 372 Q N 1.753 121.406 119.800 -0.244 0.000 2.421 372 Q HA 0.126 4.466 4.340 -0.000 0.000 0.255 372 Q C -0.051 175.974 176.000 0.042 0.000 1.013 372 Q CA 0.516 56.210 55.803 -0.181 0.000 0.895 372 Q CB 0.207 28.632 28.738 -0.521 0.000 1.271 372 Q HN 0.366 nan 8.270 nan 0.000 0.460 373 N N 2.091 120.870 118.700 0.130 0.000 2.444 373 N HA 0.397 5.137 4.740 -0.000 0.000 0.262 373 N C -0.445 175.224 175.510 0.265 0.000 0.974 373 N CA -0.287 52.906 53.050 0.238 0.000 0.933 373 N CB 0.894 39.497 38.487 0.193 0.000 1.137 373 N HN 0.451 nan 8.380 nan 0.000 0.498 374 I N -0.737 120.028 120.570 0.325 0.000 2.530 374 I HA 0.540 4.710 4.170 -0.000 0.000 0.297 374 I C -0.716 175.495 176.117 0.156 0.000 1.011 374 I CA -0.978 60.448 61.300 0.209 0.000 1.107 374 I CB 1.834 40.067 38.000 0.388 0.000 1.285 374 I HN 0.035 nan 8.210 nan 0.000 0.436 375 Q N 5.298 124.998 119.800 -0.167 0.000 2.341 375 Q HA 0.663 5.003 4.340 -0.000 0.000 0.268 375 Q C -1.622 174.121 176.000 -0.428 0.000 1.013 375 Q CA -0.015 55.704 55.803 -0.141 0.000 0.798 375 Q CB 2.017 30.660 28.738 -0.157 0.000 1.253 375 Q HN 0.614 nan 8.270 nan 0.000 0.457 376 F N -0.390 119.607 119.950 0.079 0.000 2.599 376 F HA 0.499 5.026 4.527 -0.000 0.000 0.311 376 F C 0.372 176.299 175.800 0.213 0.000 1.076 376 F CA -1.086 56.976 58.000 0.104 0.000 0.937 376 F CB 2.006 41.064 39.000 0.097 0.000 1.282 376 F HN 0.348 nan 8.300 nan 0.000 0.460 377 S N 2.283 118.165 115.700 0.305 0.000 2.562 377 S HA 0.184 4.654 4.470 -0.000 0.000 0.281 377 S C -1.808 172.827 174.600 0.059 0.000 1.333 377 S CA -0.950 57.341 58.200 0.152 0.000 1.052 377 S CB 0.924 64.166 63.200 0.070 0.000 0.884 377 S HN 0.377 nan 8.310 nan 0.000 0.506 378 P HA 0.062 nan 4.420 nan 0.000 0.225 378 P C 0.777 177.888 177.300 -0.314 0.000 1.148 378 P CA 1.369 63.986 63.100 -0.806 0.000 0.779 378 P CB -0.086 31.030 31.700 -0.973 0.000 0.780 379 S N -1.393 114.215 115.700 -0.153 0.000 2.572 379 S HA 0.521 4.991 4.470 -0.000 0.000 0.228 379 S C 0.917 175.504 174.600 -0.021 0.000 0.963 379 S CA -0.342 57.809 58.200 -0.080 0.000 0.939 379 S CB -0.431 62.728 63.200 -0.068 0.000 0.804 379 S HN 0.131 nan 8.310 nan 0.000 0.480 380 A N 0.764 123.598 122.820 0.023 0.000 2.445 380 A HA 0.569 4.889 4.320 -0.000 0.000 0.242 380 A C 1.575 179.150 177.584 -0.015 0.000 1.075 380 A CA 0.413 52.482 52.037 0.053 0.000 0.777 380 A CB 0.083 19.181 19.000 0.163 0.000 1.013 380 A HN 0.662 nan 8.150 nan 0.000 0.493 381 K N 0.961 121.343 120.400 -0.030 0.000 2.062 381 K HA 0.219 4.539 4.320 -0.000 0.000 0.205 381 K C 1.347 177.892 176.600 -0.092 0.000 1.051 381 K CA 1.613 57.866 56.287 -0.055 0.000 0.941 381 K CB -0.433 32.038 32.500 -0.048 0.000 0.719 381 K HN 1.684 nan 8.250 nan 0.000 0.440 382 L N -2.884 118.257 121.223 -0.137 0.000 1.761 382 L HA -0.277 4.063 4.340 -0.000 0.000 0.500 382 L C 1.962 178.728 176.870 -0.174 0.000 0.736 382 L CA 1.874 56.609 54.840 -0.174 0.000 2.971 382 L CB -1.378 40.597 42.059 -0.140 0.000 0.865 382 L HN 0.443 nan 8.230 nan 0.000 0.701 383 Q N 1.556 121.268 119.800 -0.146 0.000 2.112 383 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 383 Q C 1.912 177.872 176.000 -0.067 0.000 0.987 383 Q CA 3.855 59.588 55.803 -0.117 0.000 0.858 383 Q CB -0.324 28.358 28.738 -0.093 0.000 0.905 383 Q HN 0.689 nan 8.270 nan 0.000 0.420 384 E N -0.692 119.473 120.200 -0.058 0.000 2.118 384 E HA -0.132 4.217 4.350 -0.000 0.000 0.195 384 E C 2.040 178.639 176.600 -0.002 0.000 0.992 384 E CA 1.606 58.021 56.400 0.025 0.000 0.804 384 E CB -1.036 28.712 29.700 0.080 0.000 0.741 384 E HN 0.290 nan 8.360 nan 0.000 0.458 385 V N 0.721 120.458 119.914 -0.296 0.000 2.270 385 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 385 V C 2.738 178.792 176.094 -0.066 0.000 1.043 385 V CA 1.698 63.751 62.300 -0.411 0.000 1.014 385 V CB -0.496 30.965 31.823 -0.603 0.000 0.645 385 V HN 0.548 nan 8.190 nan 0.000 0.447 386 L N 0.025 121.202 121.223 -0.075 0.000 2.013 386 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 386 L C 2.495 179.383 176.870 0.029 0.000 1.073 386 L CA 1.875 56.706 54.840 -0.015 0.000 0.753 386 L CB -0.796 41.261 42.059 -0.003 0.000 0.890 386 L HN 0.415 nan 8.230 nan 0.000 0.432 387 D N -0.977 119.455 120.400 0.053 0.000 2.123 387 D HA -0.263 4.377 4.640 -0.000 0.000 0.196 387 D C 1.867 178.244 176.300 0.127 0.000 0.992 387 D CA 1.373 55.422 54.000 0.081 0.000 0.833 387 D CB -0.313 40.542 40.800 0.091 0.000 0.954 387 D HN 0.350 nan 8.370 nan 0.000 0.455 388 Y N 1.495 121.849 120.300 0.090 0.000 2.181 388 Y HA -0.125 4.425 4.550 -0.000 0.000 0.288 388 Y C 2.216 178.163 175.900 0.078 0.000 1.146 388 Y CA 1.162 59.341 58.100 0.131 0.000 1.164 388 Y CB -0.389 38.252 38.460 0.301 0.000 0.982 388 Y HN -0.093 nan 8.280 nan 0.000 0.515 389 L N -1.081 120.112 121.223 -0.049 0.000 2.093 389 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 389 L C 2.241 179.050 176.870 -0.102 0.000 1.085 389 L CA 1.784 56.542 54.840 -0.136 0.000 0.755 389 L CB -0.881 41.114 42.059 -0.107 0.000 0.904 389 L HN 0.215 nan 8.230 nan 0.000 0.435 390 T N -0.520 114.002 114.554 -0.053 0.000 2.770 390 T HA -0.067 4.283 4.350 -0.000 0.000 0.263 390 T C 1.597 176.270 174.700 -0.046 0.000 1.039 390 T CA 1.345 63.428 62.100 -0.029 0.000 1.142 390 T CB -0.100 68.769 68.868 0.001 0.000 0.868 390 T HN 0.288 nan 8.240 nan 0.000 0.435 391 N N 1.023 119.689 118.700 -0.056 0.000 2.409 391 N HA 0.101 4.841 4.740 -0.000 0.000 0.174 391 N C 0.817 176.281 175.510 -0.077 0.000 1.037 391 N CA 0.111 53.136 53.050 -0.042 0.000 0.898 391 N CB -0.322 38.166 38.487 0.001 0.000 1.010 391 N HN 0.225 nan 8.380 nan 0.000 0.445 392 S N 0.673 116.258 115.700 -0.193 0.000 2.596 392 S HA 0.119 4.589 4.470 -0.000 0.000 0.298 392 S C 1.290 175.832 174.600 -0.097 0.000 1.255 392 S CA -0.167 57.905 58.200 -0.213 0.000 1.083 392 S CB 0.335 63.199 63.200 -0.559 0.000 0.837 392 S HN 0.367 nan 8.310 nan 0.000 0.499 393 A N 4.241 127.041 122.820 -0.033 0.000 2.259 393 A HA 0.023 4.343 4.320 -0.000 0.000 0.212 393 A C 2.013 179.602 177.584 0.009 0.000 1.178 393 A CA 1.329 53.365 52.037 -0.002 0.000 0.734 393 A CB -0.594 18.416 19.000 0.016 0.000 0.774 393 A HN 1.079 nan 8.150 nan 0.000 0.481 394 S N -1.512 114.187 115.700 -0.002 0.000 2.506 394 S HA 0.264 4.734 4.470 -0.000 0.000 0.219 394 S C 1.527 176.137 174.600 0.016 0.000 1.031 394 S CA 0.242 58.454 58.200 0.019 0.000 0.911 394 S CB -0.210 63.012 63.200 0.037 0.000 0.812 394 S HN 0.404 nan 8.310 nan 0.000 0.497 395 L N 0.394 121.605 121.223 -0.019 0.000 2.185 395 L HA 0.252 4.592 4.340 -0.000 0.000 0.198 395 L C 0.709 177.581 176.870 0.004 0.000 1.079 395 L CA 0.330 55.174 54.840 0.005 0.000 0.780 395 L CB -0.635 41.408 42.059 -0.027 0.000 0.955 395 L HN 0.192 nan 8.230 nan 0.000 0.462 396 Q N 0.695 120.479 119.800 -0.027 0.000 2.435 396 Q HA -0.211 4.129 4.340 -0.000 0.000 0.312 396 Q C -0.354 175.647 176.000 0.001 0.000 1.333 396 Q CA 0.363 56.158 55.803 -0.013 0.000 0.883 396 Q CB -1.339 27.400 28.738 0.003 0.000 1.170 396 Q HN 0.436 nan 8.270 nan 0.000 0.443 397 M N -0.466 119.135 119.600 0.002 0.000 2.247 397 M HA 0.075 4.555 4.480 -0.000 0.000 0.326 397 M C 1.415 177.720 176.300 0.008 0.000 1.134 397 M CA 0.393 55.703 55.300 0.016 0.000 1.136 397 M CB 0.906 33.522 32.600 0.028 0.000 1.454 397 M HN 0.176 nan 8.290 nan 0.000 0.467 398 K N -1.778 118.630 120.400 0.013 0.000 2.329 398 K HA 0.271 4.591 4.320 -0.000 0.000 0.198 398 K C 0.828 177.435 176.600 0.012 0.000 1.085 398 K CA 0.197 56.489 56.287 0.008 0.000 0.961 398 K CB 0.534 33.036 32.500 0.003 0.000 0.971 398 K HN 0.609 nan 8.250 nan 0.000 0.502 399 S N 2.307 118.015 115.700 0.013 0.000 2.407 399 S HA 0.414 4.884 4.470 -0.000 0.000 0.166 399 S C -2.902 171.698 174.600 -0.001 0.000 1.445 399 S CA -1.418 56.786 58.200 0.006 0.000 1.260 399 S CB 0.690 63.887 63.200 -0.005 0.000 1.401 399 S HN 0.336 nan 8.310 nan 0.000 0.379 400 P HA 0.475 nan 4.420 nan 0.000 0.272 400 P C -1.118 176.176 177.300 -0.010 0.000 1.230 400 P CA -0.340 62.766 63.100 0.010 0.000 0.788 400 P CB 0.686 32.394 31.700 0.013 0.000 0.949 401 A N 2.217 125.031 122.820 -0.011 0.000 2.335 401 A HA 0.647 4.967 4.320 -0.000 0.000 0.304 401 A C -0.463 177.123 177.584 0.004 0.000 1.118 401 A CA -0.722 51.297 52.037 -0.031 0.000 0.757 401 A CB 0.261 19.227 19.000 -0.055 0.000 1.188 401 A HN 0.417 nan 8.150 nan 0.000 0.460 402 I N 1.560 122.144 120.570 0.024 0.000 2.385 402 I HA 0.551 4.721 4.170 -0.000 0.000 0.294 402 I C 0.163 176.295 176.117 0.024 0.000 0.988 402 I CA -0.136 61.175 61.300 0.019 0.000 1.265 402 I CB 2.016 40.017 38.000 0.001 0.000 1.388 402 I HN 0.511 nan 8.210 nan 0.000 0.480 403 T N 4.330 118.897 114.554 0.021 0.000 2.952 403 T HA 0.778 5.128 4.350 -0.000 0.000 0.305 403 T C -0.957 173.754 174.700 0.018 0.000 1.064 403 T CA -0.569 61.543 62.100 0.019 0.000 1.008 403 T CB 1.953 70.832 68.868 0.018 0.000 1.078 403 T HN 0.765 nan 8.240 nan 0.000 0.459 404 A N 1.557 124.385 122.820 0.013 0.000 2.587 404 A HA 0.736 5.056 4.320 -0.000 0.000 0.293 404 A C -0.236 177.353 177.584 0.008 0.000 1.087 404 A CA -0.801 51.241 52.037 0.008 0.000 0.692 404 A CB 1.342 20.342 19.000 0.001 0.000 1.291 404 A HN 0.612 nan 8.150 nan 0.000 0.407 405 T N 1.841 116.398 114.554 0.005 0.000 3.185 405 T HA 0.456 4.806 4.350 -0.000 0.000 0.287 405 T C 0.083 174.787 174.700 0.005 0.000 1.051 405 T CA 0.650 62.753 62.100 0.005 0.000 1.051 405 T CB -1.012 67.858 68.868 0.003 0.000 1.034 405 T HN 1.258 nan 8.240 nan 0.000 0.685 406 L N 1.367 122.595 121.223 0.008 0.000 2.272 406 L HA 0.921 5.261 4.340 -0.000 0.000 0.289 406 L C 0.723 177.599 176.870 0.010 0.000 1.032 406 L CA -0.039 54.808 54.840 0.011 0.000 0.810 406 L CB -0.845 41.223 42.059 0.014 0.000 1.205 406 L HN 0.997 nan 8.230 nan 0.000 0.422 407 E N 2.056 122.262 120.200 0.011 0.000 3.063 407 E HA -0.206 4.144 4.350 -0.000 0.000 0.330 407 E C 1.842 178.446 176.600 0.007 0.000 1.434 407 E CA 2.007 58.412 56.400 0.009 0.000 1.556 407 E CB -1.781 27.924 29.700 0.009 0.000 1.827 407 E HN 2.518 nan 8.360 nan 0.000 0.526 408 G N 0.277 109.082 108.800 0.007 0.000 2.471 408 G HA2 0.464 4.424 3.960 -0.000 0.000 0.211 408 G HA3 0.464 4.424 3.960 -0.000 0.000 0.211 408 G C 1.357 176.260 174.900 0.006 0.000 1.194 408 G CA 2.360 47.464 45.100 0.006 0.000 0.816 408 G HN 1.675 nan 8.290 nan 0.000 0.545 409 K N 0.596 121.000 120.400 0.006 0.000 2.126 409 K HA 0.421 4.741 4.320 -0.000 0.000 0.257 409 K C -0.093 176.511 176.600 0.007 0.000 1.007 409 K CA -0.616 55.675 56.287 0.006 0.000 0.928 409 K CB -0.147 32.357 32.500 0.006 0.000 1.013 409 K HN 0.314 nan 8.250 nan 0.000 0.473 410 N N 0.582 119.286 118.700 0.007 0.000 2.447 410 N HA 0.404 5.144 4.740 -0.000 0.000 0.263 410 N C 0.054 175.569 175.510 0.009 0.000 1.226 410 N CA 0.604 53.659 53.050 0.008 0.000 0.906 410 N CB 0.667 39.158 38.487 0.008 0.000 1.060 410 N HN 0.797 nan 8.380 nan 0.000 0.468 411 R N 0.798 121.304 120.500 0.010 0.000 2.534 411 R HA 0.512 4.852 4.340 -0.000 0.000 0.301 411 R C -0.383 175.926 176.300 0.015 0.000 0.961 411 R CA -0.839 55.268 56.100 0.012 0.000 0.871 411 R CB 0.188 30.496 30.300 0.013 0.000 1.170 411 R HN 0.551 nan 8.270 nan 0.000 0.446 412 T N 4.682 119.246 114.554 0.016 0.000 2.776 412 T HA 0.145 4.495 4.350 -0.000 0.000 0.292 412 T C 1.405 176.127 174.700 0.038 0.000 0.921 412 T CA -0.513 61.598 62.100 0.019 0.000 1.038 412 T CB 0.241 69.113 68.868 0.007 0.000 0.910 412 T HN 0.434 nan 8.240 nan 0.000 0.536 413 L N 2.554 123.805 121.223 0.048 0.000 2.017 413 L HA 0.112 4.452 4.340 -0.000 0.000 0.208 413 L C 0.448 177.414 176.870 0.160 0.000 1.073 413 L CA 1.737 56.620 54.840 0.071 0.000 0.745 413 L CB -0.779 41.308 42.059 0.047 0.000 0.894 413 L HN 0.697 nan 8.230 nan 0.000 0.432 414 Y N -1.492 118.795 120.300 -0.023 0.000 2.474 414 Y HA 0.523 5.073 4.550 0.000 0.000 0.326 414 Y C -1.419 174.471 175.900 -0.017 0.000 1.160 414 Y CA -1.539 56.549 58.100 -0.021 0.000 1.056 414 Y CB 1.119 39.562 38.460 -0.029 0.000 1.330 414 Y HN -0.090 nan 8.280 nan 0.000 0.447 415 L N 5.154 126.061 121.223 -0.526 0.000 2.388 415 L HA 0.531 4.871 4.340 -0.000 0.000 0.264 415 L C -0.208 176.278 176.870 -0.641 0.000 0.998 415 L CA -0.227 54.352 54.840 -0.435 0.000 0.817 415 L CB 2.341 44.279 42.059 -0.202 0.000 1.338 415 L HN 0.861 nan 8.230 nan 0.000 0.414 416 Q N 0.318 119.875 119.800 -0.406 0.000 2.431 416 Q HA 0.010 4.350 4.340 -0.000 0.000 0.244 416 Q C 1.774 177.680 176.000 -0.157 0.000 0.880 416 Q CA 0.845 56.462 55.803 -0.311 0.000 0.954 416 Q CB 0.771 29.385 28.738 -0.207 0.000 1.105 416 Q HN 0.897 nan 8.270 nan 0.000 0.558 417 S N 1.105 116.734 115.700 -0.118 0.000 2.368 417 S HA -0.075 4.395 4.470 -0.000 0.000 0.225 417 S C 1.178 175.742 174.600 -0.060 0.000 1.030 417 S CA 0.859 59.017 58.200 -0.069 0.000 0.999 417 S CB -0.722 62.450 63.200 -0.047 0.000 0.844 417 S HN 0.210 nan 8.310 nan 0.000 0.459 418 V N 0.033 119.906 119.914 -0.068 0.000 2.333 418 V HA 0.535 4.655 4.120 -0.000 0.000 0.274 418 V C 1.191 177.253 176.094 -0.054 0.000 1.028 418 V CA 0.002 62.272 62.300 -0.051 0.000 0.851 418 V CB 0.398 32.197 31.823 -0.041 0.000 1.000 418 V HN 0.332 nan 8.190 nan 0.000 0.456 419 T N 3.112 117.643 114.554 -0.039 0.000 2.897 419 T HA -0.208 4.142 4.350 -0.000 0.000 0.271 419 T C 1.962 176.650 174.700 -0.020 0.000 1.084 419 T CA 2.415 64.498 62.100 -0.029 0.000 1.123 419 T CB -0.072 68.787 68.868 -0.016 0.000 0.865 419 T HN 1.016 nan 8.240 nan 0.000 0.496 420 S N 0.121 115.809 115.700 -0.020 0.000 2.359 420 S HA -0.150 4.320 4.470 -0.000 0.000 0.223 420 S C 2.257 176.848 174.600 -0.014 0.000 1.039 420 S CA 2.083 60.275 58.200 -0.014 0.000 1.042 420 S CB -0.733 62.458 63.200 -0.015 0.000 0.915 420 S HN 0.663 nan 8.310 nan 0.000 0.439 421 I N 0.867 121.419 120.570 -0.030 0.000 2.716 421 I HA 0.419 4.589 4.170 -0.000 0.000 0.259 421 I C 2.195 178.284 176.117 -0.046 0.000 1.172 421 I CA 1.667 62.946 61.300 -0.034 0.000 1.478 421 I CB -2.079 35.890 38.000 -0.051 0.000 1.104 421 I HN 0.702 nan 8.210 nan 0.000 0.439 422 E N 0.383 120.535 120.200 -0.079 0.000 2.357 422 E HA 0.099 4.449 4.350 -0.000 0.000 0.194 422 E C 1.361 177.997 176.600 0.060 0.000 1.177 422 E CA 0.867 57.219 56.400 -0.081 0.000 0.998 422 E CB -0.840 28.786 29.700 -0.123 0.000 1.106 422 E HN 0.899 nan 8.360 nan 0.000 0.470 423 E N -1.753 118.480 120.200 0.054 0.000 2.783 423 E HA 0.013 4.363 4.350 -0.000 0.000 0.205 423 E C 2.135 178.768 176.600 0.055 0.000 0.955 423 E CA 0.254 56.689 56.400 0.058 0.000 1.594 423 E CB 0.624 30.342 29.700 0.030 0.000 1.686 423 E HN 0.251 nan 8.360 nan 0.000 0.902 424 R N 1.024 121.549 120.500 0.041 0.000 2.189 424 R HA -0.061 4.279 4.340 -0.000 0.000 0.223 424 R C 2.154 178.488 176.300 0.057 0.000 1.092 424 R CA 2.137 58.260 56.100 0.037 0.000 0.989 424 R CB -0.903 29.410 30.300 0.023 0.000 0.876 424 R HN 0.442 nan 8.270 nan 0.000 0.457 425 T N -3.609 111.005 114.554 0.099 0.000 3.001 425 T HA 0.234 4.584 4.350 -0.000 0.000 0.251 425 T C 1.918 176.730 174.700 0.187 0.000 1.040 425 T CA 0.199 62.390 62.100 0.152 0.000 0.985 425 T CB -0.291 68.704 68.868 0.212 0.000 1.011 425 T HN 0.306 nan 8.240 nan 0.000 0.509 426 R N 1.840 122.456 120.500 0.192 0.000 2.119 426 R HA -0.085 4.255 4.340 -0.000 0.000 0.246 426 R C -0.803 175.472 176.300 -0.041 0.000 1.146 426 R CA 2.025 58.189 56.100 0.107 0.000 0.962 426 R CB -1.311 29.057 30.300 0.114 0.000 0.863 426 R HN 0.344 nan 8.270 nan 0.000 0.442 427 P HA -0.161 nan 4.420 nan 0.000 0.217 427 P C 0.339 177.603 177.300 -0.060 0.000 1.158 427 P CA 1.559 64.640 63.100 -0.032 0.000 0.887 427 P CB -0.416 31.279 31.700 -0.008 0.000 0.792 428 N N -0.644 118.027 118.700 -0.049 0.000 2.503 428 N HA -0.126 4.614 4.740 -0.000 0.000 0.189 428 N C 1.284 176.719 175.510 -0.125 0.000 1.048 428 N CA 0.618 53.631 53.050 -0.061 0.000 0.905 428 N CB -1.075 37.404 38.487 -0.015 0.000 0.951 428 N HN 0.257 nan 8.380 nan 0.000 0.446 429 L N -0.559 120.541 121.223 -0.205 0.000 2.711 429 L HA 0.039 4.379 4.340 -0.000 0.000 0.242 429 L C -0.185 176.598 176.870 -0.144 0.000 1.153 429 L CA 0.334 55.027 54.840 -0.244 0.000 0.898 429 L CB -0.265 41.587 42.059 -0.345 0.000 1.044 429 L HN -0.050 nan 8.230 nan 0.000 0.437 430 S N -0.110 115.528 115.700 -0.102 0.000 2.647 430 S HA 0.813 5.283 4.470 -0.000 0.000 0.300 430 S C -0.079 174.488 174.600 -0.055 0.000 1.129 430 S CA -0.638 57.520 58.200 -0.070 0.000 1.029 430 S CB 1.927 65.094 63.200 -0.055 0.000 1.007 430 S HN 0.265 nan 8.310 nan 0.000 0.484 434 K N 1.316 121.700 120.400 -0.026 0.000 2.057 434 K HA 0.014 4.334 4.320 -0.000 0.000 0.206 434 K C 1.927 178.520 176.600 -0.012 0.000 1.050 434 K CA 2.074 58.333 56.287 -0.047 0.000 0.935 434 K CB -1.349 31.040 32.500 -0.184 0.000 0.715 434 K HN 0.462 nan 8.250 nan 0.000 0.439 435 E N 0.971 121.155 120.200 -0.026 0.000 2.209 435 E HA -0.042 4.308 4.350 -0.000 0.000 0.196 435 E C 2.048 178.647 176.600 -0.001 0.000 0.993 435 E CA 1.398 57.788 56.400 -0.017 0.000 0.819 435 E CB -0.690 28.995 29.700 -0.025 0.000 0.745 435 E HN 0.588 nan 8.360 nan 0.000 0.477 436 L N -1.695 119.534 121.223 0.009 0.000 2.240 436 L HA 0.256 4.596 4.340 -0.000 0.000 0.211 436 L C 2.184 179.070 176.870 0.028 0.000 1.106 436 L CA 0.826 55.676 54.840 0.016 0.000 0.793 436 L CB 0.367 42.435 42.059 0.014 0.000 0.927 436 L HN 0.584 nan 8.230 nan 0.000 0.446 437 G N -0.375 108.452 108.800 0.045 0.000 2.159 437 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.170 437 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.170 437 G C 0.028 174.973 174.900 0.074 0.000 1.007 437 G CA -0.590 44.540 45.100 0.050 0.000 0.672 437 G HN 0.104 nan 8.290 nan 0.000 0.507 438 L N 0.957 122.250 121.223 0.116 0.000 2.350 438 L HA 0.687 5.027 4.340 -0.000 0.000 0.275 438 L C 0.498 177.511 176.870 0.239 0.000 1.099 438 L CA -1.052 53.862 54.840 0.123 0.000 0.808 438 L CB 1.596 43.712 42.059 0.094 0.000 1.149 438 L HN -0.054 nan 8.230 nan 0.000 0.442 439 V N 0.807 120.775 119.914 0.090 0.000 2.715 439 V HA 0.151 4.271 4.120 -0.000 0.000 0.310 439 V C -0.244 175.736 176.094 -0.191 0.000 1.054 439 V CA -0.904 61.468 62.300 0.120 0.000 0.928 439 V CB 1.947 33.811 31.823 0.069 0.000 1.007 439 V HN 0.761 nan 8.190 nan 0.000 0.437 440 D N 2.457 122.747 120.400 -0.184 0.000 2.583 440 D HA 0.337 4.977 4.640 -0.000 0.000 0.232 440 D C 1.171 177.351 176.300 -0.200 0.000 1.128 440 D CA 2.097 55.903 54.000 -0.324 0.000 0.859 440 D CB 0.458 41.276 40.800 0.030 0.000 1.169 440 D HN 1.020 nan 8.370 nan 0.000 0.481 441 G N 2.624 111.249 108.800 -0.292 0.000 2.279 441 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.223 441 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.223 441 G C 0.392 175.171 174.900 -0.202 0.000 1.015 441 G CA 0.164 45.133 45.100 -0.218 0.000 0.621 441 G HN 0.723 nan 8.290 nan 0.000 0.506 442 Q N 1.683 121.364 119.800 -0.199 0.000 2.395 442 Q HA 0.429 4.769 4.340 -0.000 0.000 0.271 442 Q C 0.542 176.469 176.000 -0.123 0.000 1.026 442 Q CA 0.545 56.268 55.803 -0.133 0.000 0.900 442 Q CB 0.226 28.896 28.738 -0.113 0.000 1.266 442 Q HN 0.695 nan 8.270 nan 0.000 0.430 443 E N 2.719 122.881 120.200 -0.064 0.000 2.191 443 E HA 0.472 4.822 4.350 -0.000 0.000 0.278 443 E C -1.355 175.251 176.600 0.009 0.000 0.972 443 E CA -0.712 55.675 56.400 -0.021 0.000 0.804 443 E CB 0.958 30.652 29.700 -0.011 0.000 1.110 443 E HN 0.325 nan 8.360 nan 0.000 0.394 444 L N 1.986 123.243 121.223 0.058 0.000 2.325 444 L HA 0.606 4.946 4.340 -0.000 0.000 0.278 444 L C -0.205 176.737 176.870 0.120 0.000 1.023 444 L CA -1.002 53.876 54.840 0.064 0.000 0.811 444 L CB 1.851 43.930 42.059 0.033 0.000 1.249 444 L HN 0.737 nan 8.230 nan 0.000 0.431 445 A N 2.833 125.702 122.820 0.082 0.000 2.269 445 A HA 0.693 5.013 4.320 -0.000 0.000 0.302 445 A C -0.413 177.231 177.584 0.100 0.000 1.266 445 A CA -0.433 51.658 52.037 0.089 0.000 0.894 445 A CB 0.334 19.363 19.000 0.048 0.000 1.147 445 A HN 0.454 nan 8.150 nan 0.000 0.537 446 V N 2.180 122.191 119.914 0.162 0.000 2.459 446 V HA 0.719 4.839 4.120 -0.000 0.000 0.295 446 V C 0.474 176.630 176.094 0.104 0.000 1.029 446 V CA -0.096 62.288 62.300 0.141 0.000 0.874 446 V CB 1.339 33.301 31.823 0.231 0.000 0.985 446 V HN 1.145 nan 8.190 nan 0.000 0.438 447 A N 3.565 126.421 122.820 0.059 0.000 2.401 447 A HA 0.909 5.229 4.320 -0.000 0.000 0.310 447 A C -1.121 176.484 177.584 0.035 0.000 1.075 447 A CA -0.459 51.602 52.037 0.040 0.000 0.746 447 A CB 1.914 20.927 19.000 0.023 0.000 1.277 447 A HN 0.830 nan 8.150 nan 0.000 0.425 448 D N -0.459 119.964 120.400 0.038 0.000 2.648 448 D HA 0.338 4.978 4.640 -0.000 0.000 0.244 448 D C 0.735 177.075 176.300 0.066 0.000 1.244 448 D CA 0.221 54.246 54.000 0.042 0.000 0.772 448 D CB 1.644 42.472 40.800 0.047 0.000 1.379 448 D HN 0.697 nan 8.370 nan 0.000 0.428 449 V N 0.110 120.069 119.914 0.075 0.000 2.759 449 V HA -0.058 4.062 4.120 -0.000 0.000 0.256 449 V C 1.892 178.107 176.094 0.202 0.000 1.080 449 V CA 2.133 64.510 62.300 0.128 0.000 1.101 449 V CB -1.701 30.168 31.823 0.077 0.000 0.698 449 V HN 0.769 nan 8.190 nan 0.000 0.477 450 T N -2.697 111.934 114.554 0.130 0.000 3.025 450 T HA 0.007 4.357 4.350 -0.000 0.000 0.270 450 T C 0.828 175.607 174.700 0.131 0.000 1.126 450 T CA 1.395 63.575 62.100 0.132 0.000 1.105 450 T CB -0.522 68.386 68.868 0.066 0.000 0.884 450 T HN 0.766 nan 8.240 nan 0.000 0.522 451 T N 0.995 115.582 114.554 0.055 0.000 3.047 451 T HA 0.426 4.776 4.350 -0.000 0.000 0.340 451 T C -2.797 171.714 174.700 -0.315 0.000 1.421 451 T CA -1.232 60.746 62.100 -0.203 0.000 1.090 451 T CB 2.187 70.975 68.868 -0.132 0.000 1.292 451 T HN -0.194 nan 8.240 nan 0.000 0.480 452 P HA 0.133 nan 4.420 nan 0.000 0.249 452 P C 0.140 177.294 177.300 -0.243 0.000 1.229 452 P CA 0.124 62.955 63.100 -0.449 0.000 0.788 452 P CB 0.324 31.550 31.700 -0.789 0.000 1.072 453 Q N 0.000 119.670 119.800 -0.216 0.000 2.306 453 Q HA 0.241 4.581 4.340 -0.000 0.000 0.241 453 Q C -0.125 175.839 176.000 -0.060 0.000 0.948 453 Q CA 0.156 55.884 55.803 -0.124 0.000 0.886 453 Q CB 0.633 29.302 28.738 -0.115 0.000 1.227 453 Q HN -0.059 nan 8.270 nan 0.000 0.457 454 T N 1.979 116.513 114.554 -0.034 0.000 2.727 454 T HA 0.244 4.594 4.350 -0.000 0.000 0.298 454 T C -0.189 174.513 174.700 0.003 0.000 0.942 454 T CA -0.485 61.616 62.100 0.000 0.000 0.997 454 T CB 0.242 69.114 68.868 0.006 0.000 0.917 454 T HN 0.246 nan 8.240 nan 0.000 0.487 455 V N 5.786 125.721 119.914 0.035 0.000 2.488 455 V HA 0.312 4.432 4.120 -0.000 0.000 0.277 455 V C 0.287 176.403 176.094 0.036 0.000 1.046 455 V CA -0.707 61.597 62.300 0.007 0.000 0.986 455 V CB 0.372 32.239 31.823 0.074 0.000 0.989 455 V HN 0.720 nan 8.190 nan 0.000 0.475 456 L N 5.622 126.786 121.223 -0.098 0.000 2.272 456 L HA 0.568 4.908 4.340 -0.000 0.000 0.289 456 L C -0.747 176.008 176.870 -0.193 0.000 1.032 456 L CA -0.057 54.757 54.840 -0.044 0.000 0.810 456 L CB 0.970 43.003 42.059 -0.045 0.000 1.205 456 L HN 0.470 nan 8.230 nan 0.000 0.422 457 F N 2.388 122.348 119.950 0.016 0.000 2.469 457 F HA 0.448 4.975 4.527 0.000 0.000 0.332 457 F C 0.336 176.125 175.800 -0.018 0.000 1.103 457 F CA -0.725 57.293 58.000 0.030 0.000 0.979 457 F CB 1.699 40.740 39.000 0.068 0.000 1.137 457 F HN 0.278 nan 8.300 nan 0.000 0.463 458 K N 3.421 123.890 120.400 0.114 0.000 2.240 458 K HA 0.426 4.746 4.320 -0.000 0.000 0.271 458 K C -1.208 175.278 176.600 -0.190 0.000 1.018 458 K CA -0.897 55.352 56.287 -0.064 0.000 0.874 458 K CB 1.260 33.698 32.500 -0.104 0.000 1.098 458 K HN 0.556 nan 8.250 nan 0.000 0.458 459 L N 5.105 126.166 121.223 -0.270 0.000 2.349 459 L HA 0.212 4.552 4.340 -0.000 0.000 0.275 459 L C -0.868 175.655 176.870 -0.578 0.000 1.115 459 L CA 0.287 54.944 54.840 -0.305 0.000 0.820 459 L CB 0.502 42.372 42.059 -0.315 0.000 1.135 459 L HN 0.591 nan 8.230 nan 0.000 0.445 460 H N 5.523 124.517 119.070 -0.127 0.000 2.727 460 H HA 0.311 4.867 4.556 -0.000 0.000 0.330 460 H C -0.854 174.465 175.328 -0.015 0.000 0.986 460 H CA -0.555 55.433 56.048 -0.101 0.000 1.251 460 H CB 0.914 30.659 29.762 -0.028 0.000 1.493 460 H HN 0.387 nan 8.280 nan 0.000 0.515 461 F N 1.934 121.968 119.950 0.140 0.000 2.382 461 F HA 0.281 4.808 4.527 0.000 0.000 0.331 461 F C 1.436 177.281 175.800 0.074 0.000 1.121 461 F CA -0.333 57.726 58.000 0.098 0.000 1.183 461 F CB 1.286 40.326 39.000 0.066 0.000 1.207 461 F HN 0.448 nan 8.300 nan 0.000 0.555 462 T N 0.000 114.720 114.554 0.276 0.000 3.816 462 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 462 T CA 0.000 62.177 62.100 0.128 0.000 1.349 462 T CB 0.000 68.918 68.868 0.084 0.000 0.612 462 T HN 0.000 nan 8.240 nan 0.000 0.658