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 2uzx_1_D DATA FIRST_RESID 42 DATA SEQUENCE QLPNFTAETP IQNVILHEHH IFLGATNYIY VLNEEDLQKV AEYKTGPVLE DATA SEQUENCE XXXXXXXXXX XXXXXXXXXV WKDNINMALV VDTYYDDQLI ScGSVNRGTc DATA SEQUENCE QRHVFPHNHX XXXXSEVHCI FSXXXXEPSQ CPDCVVSALG AKVLSSVKDR DATA SEQUENCE FINFFVGNTI NSSYXXXXPL HSISVRRLKE TKDGFMFLTD QSYIDVLPEF DATA SEQUENCE RDSYPIKYVH AFESNNFIYF LTVQRETLDA QTFHTRIIRF CSINSGLHSY DATA SEQUENCE MEMPLEcILT XXXXXXXXXK EVFNILQAAY VSKPGAQLAR QIGASLNDDI DATA SEQUENCE LFAVFAQSKP DSAEPMDRSA McAFPIKYVN DFFNKIXXXX NVRCLQHFYG DATA SEQUENCE PNXXXXXXXX XXXXXXXXXX XXDEYRTEFT TALQRVDLFM GQFSEVLLTS DATA SEQUENCE ISTFIKGDLT IANLGTSEGR FMQVVVSRSG PSTPHVNFLL DSHPVSPEVI DATA SEQUENCE VEHTLNQNGY TLVITGKKIT KIPLNGLGcR HFQScSQcLS APPFVQcGWc DATA SEQUENCE HDKcVRSEEc LSGTWTQQIc LPAIYKVFPN SAPLEGGTRL TICGWDFGFR DATA SEQUENCE RNNKFDLKKT RVLLGNEScT LTLSESTMNT LKcTVGPXXX XXFNMSIIIS DATA SEQUENCE NGHGTTQYST FSYVDPV 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 42 Q HA 0.000 nan 4.340 nan 0.000 0.214 42 Q C 0.000 175.959 176.000 -0.068 0.000 1.003 42 Q CA 0.000 55.764 55.803 -0.064 0.000 1.022 42 Q CB 0.000 28.684 28.738 -0.090 0.000 1.108 43 L N 0.128 121.308 121.223 -0.072 0.000 2.358 43 L HA 0.890 5.231 4.340 0.001 0.000 0.268 43 L C -2.307 174.523 176.870 -0.066 0.000 1.032 43 L CA -2.414 52.380 54.840 -0.076 0.000 0.805 43 L CB 0.310 42.314 42.059 -0.092 0.000 1.253 43 L HN -0.150 nan 8.230 nan 0.000 0.452 44 P HA 0.126 nan 4.420 nan 0.000 0.265 44 P C -1.311 175.960 177.300 -0.049 0.000 1.193 44 P CA 0.093 63.151 63.100 -0.068 0.000 0.765 44 P CB 0.245 31.883 31.700 -0.104 0.000 0.823 45 N N 2.045 120.734 118.700 -0.018 0.000 2.405 45 N HA 0.393 5.134 4.740 0.001 0.000 0.274 45 N C -2.004 173.543 175.510 0.061 0.000 1.170 45 N CA -0.664 52.389 53.050 0.004 0.000 0.848 45 N CB 1.636 40.109 38.487 -0.024 0.000 1.629 45 N HN 0.212 nan 8.380 nan 0.000 0.481 46 F N 1.129 121.019 119.950 -0.100 0.000 2.518 46 F HA 0.487 5.014 4.527 0.001 0.000 0.323 46 F C -0.978 174.733 175.800 -0.148 0.000 1.129 46 F CA -0.084 57.842 58.000 -0.125 0.000 0.920 46 F CB 1.983 40.902 39.000 -0.136 0.000 1.160 46 F HN 0.435 nan 8.300 nan 0.000 0.440 47 T N 5.738 119.752 114.554 -0.900 0.000 2.794 47 T HA 0.771 5.121 4.350 0.001 0.000 0.280 47 T C -0.022 174.023 174.700 -1.091 0.000 0.987 47 T CA -0.412 61.247 62.100 -0.736 0.000 0.993 47 T CB 1.371 69.978 68.868 -0.436 0.000 0.939 47 T HN 0.773 nan 8.240 nan 0.000 0.449 48 A N 1.918 124.332 122.820 -0.676 0.000 2.263 48 A HA 0.553 4.874 4.320 0.001 0.000 0.318 48 A C 1.109 178.518 177.584 -0.292 0.000 1.111 48 A CA -0.631 51.053 52.037 -0.590 0.000 0.901 48 A CB 0.566 19.303 19.000 -0.439 0.000 1.280 48 A HN 0.872 nan 8.150 nan 0.000 0.503 49 E N -0.834 119.287 120.200 -0.132 0.000 2.285 49 E HA 0.026 4.377 4.350 0.001 0.000 0.194 49 E C 0.013 176.628 176.600 0.024 0.000 0.997 49 E CA 1.347 57.717 56.400 -0.050 0.000 0.845 49 E CB 0.076 29.750 29.700 -0.043 0.000 0.782 49 E HN 0.793 nan 8.360 nan 0.000 0.491 50 T N -2.090 112.514 114.554 0.082 0.000 2.821 50 T HA 0.334 4.685 4.350 0.001 0.000 0.306 50 T C -3.001 171.752 174.700 0.088 0.000 1.313 50 T CA -2.137 60.023 62.100 0.100 0.000 1.012 50 T CB 1.554 70.527 68.868 0.175 0.000 1.298 50 T HN -0.333 nan 8.240 nan 0.000 0.502 51 P HA 0.106 nan 4.420 nan 0.000 0.263 51 P C -0.410 176.948 177.300 0.096 0.000 1.168 51 P CA -0.088 63.037 63.100 0.042 0.000 0.759 51 P CB 0.139 31.872 31.700 0.055 0.000 0.782 52 I N 3.609 124.223 120.570 0.073 0.000 2.315 52 I HA 0.162 4.333 4.170 0.001 0.000 0.291 52 I C 1.197 177.384 176.117 0.117 0.000 1.006 52 I CA -0.102 61.271 61.300 0.122 0.000 1.265 52 I CB 1.046 39.108 38.000 0.104 0.000 1.387 52 I HN 0.401 nan 8.210 nan 0.000 0.475 53 Q N 3.553 123.436 119.800 0.139 0.000 2.324 53 Q HA 0.222 4.562 4.340 0.001 0.000 0.207 53 Q C -0.013 176.067 176.000 0.134 0.000 0.928 53 Q CA 0.921 56.801 55.803 0.129 0.000 0.890 53 Q CB 0.527 29.340 28.738 0.125 0.000 1.001 53 Q HN 0.594 nan 8.270 nan 0.000 0.517 54 N N -0.774 118.014 118.700 0.147 0.000 2.329 54 N HA 0.468 5.208 4.740 0.001 0.000 0.282 54 N C -1.696 173.913 175.510 0.166 0.000 1.198 54 N CA -0.342 52.796 53.050 0.147 0.000 0.790 54 N CB 2.863 41.429 38.487 0.132 0.000 1.579 54 N HN -0.225 nan 8.380 nan 0.000 0.475 55 V N 2.331 122.343 119.914 0.163 0.000 2.569 55 V HA 0.535 4.656 4.120 0.001 0.000 0.301 55 V C -0.160 176.044 176.094 0.185 0.000 1.044 55 V CA -0.756 61.653 62.300 0.181 0.000 0.874 55 V CB 1.794 33.714 31.823 0.163 0.000 1.002 55 V HN 0.604 nan 8.190 nan 0.000 0.424 56 I N 2.907 123.612 120.570 0.225 0.000 2.846 56 I HA 0.846 5.016 4.170 0.001 0.000 0.307 56 I C -1.246 175.047 176.117 0.294 0.000 1.053 56 I CA -1.166 60.265 61.300 0.218 0.000 1.050 56 I CB 2.248 40.345 38.000 0.161 0.000 1.239 56 I HN 0.545 nan 8.210 nan 0.000 0.439 57 L N 3.744 125.123 121.223 0.260 0.000 2.346 57 L HA 0.627 4.968 4.340 0.001 0.000 0.276 57 L C -1.330 175.733 176.870 0.321 0.000 1.006 57 L CA -0.028 54.981 54.840 0.282 0.000 0.817 57 L CB 1.488 43.670 42.059 0.205 0.000 1.272 57 L HN 0.834 nan 8.230 nan 0.000 0.421 58 H N 3.578 122.793 119.070 0.241 0.000 3.224 58 H HA 0.370 4.927 4.556 0.001 0.000 0.331 58 H C -1.095 174.307 175.328 0.124 0.000 1.002 58 H CA -0.337 55.810 56.048 0.166 0.000 1.473 58 H CB 0.819 30.683 29.762 0.170 0.000 1.830 58 H HN 0.688 nan 8.280 nan 0.000 0.485 59 E N 5.638 125.572 120.200 -0.443 0.000 2.202 59 E HA -0.278 4.072 4.350 0.001 0.000 0.169 59 E C -0.094 176.309 176.600 -0.329 0.000 1.536 59 E CA 1.516 57.581 56.400 -0.558 0.000 0.664 59 E CB -1.398 27.960 29.700 -0.570 0.000 1.064 59 E HN 0.966 nan 8.360 nan 0.000 0.327 60 H N -2.684 116.361 119.070 -0.041 0.000 3.641 60 H HA -0.189 4.367 4.556 0.001 0.000 0.193 60 H C 0.142 175.306 175.328 -0.273 0.000 1.013 60 H CA 1.669 57.636 56.048 -0.135 0.000 1.212 60 H CB -1.376 28.265 29.762 -0.202 0.000 1.089 60 H HN 0.580 nan 8.280 nan 0.000 0.339 61 H N 0.186 119.296 119.070 0.067 0.000 2.489 61 H HA 0.361 4.918 4.556 0.001 0.000 0.343 61 H C 0.751 176.068 175.328 -0.018 0.000 1.086 61 H CA -0.714 55.313 56.048 -0.036 0.000 1.198 61 H CB 1.514 31.215 29.762 -0.101 0.000 1.490 61 H HN -0.016 nan 8.280 nan 0.000 0.504 62 I N 3.745 124.292 120.570 -0.039 0.000 2.396 62 I HA 0.151 4.322 4.170 0.001 0.000 0.292 62 I C -0.074 175.934 176.117 -0.181 0.000 0.999 62 I CA -0.212 61.089 61.300 0.001 0.000 1.310 62 I CB 0.242 38.222 38.000 -0.033 0.000 1.404 62 I HN 0.345 nan 8.210 nan 0.000 0.496 63 F N 5.812 125.832 119.950 0.117 0.000 2.467 63 F HA 0.494 5.021 4.527 0.001 0.000 0.336 63 F C -0.023 175.852 175.800 0.126 0.000 1.123 63 F CA -0.571 57.499 58.000 0.116 0.000 0.964 63 F CB 1.503 40.571 39.000 0.113 0.000 1.136 63 F HN 0.114 nan 8.300 nan 0.000 0.447 64 L N 3.072 124.469 121.223 0.290 0.000 2.307 64 L HA 0.638 4.978 4.340 0.001 0.000 0.284 64 L C 0.443 177.490 176.870 0.296 0.000 1.023 64 L CA -0.908 54.106 54.840 0.291 0.000 0.810 64 L CB 1.624 43.887 42.059 0.340 0.000 1.231 64 L HN 0.766 nan 8.230 nan 0.000 0.423 65 G N 2.121 111.068 108.800 0.244 0.000 2.607 65 G HA2 0.613 4.574 3.960 0.001 0.000 0.332 65 G HA3 0.613 4.574 3.960 0.001 0.000 0.332 65 G C -0.283 174.748 174.900 0.219 0.000 1.046 65 G CA -0.091 45.133 45.100 0.206 0.000 1.099 65 G HN 0.724 nan 8.290 nan 0.000 0.451 66 A N 2.336 125.311 122.820 0.258 0.000 2.346 66 A HA 0.851 5.172 4.320 0.001 0.000 0.313 66 A C 0.505 178.220 177.584 0.218 0.000 1.140 66 A CA -0.613 51.591 52.037 0.279 0.000 0.826 66 A CB 0.943 20.224 19.000 0.468 0.000 1.332 66 A HN 0.463 nan 8.150 nan 0.000 0.457 67 T N 2.738 117.412 114.554 0.200 0.000 2.761 67 T HA 0.246 4.597 4.350 0.001 0.000 0.287 67 T C 0.285 175.074 174.700 0.148 0.000 0.931 67 T CA 0.762 62.950 62.100 0.147 0.000 1.164 67 T CB -0.425 68.517 68.868 0.123 0.000 0.876 67 T HN 0.702 nan 8.240 nan 0.000 0.534 68 N N 0.838 119.565 118.700 0.045 0.000 2.984 68 N HA -0.167 4.573 4.740 0.001 0.000 0.227 68 N C -0.831 174.431 175.510 -0.414 0.000 0.903 68 N CA 1.339 54.300 53.050 -0.148 0.000 0.995 68 N CB -1.318 37.063 38.487 -0.176 0.000 1.065 68 N HN 0.718 nan 8.380 nan 0.000 0.585 69 Y N -0.278 120.011 120.300 -0.018 0.000 2.588 69 Y HA 0.698 5.249 4.550 0.001 0.000 0.343 69 Y C -0.086 175.701 175.900 -0.188 0.000 1.065 69 Y CA -0.838 57.148 58.100 -0.190 0.000 1.038 69 Y CB 1.765 39.948 38.460 -0.461 0.000 1.297 69 Y HN -0.163 nan 8.280 nan 0.000 0.467 70 I N 2.850 123.382 120.570 -0.063 0.000 2.439 70 I HA 0.295 4.465 4.170 0.001 0.000 0.283 70 I C -1.407 174.652 176.117 -0.097 0.000 1.023 70 I CA -0.722 60.576 61.300 -0.003 0.000 1.100 70 I CB 1.102 39.143 38.000 0.068 0.000 1.238 70 I HN 0.504 nan 8.210 nan 0.000 0.445 71 Y N 5.032 125.430 120.300 0.164 0.000 2.352 71 Y HA 0.486 5.037 4.550 0.001 0.000 0.326 71 Y C 0.287 176.135 175.900 -0.088 0.000 1.166 71 Y CA -0.825 57.303 58.100 0.047 0.000 1.182 71 Y CB 1.641 40.111 38.460 0.016 0.000 1.216 71 Y HN 0.150 nan 8.280 nan 0.000 0.474 72 V N 5.075 124.962 119.914 -0.045 0.000 2.320 72 V HA 0.251 4.371 4.120 0.001 0.000 0.268 72 V C -0.174 175.767 176.094 -0.255 0.000 1.021 72 V CA -0.681 61.424 62.300 -0.324 0.000 0.813 72 V CB -0.141 31.462 31.823 -0.366 0.000 1.054 72 V HN 0.618 nan 8.190 nan 0.000 0.444 73 L N 2.236 123.277 121.223 -0.303 0.000 2.479 73 L HA 0.532 4.873 4.340 0.001 0.000 0.249 73 L C 0.463 177.218 176.870 -0.192 0.000 1.178 73 L CA -0.397 54.252 54.840 -0.319 0.000 0.811 73 L CB 0.607 42.416 42.059 -0.417 0.000 1.187 73 L HN 0.443 nan 8.230 nan 0.000 0.480 74 N N 0.382 118.970 118.700 -0.187 0.000 2.476 74 N HA 0.045 4.786 4.740 0.001 0.000 0.257 74 N C 0.598 175.992 175.510 -0.193 0.000 0.970 74 N CA -0.169 52.765 53.050 -0.194 0.000 0.938 74 N CB 1.302 39.693 38.487 -0.161 0.000 1.144 74 N HN 0.660 nan 8.380 nan 0.000 0.500 75 E N 2.589 122.679 120.200 -0.184 0.000 2.164 75 E HA -0.338 4.013 4.350 0.001 0.000 0.206 75 E C 0.769 177.241 176.600 -0.214 0.000 1.032 75 E CA 1.757 58.071 56.400 -0.145 0.000 0.832 75 E CB 0.165 29.837 29.700 -0.045 0.000 0.742 75 E HN 0.759 nan 8.360 nan 0.000 0.460 76 E N -0.016 120.064 120.200 -0.199 0.000 2.058 76 E HA -0.207 4.143 4.350 0.001 0.000 0.194 76 E C 0.657 177.144 176.600 -0.189 0.000 0.997 76 E CA 1.741 58.024 56.400 -0.196 0.000 0.801 76 E CB 0.115 29.714 29.700 -0.167 0.000 0.746 76 E HN 0.472 nan 8.360 nan 0.000 0.450 77 D N -1.646 118.659 120.400 -0.159 0.000 2.620 77 D HA 0.070 4.711 4.640 0.001 0.000 0.260 77 D C 0.345 176.579 176.300 -0.110 0.000 1.367 77 D CA -0.223 53.700 54.000 -0.128 0.000 0.805 77 D CB -0.350 40.393 40.800 -0.094 0.000 1.096 77 D HN 0.195 nan 8.370 nan 0.000 0.488 78 L N -0.556 120.584 121.223 -0.140 0.000 3.976 78 L HA -0.291 4.049 4.340 0.001 0.000 0.418 78 L C 0.117 176.897 176.870 -0.150 0.000 1.177 78 L CA 0.465 55.222 54.840 -0.139 0.000 0.968 78 L CB -1.525 40.491 42.059 -0.071 0.000 1.933 78 L HN 0.271 nan 8.230 nan 0.000 0.976 79 Q N 1.798 121.521 119.800 -0.128 0.000 2.314 79 Q HA 0.221 4.561 4.340 0.001 0.000 0.258 79 Q C 0.321 176.219 176.000 -0.170 0.000 0.954 79 Q CA 0.116 55.863 55.803 -0.094 0.000 0.890 79 Q CB 1.014 29.718 28.738 -0.056 0.000 1.210 79 Q HN 0.164 nan 8.270 nan 0.000 0.410 80 K N 3.689 123.996 120.400 -0.155 0.000 2.349 80 K HA 0.123 4.443 4.320 0.001 0.000 0.289 80 K C -0.415 176.155 176.600 -0.050 0.000 1.064 80 K CA -0.152 56.021 56.287 -0.190 0.000 0.947 80 K CB 0.351 32.827 32.500 -0.040 0.000 1.007 80 K HN 0.664 nan 8.250 nan 0.000 0.478 81 V N 3.174 123.057 119.914 -0.050 0.000 2.922 81 V HA 0.214 4.335 4.120 0.001 0.000 0.242 81 V C 0.347 176.461 176.094 0.035 0.000 1.094 81 V CA 1.034 63.341 62.300 0.011 0.000 1.106 81 V CB 0.558 32.407 31.823 0.043 0.000 0.799 81 V HN 0.895 nan 8.190 nan 0.000 0.474 82 A N 0.332 123.166 122.820 0.024 0.000 2.602 82 A HA 0.834 5.155 4.320 0.001 0.000 0.290 82 A C -1.202 176.433 177.584 0.084 0.000 1.114 82 A CA -0.447 51.626 52.037 0.060 0.000 0.683 82 A CB 1.777 20.812 19.000 0.060 0.000 1.281 82 A HN 0.379 nan 8.150 nan 0.000 0.416 83 E N -0.934 119.336 120.200 0.116 0.000 2.437 83 E HA 0.640 4.990 4.350 0.001 0.000 0.280 83 E C -1.980 174.740 176.600 0.201 0.000 1.044 83 E CA -0.729 55.734 56.400 0.106 0.000 0.826 83 E CB 1.675 31.415 29.700 0.067 0.000 1.358 83 E HN 0.817 nan 8.360 nan 0.000 0.459 84 Y N 0.693 121.011 120.300 0.031 0.000 2.362 84 Y HA 0.314 4.865 4.550 0.001 0.000 0.326 84 Y C -1.189 174.723 175.900 0.019 0.000 1.083 84 Y CA -0.884 57.253 58.100 0.063 0.000 1.073 84 Y CB 2.086 40.599 38.460 0.089 0.000 1.211 84 Y HN 0.624 nan 8.280 nan 0.000 0.433 85 K N 3.910 124.126 120.400 -0.307 0.000 2.167 85 K HA 0.101 4.422 4.320 0.001 0.000 0.275 85 K C 0.714 177.109 176.600 -0.343 0.000 1.103 85 K CA 0.508 56.502 56.287 -0.489 0.000 0.963 85 K CB 0.351 32.580 32.500 -0.452 0.000 1.243 85 K HN 0.841 nan 8.250 nan 0.000 0.407 86 T N 1.012 115.485 114.554 -0.135 0.000 3.163 86 T HA 0.063 4.414 4.350 0.001 0.000 0.260 86 T C 1.081 175.724 174.700 -0.096 0.000 1.156 86 T CA 0.056 62.170 62.100 0.024 0.000 1.072 86 T CB -0.478 68.449 68.868 0.099 0.000 0.937 86 T HN 0.727 nan 8.240 nan 0.000 0.528 87 G N 2.432 111.062 108.800 -0.284 0.000 2.909 87 G HA2 -0.145 3.815 3.960 0.001 0.000 0.385 87 G HA3 -0.145 3.815 3.960 0.001 0.000 0.385 87 G C -2.855 171.969 174.900 -0.126 0.000 1.436 87 G CA -0.644 44.301 45.100 -0.258 0.000 0.949 87 G HN 0.451 nan 8.290 nan 0.000 0.556 88 P HA 0.420 nan 4.420 nan 0.000 0.279 88 P C -0.039 177.352 177.300 0.152 0.000 1.318 88 P CA -0.410 62.659 63.100 -0.052 0.000 0.819 88 P CB 1.148 32.669 31.700 -0.297 0.000 0.927 89 V N 5.166 125.190 119.914 0.184 0.000 2.644 89 V HA 0.359 4.480 4.120 0.001 0.000 0.295 89 V C 0.862 177.122 176.094 0.277 0.000 1.053 89 V CA -0.428 61.999 62.300 0.211 0.000 0.987 89 V CB 1.030 32.918 31.823 0.108 0.000 1.006 89 V HN 0.354 nan 8.190 nan 0.000 0.472 90 L N 2.045 123.357 121.223 0.148 0.000 2.299 90 L HA 1.029 5.370 4.340 0.001 0.000 0.268 90 L C -0.235 176.615 176.870 -0.034 0.000 1.012 90 L CA -0.634 54.186 54.840 -0.032 0.000 0.816 90 L CB 1.631 43.439 42.059 -0.418 0.000 1.355 90 L HN 0.880 nan 8.230 nan 0.000 0.457 112 W N 4.885 126.190 121.300 0.010 0.000 2.409 112 W HA 0.187 4.848 4.660 0.001 0.000 0.338 112 W C 0.582 177.107 176.519 0.011 0.000 1.273 112 W CA 0.478 57.828 57.345 0.009 0.000 1.299 112 W CB 0.340 29.805 29.460 0.009 0.000 1.192 112 W HN 0.473 nan 8.180 nan 0.000 0.565 113 K N 2.191 122.784 120.400 0.321 0.000 2.395 113 K HA 0.306 4.626 4.320 0.001 0.000 0.245 113 K C -0.804 175.868 176.600 0.120 0.000 1.017 113 K CA -1.054 55.334 56.287 0.168 0.000 0.852 113 K CB 1.906 34.477 32.500 0.118 0.000 1.311 113 K HN 0.143 nan 8.250 nan 0.000 0.452 114 D N 1.209 121.654 120.400 0.074 0.000 2.163 114 D HA 0.136 4.777 4.640 0.001 0.000 0.248 114 D C -0.567 175.763 176.300 0.050 0.000 1.035 114 D CA -0.325 53.702 54.000 0.046 0.000 0.872 114 D CB 1.159 41.982 40.800 0.038 0.000 1.183 114 D HN 0.257 nan 8.370 nan 0.000 0.445 115 N N 2.074 120.797 118.700 0.039 0.000 3.105 115 N HA 0.202 4.943 4.740 0.001 0.000 0.256 115 N C -0.593 174.952 175.510 0.059 0.000 1.174 115 N CA -0.342 52.736 53.050 0.045 0.000 1.030 115 N CB -0.167 38.340 38.487 0.034 0.000 1.305 115 N HN 0.354 nan 8.380 nan 0.000 0.509 116 I N 1.364 121.974 120.570 0.066 0.000 2.517 116 I HA -0.002 4.168 4.170 0.001 0.000 0.285 116 I C 1.221 177.390 176.117 0.086 0.000 1.106 116 I CA -0.184 61.164 61.300 0.080 0.000 1.402 116 I CB 0.274 38.321 38.000 0.077 0.000 1.399 116 I HN 0.324 nan 8.210 nan 0.000 0.535 117 N N 6.708 125.469 118.700 0.102 0.000 2.492 117 N HA 0.033 4.773 4.740 0.001 0.000 0.262 117 N C 0.322 175.892 175.510 0.100 0.000 1.202 117 N CA 0.053 53.166 53.050 0.105 0.000 0.926 117 N CB 0.844 39.406 38.487 0.125 0.000 1.078 117 N HN 0.574 nan 8.380 nan 0.000 0.454 118 M N 1.544 121.199 119.600 0.092 0.000 2.338 118 M HA 0.308 4.788 4.480 0.001 0.000 0.276 118 M C -0.139 176.211 176.300 0.084 0.000 1.057 118 M CA 0.022 55.373 55.300 0.086 0.000 1.079 118 M CB -0.179 32.465 32.600 0.074 0.000 1.547 118 M HN 0.525 nan 8.290 nan 0.000 0.549 119 A N 0.858 123.730 122.820 0.085 0.000 2.597 119 A HA 0.711 5.032 4.320 0.001 0.000 0.292 119 A C -1.907 175.721 177.584 0.074 0.000 1.057 119 A CA -0.600 51.479 52.037 0.070 0.000 0.674 119 A CB 1.552 20.584 19.000 0.054 0.000 1.278 119 A HN 0.078 nan 8.150 nan 0.000 0.416 120 L N 0.740 121.992 121.223 0.049 0.000 2.431 120 L HA 0.767 5.108 4.340 0.001 0.000 0.266 120 L C -0.949 175.914 176.870 -0.012 0.000 0.978 120 L CA -0.652 54.207 54.840 0.032 0.000 0.822 120 L CB 1.502 43.590 42.059 0.048 0.000 1.310 120 L HN 0.593 nan 8.230 nan 0.000 0.409 121 V N 3.706 123.606 119.914 -0.024 0.000 2.577 121 V HA 0.430 4.551 4.120 0.001 0.000 0.294 121 V C -0.223 175.839 176.094 -0.054 0.000 1.052 121 V CA -0.618 61.649 62.300 -0.054 0.000 0.891 121 V CB 2.581 34.346 31.823 -0.096 0.000 1.017 121 V HN 0.449 nan 8.190 nan 0.000 0.436 122 V N 3.911 123.755 119.914 -0.116 0.000 2.644 122 V HA 0.604 4.725 4.120 0.001 0.000 0.295 122 V C -0.407 175.625 176.094 -0.103 0.000 1.053 122 V CA -0.069 62.121 62.300 -0.184 0.000 0.987 122 V CB 1.844 33.430 31.823 -0.395 0.000 1.006 122 V HN 0.879 nan 8.190 nan 0.000 0.472 123 D N 1.325 121.679 120.400 -0.077 0.000 2.977 123 D HA 0.279 4.919 4.640 0.001 0.000 0.220 123 D C 0.028 176.334 176.300 0.011 0.000 1.267 123 D CA -0.130 53.862 54.000 -0.014 0.000 0.884 123 D CB 2.502 43.311 40.800 0.016 0.000 1.667 123 D HN 0.677 nan 8.370 nan 0.000 0.536 124 T N -0.295 114.290 114.554 0.052 0.000 3.182 124 T HA 0.050 4.401 4.350 0.001 0.000 0.277 124 T C 1.407 176.138 174.700 0.051 0.000 1.013 124 T CA -0.288 61.859 62.100 0.079 0.000 0.900 124 T CB -0.311 68.635 68.868 0.130 0.000 1.098 124 T HN 0.368 nan 8.240 nan 0.000 0.543 125 Y N 1.641 121.874 120.300 -0.112 0.000 2.070 125 Y HA -0.125 4.425 4.550 0.001 0.000 0.279 125 Y C 1.740 177.555 175.900 -0.143 0.000 1.134 125 Y CA 1.638 59.620 58.100 -0.197 0.000 1.113 125 Y CB -0.271 37.949 38.460 -0.400 0.000 0.981 125 Y HN 0.208 nan 8.280 nan 0.000 0.487 126 Y N 0.518 120.945 120.300 0.211 0.000 2.196 126 Y HA -0.004 4.547 4.550 0.001 0.000 0.265 126 Y C 0.591 176.492 175.900 0.002 0.000 1.076 126 Y CA 0.895 59.040 58.100 0.075 0.000 1.070 126 Y CB -0.961 37.536 38.460 0.062 0.000 1.009 126 Y HN 0.194 nan 8.280 nan 0.000 0.473 127 D N -1.351 119.167 120.400 0.198 0.000 2.601 127 D HA 0.141 4.782 4.640 0.001 0.000 0.230 127 D C -1.469 174.874 176.300 0.071 0.000 1.106 127 D CA -0.881 53.175 54.000 0.095 0.000 0.873 127 D CB 0.673 41.508 40.800 0.059 0.000 1.515 127 D HN 0.061 nan 8.370 nan 0.000 0.468 128 D N 1.307 121.767 120.400 0.100 0.000 2.479 128 D HA 0.069 4.709 4.640 0.001 0.000 0.257 128 D C 0.186 176.448 176.300 -0.064 0.000 1.230 128 D CA 0.864 54.975 54.000 0.184 0.000 0.912 128 D CB 0.395 41.422 40.800 0.379 0.000 1.130 128 D HN 0.503 nan 8.370 nan 0.000 0.515 129 Q N 0.699 120.364 119.800 -0.225 0.000 2.687 129 Q HA 0.553 4.894 4.340 0.001 0.000 0.295 129 Q C -1.951 173.788 176.000 -0.435 0.000 0.920 129 Q CA -1.126 54.292 55.803 -0.642 0.000 0.766 129 Q CB 1.410 29.964 28.738 -0.306 0.000 1.467 129 Q HN 0.254 nan 8.270 nan 0.000 0.415 130 L N 1.574 122.537 121.223 -0.432 0.000 2.343 130 L HA 0.601 4.942 4.340 0.001 0.000 0.278 130 L C -1.648 175.213 176.870 -0.014 0.000 0.996 130 L CA -0.503 54.219 54.840 -0.196 0.000 0.831 130 L CB 1.562 43.475 42.059 -0.244 0.000 1.232 130 L HN 0.746 nan 8.230 nan 0.000 0.413 131 I N 4.244 124.839 120.570 0.041 0.000 2.428 131 I HA 0.512 4.682 4.170 0.001 0.000 0.289 131 I C 0.007 176.219 176.117 0.159 0.000 1.019 131 I CA -0.180 61.210 61.300 0.150 0.000 1.351 131 I CB 1.485 39.648 38.000 0.270 0.000 1.412 131 I HN 0.805 nan 8.210 nan 0.000 0.513 132 S N 4.675 120.491 115.700 0.193 0.000 2.547 132 S HA 0.637 5.108 4.470 0.001 0.000 0.281 132 S C -1.035 173.658 174.600 0.156 0.000 1.118 132 S CA -0.819 57.477 58.200 0.161 0.000 0.947 132 S CB 1.525 64.815 63.200 0.149 0.000 1.053 132 S HN 0.610 nan 8.310 nan 0.000 0.482 133 c N 2.262 120.941 118.600 0.131 0.000 2.408 133 c HA 0.947 5.518 4.570 0.001 0.000 0.321 133 c C 1.138 175.277 174.090 0.081 0.000 1.245 133 c CA -0.433 55.956 56.329 0.101 0.000 1.523 133 c CB 0.572 43.142 42.510 0.100 0.000 2.178 133 c HN 1.174 nan 8.230 nan 0.000 0.488 134 G N 1.036 109.873 108.800 0.062 0.000 2.753 134 G HA2 0.564 4.525 3.960 0.001 0.000 0.285 134 G HA3 0.564 4.525 3.960 0.001 0.000 0.285 134 G C 0.357 175.280 174.900 0.038 0.000 1.344 134 G CA -0.086 45.048 45.100 0.057 0.000 1.050 134 G HN 0.918 nan 8.290 nan 0.000 0.532 135 S N -1.237 114.487 115.700 0.040 0.000 2.664 135 S HA 0.304 4.775 4.470 0.001 0.000 0.245 135 S C 0.828 175.444 174.600 0.027 0.000 1.019 135 S CA -0.151 58.070 58.200 0.034 0.000 0.996 135 S CB 0.608 63.836 63.200 0.047 0.000 0.878 135 S HN 0.234 nan 8.310 nan 0.000 0.493 136 V N 1.404 121.330 119.914 0.019 0.000 2.735 136 V HA 0.214 4.335 4.120 0.001 0.000 0.234 136 V C 0.632 176.722 176.094 -0.006 0.000 1.121 136 V CA 0.429 62.742 62.300 0.021 0.000 1.160 136 V CB -0.440 31.405 31.823 0.037 0.000 0.908 136 V HN 0.457 nan 8.190 nan 0.000 0.495 137 N N 1.738 120.415 118.700 -0.038 0.000 3.259 137 N HA 0.190 4.930 4.740 0.001 0.000 0.308 137 N C 0.301 175.725 175.510 -0.144 0.000 1.334 137 N CA -0.033 52.959 53.050 -0.095 0.000 1.202 137 N CB -0.162 38.240 38.487 -0.142 0.000 1.485 137 N HN 0.297 nan 8.380 nan 0.000 0.549 138 R N 0.634 121.086 120.500 -0.080 0.000 3.336 138 R HA -0.198 4.143 4.340 0.001 0.000 0.260 138 R C 0.598 176.847 176.300 -0.085 0.000 1.032 138 R CA 0.794 56.850 56.100 -0.073 0.000 0.693 138 R CB -2.232 28.019 30.300 -0.082 0.000 1.134 138 R HN 0.611 nan 8.270 nan 0.000 0.433 139 G N -0.201 108.563 108.800 -0.060 0.000 2.273 139 G HA2 -0.329 3.632 3.960 0.001 0.000 0.280 139 G HA3 -0.329 3.632 3.960 0.001 0.000 0.280 139 G C 0.118 174.975 174.900 -0.071 0.000 1.047 139 G CA 0.633 45.707 45.100 -0.044 0.000 0.869 139 G HN 0.806 nan 8.290 nan 0.000 0.502 140 T N -0.626 113.867 114.554 -0.101 0.000 2.889 140 T HA 0.519 4.869 4.350 0.001 0.000 0.291 140 T C 1.020 175.703 174.700 -0.029 0.000 0.995 140 T CA 0.153 62.181 62.100 -0.119 0.000 1.092 140 T CB 0.383 69.099 68.868 -0.253 0.000 0.954 140 T HN 0.476 nan 8.240 nan 0.000 0.506 141 c N 4.240 122.852 118.600 0.021 0.000 2.335 141 c HA 0.748 5.318 4.570 0.001 0.000 0.363 141 c C -0.074 174.063 174.090 0.079 0.000 1.198 141 c CA -0.679 55.705 56.329 0.092 0.000 2.279 141 c CB 0.772 43.389 42.510 0.178 0.000 2.334 141 c HN 0.966 nan 8.230 nan 0.000 0.559 142 Q N 0.288 120.131 119.800 0.072 0.000 2.340 142 Q HA 0.579 4.919 4.340 0.001 0.000 0.276 142 Q C -1.437 174.517 176.000 -0.077 0.000 1.048 142 Q CA -0.749 55.044 55.803 -0.017 0.000 0.832 142 Q CB 1.356 30.048 28.738 -0.077 0.000 1.373 142 Q HN 0.594 nan 8.270 nan 0.000 0.409 143 R N 1.429 121.854 120.500 -0.125 0.000 2.441 143 R HA 0.334 4.675 4.340 0.001 0.000 0.284 143 R C -0.601 175.490 176.300 -0.348 0.000 1.070 143 R CA -0.333 55.685 56.100 -0.135 0.000 1.047 143 R CB 0.671 30.922 30.300 -0.082 0.000 1.016 143 R HN 0.540 nan 8.270 nan 0.000 0.477 144 H N 2.170 121.130 119.070 -0.183 0.000 2.792 144 H HA 0.187 4.744 4.556 0.001 0.000 0.298 144 H C -0.742 174.328 175.328 -0.429 0.000 1.042 144 H CA -0.480 55.413 56.048 -0.259 0.000 1.300 144 H CB 1.287 30.902 29.762 -0.246 0.000 1.431 144 H HN 0.194 nan 8.280 nan 0.000 0.496 145 V N 5.161 124.952 119.914 -0.204 0.000 2.465 145 V HA 0.169 4.289 4.120 0.001 0.000 0.279 145 V C 0.279 176.265 176.094 -0.181 0.000 1.045 145 V CA -0.387 61.752 62.300 -0.269 0.000 0.938 145 V CB 0.384 32.174 31.823 -0.056 0.000 0.986 145 V HN 0.469 nan 8.190 nan 0.000 0.467 146 F N 5.437 125.452 119.950 0.109 0.000 2.412 146 F HA 0.407 4.934 4.527 0.001 0.000 0.348 146 F C -1.741 174.140 175.800 0.134 0.000 1.102 146 F CA -2.102 55.977 58.000 0.131 0.000 1.196 146 F CB 0.639 39.730 39.000 0.152 0.000 1.144 146 F HN 0.343 nan 8.300 nan 0.000 0.541 147 P HA 0.257 nan 4.420 nan 0.000 0.219 147 P C -0.532 176.993 177.300 0.375 0.000 1.847 147 P CA 0.254 63.504 63.100 0.250 0.000 1.059 147 P CB 0.087 31.868 31.700 0.136 0.000 1.900 148 H N 1.028 120.231 119.070 0.221 0.000 1.464 148 H HA -0.183 4.374 4.556 0.001 0.000 0.091 148 H C -0.182 175.261 175.328 0.191 0.000 1.276 148 H CA 0.874 57.037 56.048 0.192 0.000 1.897 148 H CB -1.331 28.538 29.762 0.179 0.000 2.254 148 H HN 0.135 nan 8.280 nan 0.000 0.959 149 N N 1.719 120.610 118.700 0.317 0.000 3.243 149 N HA 0.213 4.954 4.740 0.001 0.000 0.310 149 N C -0.866 174.602 175.510 -0.071 0.000 1.313 149 N CA 0.647 53.756 53.050 0.098 0.000 1.204 149 N CB -0.432 38.139 38.487 0.140 0.000 1.483 149 N HN 0.351 nan 8.380 nan 0.000 0.553 157 E N 2.650 122.881 120.200 0.051 0.000 2.206 157 E HA 0.424 4.775 4.350 0.001 0.000 0.244 157 E C -1.373 175.150 176.600 -0.128 0.000 1.055 157 E CA -0.035 56.343 56.400 -0.037 0.000 0.970 157 E CB 0.716 30.413 29.700 -0.005 0.000 1.256 157 E HN 0.332 nan 8.360 nan 0.000 0.456 158 V N 5.550 125.349 119.914 -0.192 0.000 2.347 158 V HA 0.222 4.343 4.120 0.001 0.000 0.280 158 V C 0.648 176.553 176.094 -0.315 0.000 1.021 158 V CA -0.672 61.424 62.300 -0.340 0.000 0.847 158 V CB 1.136 32.652 31.823 -0.512 0.000 0.990 158 V HN 0.558 nan 8.190 nan 0.000 0.444 159 H N 2.197 121.133 119.070 -0.224 0.000 2.469 159 H HA 0.599 5.156 4.556 0.001 0.000 0.289 159 H C -0.254 174.997 175.328 -0.128 0.000 1.595 159 H CA -0.211 55.754 56.048 -0.138 0.000 1.536 159 H CB 1.680 31.370 29.762 -0.119 0.000 1.726 159 H HN 0.682 nan 8.280 nan 0.000 0.794 160 C N 0.425 119.783 119.300 0.096 0.000 3.284 160 C HA 0.411 4.871 4.460 0.001 0.000 0.338 160 C C -1.527 173.509 174.990 0.076 0.000 1.237 160 C CA -0.548 58.506 59.018 0.059 0.000 1.276 160 C CB 0.030 27.813 27.740 0.073 0.000 1.601 160 C HN 0.548 nan 8.230 nan 0.000 0.494 161 I N 5.257 125.884 120.570 0.096 0.000 2.390 161 I HA 0.688 4.859 4.170 0.001 0.000 0.283 161 I C -0.644 175.623 176.117 0.251 0.000 1.016 161 I CA 0.091 61.464 61.300 0.121 0.000 1.151 161 I CB 0.956 39.041 38.000 0.140 0.000 1.293 161 I HN 0.496 nan 8.210 nan 0.000 0.458 162 F N 4.614 124.570 119.950 0.009 0.000 2.775 162 F HA 0.431 4.959 4.527 0.001 0.000 0.339 162 F C -0.647 175.151 175.800 -0.003 0.000 1.159 162 F CA -0.582 57.424 58.000 0.011 0.000 1.145 162 F CB 1.074 40.083 39.000 0.015 0.000 1.408 162 F HN 0.337 nan 8.300 nan 0.000 0.597 169 P HA 0.060 nan 4.420 nan 0.000 0.235 169 P C 0.465 177.761 177.300 -0.007 0.000 1.720 169 P CA 0.151 63.253 63.100 0.004 0.000 1.003 169 P CB -0.311 31.382 31.700 -0.011 0.000 1.968 170 S N -0.175 115.534 115.700 0.014 0.000 2.441 170 S HA 0.057 4.528 4.470 0.001 0.000 0.224 170 S C 0.819 175.443 174.600 0.039 0.000 1.043 170 S CA 0.049 58.258 58.200 0.015 0.000 0.948 170 S CB -0.000 63.212 63.200 0.021 0.000 0.810 170 S HN 0.334 nan 8.310 nan 0.000 0.504 171 Q N -1.074 118.769 119.800 0.072 0.000 2.605 171 Q HA 0.624 4.965 4.340 0.001 0.000 0.296 171 Q C -1.925 174.172 176.000 0.163 0.000 1.056 171 Q CA -0.910 54.959 55.803 0.111 0.000 0.778 171 Q CB 2.353 31.174 28.738 0.138 0.000 1.497 171 Q HN 0.306 nan 8.270 nan 0.000 0.443 172 C N 1.389 120.831 119.300 0.236 0.000 2.892 172 C HA 0.408 4.869 4.460 0.001 0.000 0.360 172 C C -2.134 173.029 174.990 0.287 0.000 1.054 172 C CA -1.195 57.956 59.018 0.223 0.000 1.326 172 C CB 0.738 28.574 27.740 0.161 0.000 1.806 172 C HN 0.664 nan 8.230 nan 0.000 0.490 173 P HA 0.062 nan 4.420 nan 0.000 0.220 173 P C 0.879 178.078 177.300 -0.168 0.000 1.154 173 P CA 1.219 64.215 63.100 -0.174 0.000 0.830 173 P CB 0.281 31.687 31.700 -0.491 0.000 0.803 174 D N -0.976 119.427 120.400 0.004 0.000 2.378 174 D HA -0.050 4.590 4.640 0.001 0.000 0.222 174 D C -0.016 176.245 176.300 -0.065 0.000 0.980 174 D CA 0.579 54.610 54.000 0.051 0.000 0.907 174 D CB -0.633 40.303 40.800 0.228 0.000 0.899 174 D HN 0.152 nan 8.370 nan 0.000 0.527 175 C N 1.318 120.591 119.300 -0.046 0.000 2.168 175 C HA 0.261 4.722 4.460 0.001 0.000 0.333 175 C C 1.916 176.862 174.990 -0.072 0.000 1.106 175 C CA -0.798 58.182 59.018 -0.062 0.000 1.574 175 C CB -0.078 27.664 27.740 0.003 0.000 2.055 175 C HN 0.052 nan 8.230 nan 0.000 0.473 176 V N 2.894 122.728 119.914 -0.134 0.000 2.922 176 V HA 0.083 4.204 4.120 0.001 0.000 0.242 176 V C 0.696 176.757 176.094 -0.056 0.000 1.094 176 V CA 0.836 63.043 62.300 -0.155 0.000 1.106 176 V CB -0.049 31.613 31.823 -0.269 0.000 0.799 176 V HN 0.645 nan 8.190 nan 0.000 0.474 177 V N 0.201 120.093 119.914 -0.035 0.000 2.604 177 V HA 0.500 4.620 4.120 0.001 0.000 0.305 177 V C -0.154 175.942 176.094 0.004 0.000 1.043 177 V CA -0.399 61.898 62.300 -0.004 0.000 0.888 177 V CB 1.833 33.665 31.823 0.015 0.000 0.995 177 V HN 0.281 nan 8.190 nan 0.000 0.429 178 S N 2.813 118.522 115.700 0.015 0.000 2.562 178 S HA 0.532 5.003 4.470 0.001 0.000 0.275 178 S C 1.135 175.758 174.600 0.039 0.000 1.281 178 S CA 0.120 58.335 58.200 0.025 0.000 1.045 178 S CB 1.520 64.741 63.200 0.035 0.000 0.962 178 S HN 1.057 nan 8.310 nan 0.000 0.503 179 A N 4.714 127.556 122.820 0.037 0.000 2.235 179 A HA 0.249 4.569 4.320 0.001 0.000 0.208 179 A C 1.471 179.087 177.584 0.054 0.000 1.172 179 A CA 0.374 52.438 52.037 0.045 0.000 0.786 179 A CB -0.429 18.594 19.000 0.038 0.000 0.804 179 A HN 0.844 nan 8.150 nan 0.000 0.479 180 L N -1.125 120.133 121.223 0.059 0.000 2.567 180 L HA 0.303 4.644 4.340 0.001 0.000 0.225 180 L C 0.947 177.873 176.870 0.094 0.000 1.119 180 L CA 0.619 55.501 54.840 0.069 0.000 0.871 180 L CB -0.189 41.910 42.059 0.066 0.000 1.036 180 L HN 0.527 nan 8.230 nan 0.000 0.459 181 G N 0.332 109.193 108.800 0.101 0.000 2.801 181 G HA2 0.328 4.289 3.960 0.001 0.000 0.648 181 G HA3 0.328 4.289 3.960 0.001 0.000 0.648 181 G C -1.280 173.705 174.900 0.143 0.000 1.415 181 G CA -0.378 44.800 45.100 0.130 0.000 0.887 181 G HN 0.251 nan 8.290 nan 0.000 0.627 182 A N 2.080 124.976 122.820 0.127 0.000 2.587 182 A HA 0.976 5.297 4.320 0.001 0.000 0.293 182 A C -0.926 176.732 177.584 0.124 0.000 1.087 182 A CA -0.914 51.177 52.037 0.089 0.000 0.692 182 A CB 2.089 21.117 19.000 0.047 0.000 1.291 182 A HN 0.736 nan 8.150 nan 0.000 0.407 183 K N 0.781 121.261 120.400 0.134 0.000 2.482 183 K HA 0.587 4.908 4.320 0.001 0.000 0.251 183 K C -1.621 175.090 176.600 0.186 0.000 0.936 183 K CA -0.487 55.907 56.287 0.177 0.000 0.791 183 K CB 2.092 34.755 32.500 0.272 0.000 1.213 183 K HN 0.474 nan 8.250 nan 0.000 0.428 184 V N 4.506 124.466 119.914 0.077 0.000 2.376 184 V HA 0.409 4.529 4.120 0.001 0.000 0.287 184 V C 0.203 176.257 176.094 -0.065 0.000 1.015 184 V CA -0.860 61.449 62.300 0.015 0.000 0.834 184 V CB 1.391 33.161 31.823 -0.087 0.000 1.001 184 V HN 0.558 nan 8.190 nan 0.000 0.428 185 L N 2.854 124.095 121.223 0.030 0.000 2.431 185 L HA 0.782 5.123 4.340 0.001 0.000 0.260 185 L C 0.295 177.195 176.870 0.049 0.000 1.098 185 L CA -0.239 54.613 54.840 0.020 0.000 0.800 185 L CB 1.907 43.974 42.059 0.013 0.000 1.210 185 L HN 0.728 nan 8.230 nan 0.000 0.465 186 S N 0.609 116.361 115.700 0.085 0.000 2.616 186 S HA 0.407 4.877 4.470 0.001 0.000 0.276 186 S C -1.289 173.405 174.600 0.158 0.000 1.159 186 S CA -0.444 57.787 58.200 0.052 0.000 1.000 186 S CB 1.349 64.407 63.200 -0.237 0.000 1.117 186 S HN 0.608 nan 8.310 nan 0.000 0.464 187 S N 3.930 119.803 115.700 0.288 0.000 2.668 187 S HA 0.485 4.956 4.470 0.001 0.000 0.277 187 S C -0.883 173.793 174.600 0.128 0.000 1.170 187 S CA -0.463 57.855 58.200 0.195 0.000 0.994 187 S CB 1.330 64.660 63.200 0.217 0.000 1.051 187 S HN 0.836 nan 8.310 nan 0.000 0.484 188 V N 6.715 126.618 119.914 -0.018 0.000 2.359 188 V HA 0.222 4.343 4.120 0.001 0.000 0.248 188 V C 0.082 176.130 176.094 -0.077 0.000 1.091 188 V CA 0.023 62.218 62.300 -0.176 0.000 1.103 188 V CB -0.587 30.927 31.823 -0.514 0.000 1.176 188 V HN 0.578 nan 8.190 nan 0.000 0.488 189 K N 3.734 124.146 120.400 0.020 0.000 2.253 189 K HA 0.228 4.549 4.320 0.001 0.000 0.277 189 K C 0.140 176.768 176.600 0.046 0.000 1.053 189 K CA -0.335 55.984 56.287 0.055 0.000 0.892 189 K CB 0.641 33.216 32.500 0.126 0.000 1.102 189 K HN 0.644 nan 8.250 nan 0.000 0.469 190 D N 2.991 123.401 120.400 0.016 0.000 3.133 190 D HA -0.193 4.447 4.640 0.001 0.000 0.239 190 D C 0.164 176.418 176.300 -0.077 0.000 1.136 190 D CA 0.504 54.514 54.000 0.017 0.000 0.898 190 D CB -0.410 40.438 40.800 0.081 0.000 0.959 190 D HN 0.825 nan 8.370 nan 0.000 0.415 191 R N -1.190 119.192 120.500 -0.196 0.000 3.953 191 R HA -0.258 4.083 4.340 0.001 0.000 0.448 191 R C -0.114 175.775 176.300 -0.685 0.000 1.016 191 R CA 1.851 57.708 56.100 -0.405 0.000 1.398 191 R CB -1.327 28.671 30.300 -0.504 0.000 2.021 191 R HN 0.371 nan 8.270 nan 0.000 0.538 192 F N -0.069 119.794 119.950 -0.145 0.000 2.563 192 F HA 0.513 5.040 4.527 0.001 0.000 0.316 192 F C 0.655 176.331 175.800 -0.205 0.000 1.076 192 F CA -1.226 56.710 58.000 -0.107 0.000 0.921 192 F CB 1.309 40.284 39.000 -0.042 0.000 1.209 192 F HN -0.221 nan 8.300 nan 0.000 0.462 193 I N 2.563 123.152 120.570 0.031 0.000 2.441 193 I HA 0.181 4.351 4.170 0.001 0.000 0.287 193 I C -0.783 175.385 176.117 0.085 0.000 1.049 193 I CA -0.222 61.076 61.300 -0.004 0.000 1.381 193 I CB 0.718 38.727 38.000 0.015 0.000 1.409 193 I HN 0.541 nan 8.210 nan 0.000 0.523 194 N N 5.681 124.443 118.700 0.102 0.000 2.342 194 N HA 0.479 5.220 4.740 0.001 0.000 0.293 194 N C -1.172 174.370 175.510 0.053 0.000 1.026 194 N CA -0.407 52.612 53.050 -0.052 0.000 0.857 194 N CB 1.291 39.593 38.487 -0.309 0.000 1.256 194 N HN 0.239 nan 8.380 nan 0.000 0.484 195 F N 2.201 121.969 119.950 -0.304 0.000 2.404 195 F HA 0.451 4.978 4.527 0.001 0.000 0.354 195 F C -0.519 175.084 175.800 -0.329 0.000 1.122 195 F CA -1.162 56.730 58.000 -0.181 0.000 1.080 195 F CB 0.190 39.166 39.000 -0.040 0.000 1.131 195 F HN 0.312 nan 8.300 nan 0.000 0.471 196 F N 3.290 123.380 119.950 0.234 0.000 2.404 196 F HA 0.642 5.169 4.527 0.001 0.000 0.354 196 F C -0.149 175.840 175.800 0.314 0.000 1.122 196 F CA -1.010 57.167 58.000 0.295 0.000 1.080 196 F CB 1.172 40.402 39.000 0.383 0.000 1.131 196 F HN 0.002 nan 8.300 nan 0.000 0.471 197 V N 1.924 122.024 119.914 0.310 0.000 2.841 197 V HA 0.811 4.931 4.120 0.001 0.000 0.310 197 V C -0.088 175.871 176.094 -0.224 0.000 1.090 197 V CA -0.929 61.444 62.300 0.122 0.000 0.930 197 V CB 2.200 34.055 31.823 0.053 0.000 1.014 197 V HN 0.888 nan 8.190 nan 0.000 0.425 198 G N 2.553 111.117 108.800 -0.393 0.000 2.487 198 G HA2 0.594 4.554 3.960 0.001 0.000 0.314 198 G HA3 0.594 4.554 3.960 0.001 0.000 0.314 198 G C -0.934 173.453 174.900 -0.855 0.000 1.267 198 G CA -0.482 43.957 45.100 -1.101 0.000 0.937 198 G HN 0.524 nan 8.290 nan 0.000 0.481 199 N N 1.200 119.503 118.700 -0.662 0.000 2.314 199 N HA 0.402 5.142 4.740 0.001 0.000 0.294 199 N C -0.291 175.304 175.510 0.142 0.000 1.029 199 N CA -0.335 52.621 53.050 -0.157 0.000 0.845 199 N CB 2.279 40.724 38.487 -0.070 0.000 1.321 199 N HN 0.373 nan 8.380 nan 0.000 0.481 200 T N 2.426 117.132 114.554 0.253 0.000 2.910 200 T HA 0.662 5.012 4.350 0.001 0.000 0.293 200 T C 0.559 175.335 174.700 0.126 0.000 1.015 200 T CA -0.202 62.048 62.100 0.250 0.000 1.094 200 T CB 0.368 69.355 68.868 0.199 0.000 0.968 200 T HN 0.454 nan 8.240 nan 0.000 0.521 201 I N -0.076 120.553 120.570 0.097 0.000 2.828 201 I HA 0.496 4.667 4.170 0.001 0.000 0.295 201 I C -0.811 175.324 176.117 0.030 0.000 1.459 201 I CA -1.324 60.004 61.300 0.046 0.000 1.015 201 I CB 2.072 40.083 38.000 0.019 0.000 1.345 201 I HN 0.578 nan 8.210 nan 0.000 0.449 202 N N 2.001 120.705 118.700 0.007 0.000 3.223 202 N HA 0.456 5.197 4.740 0.001 0.000 0.350 202 N C -0.675 174.811 175.510 -0.040 0.000 1.425 202 N CA -0.706 52.340 53.050 -0.007 0.000 0.668 202 N CB 0.192 38.676 38.487 -0.004 0.000 1.435 202 N HN 0.613 nan 8.380 nan 0.000 0.569 203 S N -0.631 115.040 115.700 -0.049 0.000 2.537 203 S HA 0.645 5.116 4.470 0.001 0.000 0.275 203 S C -0.340 174.205 174.600 -0.091 0.000 1.272 203 S CA -0.434 57.713 58.200 -0.088 0.000 1.050 203 S CB -0.125 63.028 63.200 -0.078 0.000 0.961 203 S HN 0.917 nan 8.310 nan 0.000 0.496 204 S N 2.098 117.706 115.700 -0.153 0.000 2.744 204 S HA 0.298 4.769 4.470 0.001 0.000 0.284 204 S C -1.260 173.202 174.600 -0.231 0.000 0.979 204 S CA -0.930 57.200 58.200 -0.118 0.000 0.870 204 S CB -0.276 62.895 63.200 -0.047 0.000 1.094 204 S HN 0.420 nan 8.310 nan 0.000 0.458 211 L N 2.230 123.371 121.223 -0.137 0.000 2.381 211 L HA 0.508 4.849 4.340 0.001 0.000 0.268 211 L C 0.019 176.788 176.870 -0.168 0.000 0.997 211 L CA -0.856 53.948 54.840 -0.061 0.000 0.818 211 L CB 1.761 43.807 42.059 -0.021 0.000 1.310 211 L HN 0.478 nan 8.230 nan 0.000 0.416 212 H N 0.423 119.397 119.070 -0.161 0.000 2.505 212 H HA 0.150 4.707 4.556 0.001 0.000 0.351 212 H C 0.483 175.734 175.328 -0.128 0.000 1.151 212 H CA -0.052 55.876 56.048 -0.200 0.000 1.339 212 H CB 1.911 31.490 29.762 -0.306 0.000 1.483 212 H HN 0.712 nan 8.280 nan 0.000 0.558 213 S N 1.842 117.547 115.700 0.009 0.000 2.421 213 S HA 0.100 4.570 4.470 0.001 0.000 0.224 213 S C 0.813 175.320 174.600 -0.156 0.000 1.035 213 S CA 0.364 58.558 58.200 -0.010 0.000 0.953 213 S CB 0.414 63.693 63.200 0.132 0.000 0.810 213 S HN 0.452 nan 8.310 nan 0.000 0.497 214 I N 2.773 123.280 120.570 -0.104 0.000 2.517 214 I HA 0.355 4.525 4.170 0.001 0.000 0.280 214 I C -0.748 175.286 176.117 -0.138 0.000 1.061 214 I CA -0.385 60.786 61.300 -0.215 0.000 1.091 214 I CB 1.830 39.720 38.000 -0.183 0.000 1.205 214 I HN 0.296 nan 8.210 nan 0.000 0.459 215 S N 4.814 120.461 115.700 -0.088 0.000 2.638 215 S HA 0.812 5.283 4.470 0.001 0.000 0.302 215 S C -0.666 173.963 174.600 0.047 0.000 1.096 215 S CA -0.732 57.466 58.200 -0.004 0.000 0.953 215 S CB 2.816 66.028 63.200 0.020 0.000 1.107 215 S HN 0.188 nan 8.310 nan 0.000 0.503 216 V N 2.569 122.519 119.914 0.061 0.000 2.558 216 V HA 0.418 4.539 4.120 0.001 0.000 0.261 216 V C -0.661 175.419 176.094 -0.023 0.000 0.958 216 V CA -0.668 61.604 62.300 -0.047 0.000 0.852 216 V CB 0.704 32.492 31.823 -0.057 0.000 1.067 216 V HN 0.978 nan 8.190 nan 0.000 0.468 217 R N 3.652 124.109 120.500 -0.072 0.000 2.255 217 R HA 0.588 4.929 4.340 0.001 0.000 0.326 217 R C -0.104 176.141 176.300 -0.093 0.000 0.986 217 R CA -0.696 55.271 56.100 -0.222 0.000 0.847 217 R CB 1.155 31.061 30.300 -0.657 0.000 1.111 217 R HN 0.739 nan 8.270 nan 0.000 0.452 218 R N 2.125 122.546 120.500 -0.132 0.000 2.531 218 R HA 0.421 4.761 4.340 0.001 0.000 0.273 218 R C -0.718 175.465 176.300 -0.194 0.000 1.070 218 R CA -0.793 55.232 56.100 -0.125 0.000 1.112 218 R CB 0.689 30.877 30.300 -0.187 0.000 1.049 218 R HN 0.540 nan 8.270 nan 0.000 0.508 219 L N 1.938 122.987 121.223 -0.290 0.000 2.325 219 L HA 0.411 4.752 4.340 0.001 0.000 0.279 219 L C -0.874 175.841 176.870 -0.259 0.000 1.054 219 L CA -0.388 54.105 54.840 -0.578 0.000 0.804 219 L CB 1.358 42.969 42.059 -0.746 0.000 1.200 219 L HN 0.647 nan 8.230 nan 0.000 0.436 220 K N 1.716 121.938 120.400 -0.297 0.000 2.098 220 K HA 0.264 4.585 4.320 0.001 0.000 0.257 220 K C 0.741 177.246 176.600 -0.158 0.000 0.999 220 K CA -0.179 56.020 56.287 -0.147 0.000 0.924 220 K CB 0.649 33.038 32.500 -0.186 0.000 1.028 220 K HN 0.595 nan 8.250 nan 0.000 0.466 221 E N -0.460 119.688 120.200 -0.087 0.000 2.409 221 E HA -0.150 4.201 4.350 0.001 0.000 0.198 221 E C 1.256 177.624 176.600 -0.387 0.000 1.024 221 E CA 1.054 57.196 56.400 -0.429 0.000 0.861 221 E CB -0.430 29.126 29.700 -0.241 0.000 0.788 221 E HN 0.557 nan 8.360 nan 0.000 0.521 222 T N 0.151 114.556 114.554 -0.247 0.000 2.951 222 T HA -0.110 4.241 4.350 0.001 0.000 0.268 222 T C 0.536 175.074 174.700 -0.269 0.000 1.073 222 T CA 1.371 63.339 62.100 -0.219 0.000 1.134 222 T CB -0.242 68.531 68.868 -0.159 0.000 0.884 222 T HN 0.329 nan 8.240 nan 0.000 0.479 223 K N -0.136 120.074 120.400 -0.317 0.000 3.512 223 K HA -0.173 4.148 4.320 0.001 0.000 0.309 223 K C -0.156 176.267 176.600 -0.293 0.000 1.350 223 K CA 1.251 57.340 56.287 -0.331 0.000 0.960 223 K CB -1.636 30.660 32.500 -0.339 0.000 1.290 223 K HN 0.628 nan 8.250 nan 0.000 0.454 224 D N -0.655 119.596 120.400 -0.249 0.000 2.398 224 D HA 0.259 4.900 4.640 0.001 0.000 0.210 224 D C 0.603 176.813 176.300 -0.150 0.000 1.094 224 D CA 0.389 54.284 54.000 -0.174 0.000 0.839 224 D CB 1.098 41.825 40.800 -0.122 0.000 0.963 224 D HN 0.314 nan 8.370 nan 0.000 0.506 225 G N -0.979 107.670 108.800 -0.252 0.000 2.519 225 G HA2 0.419 4.379 3.960 0.001 0.000 0.292 225 G HA3 0.419 4.379 3.960 0.001 0.000 0.292 225 G C -1.484 173.205 174.900 -0.352 0.000 1.507 225 G CA -1.116 43.870 45.100 -0.190 0.000 0.806 225 G HN -0.016 nan 8.290 nan 0.000 0.523 226 F N 0.157 119.962 119.950 -0.243 0.000 2.403 226 F HA 0.867 5.395 4.527 0.001 0.000 0.326 226 F C 0.964 176.545 175.800 -0.365 0.000 1.099 226 F CA -0.597 57.196 58.000 -0.344 0.000 1.036 226 F CB 1.768 40.504 39.000 -0.439 0.000 1.336 226 F HN 0.572 nan 8.300 nan 0.000 0.497 227 M N 0.551 120.001 119.600 -0.251 0.000 2.307 227 M HA 0.456 4.937 4.480 0.001 0.000 0.279 227 M C -2.236 173.858 176.300 -0.343 0.000 1.080 227 M CA -0.517 54.604 55.300 -0.298 0.000 0.964 227 M CB 1.292 33.781 32.600 -0.185 0.000 1.825 227 M HN 0.311 nan 8.290 nan 0.000 0.489 228 F N 2.010 121.942 119.950 -0.030 0.000 2.382 228 F HA 0.405 4.933 4.527 0.001 0.000 0.331 228 F C 0.765 176.542 175.800 -0.038 0.000 1.121 228 F CA -0.599 57.382 58.000 -0.032 0.000 1.183 228 F CB 0.726 39.742 39.000 0.028 0.000 1.207 228 F HN 0.586 nan 8.300 nan 0.000 0.555 229 L N 0.404 121.708 121.223 0.135 0.000 2.296 229 L HA 0.149 4.490 4.340 0.001 0.000 0.193 229 L C 1.184 178.077 176.870 0.039 0.000 1.123 229 L CA 1.055 55.921 54.840 0.043 0.000 0.805 229 L CB -0.305 41.752 42.059 -0.003 0.000 1.004 229 L HN 0.826 nan 8.230 nan 0.000 0.478 230 T N -5.613 108.938 114.554 -0.006 0.000 2.807 230 T HA 0.207 4.558 4.350 0.001 0.000 0.277 230 T C 0.612 175.200 174.700 -0.187 0.000 1.006 230 T CA -0.529 61.539 62.100 -0.053 0.000 1.006 230 T CB 0.946 69.788 68.868 -0.042 0.000 1.274 230 T HN -0.008 nan 8.240 nan 0.000 0.569 231 D N -0.306 119.970 120.400 -0.207 0.000 2.219 231 D HA -0.070 4.571 4.640 0.001 0.000 0.205 231 D C 1.833 177.753 176.300 -0.633 0.000 0.970 231 D CA 1.149 54.921 54.000 -0.380 0.000 0.851 231 D CB 0.088 40.790 40.800 -0.164 0.000 0.943 231 D HN 0.596 nan 8.370 nan 0.000 0.488 232 Q N -0.318 119.257 119.800 -0.374 0.000 2.451 232 Q HA -0.018 4.323 4.340 0.001 0.000 0.206 232 Q C 1.945 177.697 176.000 -0.414 0.000 0.947 232 Q CA 0.516 56.120 55.803 -0.330 0.000 0.937 232 Q CB 0.162 28.830 28.738 -0.117 0.000 1.025 232 Q HN 0.219 nan 8.270 nan 0.000 0.511 233 S N 0.177 115.607 115.700 -0.449 0.000 2.500 233 S HA -0.129 4.342 4.470 0.001 0.000 0.239 233 S C 0.309 174.751 174.600 -0.264 0.000 0.989 233 S CA 0.419 58.448 58.200 -0.286 0.000 0.951 233 S CB -0.368 62.785 63.200 -0.079 0.000 0.759 233 S HN 0.421 nan 8.310 nan 0.000 0.523 234 Y N -1.103 119.051 120.300 -0.243 0.000 2.588 234 Y HA 0.824 5.375 4.550 0.001 0.000 0.343 234 Y C -0.950 174.779 175.900 -0.283 0.000 1.065 234 Y CA -2.262 55.681 58.100 -0.262 0.000 1.038 234 Y CB 0.930 39.243 38.460 -0.245 0.000 1.297 234 Y HN -0.106 nan 8.280 nan 0.000 0.467 235 I N 2.959 123.433 120.570 -0.159 0.000 2.466 235 I HA 0.433 4.603 4.170 0.001 0.000 0.289 235 I C -1.033 175.026 176.117 -0.097 0.000 1.026 235 I CA -0.661 60.396 61.300 -0.406 0.000 1.078 235 I CB 1.563 38.997 38.000 -0.945 0.000 1.249 235 I HN 0.792 nan 8.210 nan 0.000 0.429 236 D N 3.977 124.435 120.400 0.098 0.000 2.758 236 D HA 0.553 5.194 4.640 0.001 0.000 0.262 236 D C -0.709 175.750 176.300 0.266 0.000 1.113 236 D CA -0.410 53.682 54.000 0.153 0.000 1.114 236 D CB 2.490 43.335 40.800 0.075 0.000 1.363 236 D HN 0.066 nan 8.370 nan 0.000 0.617 237 V N 1.341 121.386 119.914 0.218 0.000 2.435 237 V HA 0.253 4.374 4.120 0.001 0.000 0.290 237 V C 0.415 176.603 176.094 0.156 0.000 1.030 237 V CA -0.786 61.680 62.300 0.276 0.000 0.881 237 V CB 1.448 33.419 31.823 0.246 0.000 0.983 237 V HN 0.298 nan 8.190 nan 0.000 0.445 238 L N 6.904 128.230 121.223 0.172 0.000 2.578 238 L HA 0.035 4.375 4.340 0.001 0.000 0.279 238 L C -1.102 175.740 176.870 -0.047 0.000 1.227 238 L CA -0.862 53.994 54.840 0.027 0.000 0.900 238 L CB 0.473 42.542 42.059 0.017 0.000 1.144 238 L HN 0.493 nan 8.230 nan 0.000 0.496 239 P HA -0.237 nan 4.420 nan 0.000 0.217 239 P C 1.148 178.341 177.300 -0.177 0.000 1.148 239 P CA 1.413 64.434 63.100 -0.132 0.000 0.834 239 P CB 0.075 31.690 31.700 -0.142 0.000 0.783 240 E N -1.181 118.819 120.200 -0.332 0.000 2.338 240 E HA -0.126 4.225 4.350 0.001 0.000 0.197 240 E C 0.677 176.980 176.600 -0.495 0.000 1.007 240 E CA 0.891 56.990 56.400 -0.502 0.000 0.849 240 E CB -0.807 28.419 29.700 -0.790 0.000 0.774 240 E HN 0.332 nan 8.360 nan 0.000 0.506 241 F N -0.176 119.795 119.950 0.035 0.000 2.764 241 F HA 0.410 4.937 4.527 0.001 0.000 0.310 241 F C 1.836 177.675 175.800 0.065 0.000 1.124 241 F CA -0.950 57.092 58.000 0.069 0.000 1.252 241 F CB 0.548 39.605 39.000 0.095 0.000 1.010 241 F HN -0.166 nan 8.300 nan 0.000 0.518 242 R N 0.963 121.538 120.500 0.125 0.000 2.061 242 R HA -0.131 4.209 4.340 0.001 0.000 0.230 242 R C 2.018 178.363 176.300 0.076 0.000 1.140 242 R CA 1.949 58.095 56.100 0.077 0.000 0.940 242 R CB -0.299 29.996 30.300 -0.007 0.000 0.839 242 R HN 0.092 nan 8.270 nan 0.000 0.429 243 D N -0.899 119.532 120.400 0.052 0.000 2.240 243 D HA -0.056 4.585 4.640 0.001 0.000 0.206 243 D C 1.749 178.072 176.300 0.040 0.000 0.963 243 D CA 1.162 55.181 54.000 0.032 0.000 0.863 243 D CB 0.026 40.830 40.800 0.007 0.000 0.973 243 D HN 0.250 nan 8.370 nan 0.000 0.501 244 S N -0.725 115.035 115.700 0.100 0.000 2.377 244 S HA -0.225 4.245 4.470 0.001 0.000 0.224 244 S C 0.699 175.318 174.600 0.031 0.000 1.042 244 S CA 0.919 59.197 58.200 0.130 0.000 1.086 244 S CB -0.566 62.817 63.200 0.305 0.000 0.995 244 S HN 0.256 nan 8.310 nan 0.000 0.428 245 Y N 2.562 122.919 120.300 0.095 0.000 2.329 245 Y HA 0.628 5.179 4.550 0.001 0.000 0.328 245 Y C -2.691 173.242 175.900 0.055 0.000 0.992 245 Y CA -2.231 55.903 58.100 0.057 0.000 1.151 245 Y CB 2.156 40.598 38.460 -0.030 0.000 1.150 245 Y HN 0.252 nan 8.280 nan 0.000 0.450 246 P HA 0.551 nan 4.420 nan 0.000 0.283 246 P C -1.032 176.316 177.300 0.081 0.000 1.278 246 P CA -0.616 62.542 63.100 0.098 0.000 0.834 246 P CB 1.951 33.693 31.700 0.070 0.000 1.150 247 I N 0.696 121.266 120.570 0.001 0.000 2.439 247 I HA 0.297 4.468 4.170 0.001 0.000 0.285 247 I C 0.029 175.997 176.117 -0.249 0.000 1.021 247 I CA -0.895 60.311 61.300 -0.157 0.000 1.091 247 I CB 1.633 39.426 38.000 -0.345 0.000 1.242 247 I HN -0.046 nan 8.210 nan 0.000 0.439 248 K N 5.860 126.162 120.400 -0.163 0.000 2.258 248 K HA 0.328 4.648 4.320 0.001 0.000 0.284 248 K C -1.119 175.366 176.600 -0.191 0.000 1.051 248 K CA -0.415 55.826 56.287 -0.077 0.000 0.923 248 K CB 0.837 33.350 32.500 0.022 0.000 1.046 248 K HN 0.333 nan 8.250 nan 0.000 0.474 249 Y N 1.780 122.161 120.300 0.136 0.000 2.477 249 Y HA 0.053 4.604 4.550 0.001 0.000 0.349 249 Y C 1.528 177.545 175.900 0.195 0.000 0.977 249 Y CA -0.451 57.764 58.100 0.193 0.000 1.214 249 Y CB 0.624 39.217 38.460 0.221 0.000 1.124 249 Y HN 0.259 nan 8.280 nan 0.000 0.521 250 V N 2.108 122.188 119.914 0.277 0.000 2.535 250 V HA -0.075 4.046 4.120 0.001 0.000 0.246 250 V C 0.456 176.738 176.094 0.314 0.000 1.045 250 V CA 1.262 63.700 62.300 0.231 0.000 1.058 250 V CB -0.423 31.490 31.823 0.150 0.000 0.689 250 V HN 0.766 nan 8.190 nan 0.000 0.461 251 H N -1.303 117.898 119.070 0.219 0.000 3.024 251 H HA 0.619 5.176 4.556 0.001 0.000 0.324 251 H C -1.702 173.725 175.328 0.165 0.000 1.347 251 H CA 0.141 56.299 56.048 0.184 0.000 1.182 251 H CB 1.990 31.845 29.762 0.155 0.000 1.889 251 H HN 0.180 nan 8.280 nan 0.000 0.528 252 A N 2.658 125.140 122.820 -0.564 0.000 2.574 252 A HA 0.676 4.997 4.320 0.001 0.000 0.297 252 A C -1.865 175.455 177.584 -0.439 0.000 1.062 252 A CA -0.284 51.418 52.037 -0.558 0.000 0.686 252 A CB 1.645 20.038 19.000 -1.012 0.000 1.285 252 A HN 0.636 nan 8.150 nan 0.000 0.403 253 F N -0.884 118.810 119.950 -0.427 0.000 2.741 253 F HA 0.792 5.320 4.527 0.001 0.000 0.311 253 F C -1.038 174.665 175.800 -0.161 0.000 1.149 253 F CA -0.637 57.218 58.000 -0.242 0.000 0.930 253 F CB 1.252 40.203 39.000 -0.082 0.000 1.312 253 F HN 0.682 nan 8.300 nan 0.000 0.450 254 E N 1.477 121.698 120.200 0.036 0.000 2.199 254 E HA 0.649 5.000 4.350 0.001 0.000 0.269 254 E C -1.601 175.108 176.600 0.183 0.000 0.899 254 E CA -0.667 55.717 56.400 -0.027 0.000 0.772 254 E CB 1.892 31.510 29.700 -0.136 0.000 1.155 254 E HN 0.913 nan 8.360 nan 0.000 0.408 255 S N 3.628 119.471 115.700 0.238 0.000 2.578 255 S HA 0.226 4.697 4.470 0.001 0.000 0.285 255 S C -0.850 173.948 174.600 0.330 0.000 1.126 255 S CA -0.210 58.152 58.200 0.271 0.000 0.878 255 S CB 0.590 63.982 63.200 0.320 0.000 1.091 255 S HN 0.864 nan 8.310 nan 0.000 0.450 256 N N 2.937 121.776 118.700 0.232 0.000 2.714 256 N HA -0.161 4.580 4.740 0.001 0.000 0.250 256 N C -0.101 175.570 175.510 0.269 0.000 1.117 256 N CA 0.970 54.180 53.050 0.265 0.000 0.719 256 N CB -1.064 37.623 38.487 0.333 0.000 1.081 256 N HN 0.736 nan 8.380 nan 0.000 0.557 257 N N -3.085 115.669 118.700 0.090 0.000 2.850 257 N HA -0.194 4.547 4.740 0.001 0.000 0.249 257 N C -0.820 174.438 175.510 -0.421 0.000 1.060 257 N CA 1.503 54.470 53.050 -0.139 0.000 0.825 257 N CB -1.186 37.187 38.487 -0.191 0.000 1.132 257 N HN 0.398 nan 8.380 nan 0.000 0.564 258 F N 0.247 120.111 119.950 -0.143 0.000 2.631 258 F HA 0.700 5.228 4.527 0.001 0.000 0.350 258 F C 0.811 176.266 175.800 -0.574 0.000 1.080 258 F CA -0.822 56.945 58.000 -0.389 0.000 1.026 258 F CB 1.048 39.728 39.000 -0.533 0.000 1.347 258 F HN -0.264 nan 8.300 nan 0.000 0.501 259 I N 0.697 120.803 120.570 -0.773 0.000 2.569 259 I HA 0.361 4.532 4.170 0.001 0.000 0.296 259 I C -1.525 173.840 176.117 -1.253 0.000 1.028 259 I CA -0.906 59.813 61.300 -0.968 0.000 1.082 259 I CB 1.866 39.185 38.000 -1.135 0.000 1.264 259 I HN 0.485 nan 8.210 nan 0.000 0.429 260 Y N 4.020 123.737 120.300 -0.972 0.000 2.406 260 Y HA 0.561 5.111 4.550 0.001 0.000 0.340 260 Y C -0.732 174.715 175.900 -0.755 0.000 0.975 260 Y CA -0.560 56.999 58.100 -0.901 0.000 1.056 260 Y CB 2.288 39.853 38.460 -1.493 0.000 1.210 260 Y HN 0.295 nan 8.280 nan 0.000 0.448 261 F N 3.345 123.238 119.950 -0.094 0.000 2.520 261 F HA 0.614 5.142 4.527 0.001 0.000 0.322 261 F C -0.776 175.127 175.800 0.172 0.000 1.103 261 F CA -0.804 57.258 58.000 0.104 0.000 0.926 261 F CB 1.511 40.661 39.000 0.249 0.000 1.154 261 F HN 0.190 nan 8.300 nan 0.000 0.453 262 L N 3.012 124.465 121.223 0.384 0.000 2.307 262 L HA 0.688 5.029 4.340 0.001 0.000 0.284 262 L C -0.102 176.910 176.870 0.237 0.000 1.023 262 L CA -0.464 54.546 54.840 0.283 0.000 0.810 262 L CB 1.961 44.183 42.059 0.272 0.000 1.231 262 L HN 0.736 nan 8.230 nan 0.000 0.423 263 T N -0.040 114.598 114.554 0.140 0.000 2.906 263 T HA 0.719 5.070 4.350 0.001 0.000 0.295 263 T C -0.756 173.977 174.700 0.056 0.000 1.075 263 T CA -0.765 61.358 62.100 0.038 0.000 1.005 263 T CB 2.058 70.885 68.868 -0.069 0.000 1.136 263 T HN 0.123 nan 8.240 nan 0.000 0.498 264 V N 3.289 123.227 119.914 0.040 0.000 2.378 264 V HA 0.603 4.724 4.120 0.001 0.000 0.288 264 V C -0.334 175.864 176.094 0.172 0.000 1.016 264 V CA -0.541 61.839 62.300 0.133 0.000 0.840 264 V CB 0.776 32.675 31.823 0.127 0.000 0.994 264 V HN 1.080 nan 8.190 nan 0.000 0.431 265 Q N 4.601 124.547 119.800 0.244 0.000 2.462 265 Q HA 0.574 4.915 4.340 0.001 0.000 0.285 265 Q C -0.452 175.631 176.000 0.138 0.000 1.035 265 Q CA -1.231 54.698 55.803 0.211 0.000 0.799 265 Q CB 2.135 30.898 28.738 0.042 0.000 1.452 265 Q HN 0.696 nan 8.270 nan 0.000 0.404 266 R N 0.963 121.386 120.500 -0.129 0.000 2.598 266 R HA -0.123 4.218 4.340 0.001 0.000 0.266 266 R C -0.172 175.924 176.300 -0.341 0.000 0.977 266 R CA 0.912 56.686 56.100 -0.543 0.000 1.097 266 R CB 0.308 30.215 30.300 -0.654 0.000 0.911 266 R HN 0.903 nan 8.270 nan 0.000 0.419 267 E N 0.489 120.370 120.200 -0.530 0.000 2.028 267 E HA -0.114 4.237 4.350 0.001 0.000 0.191 267 E C 0.392 176.818 176.600 -0.291 0.000 0.988 267 E CA 2.090 58.084 56.400 -0.676 0.000 0.799 267 E CB 0.066 29.373 29.700 -0.655 0.000 0.755 267 E HN 0.861 nan 8.360 nan 0.000 0.447 268 T N -2.328 112.036 114.554 -0.316 0.000 2.883 268 T HA 0.459 4.810 4.350 0.001 0.000 0.296 268 T C -0.121 174.355 174.700 -0.374 0.000 1.117 268 T CA -0.904 61.053 62.100 -0.238 0.000 1.006 268 T CB 1.168 69.933 68.868 -0.172 0.000 1.191 268 T HN -0.057 nan 8.240 nan 0.000 0.508 269 L N 2.578 123.600 121.223 -0.336 0.000 2.543 269 L HA 0.127 4.468 4.340 0.001 0.000 0.285 269 L C 0.753 177.379 176.870 -0.407 0.000 1.236 269 L CA 0.966 55.538 54.840 -0.446 0.000 0.871 269 L CB -0.339 41.416 42.059 -0.505 0.000 1.121 269 L HN 1.180 nan 8.230 nan 0.000 0.501 270 D N 0.396 120.529 120.400 -0.444 0.000 2.737 270 D HA -0.190 4.451 4.640 0.001 0.000 0.233 270 D C -0.363 175.758 176.300 -0.298 0.000 1.155 270 D CA 1.089 54.922 54.000 -0.278 0.000 0.667 270 D CB -1.180 39.563 40.800 -0.095 0.000 1.060 270 D HN 0.666 nan 8.370 nan 0.000 0.427 271 A N -0.744 121.775 122.820 -0.502 0.000 2.337 271 A HA 0.576 4.897 4.320 0.001 0.000 0.329 271 A C 1.063 178.439 177.584 -0.346 0.000 1.146 271 A CA -0.673 51.146 52.037 -0.364 0.000 0.800 271 A CB 1.347 20.128 19.000 -0.364 0.000 1.220 271 A HN 0.081 nan 8.150 nan 0.000 0.472 272 Q N 0.360 120.078 119.800 -0.138 0.000 2.269 272 Q HA 0.010 4.351 4.340 0.001 0.000 0.201 272 Q C 0.788 176.822 176.000 0.057 0.000 0.946 272 Q CA 1.436 57.251 55.803 0.019 0.000 0.877 272 Q CB -0.273 28.498 28.738 0.056 0.000 0.963 272 Q HN 0.932 nan 8.270 nan 0.000 0.472 273 T N -1.104 113.418 114.554 -0.053 0.000 2.810 273 T HA 0.542 4.892 4.350 0.001 0.000 0.277 273 T C -0.045 174.589 174.700 -0.109 0.000 0.973 273 T CA -0.494 61.636 62.100 0.049 0.000 0.949 273 T CB 0.762 69.626 68.868 -0.008 0.000 1.075 273 T HN -0.137 nan 8.240 nan 0.000 0.537 274 F N -1.273 118.672 119.950 -0.009 0.000 2.620 274 F HA 0.558 5.086 4.527 0.001 0.000 0.320 274 F C 0.394 176.235 175.800 0.068 0.000 1.069 274 F CA -0.931 57.087 58.000 0.031 0.000 0.953 274 F CB 2.129 41.183 39.000 0.090 0.000 1.322 274 F HN 0.672 nan 8.300 nan 0.000 0.479 275 H N -1.322 117.902 119.070 0.256 0.000 2.855 275 H HA 0.640 5.197 4.556 0.001 0.000 0.363 275 H C -1.276 174.180 175.328 0.213 0.000 1.185 275 H CA -0.920 55.233 56.048 0.175 0.000 1.174 275 H CB 2.319 32.139 29.762 0.096 0.000 1.857 275 H HN 0.469 nan 8.280 nan 0.000 0.565 276 T N 2.238 116.993 114.554 0.334 0.000 2.841 276 T HA 0.418 4.768 4.350 0.001 0.000 0.285 276 T C -0.487 174.250 174.700 0.062 0.000 0.991 276 T CA -0.730 61.514 62.100 0.239 0.000 0.966 276 T CB 1.017 70.148 68.868 0.438 0.000 0.962 276 T HN 0.408 nan 8.240 nan 0.000 0.438 277 R N 1.929 122.454 120.500 0.042 0.000 2.803 277 R HA 0.688 5.029 4.340 0.001 0.000 0.276 277 R C -0.949 175.395 176.300 0.072 0.000 0.978 277 R CA -0.949 55.149 56.100 -0.003 0.000 0.939 277 R CB 2.440 32.748 30.300 0.012 0.000 1.179 277 R HN 0.537 nan 8.270 nan 0.000 0.472 278 I N 2.202 122.822 120.570 0.083 0.000 2.474 278 I HA 0.398 4.569 4.170 0.001 0.000 0.294 278 I C -1.227 175.034 176.117 0.240 0.000 1.005 278 I CA -1.053 60.351 61.300 0.173 0.000 1.113 278 I CB 1.334 39.422 38.000 0.147 0.000 1.289 278 I HN 0.450 nan 8.210 nan 0.000 0.436 279 I N 7.506 128.194 120.570 0.196 0.000 2.441 279 I HA 0.517 4.688 4.170 0.001 0.000 0.295 279 I C -0.171 175.818 176.117 -0.213 0.000 0.994 279 I CA -0.234 61.088 61.300 0.036 0.000 1.144 279 I CB 1.556 39.654 38.000 0.163 0.000 1.314 279 I HN 0.506 nan 8.210 nan 0.000 0.445 280 R N 6.125 126.317 120.500 -0.514 0.000 2.673 280 R HA 0.790 5.131 4.340 0.001 0.000 0.281 280 R C -1.839 174.167 176.300 -0.491 0.000 0.991 280 R CA -0.453 55.148 56.100 -0.832 0.000 0.896 280 R CB 1.783 31.387 30.300 -1.159 0.000 1.201 280 R HN 0.552 nan 8.270 nan 0.000 0.457 281 F N 0.133 119.895 119.950 -0.313 0.000 2.817 281 F HA 0.623 5.151 4.527 0.001 0.000 0.317 281 F C -1.169 174.631 175.800 0.000 0.000 1.168 281 F CA -1.286 56.670 58.000 -0.073 0.000 0.911 281 F CB 0.438 39.445 39.000 0.011 0.000 1.337 281 F HN 0.609 nan 8.300 nan 0.000 0.464 282 C N -0.477 118.976 119.300 0.255 0.000 2.871 282 C HA 0.923 5.383 4.460 0.001 0.000 0.351 282 C C -0.325 174.761 174.990 0.161 0.000 1.338 282 C CA -0.881 58.153 59.018 0.026 0.000 1.686 282 C CB 1.208 28.820 27.740 -0.213 0.000 2.135 282 C HN 1.066 nan 8.230 nan 0.000 0.476 283 S N -0.348 115.411 115.700 0.098 0.000 2.557 283 S HA 0.821 5.292 4.470 0.001 0.000 0.291 283 S C -1.469 173.207 174.600 0.127 0.000 1.116 283 S CA -0.348 57.940 58.200 0.145 0.000 0.992 283 S CB 0.487 63.892 63.200 0.342 0.000 1.028 283 S HN 0.602 nan 8.310 nan 0.000 0.484 284 I N 5.322 125.968 120.570 0.127 0.000 2.503 284 I HA 0.459 4.629 4.170 0.001 0.000 0.282 284 I C 0.640 176.851 176.117 0.157 0.000 1.059 284 I CA -0.043 61.370 61.300 0.189 0.000 1.081 284 I CB 1.275 39.459 38.000 0.307 0.000 1.210 284 I HN 0.955 nan 8.210 nan 0.000 0.450 285 N N 3.107 121.874 118.700 0.111 0.000 3.841 285 N HA -0.288 4.453 4.740 0.001 0.000 0.224 285 N C 0.738 176.266 175.510 0.030 0.000 0.190 285 N CA 1.850 54.943 53.050 0.071 0.000 3.178 285 N CB -0.661 37.865 38.487 0.065 0.000 1.264 285 N HN 0.531 nan 8.380 nan 0.000 0.308 286 S N 0.423 116.132 115.700 0.015 0.000 2.539 286 S HA 0.490 4.961 4.470 0.001 0.000 0.185 286 S C 0.699 175.225 174.600 -0.124 0.000 1.181 286 S CA 0.530 58.711 58.200 -0.031 0.000 1.216 286 S CB 0.273 63.453 63.200 -0.033 0.000 1.476 286 S HN 0.597 nan 8.310 nan 0.000 0.395 287 G N 1.761 110.435 108.800 -0.211 0.000 2.575 287 G HA2 0.069 4.030 3.960 0.001 0.000 0.215 287 G HA3 0.069 4.030 3.960 0.001 0.000 0.215 287 G C 0.407 174.696 174.900 -1.018 0.000 1.262 287 G CA 0.684 45.186 45.100 -0.997 0.000 0.807 287 G HN 0.900 nan 8.290 nan 0.000 0.567 288 L N 0.596 121.529 121.223 -0.483 0.000 3.746 288 L HA -0.162 4.178 4.340 0.001 0.000 0.542 288 L C 0.754 177.487 176.870 -0.227 0.000 1.268 288 L CA 0.461 55.124 54.840 -0.296 0.000 0.818 288 L CB -1.862 39.934 42.059 -0.439 0.000 1.472 288 L HN 0.447 nan 8.230 nan 0.000 0.843 289 H N -1.967 117.173 119.070 0.116 0.000 2.604 289 H HA 0.323 4.880 4.556 0.001 0.000 0.273 289 H C 0.872 176.281 175.328 0.134 0.000 0.971 289 H CA 0.773 56.876 56.048 0.092 0.000 1.249 289 H CB 0.856 30.660 29.762 0.071 0.000 1.449 289 H HN 0.412 nan 8.280 nan 0.000 0.512 290 S N 1.393 117.265 115.700 0.286 0.000 2.514 290 S HA 0.131 4.602 4.470 0.001 0.000 0.179 290 S C -0.713 174.008 174.600 0.201 0.000 1.409 290 S CA -0.451 57.889 58.200 0.233 0.000 1.138 290 S CB -0.310 63.034 63.200 0.240 0.000 1.217 290 S HN 0.239 nan 8.310 nan 0.000 0.493 291 Y N 2.510 122.867 120.300 0.095 0.000 2.335 291 Y HA 0.623 5.173 4.550 0.001 0.000 0.331 291 Y C -0.212 175.712 175.900 0.040 0.000 1.094 291 Y CA -0.109 58.031 58.100 0.066 0.000 1.253 291 Y CB 0.581 39.011 38.460 -0.049 0.000 1.203 291 Y HN 0.472 nan 8.280 nan 0.000 0.508 292 M N 5.002 124.350 119.600 -0.420 0.000 2.373 292 M HA 0.309 4.790 4.480 0.001 0.000 0.290 292 M C -2.043 174.189 176.300 -0.114 0.000 1.143 292 M CA -0.274 54.943 55.300 -0.138 0.000 0.949 292 M CB 1.821 34.383 32.600 -0.064 0.000 1.756 292 M HN 0.643 nan 8.290 nan 0.000 0.494 293 E N 4.376 124.691 120.200 0.190 0.000 2.183 293 E HA 0.638 4.989 4.350 0.001 0.000 0.271 293 E C -1.432 175.420 176.600 0.421 0.000 0.919 293 E CA -0.719 55.839 56.400 0.264 0.000 0.781 293 E CB 2.805 32.658 29.700 0.256 0.000 1.140 293 E HN 0.723 nan 8.360 nan 0.000 0.402 294 M N 3.566 123.358 119.600 0.320 0.000 2.326 294 M HA 0.399 4.879 4.480 0.001 0.000 0.292 294 M C -2.868 173.369 176.300 -0.105 0.000 1.081 294 M CA -2.043 53.308 55.300 0.085 0.000 0.919 294 M CB 2.429 34.845 32.600 -0.307 0.000 1.634 294 M HN 0.111 nan 8.290 nan 0.000 0.451 295 P HA 0.299 nan 4.420 nan 0.000 0.271 295 P C -1.453 175.684 177.300 -0.272 0.000 1.216 295 P CA -0.027 62.870 63.100 -0.339 0.000 0.771 295 P CB 0.489 31.934 31.700 -0.424 0.000 0.864 296 L N 2.949 124.055 121.223 -0.194 0.000 2.381 296 L HA 0.459 4.800 4.340 0.001 0.000 0.274 296 L C 0.291 177.092 176.870 -0.115 0.000 0.988 296 L CA -0.397 54.321 54.840 -0.203 0.000 0.824 296 L CB 2.039 43.910 42.059 -0.314 0.000 1.263 296 L HN 0.271 nan 8.230 nan 0.000 0.410 297 E N 1.721 121.841 120.200 -0.134 0.000 2.210 297 E HA 0.301 4.652 4.350 0.001 0.000 0.266 297 E C -1.532 174.899 176.600 -0.281 0.000 0.883 297 E CA -0.537 55.721 56.400 -0.238 0.000 0.761 297 E CB 2.852 32.503 29.700 -0.082 0.000 1.156 297 E HN 0.490 nan 8.360 nan 0.000 0.412 298 c N 5.734 123.998 118.600 -0.560 0.000 2.239 298 c HA 0.552 5.123 4.570 0.001 0.000 0.323 298 c C -0.381 173.675 174.090 -0.056 0.000 1.205 298 c CA -0.614 55.523 56.329 -0.320 0.000 1.584 298 c CB -1.778 40.492 42.510 -0.400 0.000 2.201 298 c HN 0.618 nan 8.230 nan 0.000 0.475 299 I N 4.882 125.443 120.570 -0.015 0.000 2.607 299 I HA 0.741 4.912 4.170 0.001 0.000 0.305 299 I C -0.628 175.538 176.117 0.081 0.000 0.995 299 I CA -0.490 60.865 61.300 0.092 0.000 1.148 299 I CB 0.863 38.891 38.000 0.046 0.000 1.323 299 I HN 0.398 nan 8.210 nan 0.000 0.461 300 L N 3.785 125.111 121.223 0.173 0.000 2.387 300 L HA 0.654 4.995 4.340 0.001 0.000 0.266 300 L C 0.407 177.323 176.870 0.076 0.000 1.059 300 L CA 0.263 55.175 54.840 0.121 0.000 0.801 300 L CB 1.473 43.668 42.059 0.227 0.000 1.223 300 L HN 0.964 nan 8.230 nan 0.000 0.456 312 E N 1.632 121.873 120.200 0.068 0.000 2.171 312 E HA 0.402 4.753 4.350 0.001 0.000 0.271 312 E C -0.879 175.770 176.600 0.081 0.000 0.916 312 E CA -0.861 55.566 56.400 0.045 0.000 0.774 312 E CB 1.632 31.365 29.700 0.055 0.000 1.128 312 E HN 0.059 nan 8.360 nan 0.000 0.403 313 V N 4.835 124.742 119.914 -0.011 0.000 2.427 313 V HA 0.325 4.446 4.120 0.001 0.000 0.286 313 V C -0.571 175.490 176.094 -0.056 0.000 1.034 313 V CA -0.464 61.858 62.300 0.038 0.000 0.893 313 V CB 0.827 32.662 31.823 0.021 0.000 0.982 313 V HN 0.601 nan 8.190 nan 0.000 0.452 314 F N 4.820 124.785 119.950 0.025 0.000 2.308 314 F HA 0.362 4.889 4.527 0.001 0.000 0.370 314 F C 1.188 177.079 175.800 0.152 0.000 1.100 314 F CA -0.646 57.417 58.000 0.104 0.000 1.108 314 F CB 1.069 40.155 39.000 0.143 0.000 1.293 314 F HN 0.640 nan 8.300 nan 0.000 0.478 315 N N 1.637 120.525 118.700 0.315 0.000 2.325 315 N HA 0.079 4.820 4.740 0.001 0.000 0.182 315 N C -0.102 175.718 175.510 0.517 0.000 1.088 315 N CA 0.371 53.631 53.050 0.351 0.000 0.879 315 N CB 0.423 39.047 38.487 0.229 0.000 0.983 315 N HN 0.282 nan 8.380 nan 0.000 0.471 316 I N 2.089 122.942 120.570 0.473 0.000 2.330 316 I HA 0.203 4.374 4.170 0.001 0.000 0.286 316 I C -0.521 175.650 176.117 0.091 0.000 1.025 316 I CA -1.146 60.323 61.300 0.283 0.000 1.197 316 I CB 1.153 39.247 38.000 0.157 0.000 1.358 316 I HN -0.000 nan 8.210 nan 0.000 0.467 317 L N 7.394 128.482 121.223 -0.226 0.000 2.559 317 L HA 0.048 4.389 4.340 0.001 0.000 0.274 317 L C 1.129 177.867 176.870 -0.219 0.000 1.205 317 L CA 1.090 55.560 54.840 -0.617 0.000 0.907 317 L CB 0.240 41.969 42.059 -0.551 0.000 1.153 317 L HN 0.613 nan 8.230 nan 0.000 0.490 318 Q N 4.439 124.131 119.800 -0.181 0.000 2.442 318 Q HA 0.458 4.798 4.340 0.001 0.000 0.228 318 Q C 0.023 176.001 176.000 -0.036 0.000 0.902 318 Q CA 0.875 56.644 55.803 -0.057 0.000 0.933 318 Q CB 0.568 29.296 28.738 -0.018 0.000 1.071 318 Q HN 0.771 nan 8.270 nan 0.000 0.562 319 A N -0.072 122.708 122.820 -0.066 0.000 2.602 319 A HA 0.834 5.155 4.320 0.001 0.000 0.290 319 A C -1.702 175.841 177.584 -0.068 0.000 1.114 319 A CA -0.013 52.007 52.037 -0.028 0.000 0.683 319 A CB 1.702 20.701 19.000 -0.002 0.000 1.281 319 A HN 0.085 nan 8.150 nan 0.000 0.416 320 A N -0.089 122.673 122.820 -0.097 0.000 2.518 320 A HA 0.606 4.927 4.320 0.001 0.000 0.295 320 A C -1.654 175.735 177.584 -0.324 0.000 1.052 320 A CA -0.199 51.732 52.037 -0.176 0.000 0.824 320 A CB 0.238 19.108 19.000 -0.217 0.000 1.325 320 A HN 1.993 nan 8.150 nan 0.000 0.394 321 Y N 1.724 121.891 120.300 -0.223 0.000 2.536 321 Y HA 0.733 5.283 4.550 0.001 0.000 0.347 321 Y C -1.143 174.689 175.900 -0.115 0.000 1.000 321 Y CA -0.867 57.137 58.100 -0.161 0.000 1.051 321 Y CB 2.146 40.608 38.460 0.002 0.000 1.259 321 Y HN 0.622 nan 8.280 nan 0.000 0.468 322 V N 5.167 124.668 119.914 -0.688 0.000 2.525 322 V HA 0.677 4.798 4.120 0.001 0.000 0.299 322 V C -0.908 174.927 176.094 -0.432 0.000 1.034 322 V CA 0.027 62.003 62.300 -0.541 0.000 0.863 322 V CB 1.078 32.421 31.823 -0.800 0.000 0.999 322 V HN 0.931 nan 8.190 nan 0.000 0.423 323 S N 4.732 120.395 115.700 -0.061 0.000 2.755 323 S HA 0.654 5.125 4.470 0.001 0.000 0.286 323 S C -1.376 173.302 174.600 0.130 0.000 1.207 323 S CA -1.194 57.052 58.200 0.077 0.000 0.892 323 S CB 1.648 65.031 63.200 0.305 0.000 1.240 323 S HN 0.335 nan 8.310 nan 0.000 0.525 324 K N 1.389 121.879 120.400 0.150 0.000 2.126 324 K HA 0.651 4.971 4.320 0.001 0.000 0.257 324 K C -2.763 173.947 176.600 0.183 0.000 1.007 324 K CA -2.087 54.272 56.287 0.120 0.000 0.928 324 K CB -0.030 32.521 32.500 0.085 0.000 1.013 324 K HN 0.470 nan 8.250 nan 0.000 0.473 325 P HA 0.228 nan 4.420 nan 0.000 0.293 325 P C -0.139 177.203 177.300 0.070 0.000 1.291 325 P CA -0.643 62.541 63.100 0.140 0.000 0.867 325 P CB 1.053 32.814 31.700 0.102 0.000 1.074 326 G N 1.027 109.851 108.800 0.040 0.000 2.614 326 G HA2 0.267 4.228 3.960 0.001 0.000 0.239 326 G HA3 0.267 4.228 3.960 0.001 0.000 0.239 326 G C 1.198 176.105 174.900 0.013 0.000 1.240 326 G CA 0.070 45.177 45.100 0.012 0.000 0.842 326 G HN 0.494 nan 8.290 nan 0.000 0.584 327 A N 0.230 123.055 122.820 0.009 0.000 1.940 327 A HA -0.138 4.183 4.320 0.001 0.000 0.219 327 A C 2.202 179.785 177.584 -0.000 0.000 1.176 327 A CA 2.105 54.145 52.037 0.006 0.000 0.631 327 A CB -0.568 18.436 19.000 0.007 0.000 0.814 327 A HN 0.756 nan 8.150 nan 0.000 0.446 328 Q N -0.762 119.036 119.800 -0.004 0.000 1.942 328 Q HA -0.166 4.175 4.340 0.001 0.000 0.203 328 Q C 2.096 178.088 176.000 -0.013 0.000 0.987 328 Q CA 1.543 57.340 55.803 -0.009 0.000 0.844 328 Q CB -0.326 28.405 28.738 -0.011 0.000 0.911 328 Q HN 0.556 nan 8.270 nan 0.000 0.423 329 L N 0.666 121.882 121.223 -0.011 0.000 2.103 329 L HA -0.258 4.083 4.340 0.001 0.000 0.215 329 L C 2.193 179.057 176.870 -0.010 0.000 1.080 329 L CA 2.356 57.191 54.840 -0.008 0.000 0.764 329 L CB -1.365 40.703 42.059 0.015 0.000 0.890 329 L HN 0.397 nan 8.230 nan 0.000 0.435 330 A N 0.055 122.874 122.820 -0.002 0.000 1.845 330 A HA -0.256 4.064 4.320 0.001 0.000 0.215 330 A C 2.261 179.830 177.584 -0.025 0.000 1.195 330 A CA 1.746 53.777 52.037 -0.010 0.000 0.616 330 A CB -0.627 18.373 19.000 0.001 0.000 0.832 330 A HN 0.468 nan 8.150 nan 0.000 0.443 331 R N -0.548 119.940 120.500 -0.020 0.000 2.140 331 R HA -0.250 4.090 4.340 0.001 0.000 0.250 331 R C 2.486 178.765 176.300 -0.036 0.000 1.150 331 R CA 2.155 58.241 56.100 -0.024 0.000 0.966 331 R CB -0.401 29.887 30.300 -0.019 0.000 0.869 331 R HN 0.730 nan 8.270 nan 0.000 0.445 332 Q N 0.069 119.844 119.800 -0.041 0.000 2.079 332 Q HA -0.084 4.257 4.340 0.001 0.000 0.200 332 Q C 2.054 178.008 176.000 -0.076 0.000 0.974 332 Q CA 1.405 57.176 55.803 -0.054 0.000 0.840 332 Q CB -0.005 28.700 28.738 -0.055 0.000 0.898 332 Q HN 0.557 nan 8.270 nan 0.000 0.430 333 I N -3.782 116.738 120.570 -0.084 0.000 3.883 333 I HA 0.373 4.543 4.170 0.001 0.000 0.326 333 I C 0.620 176.665 176.117 -0.120 0.000 1.283 333 I CA 0.481 61.706 61.300 -0.125 0.000 1.161 333 I CB -0.022 37.895 38.000 -0.139 0.000 1.012 333 I HN 0.210 nan 8.210 nan 0.000 0.421 334 G N 2.086 110.838 108.800 -0.079 0.000 2.246 334 G HA2 -0.156 3.804 3.960 0.001 0.000 0.273 334 G HA3 -0.156 3.804 3.960 0.001 0.000 0.273 334 G C 0.139 175.011 174.900 -0.047 0.000 1.055 334 G CA 0.219 45.282 45.100 -0.061 0.000 0.851 334 G HN 0.973 nan 8.290 nan 0.000 0.500 335 A N -0.767 122.029 122.820 -0.040 0.000 2.330 335 A HA 0.950 5.270 4.320 0.001 0.000 0.329 335 A C 0.480 178.059 177.584 -0.008 0.000 1.135 335 A CA 0.563 52.587 52.037 -0.023 0.000 0.817 335 A CB 1.595 20.578 19.000 -0.029 0.000 1.269 335 A HN 1.800 nan 8.150 nan 0.000 0.469 336 S N 0.076 115.777 115.700 0.002 0.000 2.687 336 S HA 0.420 4.890 4.470 0.001 0.000 0.283 336 S C 0.734 175.342 174.600 0.014 0.000 1.170 336 S CA -0.604 57.601 58.200 0.009 0.000 1.008 336 S CB 0.511 63.718 63.200 0.013 0.000 1.026 336 S HN 0.541 nan 8.310 nan 0.000 0.541 337 L N 2.688 123.921 121.223 0.017 0.000 2.191 337 L HA -0.029 4.312 4.340 0.001 0.000 0.212 337 L C 1.818 178.705 176.870 0.028 0.000 1.103 337 L CA 1.807 56.661 54.840 0.023 0.000 0.769 337 L CB -1.646 40.426 42.059 0.021 0.000 0.908 337 L HN 0.914 nan 8.230 nan 0.000 0.438 338 N N -2.130 116.584 118.700 0.025 0.000 2.336 338 N HA -0.025 4.715 4.740 0.001 0.000 0.189 338 N C -0.006 175.519 175.510 0.024 0.000 1.113 338 N CA -0.092 52.974 53.050 0.027 0.000 0.858 338 N CB -0.466 38.037 38.487 0.026 0.000 0.970 338 N HN 0.096 nan 8.380 nan 0.000 0.471 339 D N 1.140 121.552 120.400 0.020 0.000 2.389 339 D HA 0.106 4.746 4.640 0.001 0.000 0.247 339 D C -0.478 175.819 176.300 -0.005 0.000 1.128 339 D CA 0.215 54.222 54.000 0.011 0.000 0.884 339 D CB 0.571 41.375 40.800 0.007 0.000 1.194 339 D HN 0.100 nan 8.370 nan 0.000 0.441 340 D N 1.374 121.761 120.400 -0.021 0.000 2.302 340 D HA 0.288 4.929 4.640 0.001 0.000 0.248 340 D C 0.103 176.323 176.300 -0.134 0.000 1.094 340 D CA -0.127 53.829 54.000 -0.072 0.000 0.897 340 D CB 1.006 41.763 40.800 -0.072 0.000 1.200 340 D HN 0.142 nan 8.370 nan 0.000 0.429 341 I N 2.011 122.442 120.570 -0.230 0.000 2.730 341 I HA 0.231 4.402 4.170 0.001 0.000 0.298 341 I C -0.486 175.283 176.117 -0.579 0.000 1.089 341 I CA -0.907 60.147 61.300 -0.409 0.000 1.041 341 I CB 1.817 39.483 38.000 -0.557 0.000 1.235 341 I HN 0.153 nan 8.210 nan 0.000 0.423 342 L N 6.036 126.960 121.223 -0.499 0.000 2.272 342 L HA 0.488 4.829 4.340 0.001 0.000 0.284 342 L C -1.210 175.465 176.870 -0.325 0.000 1.045 342 L CA 0.109 54.734 54.840 -0.357 0.000 0.842 342 L CB -0.051 41.946 42.059 -0.103 0.000 1.224 342 L HN 0.235 nan 8.230 nan 0.000 0.430 343 F N 4.937 124.900 119.950 0.022 0.000 2.404 343 F HA 0.622 5.149 4.527 0.001 0.000 0.359 343 F C 0.828 176.666 175.800 0.064 0.000 1.134 343 F CA -0.243 57.787 58.000 0.051 0.000 1.160 343 F CB 0.775 39.809 39.000 0.056 0.000 1.186 343 F HN 0.623 nan 8.300 nan 0.000 0.526 344 A N 3.352 126.331 122.820 0.264 0.000 2.342 344 A HA 0.760 5.080 4.320 0.001 0.000 0.323 344 A C -1.005 176.707 177.584 0.214 0.000 1.125 344 A CA -0.710 51.444 52.037 0.196 0.000 0.785 344 A CB 1.269 20.461 19.000 0.320 0.000 1.221 344 A HN 0.473 nan 8.150 nan 0.000 0.463 345 V N 3.342 123.288 119.914 0.053 0.000 2.350 345 V HA 0.420 4.541 4.120 0.001 0.000 0.276 345 V C -0.848 175.241 176.094 -0.010 0.000 1.028 345 V CA 0.010 62.360 62.300 0.084 0.000 0.860 345 V CB 0.335 32.171 31.823 0.022 0.000 0.990 345 V HN 0.729 nan 8.190 nan 0.000 0.453 346 F N 2.957 122.977 119.950 0.117 0.000 2.440 346 F HA 0.827 5.355 4.527 0.001 0.000 0.328 346 F C 0.565 176.517 175.800 0.254 0.000 1.070 346 F CA -0.397 57.714 58.000 0.184 0.000 1.011 346 F CB 1.733 40.876 39.000 0.237 0.000 1.226 346 F HN 0.512 nan 8.300 nan 0.000 0.491 347 A N 1.185 124.297 122.820 0.487 0.000 2.423 347 A HA 0.549 4.869 4.320 0.001 0.000 0.304 347 A C -1.157 176.667 177.584 0.401 0.000 1.104 347 A CA -0.785 51.539 52.037 0.479 0.000 0.757 347 A CB 1.437 20.582 19.000 0.242 0.000 1.313 347 A HN 0.699 nan 8.150 nan 0.000 0.423 348 Q N 1.182 121.079 119.800 0.162 0.000 2.307 348 Q HA 0.413 4.754 4.340 0.001 0.000 0.259 348 Q C 0.330 176.312 176.000 -0.030 0.000 0.998 348 Q CA -0.226 55.467 55.803 -0.183 0.000 0.923 348 Q CB 0.548 28.964 28.738 -0.535 0.000 1.196 348 Q HN 0.900 nan 8.270 nan 0.000 0.416 349 S N 3.620 119.323 115.700 0.005 0.000 2.614 349 S HA 0.284 4.755 4.470 0.001 0.000 0.265 349 S C -0.020 174.578 174.600 -0.004 0.000 1.303 349 S CA -0.705 57.506 58.200 0.018 0.000 1.000 349 S CB 1.102 64.331 63.200 0.048 0.000 0.935 349 S HN 0.584 nan 8.310 nan 0.000 0.551 350 K N 0.880 121.276 120.400 -0.006 0.000 2.156 350 K HA 0.259 4.579 4.320 0.001 0.000 0.242 350 K C -2.531 174.077 176.600 0.014 0.000 1.033 350 K CA -1.465 54.819 56.287 -0.004 0.000 0.878 350 K CB -0.602 31.892 32.500 -0.010 0.000 1.057 350 K HN 0.433 nan 8.250 nan 0.000 0.505 351 P HA -0.041 nan 4.420 nan 0.000 0.264 351 P C -0.981 176.357 177.300 0.063 0.000 1.193 351 P CA 0.423 63.543 63.100 0.033 0.000 0.763 351 P CB 0.203 31.917 31.700 0.023 0.000 0.810 352 D N -0.340 120.119 120.400 0.098 0.000 2.739 352 D HA -0.180 4.461 4.640 0.001 0.000 0.230 352 D C 0.149 176.585 176.300 0.227 0.000 1.167 352 D CA 1.359 55.458 54.000 0.166 0.000 0.640 352 D CB -0.949 39.926 40.800 0.124 0.000 1.045 352 D HN 0.317 nan 8.370 nan 0.000 0.421 353 S N -2.026 113.772 115.700 0.162 0.000 2.732 353 S HA 0.795 5.265 4.470 0.001 0.000 0.293 353 S C 0.176 174.605 174.600 -0.285 0.000 1.159 353 S CA 0.082 58.263 58.200 -0.032 0.000 0.847 353 S CB 2.037 65.204 63.200 -0.055 0.000 1.169 353 S HN 0.087 nan 8.310 nan 0.000 0.501 354 A N 0.587 123.032 122.820 -0.624 0.000 2.469 354 A HA 0.434 4.754 4.320 0.001 0.000 0.245 354 A C 0.152 177.573 177.584 -0.270 0.000 1.221 354 A CA -0.207 51.444 52.037 -0.642 0.000 0.946 354 A CB -0.153 18.161 19.000 -1.144 0.000 1.049 354 A HN 0.745 nan 8.150 nan 0.000 0.529 355 E N 1.346 121.431 120.200 -0.192 0.000 2.390 355 E HA 0.305 4.655 4.350 0.001 0.000 0.261 355 E C -2.581 173.990 176.600 -0.048 0.000 1.076 355 E CA -1.630 54.712 56.400 -0.097 0.000 0.905 355 E CB 0.458 30.113 29.700 -0.074 0.000 0.984 355 E HN 0.227 nan 8.360 nan 0.000 0.427 356 P HA 0.235 nan 4.420 nan 0.000 0.293 356 P C -0.835 176.475 177.300 0.017 0.000 1.291 356 P CA -0.442 62.668 63.100 0.017 0.000 0.867 356 P CB 0.966 32.686 31.700 0.034 0.000 1.074 357 M N 0.618 120.235 119.600 0.028 0.000 2.513 357 M HA 0.286 4.766 4.480 0.001 0.000 0.291 357 M C 0.251 176.584 176.300 0.055 0.000 1.190 357 M CA -0.496 54.821 55.300 0.027 0.000 0.960 357 M CB 0.462 33.069 32.600 0.012 0.000 1.517 357 M HN 0.170 nan 8.290 nan 0.000 0.499 358 D N 2.454 122.884 120.400 0.052 0.000 2.885 358 D HA 0.133 4.774 4.640 0.001 0.000 0.234 358 D C -0.544 175.823 176.300 0.111 0.000 1.129 358 D CA 0.432 54.473 54.000 0.068 0.000 0.991 358 D CB -0.298 40.530 40.800 0.046 0.000 1.137 358 D HN 0.288 nan 8.370 nan 0.000 0.459 359 R N 0.289 120.888 120.500 0.166 0.000 2.518 359 R HA 0.375 4.716 4.340 0.001 0.000 0.296 359 R C -0.793 175.823 176.300 0.527 0.000 1.080 359 R CA -0.500 55.774 56.100 0.289 0.000 0.922 359 R CB 1.766 32.185 30.300 0.198 0.000 1.184 359 R HN -0.087 nan 8.270 nan 0.000 0.445 360 S N 0.974 116.931 115.700 0.429 0.000 2.600 360 S HA 0.920 5.390 4.470 0.001 0.000 0.300 360 S C -0.836 173.692 174.600 -0.120 0.000 1.087 360 S CA -0.721 57.632 58.200 0.254 0.000 0.965 360 S CB 2.192 65.473 63.200 0.135 0.000 1.089 360 S HN 0.718 nan 8.310 nan 0.000 0.496 361 A N 1.742 124.405 122.820 -0.262 0.000 2.588 361 A HA 0.923 5.244 4.320 0.001 0.000 0.290 361 A C -1.610 175.992 177.584 0.030 0.000 1.136 361 A CA -0.603 51.218 52.037 -0.359 0.000 0.681 361 A CB 1.852 20.176 19.000 -1.128 0.000 1.282 361 A HN 0.670 nan 8.150 nan 0.000 0.421 362 M N 0.459 120.098 119.600 0.065 0.000 2.365 362 M HA 0.575 5.055 4.480 0.001 0.000 0.288 362 M C -1.858 174.416 176.300 -0.043 0.000 1.152 362 M CA -0.308 55.063 55.300 0.119 0.000 0.948 362 M CB 1.123 33.857 32.600 0.224 0.000 1.729 362 M HN 1.353 nan 8.290 nan 0.000 0.487 363 c N 1.303 119.904 118.600 0.001 0.000 3.332 363 c HA 1.017 5.588 4.570 0.001 0.000 0.329 363 c C -0.281 173.703 174.090 -0.176 0.000 1.434 363 c CA -1.046 55.176 56.329 -0.178 0.000 1.314 363 c CB 1.171 43.482 42.510 -0.331 0.000 1.664 363 c HN 1.050 nan 8.230 nan 0.000 0.457 364 A N 0.211 122.828 122.820 -0.339 0.000 2.318 364 A HA 0.867 5.188 4.320 0.001 0.000 0.324 364 A C -1.353 175.916 177.584 -0.525 0.000 1.170 364 A CA -0.217 51.610 52.037 -0.349 0.000 0.810 364 A CB 0.337 19.179 19.000 -0.264 0.000 1.198 364 A HN 0.719 nan 8.150 nan 0.000 0.484 365 F N 3.024 122.860 119.950 -0.190 0.000 2.403 365 F HA 0.404 4.932 4.527 0.001 0.000 0.355 365 F C -2.302 173.421 175.800 -0.129 0.000 1.119 365 F CA -2.126 55.823 58.000 -0.085 0.000 1.007 365 F CB 2.177 41.160 39.000 -0.030 0.000 1.194 365 F HN 0.310 nan 8.300 nan 0.000 0.443 366 P HA 0.094 nan 4.420 nan 0.000 0.271 366 P C 0.771 178.149 177.300 0.129 0.000 1.226 366 P CA -0.019 63.107 63.100 0.043 0.000 0.765 366 P CB 0.812 32.534 31.700 0.036 0.000 0.835 367 I N 3.869 124.459 120.570 0.033 0.000 2.118 367 I HA -0.284 3.887 4.170 0.001 0.000 0.241 367 I C 2.061 178.240 176.117 0.104 0.000 1.070 367 I CA 1.849 63.166 61.300 0.028 0.000 1.327 367 I CB -0.697 37.282 38.000 -0.035 0.000 1.034 367 I HN 0.383 nan 8.210 nan 0.000 0.405 368 K N -1.109 119.357 120.400 0.109 0.000 2.103 368 K HA -0.269 4.052 4.320 0.001 0.000 0.207 368 K C 2.277 178.977 176.600 0.166 0.000 1.048 368 K CA 1.770 58.130 56.287 0.121 0.000 0.930 368 K CB -0.535 32.024 32.500 0.098 0.000 0.716 368 K HN 0.270 nan 8.250 nan 0.000 0.444 369 Y N 1.643 121.984 120.300 0.068 0.000 2.114 369 Y HA -0.285 4.266 4.550 0.001 0.000 0.282 369 Y C 2.076 178.110 175.900 0.224 0.000 1.165 369 Y CA 1.101 59.275 58.100 0.124 0.000 1.148 369 Y CB -0.580 37.955 38.460 0.125 0.000 0.972 369 Y HN -0.229 nan 8.280 nan 0.000 0.504 370 V N 1.070 121.054 119.914 0.116 0.000 2.261 370 V HA -0.346 3.775 4.120 0.001 0.000 0.246 370 V C 2.080 178.202 176.094 0.048 0.000 1.047 370 V CA 2.336 64.623 62.300 -0.021 0.000 1.015 370 V CB -0.712 31.128 31.823 0.029 0.000 0.642 370 V HN 0.469 nan 8.190 nan 0.000 0.446 371 N N -0.004 118.791 118.700 0.159 0.000 2.364 371 N HA -0.178 4.563 4.740 0.001 0.000 0.183 371 N C 1.500 177.063 175.510 0.088 0.000 1.022 371 N CA 1.469 54.629 53.050 0.183 0.000 0.883 371 N CB -0.483 38.055 38.487 0.086 0.000 0.965 371 N HN 0.561 nan 8.380 nan 0.000 0.438 372 D N -0.572 119.828 120.400 -0.001 0.000 2.178 372 D HA -0.060 4.580 4.640 0.001 0.000 0.201 372 D C 1.326 177.459 176.300 -0.279 0.000 0.980 372 D CA 0.878 54.786 54.000 -0.152 0.000 0.842 372 D CB 0.006 40.653 40.800 -0.255 0.000 0.948 372 D HN 0.179 nan 8.370 nan 0.000 0.472 373 F N -1.177 118.621 119.950 -0.253 0.000 2.317 373 F HA 0.157 4.684 4.527 0.001 0.000 0.293 373 F C 1.820 177.503 175.800 -0.194 0.000 1.085 373 F CA 0.272 58.071 58.000 -0.334 0.000 1.390 373 F CB -0.435 38.191 39.000 -0.625 0.000 1.077 373 F HN -0.066 nan 8.300 nan 0.000 0.517 374 F N 0.616 120.597 119.950 0.051 0.000 2.373 374 F HA -0.197 4.331 4.527 0.001 0.000 0.300 374 F C 0.904 176.798 175.800 0.156 0.000 1.080 374 F CA 0.515 58.608 58.000 0.155 0.000 1.417 374 F CB -0.232 38.785 39.000 0.028 0.000 1.070 374 F HN -0.023 nan 8.300 nan 0.000 0.546 375 N N 0.120 118.962 118.700 0.238 0.000 2.328 375 N HA 0.146 4.887 4.740 0.001 0.000 0.247 375 N C -0.490 175.081 175.510 0.101 0.000 1.165 375 N CA 0.109 53.245 53.050 0.144 0.000 0.873 375 N CB 0.337 38.870 38.487 0.078 0.000 1.125 375 N HN 0.182 nan 8.380 nan 0.000 0.513 376 K N 0.038 120.530 120.400 0.153 0.000 2.372 376 K HA 0.628 4.948 4.320 0.001 0.000 0.251 376 K C -0.485 176.226 176.600 0.186 0.000 1.055 376 K CA -0.860 55.495 56.287 0.113 0.000 0.879 376 K CB 2.103 34.623 32.500 0.033 0.000 1.384 376 K HN -0.031 nan 8.250 nan 0.000 0.465 383 V N 2.283 122.170 119.914 -0.045 0.000 2.971 383 V HA 0.764 4.884 4.120 0.001 0.000 0.309 383 V C -1.023 175.037 176.094 -0.056 0.000 1.130 383 V CA -0.486 61.735 62.300 -0.132 0.000 0.964 383 V CB 2.116 33.743 31.823 -0.327 0.000 1.029 383 V HN 0.655 nan 8.190 nan 0.000 0.427 384 R N 2.857 123.348 120.500 -0.014 0.000 2.960 384 R HA 0.808 5.149 4.340 0.001 0.000 0.249 384 R C -0.745 175.614 176.300 0.098 0.000 1.192 384 R CA -0.119 56.004 56.100 0.037 0.000 1.035 384 R CB 1.757 32.092 30.300 0.059 0.000 1.234 384 R HN 1.041 nan 8.270 nan 0.000 0.493 385 C N 2.233 121.628 119.300 0.158 0.000 2.225 385 C HA 0.432 4.893 4.460 0.001 0.000 0.328 385 C C 0.334 175.575 174.990 0.418 0.000 1.187 385 C CA -1.186 58.023 59.018 0.319 0.000 1.665 385 C CB -0.951 26.915 27.740 0.209 0.000 2.253 385 C HN 0.813 nan 8.230 nan 0.000 0.497 386 L N 3.193 124.644 121.223 0.379 0.000 3.409 386 L HA -0.169 4.172 4.340 0.001 0.000 0.366 386 L C 1.522 178.481 176.870 0.149 0.000 0.947 386 L CA 1.065 56.030 54.840 0.207 0.000 0.866 386 L CB -0.306 41.786 42.059 0.056 0.000 1.397 386 L HN 0.861 nan 8.230 nan 0.000 0.622 387 Q N 2.474 122.351 119.800 0.129 0.000 2.079 387 Q HA -0.179 4.161 4.340 0.001 0.000 0.200 387 Q C 1.657 177.696 176.000 0.066 0.000 0.974 387 Q CA 2.345 58.206 55.803 0.098 0.000 0.840 387 Q CB -0.166 28.597 28.738 0.040 0.000 0.898 387 Q HN 0.981 nan 8.270 nan 0.000 0.430 388 H N -2.597 116.520 119.070 0.079 0.000 2.563 388 H HA 0.031 4.588 4.556 0.001 0.000 0.272 388 H C 1.185 176.639 175.328 0.211 0.000 1.005 388 H CA 0.743 56.858 56.048 0.113 0.000 1.171 388 H CB -0.175 29.643 29.762 0.095 0.000 1.351 388 H HN 0.223 nan 8.280 nan 0.000 0.602 389 F N 0.077 119.793 119.950 -0.390 0.000 2.479 389 F HA 0.129 4.656 4.527 0.001 0.000 0.280 389 F C 1.131 176.752 175.800 -0.298 0.000 0.982 389 F CA 0.053 57.790 58.000 -0.439 0.000 1.276 389 F CB -0.304 38.236 39.000 -0.767 0.000 1.137 389 F HN 0.015 nan 8.300 nan 0.000 0.660 390 Y N 0.748 120.942 120.300 -0.176 0.000 2.231 390 Y HA 0.434 4.985 4.550 0.001 0.000 0.294 390 Y C 1.492 177.346 175.900 -0.076 0.000 1.120 390 Y CA 0.662 58.620 58.100 -0.237 0.000 1.141 390 Y CB -0.799 37.591 38.460 -0.118 0.000 1.022 390 Y HN 0.199 nan 8.280 nan 0.000 0.523 391 G N -0.856 108.064 108.800 0.200 0.000 2.479 391 G HA2 -0.123 3.838 3.960 0.001 0.000 0.686 391 G HA3 -0.123 3.838 3.960 0.001 0.000 0.686 391 G C -2.339 172.650 174.900 0.148 0.000 1.295 391 G CA -0.652 44.580 45.100 0.219 0.000 0.922 391 G HN -0.066 nan 8.290 nan 0.000 0.582 392 P HA 0.034 nan 4.420 nan 0.000 0.226 392 P C 0.583 177.915 177.300 0.053 0.000 1.146 392 P CA 1.877 65.017 63.100 0.067 0.000 0.773 392 P CB -0.114 31.620 31.700 0.056 0.000 0.772 415 E N 0.979 121.240 120.200 0.103 0.000 2.406 415 E HA 0.082 4.433 4.350 0.001 0.000 0.258 415 E C -0.726 175.982 176.600 0.180 0.000 1.043 415 E CA 0.276 56.769 56.400 0.154 0.000 0.929 415 E CB -0.055 29.733 29.700 0.148 0.000 0.969 415 E HN 0.329 nan 8.360 nan 0.000 0.462 416 Y N 2.387 122.778 120.300 0.151 0.000 2.377 416 Y HA 0.077 4.628 4.550 0.001 0.000 0.330 416 Y C 0.677 176.709 175.900 0.221 0.000 1.108 416 Y CA 0.119 58.351 58.100 0.220 0.000 1.308 416 Y CB 0.698 39.241 38.460 0.140 0.000 1.216 416 Y HN 0.150 nan 8.280 nan 0.000 0.518 417 R N 2.061 122.777 120.500 0.359 0.000 2.215 417 R HA 0.336 4.677 4.340 0.001 0.000 0.336 417 R C 0.085 176.618 176.300 0.389 0.000 0.996 417 R CA -0.495 55.721 56.100 0.193 0.000 0.847 417 R CB 1.141 31.172 30.300 -0.447 0.000 1.127 417 R HN 0.661 nan 8.270 nan 0.000 0.465 418 T N 0.133 114.912 114.554 0.375 0.000 2.804 418 T HA 0.639 4.990 4.350 0.001 0.000 0.272 418 T C -1.245 173.583 174.700 0.213 0.000 0.986 418 T CA -0.577 61.696 62.100 0.287 0.000 0.999 418 T CB 1.175 70.144 68.868 0.167 0.000 1.307 418 T HN 0.602 nan 8.240 nan 0.000 0.586 419 E N -0.000 120.255 120.200 0.092 0.000 2.388 419 E HA 0.354 4.705 4.350 0.001 0.000 0.282 419 E C -1.847 174.743 176.600 -0.017 0.000 1.026 419 E CA -0.628 55.843 56.400 0.118 0.000 0.820 419 E CB 1.095 30.908 29.700 0.189 0.000 1.226 419 E HN 0.500 nan 8.360 nan 0.000 0.432 420 F N 0.960 120.976 119.950 0.110 0.000 2.377 420 F HA 0.297 4.825 4.527 0.001 0.000 0.328 420 F C 1.456 177.284 175.800 0.047 0.000 1.094 420 F CA 0.030 58.065 58.000 0.057 0.000 1.093 420 F CB 1.919 40.916 39.000 -0.004 0.000 1.214 420 F HN 0.498 nan 8.300 nan 0.000 0.518 421 T N -1.974 112.722 114.554 0.237 0.000 3.308 421 T HA 0.372 4.723 4.350 0.001 0.000 0.270 421 T C -0.600 174.176 174.700 0.126 0.000 0.992 421 T CA -0.343 61.849 62.100 0.152 0.000 0.931 421 T CB -0.759 68.171 68.868 0.102 0.000 1.142 421 T HN 0.615 nan 8.240 nan 0.000 0.525 422 T N -0.346 114.277 114.554 0.115 0.000 3.579 422 T HA 0.642 4.993 4.350 0.001 0.000 0.360 422 T C -0.462 174.218 174.700 -0.033 0.000 1.285 422 T CA -0.885 61.245 62.100 0.050 0.000 1.127 422 T CB 0.738 69.629 68.868 0.039 0.000 1.244 422 T HN 0.458 nan 8.240 nan 0.000 0.476 423 A N 3.297 126.092 122.820 -0.042 0.000 2.401 423 A HA 0.678 4.998 4.320 0.001 0.000 0.259 423 A C 0.422 177.888 177.584 -0.197 0.000 1.103 423 A CA -0.695 51.268 52.037 -0.123 0.000 0.789 423 A CB 0.218 19.184 19.000 -0.056 0.000 1.035 423 A HN 1.034 nan 8.150 nan 0.000 0.491 424 L N 2.317 123.345 121.223 -0.325 0.000 2.456 424 L HA 0.328 4.669 4.340 0.001 0.000 0.272 424 L C 0.279 177.069 176.870 -0.133 0.000 1.189 424 L CA -0.021 54.596 54.840 -0.372 0.000 0.846 424 L CB 0.547 42.263 42.059 -0.572 0.000 1.111 424 L HN 0.911 nan 8.230 nan 0.000 0.475 425 Q N 4.292 124.057 119.800 -0.059 0.000 2.315 425 Q HA 0.597 4.938 4.340 0.001 0.000 0.273 425 Q C -1.545 174.451 176.000 -0.005 0.000 1.053 425 Q CA -1.200 54.611 55.803 0.014 0.000 0.817 425 Q CB 2.211 30.930 28.738 -0.032 0.000 1.326 425 Q HN 0.462 nan 8.270 nan 0.000 0.423 426 R N 0.647 121.096 120.500 -0.085 0.000 2.923 426 R HA 0.708 5.048 4.340 0.001 0.000 0.252 426 R C -0.189 176.000 176.300 -0.184 0.000 1.130 426 R CA -0.827 55.140 56.100 -0.221 0.000 1.043 426 R CB 1.307 31.287 30.300 -0.533 0.000 1.205 426 R HN 0.693 nan 8.270 nan 0.000 0.495 427 V N -1.776 118.029 119.914 -0.182 0.000 2.732 427 V HA 0.414 4.535 4.120 0.001 0.000 0.310 427 V C 0.005 176.001 176.094 -0.163 0.000 1.053 427 V CA -1.070 61.149 62.300 -0.135 0.000 0.957 427 V CB 1.789 33.554 31.823 -0.096 0.000 1.018 427 V HN 0.575 nan 8.190 nan 0.000 0.452 428 D N 1.714 122.033 120.400 -0.134 0.000 2.450 428 D HA 0.100 4.740 4.640 0.001 0.000 0.247 428 D C 0.834 177.027 176.300 -0.178 0.000 1.162 428 D CA 0.355 54.265 54.000 -0.149 0.000 0.879 428 D CB 1.034 41.763 40.800 -0.118 0.000 1.163 428 D HN 0.643 nan 8.370 nan 0.000 0.472 429 L N 3.307 124.337 121.223 -0.322 0.000 2.478 429 L HA 0.012 4.352 4.340 0.001 0.000 0.223 429 L C 1.302 177.915 176.870 -0.427 0.000 1.140 429 L CA 0.338 54.930 54.840 -0.413 0.000 0.842 429 L CB -0.150 41.581 42.059 -0.546 0.000 0.953 429 L HN 0.452 nan 8.230 nan 0.000 0.452 430 F N -1.100 118.855 119.950 0.009 0.000 2.641 430 F HA 0.192 4.720 4.527 0.001 0.000 0.302 430 F C 1.059 176.833 175.800 -0.043 0.000 1.098 430 F CA -0.408 57.598 58.000 0.010 0.000 1.318 430 F CB -0.086 38.984 39.000 0.116 0.000 1.035 430 F HN -0.060 nan 8.300 nan 0.000 0.551 431 M N 1.017 120.655 119.600 0.063 0.000 2.173 431 M HA -0.286 4.194 4.480 0.001 0.000 0.197 431 M C 1.194 177.514 176.300 0.034 0.000 0.296 431 M CA 1.153 56.468 55.300 0.026 0.000 0.385 431 M CB -2.104 30.502 32.600 0.010 0.000 1.141 431 M HN 0.592 nan 8.290 nan 0.000 0.938 432 G N -0.358 108.473 108.800 0.051 0.000 2.141 432 G HA2 -0.323 3.638 3.960 0.001 0.000 0.242 432 G HA3 -0.323 3.638 3.960 0.001 0.000 0.242 432 G C 0.329 175.224 174.900 -0.008 0.000 0.982 432 G CA 0.710 45.834 45.100 0.040 0.000 0.662 432 G HN 0.659 nan 8.290 nan 0.000 0.527 433 Q N -0.857 118.906 119.800 -0.062 0.000 2.096 433 Q HA 0.034 4.375 4.340 0.001 0.000 0.204 433 Q C 1.295 176.987 176.000 -0.514 0.000 0.982 433 Q CA 1.499 57.094 55.803 -0.346 0.000 0.850 433 Q CB -0.100 28.314 28.738 -0.539 0.000 0.901 433 Q HN 0.667 nan 8.270 nan 0.000 0.422 434 F N -0.100 119.813 119.950 -0.060 0.000 2.925 434 F HA 0.206 4.734 4.527 0.001 0.000 0.302 434 F C 1.646 177.451 175.800 0.009 0.000 1.189 434 F CA -0.100 57.857 58.000 -0.072 0.000 1.346 434 F CB 0.429 39.341 39.000 -0.147 0.000 0.954 434 F HN 0.052 nan 8.300 nan 0.000 0.506 435 S N 0.072 115.855 115.700 0.138 0.000 2.419 435 S HA -0.139 4.331 4.470 0.001 0.000 0.233 435 S C 1.306 176.023 174.600 0.195 0.000 1.016 435 S CA 1.373 59.692 58.200 0.199 0.000 0.974 435 S CB -0.028 63.264 63.200 0.154 0.000 0.786 435 S HN 0.327 nan 8.310 nan 0.000 0.492 436 E N 0.772 121.052 120.200 0.134 0.000 3.646 436 E HA 0.419 4.770 4.350 0.001 0.000 0.211 436 E C -1.431 175.229 176.600 0.101 0.000 1.034 436 E CA -0.147 56.317 56.400 0.107 0.000 1.341 436 E CB 0.938 30.678 29.700 0.066 0.000 1.202 436 E HN 0.302 nan 8.360 nan 0.000 0.447 437 V N 0.493 120.488 119.914 0.135 0.000 3.147 437 V HA 0.419 4.540 4.120 0.001 0.000 0.306 437 V C -1.326 174.825 176.094 0.095 0.000 1.209 437 V CA -0.861 61.503 62.300 0.107 0.000 1.023 437 V CB 2.608 34.513 31.823 0.137 0.000 1.059 437 V HN 0.276 nan 8.190 nan 0.000 0.435 438 L N 5.511 126.762 121.223 0.048 0.000 2.287 438 L HA 0.515 4.856 4.340 0.001 0.000 0.280 438 L C -0.760 176.099 176.870 -0.018 0.000 1.055 438 L CA -0.512 54.349 54.840 0.035 0.000 0.863 438 L CB 0.839 42.914 42.059 0.027 0.000 1.245 438 L HN 0.602 nan 8.230 nan 0.000 0.432 439 L N 4.594 125.789 121.223 -0.046 0.000 2.361 439 L HA 0.167 4.508 4.340 0.001 0.000 0.278 439 L C 1.171 178.001 176.870 -0.067 0.000 1.113 439 L CA 0.007 54.770 54.840 -0.129 0.000 0.849 439 L CB 1.056 42.974 42.059 -0.236 0.000 1.155 439 L HN 0.618 nan 8.230 nan 0.000 0.452 440 T N -2.178 112.337 114.554 -0.065 0.000 3.200 440 T HA 0.226 4.577 4.350 0.001 0.000 0.284 440 T C 0.176 174.868 174.700 -0.012 0.000 1.009 440 T CA -0.390 61.696 62.100 -0.025 0.000 0.907 440 T CB 0.344 69.207 68.868 -0.010 0.000 1.120 440 T HN 0.428 nan 8.240 nan 0.000 0.534 441 S N 0.478 116.155 115.700 -0.038 0.000 2.579 441 S HA 0.604 5.075 4.470 0.001 0.000 0.290 441 S C -2.168 172.402 174.600 -0.049 0.000 1.123 441 S CA -0.753 57.440 58.200 -0.012 0.000 0.894 441 S CB 1.470 64.684 63.200 0.022 0.000 1.095 441 S HN 0.378 nan 8.310 nan 0.000 0.450 442 I N 3.602 124.159 120.570 -0.022 0.000 2.607 442 I HA 0.660 4.830 4.170 0.001 0.000 0.290 442 I C -0.919 175.126 176.117 -0.121 0.000 1.129 442 I CA -0.129 61.137 61.300 -0.058 0.000 1.042 442 I CB 2.067 40.066 38.000 -0.002 0.000 1.242 442 I HN 0.804 nan 8.210 nan 0.000 0.421 443 S N 4.233 119.786 115.700 -0.246 0.000 2.667 443 S HA 0.763 5.234 4.470 0.001 0.000 0.292 443 S C -0.667 173.639 174.600 -0.489 0.000 1.126 443 S CA -0.670 57.165 58.200 -0.608 0.000 0.881 443 S CB 2.364 65.329 63.200 -0.392 0.000 1.132 443 S HN 0.620 nan 8.310 nan 0.000 0.492 444 T N 2.299 116.468 114.554 -0.642 0.000 3.071 444 T HA 0.658 5.008 4.350 0.001 0.000 0.311 444 T C -1.584 173.154 174.700 0.063 0.000 1.042 444 T CA -0.536 61.414 62.100 -0.249 0.000 1.028 444 T CB 0.379 69.086 68.868 -0.269 0.000 1.068 444 T HN 0.542 nan 8.240 nan 0.000 0.451 445 F N 1.704 121.565 119.950 -0.147 0.000 2.626 445 F HA 0.863 5.390 4.527 0.001 0.000 0.311 445 F C -1.595 174.175 175.800 -0.049 0.000 1.088 445 F CA -1.817 56.149 58.000 -0.057 0.000 0.949 445 F CB 0.850 39.791 39.000 -0.098 0.000 1.322 445 F HN 0.346 nan 8.300 nan 0.000 0.461 446 I N 2.381 122.977 120.570 0.043 0.000 2.354 446 I HA 0.448 4.619 4.170 0.001 0.000 0.292 446 I C -0.717 175.405 176.117 0.009 0.000 0.989 446 I CA -0.659 60.608 61.300 -0.056 0.000 1.188 446 I CB 1.842 39.858 38.000 0.026 0.000 1.342 446 I HN 0.571 nan 8.210 nan 0.000 0.457 447 K N 4.526 124.844 120.400 -0.137 0.000 2.502 447 K HA 0.634 4.955 4.320 0.001 0.000 0.254 447 K C 0.339 176.909 176.600 -0.050 0.000 0.947 447 K CA -0.232 55.987 56.287 -0.115 0.000 0.834 447 K CB 1.966 34.213 32.500 -0.422 0.000 1.112 447 K HN 0.857 nan 8.250 nan 0.000 0.427 448 G N 3.001 111.808 108.800 0.012 0.000 2.523 448 G HA2 -0.308 3.653 3.960 0.001 0.000 0.271 448 G HA3 -0.308 3.653 3.960 0.001 0.000 0.271 448 G C 0.107 175.018 174.900 0.018 0.000 1.146 448 G CA 0.317 45.437 45.100 0.032 0.000 0.961 448 G HN 0.643 nan 8.290 nan 0.000 0.549 449 D N 0.904 121.314 120.400 0.017 0.000 2.369 449 D HA 0.334 4.974 4.640 0.001 0.000 0.211 449 D C 1.079 177.374 176.300 -0.008 0.000 1.077 449 D CA 0.121 54.125 54.000 0.006 0.000 0.842 449 D CB 0.180 40.984 40.800 0.008 0.000 0.947 449 D HN 0.385 nan 8.370 nan 0.000 0.509 450 L N 0.526 121.739 121.223 -0.016 0.000 2.357 450 L HA 0.342 4.683 4.340 0.001 0.000 0.273 450 L C 0.227 177.032 176.870 -0.108 0.000 1.080 450 L CA -0.193 54.624 54.840 -0.039 0.000 0.803 450 L CB 1.475 43.533 42.059 -0.001 0.000 1.174 450 L HN -0.233 nan 8.230 nan 0.000 0.443 451 T N 3.474 117.954 114.554 -0.124 0.000 2.758 451 T HA 0.594 4.944 4.350 0.001 0.000 0.285 451 T C -0.318 174.207 174.700 -0.292 0.000 0.981 451 T CA -0.329 61.642 62.100 -0.215 0.000 0.965 451 T CB 0.943 69.714 68.868 -0.162 0.000 0.927 451 T HN 0.133 nan 8.240 nan 0.000 0.448 452 I N 2.712 122.951 120.570 -0.552 0.000 2.441 452 I HA 0.621 4.792 4.170 0.001 0.000 0.295 452 I C 0.150 175.973 176.117 -0.489 0.000 0.994 452 I CA -0.782 60.189 61.300 -0.549 0.000 1.144 452 I CB 1.678 39.165 38.000 -0.854 0.000 1.314 452 I HN 0.716 nan 8.210 nan 0.000 0.445 453 A N 4.767 127.472 122.820 -0.193 0.000 2.287 453 A HA 0.694 5.015 4.320 0.001 0.000 0.317 453 A C -0.800 176.745 177.584 -0.066 0.000 1.220 453 A CA -0.742 51.217 52.037 -0.131 0.000 0.835 453 A CB 0.057 19.003 19.000 -0.091 0.000 1.180 453 A HN 0.722 nan 8.150 nan 0.000 0.500 454 N N 3.090 121.777 118.700 -0.022 0.000 2.414 454 N HA 0.522 5.263 4.740 0.001 0.000 0.256 454 N C -0.671 174.617 175.510 -0.372 0.000 1.029 454 N CA -0.235 52.654 53.050 -0.267 0.000 0.948 454 N CB 0.672 39.097 38.487 -0.103 0.000 1.102 454 N HN 0.474 nan 8.380 nan 0.000 0.496 455 L N 0.389 121.300 121.223 -0.520 0.000 2.347 455 L HA 0.882 5.222 4.340 0.001 0.000 0.268 455 L C 0.840 177.490 176.870 -0.367 0.000 1.019 455 L CA -1.228 53.369 54.840 -0.404 0.000 0.806 455 L CB 1.386 43.144 42.059 -0.501 0.000 1.339 455 L HN 0.685 nan 8.230 nan 0.000 0.463 456 G N -0.843 107.812 108.800 -0.242 0.000 2.753 456 G HA2 0.533 4.494 3.960 0.001 0.000 0.295 456 G HA3 0.533 4.494 3.960 0.001 0.000 0.295 456 G C -1.113 173.707 174.900 -0.133 0.000 1.437 456 G CA -0.281 44.738 45.100 -0.135 0.000 1.094 456 G HN 0.356 nan 8.290 nan 0.000 0.540 457 T N 0.503 114.991 114.554 -0.109 0.000 2.847 457 T HA 0.350 4.701 4.350 0.001 0.000 0.279 457 T C 1.756 176.423 174.700 -0.054 0.000 0.984 457 T CA 0.270 62.319 62.100 -0.085 0.000 0.988 457 T CB 1.245 70.074 68.868 -0.066 0.000 1.040 457 T HN 0.865 nan 8.240 nan 0.000 0.528 458 S N -0.262 115.413 115.700 -0.043 0.000 2.786 458 S HA 0.122 4.593 4.470 0.001 0.000 0.223 458 S C 0.682 175.250 174.600 -0.055 0.000 0.956 458 S CA 0.200 58.374 58.200 -0.043 0.000 0.961 458 S CB -0.343 62.838 63.200 -0.030 0.000 0.784 458 S HN 0.759 nan 8.310 nan 0.000 0.519 459 E N -0.125 120.046 120.200 -0.049 0.000 2.702 459 E HA 0.316 4.667 4.350 0.001 0.000 0.225 459 E C 0.470 177.042 176.600 -0.046 0.000 0.942 459 E CA 0.102 56.472 56.400 -0.049 0.000 1.210 459 E CB 1.094 30.772 29.700 -0.035 0.000 1.143 459 E HN 0.559 nan 8.360 nan 0.000 0.544 460 G N 2.459 111.230 108.800 -0.049 0.000 2.309 460 G HA2 -0.203 3.758 3.960 0.001 0.000 0.183 460 G HA3 -0.203 3.758 3.960 0.001 0.000 0.183 460 G C -0.396 174.430 174.900 -0.123 0.000 1.063 460 G CA -0.612 44.454 45.100 -0.056 0.000 0.768 460 G HN 0.013 nan 8.290 nan 0.000 0.490 461 R N -0.042 120.386 120.500 -0.120 0.000 2.310 461 R HA 0.451 4.792 4.340 0.001 0.000 0.316 461 R C -0.499 175.705 176.300 -0.160 0.000 1.004 461 R CA -0.834 55.161 56.100 -0.175 0.000 0.900 461 R CB 1.206 31.440 30.300 -0.110 0.000 1.152 461 R HN 0.210 nan 8.270 nan 0.000 0.513 462 F N 5.420 125.128 119.950 -0.404 0.000 2.429 462 F HA 0.361 4.889 4.527 0.001 0.000 0.348 462 F C 0.104 175.842 175.800 -0.103 0.000 1.109 462 F CA -0.027 57.828 58.000 -0.241 0.000 1.232 462 F CB 0.702 39.571 39.000 -0.219 0.000 1.157 462 F HN 0.459 nan 8.300 nan 0.000 0.564 463 M N 4.448 123.596 119.600 -0.753 0.000 2.490 463 M HA 0.425 4.906 4.480 0.001 0.000 0.286 463 M C -2.201 173.753 176.300 -0.577 0.000 1.185 463 M CA -0.916 54.127 55.300 -0.429 0.000 0.912 463 M CB 2.306 34.810 32.600 -0.160 0.000 1.744 463 M HN 0.531 nan 8.290 nan 0.000 0.494 464 Q N 1.667 121.255 119.800 -0.354 0.000 2.274 464 Q HA 0.855 5.196 4.340 0.001 0.000 0.260 464 Q C -1.244 174.558 176.000 -0.331 0.000 0.974 464 Q CA -1.188 54.438 55.803 -0.295 0.000 0.876 464 Q CB 3.299 31.974 28.738 -0.105 0.000 1.297 464 Q HN 0.644 nan 8.270 nan 0.000 0.446 465 V N 1.118 120.991 119.914 -0.069 0.000 2.711 465 V HA 0.207 4.327 4.120 0.001 0.000 0.304 465 V C -0.234 175.975 176.094 0.193 0.000 1.097 465 V CA -1.034 61.321 62.300 0.092 0.000 0.906 465 V CB 1.843 33.732 31.823 0.110 0.000 1.015 465 V HN 0.564 nan 8.190 nan 0.000 0.427 466 V N 4.783 124.849 119.914 0.254 0.000 2.485 466 V HA 0.102 4.222 4.120 0.001 0.000 0.287 466 V C 0.289 176.463 176.094 0.132 0.000 1.022 466 V CA 0.145 62.537 62.300 0.154 0.000 1.067 466 V CB 1.360 33.262 31.823 0.131 0.000 0.967 466 V HN 0.642 nan 8.190 nan 0.000 0.479 467 V N 5.710 125.649 119.914 0.041 0.000 2.348 467 V HA 0.467 4.588 4.120 0.001 0.000 0.270 467 V C 0.248 176.314 176.094 -0.046 0.000 1.037 467 V CA 0.260 62.554 62.300 -0.011 0.000 0.872 467 V CB 1.335 33.081 31.823 -0.128 0.000 1.002 467 V HN 0.903 nan 8.190 nan 0.000 0.464 468 S N 4.427 120.099 115.700 -0.045 0.000 2.540 468 S HA 0.446 4.917 4.470 0.001 0.000 0.275 468 S C 0.666 175.224 174.600 -0.070 0.000 1.123 468 S CA -0.742 57.430 58.200 -0.047 0.000 0.907 468 S CB 1.915 65.104 63.200 -0.018 0.000 1.081 468 S HN 0.671 nan 8.310 nan 0.000 0.476 469 R N 1.953 122.412 120.500 -0.069 0.000 2.280 469 R HA 0.041 4.382 4.340 0.001 0.000 0.207 469 R C 1.297 177.559 176.300 -0.062 0.000 1.043 469 R CA 1.053 57.104 56.100 -0.081 0.000 1.006 469 R CB -0.529 29.723 30.300 -0.081 0.000 0.885 469 R HN 0.650 nan 8.270 nan 0.000 0.467 470 S N -1.065 114.609 115.700 -0.045 0.000 2.406 470 S HA 0.159 4.630 4.470 0.001 0.000 0.224 470 S C 0.890 175.475 174.600 -0.024 0.000 1.030 470 S CA 0.784 58.965 58.200 -0.032 0.000 0.958 470 S CB 0.572 63.758 63.200 -0.024 0.000 0.811 470 S HN 0.533 nan 8.310 nan 0.000 0.489 471 G N 0.995 109.785 108.800 -0.017 0.000 2.377 471 G HA2 0.457 4.417 3.960 0.001 0.000 0.297 471 G HA3 0.457 4.417 3.960 0.001 0.000 0.297 471 G C -3.611 171.304 174.900 0.026 0.000 1.547 471 G CA -1.070 44.029 45.100 -0.001 0.000 0.833 471 G HN -0.094 nan 8.290 nan 0.000 0.583 472 P HA 0.476 nan 4.420 nan 0.000 0.272 472 P C -0.246 177.094 177.300 0.067 0.000 1.223 472 P CA -0.111 63.049 63.100 0.101 0.000 0.784 472 P CB 1.250 32.997 31.700 0.078 0.000 0.923 473 S N -0.126 115.631 115.700 0.094 0.000 2.704 473 S HA 0.480 4.951 4.470 0.001 0.000 0.305 473 S C -0.363 174.270 174.600 0.054 0.000 1.107 473 S CA -0.610 57.632 58.200 0.071 0.000 0.993 473 S CB 0.995 64.251 63.200 0.093 0.000 1.110 473 S HN 0.309 nan 8.310 nan 0.000 0.534 474 T N 4.050 118.631 114.554 0.045 0.000 2.761 474 T HA 0.288 4.639 4.350 0.001 0.000 0.296 474 T C -2.454 172.316 174.700 0.116 0.000 0.934 474 T CA -0.796 61.328 62.100 0.039 0.000 1.091 474 T CB 0.158 69.035 68.868 0.016 0.000 0.896 474 T HN 0.262 nan 8.240 nan 0.000 0.515 475 P HA -0.048 nan 4.420 nan 0.000 0.255 475 P C 0.940 178.349 177.300 0.181 0.000 1.161 475 P CA 0.151 63.297 63.100 0.076 0.000 0.768 475 P CB 0.208 31.933 31.700 0.043 0.000 0.746 476 H N 1.555 120.776 119.070 0.252 0.000 2.502 476 H HA 0.100 4.657 4.556 0.001 0.000 0.283 476 H C 0.368 175.959 175.328 0.437 0.000 1.015 476 H CA 0.352 56.653 56.048 0.421 0.000 1.298 476 H CB -0.049 29.904 29.762 0.319 0.000 1.411 476 H HN 0.107 nan 8.280 nan 0.000 0.556 477 V N 1.885 121.811 119.914 0.020 0.000 2.769 477 V HA 0.338 4.459 4.120 0.001 0.000 0.312 477 V C -0.326 175.823 176.094 0.091 0.000 1.061 477 V CA -0.922 61.421 62.300 0.072 0.000 0.931 477 V CB 1.906 33.804 31.823 0.124 0.000 1.010 477 V HN 0.463 nan 8.190 nan 0.000 0.433 478 N N 3.248 122.055 118.700 0.179 0.000 4.036 478 N HA 0.223 4.964 4.740 0.001 0.000 0.178 478 N C -1.218 174.450 175.510 0.263 0.000 1.378 478 N CA -0.360 52.797 53.050 0.178 0.000 0.851 478 N CB 0.598 39.152 38.487 0.112 0.000 1.714 478 N HN 0.601 nan 8.380 nan 0.000 0.771 479 F N 0.113 120.065 119.950 0.004 0.000 3.049 479 F HA 0.681 5.208 4.527 0.001 0.000 0.329 479 F C -1.491 174.324 175.800 0.024 0.000 1.208 479 F CA -1.157 56.839 58.000 -0.007 0.000 0.956 479 F CB 1.305 40.279 39.000 -0.043 0.000 1.469 479 F HN -0.030 nan 8.300 nan 0.000 0.516 480 L N 3.338 124.462 121.223 -0.166 0.000 2.283 480 L HA 0.427 4.768 4.340 0.001 0.000 0.281 480 L C -0.327 176.349 176.870 -0.323 0.000 1.033 480 L CA -0.599 54.087 54.840 -0.256 0.000 0.848 480 L CB 1.212 43.243 42.059 -0.046 0.000 1.226 480 L HN 0.555 nan 8.230 nan 0.000 0.429 481 L N 1.569 122.472 121.223 -0.534 0.000 2.456 481 L HA 0.024 4.365 4.340 0.001 0.000 0.246 481 L C 0.665 177.474 176.870 -0.101 0.000 1.238 481 L CA -0.424 54.277 54.840 -0.231 0.000 0.826 481 L CB 0.351 42.285 42.059 -0.208 0.000 1.150 481 L HN 0.625 nan 8.230 nan 0.000 0.514 482 D N -0.979 119.397 120.400 -0.041 0.000 2.319 482 D HA -0.110 4.530 4.640 0.001 0.000 0.235 482 D C 0.999 177.300 176.300 0.003 0.000 1.304 482 D CA 0.372 54.366 54.000 -0.009 0.000 0.894 482 D CB 0.199 41.001 40.800 0.004 0.000 1.183 482 D HN 0.534 nan 8.370 nan 0.000 0.472 483 S N -2.185 113.526 115.700 0.019 0.000 2.447 483 S HA -0.180 4.291 4.470 0.001 0.000 0.233 483 S C 1.057 175.674 174.600 0.028 0.000 1.006 483 S CA 0.357 58.565 58.200 0.012 0.000 0.957 483 S CB -0.724 62.482 63.200 0.009 0.000 0.773 483 S HN 0.691 nan 8.310 nan 0.000 0.507 484 H N 3.892 122.946 119.070 -0.026 0.000 2.815 484 H HA 0.273 4.830 4.556 0.001 0.000 0.350 484 H C -2.844 172.472 175.328 -0.020 0.000 1.080 484 H CA -1.552 54.485 56.048 -0.018 0.000 1.433 484 H CB 0.500 30.253 29.762 -0.014 0.000 1.432 484 H HN 0.093 nan 8.280 nan 0.000 0.592 485 P HA -0.033 nan 4.420 nan 0.000 0.269 485 P C -0.556 176.829 177.300 0.142 0.000 1.209 485 P CA -0.225 62.836 63.100 -0.066 0.000 0.776 485 P CB 0.665 32.259 31.700 -0.177 0.000 0.876 486 V N 2.153 122.115 119.914 0.079 0.000 2.583 486 V HA 0.220 4.341 4.120 0.001 0.000 0.287 486 V C 0.896 177.050 176.094 0.098 0.000 1.051 486 V CA -0.101 62.258 62.300 0.098 0.000 1.010 486 V CB 0.944 32.803 31.823 0.061 0.000 0.988 486 V HN 0.674 nan 8.190 nan 0.000 0.478 487 S N 5.445 121.214 115.700 0.115 0.000 2.610 487 S HA 0.408 4.879 4.470 0.001 0.000 0.273 487 S C -1.948 172.710 174.600 0.098 0.000 1.274 487 S CA -1.304 56.962 58.200 0.111 0.000 1.023 487 S CB 1.478 64.750 63.200 0.119 0.000 0.962 487 S HN 0.575 nan 8.310 nan 0.000 0.523 488 P HA 0.198 nan 4.420 nan 0.000 0.249 488 P C -0.551 176.831 177.300 0.137 0.000 1.241 488 P CA 0.330 63.491 63.100 0.101 0.000 0.781 488 P CB -0.021 31.738 31.700 0.098 0.000 1.088 489 E N 0.828 121.111 120.200 0.137 0.000 2.130 489 E HA 0.331 4.682 4.350 0.001 0.000 0.284 489 E C 0.059 176.746 176.600 0.145 0.000 1.018 489 E CA -0.482 56.011 56.400 0.154 0.000 0.817 489 E CB 1.640 31.427 29.700 0.144 0.000 1.078 489 E HN -0.041 nan 8.360 nan 0.000 0.396 490 V N 0.250 120.265 119.914 0.167 0.000 3.087 490 V HA 0.618 4.739 4.120 0.001 0.000 0.306 490 V C -0.728 175.467 176.094 0.169 0.000 1.187 490 V CA -1.034 61.355 62.300 0.148 0.000 0.999 490 V CB 2.384 34.279 31.823 0.119 0.000 1.049 490 V HN 0.343 nan 8.190 nan 0.000 0.431 491 I N 2.271 122.919 120.570 0.129 0.000 2.689 491 I HA 0.680 4.850 4.170 0.001 0.000 0.299 491 I C -0.651 175.480 176.117 0.023 0.000 1.059 491 I CA -0.907 60.464 61.300 0.118 0.000 1.055 491 I CB 2.179 40.255 38.000 0.127 0.000 1.243 491 I HN 0.569 nan 8.210 nan 0.000 0.425 492 V N 4.389 124.304 119.914 0.001 0.000 2.380 492 V HA 0.283 4.404 4.120 0.001 0.000 0.272 492 V C -0.107 175.881 176.094 -0.176 0.000 1.011 492 V CA -0.608 61.619 62.300 -0.121 0.000 0.826 492 V CB 1.512 33.317 31.823 -0.029 0.000 1.040 492 V HN 0.600 nan 8.190 nan 0.000 0.441 493 E N 4.211 124.115 120.200 -0.494 0.000 2.014 493 E HA 0.314 4.665 4.350 0.001 0.000 0.275 493 E C -0.823 175.600 176.600 -0.294 0.000 0.997 493 E CA -0.040 56.103 56.400 -0.428 0.000 0.804 493 E CB 0.756 30.089 29.700 -0.611 0.000 1.090 493 E HN 0.764 nan 8.360 nan 0.000 0.401 494 H N 2.013 120.971 119.070 -0.186 0.000 2.782 494 H HA 0.342 4.898 4.556 0.001 0.000 0.347 494 H C -0.954 174.358 175.328 -0.027 0.000 1.038 494 H CA -0.385 55.601 56.048 -0.104 0.000 1.255 494 H CB 1.631 31.341 29.762 -0.085 0.000 1.623 494 H HN 0.500 nan 8.280 nan 0.000 0.525 495 T N 2.660 117.016 114.554 -0.329 0.000 2.883 495 T HA 0.372 4.723 4.350 0.001 0.000 0.296 495 T C 0.100 174.615 174.700 -0.309 0.000 1.117 495 T CA -1.032 60.887 62.100 -0.301 0.000 1.006 495 T CB 1.506 70.314 68.868 -0.100 0.000 1.191 495 T HN 0.572 nan 8.240 nan 0.000 0.508 496 L N 1.023 122.126 121.223 -0.201 0.000 2.516 496 L HA 0.346 4.687 4.340 0.001 0.000 0.288 496 L C 0.409 177.249 176.870 -0.050 0.000 1.246 496 L CA -0.040 54.735 54.840 -0.109 0.000 0.844 496 L CB -0.728 41.294 42.059 -0.062 0.000 1.106 496 L HN 0.914 nan 8.230 nan 0.000 0.509 497 N N -1.400 117.292 118.700 -0.014 0.000 2.815 497 N HA -0.273 4.468 4.740 0.001 0.000 0.247 497 N C -0.350 175.175 175.510 0.025 0.000 1.030 497 N CA 1.713 54.768 53.050 0.009 0.000 0.881 497 N CB -1.168 37.322 38.487 0.005 0.000 1.134 497 N HN 0.934 nan 8.380 nan 0.000 0.582 498 Q N -0.613 119.206 119.800 0.030 0.000 2.501 498 Q HA 0.437 4.778 4.340 0.001 0.000 0.288 498 Q C -0.886 175.217 176.000 0.171 0.000 1.051 498 Q CA -0.680 55.170 55.803 0.077 0.000 0.788 498 Q CB 1.113 29.889 28.738 0.064 0.000 1.469 498 Q HN 0.189 nan 8.270 nan 0.000 0.416 499 N N 0.350 119.178 118.700 0.214 0.000 2.170 499 N HA 0.179 4.920 4.740 0.001 0.000 0.222 499 N C 0.125 175.720 175.510 0.141 0.000 1.218 499 N CA 0.569 53.757 53.050 0.229 0.000 0.889 499 N CB 1.359 39.917 38.487 0.118 0.000 1.083 499 N HN 0.851 nan 8.380 nan 0.000 0.520 500 G N 1.894 110.863 108.800 0.281 0.000 2.801 500 G HA2 -0.281 3.680 3.960 0.001 0.000 0.244 500 G HA3 -0.281 3.680 3.960 0.001 0.000 0.244 500 G C -0.835 174.101 174.900 0.060 0.000 1.385 500 G CA 0.315 45.494 45.100 0.132 0.000 0.894 500 G HN 0.426 nan 8.290 nan 0.000 0.562 501 Y N -4.388 115.836 120.300 -0.128 0.000 2.774 501 Y HA 0.706 5.257 4.550 0.001 0.000 0.346 501 Y C -0.195 175.613 175.900 -0.153 0.000 1.222 501 Y CA -0.740 57.268 58.100 -0.153 0.000 1.088 501 Y CB 0.465 38.871 38.460 -0.090 0.000 1.354 501 Y HN 1.166 nan 8.280 nan 0.000 0.455 502 T N 1.994 116.569 114.554 0.034 0.000 2.848 502 T HA 0.633 4.983 4.350 0.001 0.000 0.285 502 T C -0.922 173.837 174.700 0.099 0.000 0.995 502 T CA -0.672 61.423 62.100 -0.008 0.000 0.970 502 T CB 1.496 70.347 68.868 -0.029 0.000 0.976 502 T HN 0.732 nan 8.240 nan 0.000 0.441 503 L N 2.946 124.250 121.223 0.135 0.000 2.290 503 L HA 0.669 5.010 4.340 0.001 0.000 0.284 503 L C -0.480 176.428 176.870 0.064 0.000 1.078 503 L CA -0.817 54.090 54.840 0.111 0.000 0.815 503 L CB 0.963 43.116 42.059 0.156 0.000 1.162 503 L HN 0.406 nan 8.230 nan 0.000 0.435 504 V N 4.789 124.716 119.914 0.021 0.000 2.735 504 V HA 0.479 4.600 4.120 0.001 0.000 0.310 504 V C -0.172 175.941 176.094 0.030 0.000 1.061 504 V CA -0.480 61.840 62.300 0.033 0.000 0.913 504 V CB 2.494 34.318 31.823 0.002 0.000 1.005 504 V HN 0.489 nan 8.190 nan 0.000 0.428 505 I N 3.483 124.085 120.570 0.053 0.000 2.354 505 I HA 0.528 4.699 4.170 0.001 0.000 0.292 505 I C -0.085 176.049 176.117 0.028 0.000 0.989 505 I CA -0.113 61.209 61.300 0.038 0.000 1.188 505 I CB 2.088 40.124 38.000 0.060 0.000 1.342 505 I HN 0.753 nan 8.210 nan 0.000 0.457 506 T N 2.390 116.932 114.554 -0.020 0.000 3.068 506 T HA 0.674 5.025 4.350 0.001 0.000 0.364 506 T C 0.425 174.968 174.700 -0.261 0.000 1.161 506 T CA -0.224 61.861 62.100 -0.025 0.000 1.155 506 T CB 1.109 69.992 68.868 0.024 0.000 1.060 506 T HN 1.083 nan 8.240 nan 0.000 0.513 507 G N 3.823 112.261 108.800 -0.604 0.000 2.588 507 G HA2 -0.303 3.657 3.960 0.001 0.000 0.273 507 G HA3 -0.303 3.657 3.960 0.001 0.000 0.273 507 G C 0.704 175.402 174.900 -0.337 0.000 1.211 507 G CA 0.103 44.652 45.100 -0.918 0.000 0.958 507 G HN 0.656 nan 8.290 nan 0.000 0.543 508 K N 1.019 121.271 120.400 -0.246 0.000 2.444 508 K HA 0.171 4.492 4.320 0.001 0.000 0.193 508 K C 1.015 177.522 176.600 -0.154 0.000 1.024 508 K CA 0.260 56.454 56.287 -0.154 0.000 1.077 508 K CB 0.410 32.823 32.500 -0.145 0.000 0.833 508 K HN 0.324 nan 8.250 nan 0.000 0.517 509 K N 1.674 121.988 120.400 -0.144 0.000 2.156 509 K HA 0.376 4.697 4.320 0.001 0.000 0.254 509 K C -1.299 175.275 176.600 -0.042 0.000 0.950 509 K CA -0.553 55.669 56.287 -0.108 0.000 0.849 509 K CB 1.343 33.780 32.500 -0.104 0.000 1.100 509 K HN -0.024 nan 8.250 nan 0.000 0.434 510 I N 1.824 122.396 120.570 0.003 0.000 2.499 510 I HA 0.301 4.471 4.170 0.001 0.000 0.288 510 I C -1.274 174.855 176.117 0.021 0.000 1.048 510 I CA -0.200 61.120 61.300 0.033 0.000 1.062 510 I CB 2.199 40.248 38.000 0.081 0.000 1.238 510 I HN 0.488 nan 8.210 nan 0.000 0.426 511 T N 6.176 120.724 114.554 -0.010 0.000 2.863 511 T HA 0.338 4.689 4.350 0.001 0.000 0.285 511 T C -0.764 173.904 174.700 -0.054 0.000 1.009 511 T CA -0.684 61.393 62.100 -0.039 0.000 0.989 511 T CB 1.623 70.454 68.868 -0.062 0.000 1.004 511 T HN 0.490 nan 8.240 nan 0.000 0.455 512 K N 3.322 123.680 120.400 -0.069 0.000 2.253 512 K HA 0.543 4.863 4.320 0.001 0.000 0.277 512 K C -1.013 175.529 176.600 -0.096 0.000 1.053 512 K CA -0.488 55.754 56.287 -0.074 0.000 0.892 512 K CB 0.324 32.717 32.500 -0.177 0.000 1.102 512 K HN 0.543 nan 8.250 nan 0.000 0.469 513 I N 6.824 127.336 120.570 -0.096 0.000 2.406 513 I HA 0.326 4.497 4.170 0.001 0.000 0.290 513 I C -2.218 173.863 176.117 -0.060 0.000 0.999 513 I CA -2.913 58.293 61.300 -0.158 0.000 1.124 513 I CB 1.924 39.662 38.000 -0.436 0.000 1.289 513 I HN 0.480 nan 8.210 nan 0.000 0.441 514 P HA 0.147 nan 4.420 nan 0.000 0.272 514 P C 0.387 177.669 177.300 -0.030 0.000 1.223 514 P CA -0.220 62.882 63.100 0.004 0.000 0.784 514 P CB 0.784 32.498 31.700 0.023 0.000 0.923 515 L N 1.379 122.527 121.223 -0.125 0.000 2.612 515 L HA 0.096 4.437 4.340 0.001 0.000 0.230 515 L C 0.604 177.481 176.870 0.012 0.000 1.140 515 L CA 0.648 55.299 54.840 -0.315 0.000 0.896 515 L CB -0.552 41.063 42.059 -0.739 0.000 1.065 515 L HN 0.326 nan 8.230 nan 0.000 0.447 516 N N 0.132 118.932 118.700 0.167 0.000 2.238 516 N HA 0.228 4.969 4.740 0.001 0.000 0.222 516 N C 0.827 176.639 175.510 0.503 0.000 1.133 516 N CA 0.601 53.916 53.050 0.442 0.000 0.854 516 N CB 0.859 39.544 38.487 0.330 0.000 1.041 516 N HN 0.259 nan 8.380 nan 0.000 0.510 517 G N 0.599 109.648 108.800 0.415 0.000 2.598 517 G HA2 -0.229 3.732 3.960 0.001 0.000 0.244 517 G HA3 -0.229 3.732 3.960 0.001 0.000 0.244 517 G C -0.870 174.134 174.900 0.173 0.000 1.302 517 G CA -0.444 44.864 45.100 0.346 0.000 0.903 517 G HN 0.141 nan 8.290 nan 0.000 0.575 518 L N 2.011 123.300 121.223 0.110 0.000 2.551 518 L HA 0.587 4.928 4.340 0.001 0.000 0.248 518 L C 1.312 178.213 176.870 0.051 0.000 1.509 518 L CA 1.051 55.887 54.840 -0.008 0.000 0.842 518 L CB -0.802 41.136 42.059 -0.203 0.000 1.087 518 L HN 2.589 nan 8.230 nan 0.000 0.512 519 G N 0.568 109.442 108.800 0.123 0.000 2.698 519 G HA2 -0.265 3.696 3.960 0.001 0.000 0.233 519 G HA3 -0.265 3.696 3.960 0.001 0.000 0.233 519 G C 0.591 175.605 174.900 0.190 0.000 1.352 519 G CA -0.129 45.051 45.100 0.135 0.000 0.879 519 G HN 0.419 nan 8.290 nan 0.000 0.567 520 c N -0.407 118.277 118.600 0.140 0.000 3.364 520 c HA 0.319 4.889 4.570 0.001 0.000 0.340 520 c C 2.395 176.469 174.090 -0.028 0.000 1.336 520 c CA 0.255 56.665 56.329 0.136 0.000 1.778 520 c CB -0.315 42.349 42.510 0.256 0.000 2.398 520 c HN 0.693 nan 8.230 nan 0.000 0.667 521 R N 2.157 122.672 120.500 0.026 0.000 2.261 521 R HA -0.129 4.212 4.340 0.001 0.000 0.236 521 R C 1.631 177.914 176.300 -0.028 0.000 1.141 521 R CA 1.202 57.310 56.100 0.014 0.000 1.001 521 R CB -0.829 29.485 30.300 0.023 0.000 0.866 521 R HN 0.805 nan 8.270 nan 0.000 0.468 522 H N -2.360 116.575 119.070 -0.226 0.000 2.551 522 H HA 0.157 4.714 4.556 0.001 0.000 0.271 522 H C -0.009 175.172 175.328 -0.246 0.000 0.984 522 H CA -0.472 55.419 56.048 -0.260 0.000 1.164 522 H CB -0.391 29.172 29.762 -0.332 0.000 1.437 522 H HN -0.032 nan 8.280 nan 0.000 0.550 523 F N 2.578 122.372 119.950 -0.260 0.000 2.427 523 F HA 0.155 4.683 4.527 0.001 0.000 0.352 523 F C 1.601 177.401 175.800 -0.000 0.000 1.100 523 F CA -0.486 57.421 58.000 -0.154 0.000 1.191 523 F CB 1.500 40.393 39.000 -0.178 0.000 1.128 523 F HN 0.025 nan 8.300 nan 0.000 0.533 524 Q N 1.373 121.280 119.800 0.178 0.000 2.245 524 Q HA 0.005 4.346 4.340 0.001 0.000 0.201 524 Q C 0.508 176.536 176.000 0.046 0.000 0.955 524 Q CA 0.807 56.669 55.803 0.099 0.000 0.870 524 Q CB 0.191 28.967 28.738 0.063 0.000 0.945 524 Q HN 0.701 nan 8.270 nan 0.000 0.461 525 S N -2.289 113.341 115.700 -0.115 0.000 2.656 525 S HA 0.165 4.636 4.470 0.001 0.000 0.273 525 S C 0.462 174.417 174.600 -1.075 0.000 1.168 525 S CA -0.754 57.152 58.200 -0.491 0.000 0.817 525 S CB 0.978 63.956 63.200 -0.371 0.000 1.146 525 S HN 0.225 nan 8.310 nan 0.000 0.475 526 c N 1.155 118.712 118.600 -1.738 0.000 2.403 526 c HA -0.024 4.547 4.570 0.001 0.000 0.279 526 c C 2.702 176.220 174.090 -0.954 0.000 1.269 526 c CA 1.961 57.169 56.329 -1.870 0.000 1.774 526 c CB -1.782 39.790 42.510 -1.563 0.000 1.993 526 c HN 0.854 nan 8.230 nan 0.000 0.496 527 S N -0.108 115.091 115.700 -0.835 0.000 2.348 527 S HA -0.137 4.334 4.470 0.001 0.000 0.219 527 S C 1.767 175.869 174.600 -0.830 0.000 1.033 527 S CA 1.335 58.929 58.200 -1.010 0.000 0.974 527 S CB -0.358 62.274 63.200 -0.947 0.000 0.868 527 S HN 0.752 nan 8.310 nan 0.000 0.459 528 Q N 0.124 119.573 119.800 -0.584 0.000 2.096 528 Q HA -0.157 4.184 4.340 0.001 0.000 0.204 528 Q C 2.499 178.026 176.000 -0.787 0.000 0.982 528 Q CA 1.479 56.984 55.803 -0.497 0.000 0.850 528 Q CB -0.603 28.003 28.738 -0.220 0.000 0.901 528 Q HN 0.619 nan 8.270 nan 0.000 0.422 529 c N 0.475 118.695 118.600 -0.632 0.000 2.413 529 c HA -0.091 4.480 4.570 0.001 0.000 0.277 529 c C 2.128 175.937 174.090 -0.468 0.000 1.265 529 c CA 0.646 56.648 56.329 -0.546 0.000 1.752 529 c CB -0.774 41.702 42.510 -0.056 0.000 1.998 529 c HN 0.496 nan 8.230 nan 0.000 0.489 530 L N 0.158 121.167 121.223 -0.357 0.000 2.592 530 L HA 0.084 4.424 4.340 0.001 0.000 0.227 530 L C 2.363 179.246 176.870 0.022 0.000 1.127 530 L CA 0.411 55.181 54.840 -0.116 0.000 0.884 530 L CB -0.334 41.776 42.059 0.086 0.000 1.065 530 L HN 0.284 nan 8.230 nan 0.000 0.457 531 S N 0.094 115.688 115.700 -0.176 0.000 2.496 531 S HA 0.168 4.638 4.470 0.001 0.000 0.224 531 S C 1.184 175.675 174.600 -0.181 0.000 0.996 531 S CA 0.088 58.242 58.200 -0.077 0.000 0.927 531 S CB 0.057 63.165 63.200 -0.153 0.000 0.774 531 S HN 0.393 nan 8.310 nan 0.000 0.524 532 A N 2.877 125.485 122.820 -0.353 0.000 2.520 532 A HA 0.344 4.665 4.320 0.001 0.000 0.235 532 A C -2.457 174.952 177.584 -0.293 0.000 1.065 532 A CA -0.871 50.978 52.037 -0.314 0.000 0.764 532 A CB -0.409 18.392 19.000 -0.331 0.000 1.002 532 A HN 0.127 nan 8.150 nan 0.000 0.502 533 P HA 0.135 nan 4.420 nan 0.000 0.267 533 P C -1.898 175.092 177.300 -0.517 0.000 1.205 533 P CA -0.964 61.852 63.100 -0.474 0.000 0.765 533 P CB 0.167 31.415 31.700 -0.753 0.000 0.828 534 P HA -0.250 nan 4.420 nan 0.000 0.219 534 P C 1.066 178.314 177.300 -0.088 0.000 1.158 534 P CA 1.606 64.647 63.100 -0.098 0.000 0.895 534 P CB -0.600 31.111 31.700 0.020 0.000 0.792 535 F N -2.442 117.517 119.950 0.016 0.000 2.722 535 F HA 0.013 4.541 4.527 0.001 0.000 0.298 535 F C 1.278 177.122 175.800 0.073 0.000 1.175 535 F CA 0.345 58.375 58.000 0.050 0.000 1.462 535 F CB -1.591 37.442 39.000 0.055 0.000 1.111 535 F HN -0.240 nan 8.300 nan 0.000 0.592 536 V N 0.232 119.875 119.914 -0.453 0.000 3.052 536 V HA -0.071 4.050 4.120 0.001 0.000 0.254 536 V C 1.141 177.253 176.094 0.030 0.000 1.100 536 V CA 0.764 62.961 62.300 -0.172 0.000 1.112 536 V CB -0.955 30.738 31.823 -0.217 0.000 0.738 536 V HN 0.548 nan 8.190 nan 0.000 0.469 537 Q N -1.349 118.474 119.800 0.037 0.000 2.481 537 Q HA -0.209 4.132 4.340 0.001 0.000 0.283 537 Q C -0.011 176.157 176.000 0.280 0.000 1.292 537 Q CA 0.487 56.387 55.803 0.162 0.000 0.819 537 Q CB -2.415 26.422 28.738 0.165 0.000 1.202 537 Q HN 0.688 nan 8.270 nan 0.000 0.446 538 c N -0.261 118.462 118.600 0.204 0.000 2.364 538 c HA 0.880 5.451 4.570 0.001 0.000 0.356 538 c C 1.284 175.486 174.090 0.187 0.000 1.201 538 c CA 0.091 56.585 56.329 0.274 0.000 2.227 538 c CB 1.235 43.858 42.510 0.189 0.000 2.387 538 c HN 0.608 nan 8.230 nan 0.000 0.546 539 G N 0.011 108.984 108.800 0.288 0.000 2.694 539 G HA2 0.589 4.550 3.960 0.001 0.000 0.290 539 G HA3 0.589 4.550 3.960 0.001 0.000 0.290 539 G C -1.822 173.099 174.900 0.036 0.000 1.386 539 G CA -0.369 44.475 45.100 -0.427 0.000 0.872 539 G HN 0.827 nan 8.290 nan 0.000 0.475 540 W N 0.093 121.195 121.300 -0.330 0.000 2.469 540 W HA 0.497 5.157 4.660 0.001 0.000 0.320 540 W C -0.933 175.596 176.519 0.017 0.000 1.086 540 W CA -0.767 56.517 57.345 -0.103 0.000 1.211 540 W CB 1.939 31.321 29.460 -0.130 0.000 1.298 540 W HN 0.465 nan 8.180 nan 0.000 0.525 541 c N 6.588 124.947 118.600 -0.402 0.000 3.276 541 c HA 0.184 4.754 4.570 0.001 0.000 0.226 541 c C 0.903 174.799 174.090 -0.323 0.000 1.502 541 c CA 0.081 56.296 56.329 -0.189 0.000 1.488 541 c CB -2.057 40.428 42.510 -0.041 0.000 2.014 541 c HN 1.044 nan 8.230 nan 0.000 0.492 542 H N 1.677 120.476 119.070 -0.452 0.000 4.884 542 H HA -0.246 4.310 4.556 0.001 0.000 0.061 542 H C 0.780 175.893 175.328 -0.359 0.000 0.590 542 H CA 2.925 58.815 56.048 -0.263 0.000 0.961 542 H CB -0.975 28.705 29.762 -0.136 0.000 0.443 542 H HN 0.520 nan 8.280 nan 0.000 0.794 543 D N 1.064 120.971 120.400 -0.821 0.000 2.500 543 D HA 0.257 4.897 4.640 0.001 0.000 0.217 543 D C -0.024 175.856 176.300 -0.699 0.000 1.159 543 D CA 0.093 53.654 54.000 -0.732 0.000 0.828 543 D CB 0.708 41.200 40.800 -0.513 0.000 1.039 543 D HN 0.576 nan 8.370 nan 0.000 0.512 544 K N -0.433 119.360 120.400 -1.012 0.000 2.508 544 K HA 0.476 4.797 4.320 0.001 0.000 0.260 544 K C -1.485 174.531 176.600 -0.973 0.000 0.949 544 K CA -0.837 54.981 56.287 -0.781 0.000 0.834 544 K CB 2.769 35.063 32.500 -0.343 0.000 1.365 544 K HN 0.020 nan 8.250 nan 0.000 0.437 545 c N 2.215 120.635 118.600 -0.300 0.000 2.330 545 c HA 0.814 5.385 4.570 0.001 0.000 0.344 545 c C -0.044 174.127 174.090 0.135 0.000 1.273 545 c CA -0.024 56.406 56.329 0.169 0.000 1.879 545 c CB -0.124 42.717 42.510 0.552 0.000 2.376 545 c HN 0.626 nan 8.230 nan 0.000 0.534 546 V N 5.563 125.603 119.914 0.210 0.000 3.221 546 V HA 0.539 4.659 4.120 0.001 0.000 0.299 546 V C -0.664 175.610 176.094 0.300 0.000 1.594 546 V CA -0.764 61.645 62.300 0.182 0.000 1.036 546 V CB 1.939 33.801 31.823 0.064 0.000 1.107 546 V HN 1.001 nan 8.190 nan 0.000 0.476 547 R N 0.133 120.716 120.500 0.138 0.000 2.649 547 R HA 0.417 4.758 4.340 0.001 0.000 0.270 547 R C 1.454 177.555 176.300 -0.333 0.000 1.105 547 R CA 0.791 56.926 56.100 0.058 0.000 1.193 547 R CB 1.150 31.441 30.300 -0.014 0.000 1.120 547 R HN 0.878 nan 8.270 nan 0.000 0.561 548 S N 0.506 115.771 115.700 -0.726 0.000 2.380 548 S HA -0.174 4.296 4.470 0.001 0.000 0.217 548 S C 1.474 175.539 174.600 -0.893 0.000 1.036 548 S CA 1.724 58.930 58.200 -1.657 0.000 1.050 548 S CB -0.314 62.123 63.200 -1.272 0.000 1.016 548 S HN 0.771 nan 8.310 nan 0.000 0.419 549 E N 0.886 120.789 120.200 -0.494 0.000 2.510 549 E HA -0.103 4.248 4.350 0.001 0.000 0.202 549 E C 0.883 177.342 176.600 -0.235 0.000 1.072 549 E CA 0.871 57.090 56.400 -0.303 0.000 0.883 549 E CB -0.448 29.136 29.700 -0.193 0.000 0.818 549 E HN 0.723 nan 8.360 nan 0.000 0.548 550 E N -0.021 120.027 120.200 -0.255 0.000 2.423 550 E HA 0.125 4.476 4.350 0.001 0.000 0.198 550 E C -0.959 175.549 176.600 -0.153 0.000 1.038 550 E CA -0.333 55.969 56.400 -0.162 0.000 1.011 550 E CB 0.177 29.807 29.700 -0.117 0.000 1.118 550 E HN 0.172 nan 8.360 nan 0.000 0.451 551 c N 0.696 119.180 118.600 -0.193 0.000 2.369 551 c HA 0.350 4.921 4.570 0.001 0.000 0.358 551 c C 1.542 175.587 174.090 -0.074 0.000 1.274 551 c CA -0.694 55.559 56.329 -0.126 0.000 1.935 551 c CB -0.580 41.841 42.510 -0.148 0.000 2.431 551 c HN 0.524 nan 8.230 nan 0.000 0.545 552 L N 4.374 125.568 121.223 -0.047 0.000 1.913 552 L HA 0.083 4.424 4.340 0.001 0.000 0.215 552 L C 1.562 178.414 176.870 -0.031 0.000 1.117 552 L CA 0.717 55.532 54.840 -0.041 0.000 0.798 552 L CB -1.175 40.861 42.059 -0.038 0.000 0.893 552 L HN 0.777 nan 8.230 nan 0.000 0.440 553 S N 0.454 116.139 115.700 -0.025 0.000 2.562 553 S HA 0.211 4.682 4.470 0.001 0.000 0.281 553 S C 0.529 175.132 174.600 0.005 0.000 1.333 553 S CA -0.379 57.807 58.200 -0.022 0.000 1.052 553 S CB 0.792 63.965 63.200 -0.044 0.000 0.884 553 S HN 0.415 nan 8.310 nan 0.000 0.506 554 G N 0.837 109.641 108.800 0.007 0.000 2.843 554 G HA2 0.360 4.321 3.960 0.001 0.000 0.275 554 G HA3 0.360 4.321 3.960 0.001 0.000 0.275 554 G C 0.327 175.261 174.900 0.058 0.000 0.709 554 G CA -0.197 44.923 45.100 0.033 0.000 2.089 554 G HN 0.883 nan 8.290 nan 0.000 0.571 555 T N 1.167 115.778 114.554 0.095 0.000 3.641 555 T HA 0.091 4.442 4.350 0.001 0.000 0.313 555 T C -0.342 174.458 174.700 0.165 0.000 0.952 555 T CA -0.772 61.389 62.100 0.102 0.000 1.004 555 T CB -0.508 68.399 68.868 0.064 0.000 1.209 555 T HN 0.414 nan 8.240 nan 0.000 0.493 556 W N 2.605 123.905 121.300 0.001 0.000 2.251 556 W HA 0.524 5.185 4.660 0.001 0.000 0.327 556 W C 0.183 176.723 176.519 0.035 0.000 1.361 556 W CA 0.481 57.835 57.345 0.015 0.000 1.234 556 W CB 0.694 30.155 29.460 0.003 0.000 1.212 556 W HN 0.176 nan 8.180 nan 0.000 0.557 557 T N 5.103 119.434 114.554 -0.370 0.000 2.933 557 T HA 0.263 4.614 4.350 0.001 0.000 0.305 557 T C -0.120 174.231 174.700 -0.581 0.000 1.092 557 T CA -0.503 61.380 62.100 -0.362 0.000 1.008 557 T CB 1.626 70.414 68.868 -0.133 0.000 1.102 557 T HN 0.568 nan 8.240 nan 0.000 0.469 558 Q N 1.529 121.035 119.800 -0.491 0.000 2.171 558 Q HA 0.265 4.606 4.340 0.001 0.000 0.218 558 Q C 1.018 176.871 176.000 -0.246 0.000 0.822 558 Q CA -0.030 55.529 55.803 -0.407 0.000 0.987 558 Q CB 0.806 29.290 28.738 -0.423 0.000 1.144 558 Q HN 0.689 nan 8.270 nan 0.000 0.494 559 Q N -0.648 119.024 119.800 -0.214 0.000 2.215 559 Q HA 0.214 4.555 4.340 0.001 0.000 0.257 559 Q C -0.006 175.912 176.000 -0.136 0.000 0.792 559 Q CA 0.083 55.770 55.803 -0.193 0.000 0.958 559 Q CB 1.832 30.453 28.738 -0.195 0.000 1.158 559 Q HN 0.108 nan 8.270 nan 0.000 0.490 560 I N 1.090 121.572 120.570 -0.148 0.000 2.406 560 I HA 0.346 4.516 4.170 0.001 0.000 0.290 560 I C -0.593 175.550 176.117 0.044 0.000 0.999 560 I CA -0.917 60.282 61.300 -0.169 0.000 1.124 560 I CB 1.437 39.270 38.000 -0.279 0.000 1.289 560 I HN 0.063 nan 8.210 nan 0.000 0.441 561 c N 6.830 125.587 118.600 0.263 0.000 2.609 561 c HA 0.631 5.201 4.570 0.001 0.000 0.313 561 c C -0.001 174.178 174.090 0.149 0.000 1.175 561 c CA -0.656 55.728 56.329 0.092 0.000 1.434 561 c CB 1.944 44.446 42.510 -0.013 0.000 2.005 561 c HN 0.601 nan 8.230 nan 0.000 0.471 562 L N 4.277 125.549 121.223 0.081 0.000 2.331 562 L HA 0.538 4.879 4.340 0.001 0.000 0.275 562 L C -2.239 174.686 176.870 0.091 0.000 1.022 562 L CA -1.635 53.275 54.840 0.116 0.000 0.812 562 L CB 1.669 43.797 42.059 0.115 0.000 1.257 562 L HN 0.365 nan 8.230 nan 0.000 0.435 563 P HA 0.329 nan 4.420 nan 0.000 0.274 563 P C -1.350 176.054 177.300 0.173 0.000 1.231 563 P CA -0.396 62.813 63.100 0.182 0.000 0.790 563 P CB 1.048 32.928 31.700 0.300 0.000 0.951 564 A N 2.525 125.454 122.820 0.182 0.000 2.429 564 A HA 0.582 4.903 4.320 0.001 0.000 0.289 564 A C -0.637 177.151 177.584 0.339 0.000 1.043 564 A CA -0.583 51.610 52.037 0.261 0.000 0.722 564 A CB 0.566 19.708 19.000 0.237 0.000 1.243 564 A HN 0.398 nan 8.150 nan 0.000 0.415 565 I N 1.400 122.160 120.570 0.316 0.000 2.577 565 I HA 0.314 4.484 4.170 0.001 0.000 0.300 565 I C 0.357 176.603 176.117 0.215 0.000 0.990 565 I CA -0.203 61.222 61.300 0.208 0.000 1.283 565 I CB 1.383 39.380 38.000 -0.005 0.000 1.411 565 I HN 0.869 nan 8.210 nan 0.000 0.515 566 Y N 3.899 124.123 120.300 -0.126 0.000 2.666 566 Y HA 0.357 4.907 4.550 0.001 0.000 0.260 566 Y C -0.260 175.546 175.900 -0.158 0.000 1.089 566 Y CA -0.318 57.744 58.100 -0.063 0.000 1.246 566 Y CB 0.473 38.847 38.460 -0.144 0.000 1.353 566 Y HN 0.613 nan 8.280 nan 0.000 0.558 567 K N -0.657 119.445 120.400 -0.497 0.000 3.342 567 K HA 0.567 4.888 4.320 0.001 0.000 0.345 567 K C -2.355 173.855 176.600 -0.650 0.000 1.095 567 K CA 0.001 55.931 56.287 -0.595 0.000 0.829 567 K CB 0.368 32.508 32.500 -0.601 0.000 1.471 567 K HN -0.208 nan 8.250 nan 0.000 0.428 568 V N 1.358 120.885 119.914 -0.646 0.000 3.012 568 V HA 0.691 4.812 4.120 0.001 0.000 0.307 568 V C -1.449 174.238 176.094 -0.679 0.000 1.166 568 V CA -0.760 61.262 62.300 -0.462 0.000 0.974 568 V CB 1.916 33.641 31.823 -0.163 0.000 1.040 568 V HN 0.585 nan 8.190 nan 0.000 0.428 569 F N 3.457 123.397 119.950 -0.017 0.000 2.536 569 F HA 0.707 5.235 4.527 0.001 0.000 0.322 569 F C -2.536 173.275 175.800 0.018 0.000 1.144 569 F CA -1.977 56.027 58.000 0.007 0.000 0.924 569 F CB 2.255 41.247 39.000 -0.014 0.000 1.181 569 F HN 0.293 nan 8.300 nan 0.000 0.438 570 P HA 0.386 nan 4.420 nan 0.000 0.287 570 P C 0.006 177.386 177.300 0.133 0.000 1.296 570 P CA -0.501 62.707 63.100 0.180 0.000 0.811 570 P CB 1.114 32.901 31.700 0.145 0.000 1.211 571 N N -0.697 118.041 118.700 0.065 0.000 2.006 571 N HA -0.092 4.649 4.740 0.001 0.000 0.196 571 N C 1.010 176.505 175.510 -0.024 0.000 1.057 571 N CA 1.585 54.657 53.050 0.036 0.000 0.853 571 N CB -1.066 37.409 38.487 -0.020 0.000 1.051 571 N HN 0.583 nan 8.380 nan 0.000 0.423 572 S N -0.841 114.780 115.700 -0.132 0.000 2.719 572 S HA 0.806 5.276 4.470 0.001 0.000 0.285 572 S C -0.481 173.945 174.600 -0.291 0.000 1.137 572 S CA -0.310 57.668 58.200 -0.369 0.000 1.012 572 S CB 2.107 65.170 63.200 -0.229 0.000 1.134 572 S HN 0.459 nan 8.310 nan 0.000 0.544 573 A N 0.426 123.022 122.820 -0.373 0.000 2.573 573 A HA 0.686 5.007 4.320 0.001 0.000 0.299 573 A C -3.362 174.253 177.584 0.052 0.000 1.060 573 A CA -1.294 50.688 52.037 -0.091 0.000 0.736 573 A CB 0.486 19.545 19.000 0.098 0.000 1.280 573 A HN 0.580 nan 8.150 nan 0.000 0.401 574 P HA 0.222 nan 4.420 nan 0.000 0.269 574 P C 1.160 178.627 177.300 0.278 0.000 1.217 574 P CA -0.275 62.923 63.100 0.165 0.000 0.783 574 P CB 0.490 32.254 31.700 0.106 0.000 0.898 575 L N 0.973 122.285 121.223 0.150 0.000 1.941 575 L HA -0.248 4.093 4.340 0.001 0.000 0.224 575 L C 1.966 178.779 176.870 -0.096 0.000 1.081 575 L CA 1.908 56.748 54.840 -0.001 0.000 0.784 575 L CB -0.896 41.145 42.059 -0.029 0.000 0.894 575 L HN 0.365 nan 8.230 nan 0.000 0.436 576 E N 0.185 120.372 120.200 -0.022 0.000 2.371 576 E HA 0.042 4.392 4.350 0.001 0.000 0.194 576 E C 0.903 177.533 176.600 0.050 0.000 1.012 576 E CA 0.201 56.589 56.400 -0.020 0.000 0.860 576 E CB -0.322 29.371 29.700 -0.011 0.000 0.811 576 E HN 0.383 nan 8.360 nan 0.000 0.502 577 G N 0.714 109.579 108.800 0.109 0.000 2.255 577 G HA2 0.206 4.167 3.960 0.001 0.000 0.267 577 G HA3 0.206 4.167 3.960 0.001 0.000 0.267 577 G C 0.552 175.549 174.900 0.162 0.000 1.177 577 G CA 0.132 45.309 45.100 0.128 0.000 1.027 577 G HN 0.198 nan 8.290 nan 0.000 0.437 578 G N 2.963 111.824 108.800 0.103 0.000 3.008 578 G HA2 0.386 4.347 3.960 0.001 0.000 0.272 578 G HA3 0.386 4.347 3.960 0.001 0.000 0.272 578 G C 0.886 175.831 174.900 0.073 0.000 0.764 578 G CA 0.218 45.370 45.100 0.088 0.000 2.029 578 G HN 0.908 nan 8.290 nan 0.000 0.587 579 T N -1.148 113.466 114.554 0.100 0.000 2.868 579 T HA 0.462 4.813 4.350 0.001 0.000 0.292 579 T C 0.455 175.177 174.700 0.038 0.000 1.028 579 T CA -0.683 61.462 62.100 0.076 0.000 1.059 579 T CB 1.593 70.526 68.868 0.109 0.000 0.991 579 T HN 0.276 nan 8.240 nan 0.000 0.531 580 R N 1.163 121.678 120.500 0.024 0.000 2.298 580 R HA 0.483 4.824 4.340 0.001 0.000 0.310 580 R C -0.349 175.947 176.300 -0.007 0.000 1.068 580 R CA -0.306 55.792 56.100 -0.003 0.000 0.957 580 R CB 0.352 30.650 30.300 -0.003 0.000 1.003 580 R HN 0.589 nan 8.270 nan 0.000 0.454 581 L N 2.493 123.681 121.223 -0.058 0.000 2.289 581 L HA 0.381 4.722 4.340 0.001 0.000 0.285 581 L C -0.252 176.587 176.870 -0.051 0.000 1.049 581 L CA -0.321 54.472 54.840 -0.079 0.000 0.804 581 L CB 1.834 43.763 42.059 -0.217 0.000 1.195 581 L HN 0.646 nan 8.230 nan 0.000 0.428 582 T N 4.707 119.274 114.554 0.021 0.000 2.821 582 T HA 0.489 4.840 4.350 0.001 0.000 0.307 582 T C -0.008 174.715 174.700 0.038 0.000 1.034 582 T CA -0.239 61.893 62.100 0.053 0.000 0.953 582 T CB 0.487 69.441 68.868 0.142 0.000 0.968 582 T HN 0.274 nan 8.240 nan 0.000 0.462 583 I N 2.811 123.340 120.570 -0.068 0.000 2.307 583 I HA 0.264 4.434 4.170 0.001 0.000 0.287 583 I C 0.182 176.293 176.117 -0.009 0.000 1.054 583 I CA -0.583 60.635 61.300 -0.137 0.000 1.218 583 I CB 0.486 38.304 38.000 -0.303 0.000 1.398 583 I HN 0.540 nan 8.210 nan 0.000 0.475 584 C N 5.368 124.682 119.300 0.023 0.000 2.435 584 C HA 0.831 5.292 4.460 0.001 0.000 0.375 584 C C 1.053 176.037 174.990 -0.010 0.000 1.281 584 C CA 0.290 59.337 59.018 0.050 0.000 1.963 584 C CB -0.187 27.606 27.740 0.089 0.000 2.490 584 C HN 1.055 nan 8.230 nan 0.000 0.557 585 G N 2.669 111.339 108.800 -0.218 0.000 2.485 585 G HA2 0.385 4.346 3.960 0.001 0.000 0.182 585 G HA3 0.385 4.346 3.960 0.001 0.000 0.182 585 G C -1.778 172.376 174.900 -1.244 0.000 1.172 585 G CA -0.317 44.369 45.100 -0.690 0.000 0.996 585 G HN 0.595 nan 8.290 nan 0.000 0.496 586 W N 0.033 120.778 121.300 -0.924 0.000 3.029 586 W HA 0.424 5.084 4.660 0.001 0.000 0.339 586 W C -0.522 175.441 176.519 -0.925 0.000 1.198 586 W CA -0.032 56.854 57.345 -0.766 0.000 1.148 586 W CB 1.295 30.499 29.460 -0.427 0.000 1.451 586 W HN 0.597 nan 8.180 nan 0.000 0.564 587 D N 1.086 121.286 120.400 -0.333 0.000 2.713 587 D HA -0.223 4.417 4.640 0.001 0.000 0.231 587 D C 0.630 176.862 176.300 -0.114 0.000 1.173 587 D CA 1.042 54.891 54.000 -0.252 0.000 0.628 587 D CB -1.474 39.204 40.800 -0.204 0.000 1.033 587 D HN 0.105 nan 8.370 nan 0.000 0.419 588 F N 0.098 120.040 119.950 -0.014 0.000 2.802 588 F HA 0.209 4.737 4.527 0.001 0.000 0.300 588 F C 2.073 177.886 175.800 0.021 0.000 1.168 588 F CA 0.281 58.281 58.000 -0.001 0.000 1.433 588 F CB -0.001 38.983 39.000 -0.026 0.000 1.115 588 F HN 0.048 nan 8.300 nan 0.000 0.582 589 G N -1.402 107.509 108.800 0.186 0.000 2.537 589 G HA2 0.472 4.433 3.960 0.001 0.000 0.323 589 G HA3 0.472 4.433 3.960 0.001 0.000 0.323 589 G C -1.785 173.279 174.900 0.273 0.000 1.207 589 G CA -0.454 44.779 45.100 0.221 0.000 0.976 589 G HN -0.020 nan 8.290 nan 0.000 0.487 590 F N -0.025 119.955 119.950 0.050 0.000 2.522 590 F HA 0.634 5.162 4.527 0.001 0.000 0.324 590 F C 0.465 176.015 175.800 -0.416 0.000 1.077 590 F CA -1.248 56.619 58.000 -0.220 0.000 0.944 590 F CB 2.074 40.916 39.000 -0.263 0.000 1.175 590 F HN 0.351 nan 8.300 nan 0.000 0.468 591 R N 5.277 125.098 120.500 -1.131 0.000 2.280 591 R HA 0.404 4.744 4.340 0.001 0.000 0.326 591 R C -1.144 174.813 176.300 -0.572 0.000 1.080 591 R CA -0.628 54.734 56.100 -1.230 0.000 1.002 591 R CB 0.387 29.826 30.300 -1.436 0.000 1.136 591 R HN 0.685 nan 8.270 nan 0.000 0.509 592 R N 3.506 123.871 120.500 -0.225 0.000 2.711 592 R HA 0.363 4.704 4.340 0.001 0.000 0.284 592 R C 0.214 176.455 176.300 -0.098 0.000 0.968 592 R CA -0.138 55.944 56.100 -0.030 0.000 0.924 592 R CB 0.587 30.954 30.300 0.110 0.000 1.162 592 R HN 0.825 nan 8.270 nan 0.000 0.465 593 N N 1.869 120.530 118.700 -0.065 0.000 3.594 593 N HA -0.307 4.434 4.740 0.001 0.000 0.203 593 N C -0.391 175.062 175.510 -0.094 0.000 0.298 593 N CA 2.091 55.103 53.050 -0.064 0.000 2.288 593 N CB -1.076 37.382 38.487 -0.048 0.000 1.381 593 N HN 0.782 nan 8.380 nan 0.000 0.377 594 N N 0.665 119.299 118.700 -0.109 0.000 2.162 594 N HA 0.089 4.829 4.740 0.001 0.000 0.232 594 N C -1.178 174.251 175.510 -0.136 0.000 1.361 594 N CA 0.062 53.037 53.050 -0.125 0.000 0.786 594 N CB 1.283 39.724 38.487 -0.076 0.000 1.290 594 N HN 0.339 nan 8.380 nan 0.000 0.505 595 K N 0.029 120.325 120.400 -0.173 0.000 2.409 595 K HA 0.521 4.842 4.320 0.001 0.000 0.252 595 K C -0.938 175.512 176.600 -0.250 0.000 1.036 595 K CA -0.446 55.776 56.287 -0.108 0.000 0.871 595 K CB 1.258 33.736 32.500 -0.037 0.000 1.374 595 K HN -0.184 nan 8.250 nan 0.000 0.459 596 F N 1.034 120.946 119.950 -0.063 0.000 2.532 596 F HA 0.349 4.876 4.527 0.001 0.000 0.321 596 F C 0.032 175.817 175.800 -0.025 0.000 1.089 596 F CA -0.026 57.940 58.000 -0.057 0.000 0.926 596 F CB 1.918 40.861 39.000 -0.095 0.000 1.168 596 F HN 0.627 nan 8.300 nan 0.000 0.459 597 D N 1.504 122.013 120.400 0.181 0.000 2.692 597 D HA 0.169 4.810 4.640 0.001 0.000 0.290 597 D C -1.078 175.287 176.300 0.109 0.000 1.281 597 D CA -0.573 53.495 54.000 0.113 0.000 0.804 597 D CB 1.010 41.843 40.800 0.054 0.000 1.331 597 D HN 0.458 nan 8.370 nan 0.000 0.432 598 L N 0.639 121.900 121.223 0.064 0.000 2.728 598 L HA 0.262 4.603 4.340 0.001 0.000 0.235 598 L C 2.210 179.081 176.870 0.002 0.000 1.197 598 L CA -0.463 54.406 54.840 0.048 0.000 0.992 598 L CB -0.202 41.877 42.059 0.034 0.000 1.263 598 L HN 0.399 nan 8.230 nan 0.000 0.484 599 K N 1.532 121.925 120.400 -0.011 0.000 2.034 599 K HA -0.216 4.104 4.320 0.001 0.000 0.214 599 K C 1.570 178.116 176.600 -0.090 0.000 1.051 599 K CA 1.775 58.030 56.287 -0.054 0.000 0.931 599 K CB 0.142 32.600 32.500 -0.070 0.000 0.715 599 K HN 0.259 nan 8.250 nan 0.000 0.446 600 K N 0.136 120.457 120.400 -0.132 0.000 2.404 600 K HA 0.058 4.379 4.320 0.001 0.000 0.194 600 K C -0.144 176.396 176.600 -0.099 0.000 1.023 600 K CA 0.042 56.224 56.287 -0.174 0.000 1.094 600 K CB 0.590 32.872 32.500 -0.364 0.000 0.841 600 K HN 0.116 nan 8.250 nan 0.000 0.523 601 T N 1.751 116.274 114.554 -0.052 0.000 2.902 601 T HA 0.093 4.444 4.350 0.001 0.000 0.301 601 T C -0.062 174.602 174.700 -0.060 0.000 1.012 601 T CA 0.291 62.372 62.100 -0.031 0.000 1.151 601 T CB 0.608 69.469 68.868 -0.011 0.000 0.946 601 T HN 0.073 nan 8.240 nan 0.000 0.542 602 R N 1.691 122.153 120.500 -0.063 0.000 2.725 602 R HA 0.670 5.011 4.340 0.001 0.000 0.277 602 R C -1.785 174.457 176.300 -0.096 0.000 0.987 602 R CA -0.593 55.462 56.100 -0.074 0.000 0.901 602 R CB 1.571 31.838 30.300 -0.055 0.000 1.207 602 R HN 0.474 nan 8.270 nan 0.000 0.463 603 V N 4.453 124.302 119.914 -0.109 0.000 2.604 603 V HA 0.543 4.663 4.120 0.001 0.000 0.305 603 V C -1.073 174.960 176.094 -0.101 0.000 1.043 603 V CA -0.893 61.331 62.300 -0.127 0.000 0.888 603 V CB 1.886 33.602 31.823 -0.178 0.000 0.995 603 V HN 0.506 nan 8.190 nan 0.000 0.429 604 L N 5.090 126.259 121.223 -0.089 0.000 2.356 604 L HA 0.565 4.906 4.340 0.001 0.000 0.277 604 L C -0.812 176.009 176.870 -0.082 0.000 0.996 604 L CA -0.542 54.257 54.840 -0.069 0.000 0.822 604 L CB 1.773 43.808 42.059 -0.040 0.000 1.256 604 L HN 0.630 nan 8.230 nan 0.000 0.413 605 L N 5.496 126.667 121.223 -0.086 0.000 2.556 605 L HA 0.505 4.846 4.340 0.001 0.000 0.245 605 L C 0.945 177.777 176.870 -0.063 0.000 1.174 605 L CA 1.009 55.792 54.840 -0.095 0.000 1.117 605 L CB -0.006 41.983 42.059 -0.117 0.000 1.409 605 L HN 0.944 nan 8.230 nan 0.000 0.411 606 G N 2.793 111.566 108.800 -0.045 0.000 5.206 606 G HA2 -0.492 3.469 3.960 0.001 0.000 0.328 606 G HA3 -0.492 3.469 3.960 0.001 0.000 0.328 606 G C 1.069 175.954 174.900 -0.026 0.000 1.382 606 G CA 0.705 45.783 45.100 -0.037 0.000 0.994 606 G HN 0.554 nan 8.290 nan 0.000 0.800 607 N N 0.623 119.300 118.700 -0.039 0.000 2.460 607 N HA 0.182 4.923 4.740 0.001 0.000 0.193 607 N C 0.341 175.838 175.510 -0.020 0.000 1.080 607 N CA 0.965 54.005 53.050 -0.018 0.000 0.869 607 N CB 0.377 38.859 38.487 -0.009 0.000 1.201 607 N HN 0.459 nan 8.380 nan 0.000 0.457 608 E N 0.363 120.546 120.200 -0.028 0.000 2.214 608 E HA 0.245 4.596 4.350 0.001 0.000 0.274 608 E C -0.361 176.219 176.600 -0.032 0.000 0.977 608 E CA -0.366 56.020 56.400 -0.023 0.000 0.827 608 E CB 1.730 31.422 29.700 -0.014 0.000 1.130 608 E HN 0.293 nan 8.360 nan 0.000 0.394 609 S N 0.225 115.905 115.700 -0.033 0.000 2.600 609 S HA 0.204 4.675 4.470 0.001 0.000 0.265 609 S C 0.240 174.807 174.600 -0.055 0.000 1.325 609 S CA -0.854 57.319 58.200 -0.045 0.000 1.002 609 S CB 0.861 64.037 63.200 -0.041 0.000 0.921 609 S HN 0.545 nan 8.310 nan 0.000 0.554 610 c N 3.238 121.793 118.600 -0.075 0.000 2.321 610 c HA 0.549 5.119 4.570 0.001 0.000 0.323 610 c C 0.426 174.465 174.090 -0.085 0.000 1.191 610 c CA -0.565 55.709 56.329 -0.093 0.000 1.455 610 c CB -0.810 41.614 42.510 -0.143 0.000 2.083 610 c HN 0.966 nan 8.230 nan 0.000 0.442 611 T N 5.453 119.968 114.554 -0.065 0.000 2.759 611 T HA 0.208 4.559 4.350 0.001 0.000 0.273 611 T C 0.055 174.716 174.700 -0.066 0.000 0.938 611 T CA -0.024 62.041 62.100 -0.057 0.000 1.197 611 T CB -0.231 68.613 68.868 -0.040 0.000 0.887 611 T HN 0.647 nan 8.240 nan 0.000 0.540 612 L N 4.209 125.388 121.223 -0.073 0.000 2.380 612 L HA 0.281 4.622 4.340 0.001 0.000 0.273 612 L C 1.240 178.075 176.870 -0.057 0.000 1.138 612 L CA -0.500 54.294 54.840 -0.076 0.000 0.832 612 L CB 0.715 42.723 42.059 -0.086 0.000 1.124 612 L HN 0.792 nan 8.230 nan 0.000 0.454 613 T N 1.404 115.926 114.554 -0.053 0.000 2.811 613 T HA 0.329 4.680 4.350 0.001 0.000 0.309 613 T C 1.233 175.909 174.700 -0.039 0.000 1.005 613 T CA -0.735 61.340 62.100 -0.041 0.000 0.955 613 T CB 0.393 69.241 68.868 -0.034 0.000 0.970 613 T HN 0.458 nan 8.240 nan 0.000 0.496 614 L N 2.905 124.107 121.223 -0.036 0.000 2.083 614 L HA -0.077 4.264 4.340 0.001 0.000 0.209 614 L C 2.981 179.838 176.870 -0.023 0.000 1.083 614 L CA 1.379 56.201 54.840 -0.030 0.000 0.752 614 L CB -0.692 41.350 42.059 -0.028 0.000 0.899 614 L HN 0.823 nan 8.230 nan 0.000 0.433 615 S N -0.897 114.790 115.700 -0.022 0.000 2.537 615 S HA -0.167 4.303 4.470 0.001 0.000 0.240 615 S C 1.354 175.943 174.600 -0.018 0.000 0.981 615 S CA 1.048 59.237 58.200 -0.018 0.000 0.948 615 S CB -0.232 62.958 63.200 -0.018 0.000 0.759 615 S HN 0.546 nan 8.310 nan 0.000 0.531 616 E N 0.253 120.440 120.200 -0.022 0.000 2.630 616 E HA 0.261 4.612 4.350 0.001 0.000 0.218 616 E C -0.689 175.897 176.600 -0.023 0.000 0.977 616 E CA -0.209 56.178 56.400 -0.022 0.000 1.038 616 E CB 1.098 30.784 29.700 -0.025 0.000 1.051 616 E HN 0.409 nan 8.360 nan 0.000 0.487 617 S N 0.297 115.985 115.700 -0.020 0.000 2.566 617 S HA 0.492 4.963 4.470 0.001 0.000 0.298 617 S C 0.062 174.663 174.600 0.003 0.000 1.083 617 S CA -0.803 57.389 58.200 -0.014 0.000 0.978 617 S CB 2.011 65.194 63.200 -0.029 0.000 1.073 617 S HN 0.212 nan 8.310 nan 0.000 0.491 618 T N -1.340 113.226 114.554 0.021 0.000 2.807 618 T HA 0.454 4.805 4.350 0.001 0.000 0.277 618 T C 0.780 175.518 174.700 0.062 0.000 1.006 618 T CA -0.944 61.169 62.100 0.021 0.000 1.006 618 T CB 0.509 69.373 68.868 -0.006 0.000 1.274 618 T HN 0.353 nan 8.240 nan 0.000 0.569 619 M N 1.094 120.703 119.600 0.016 0.000 2.722 619 M HA 0.170 4.651 4.480 0.001 0.000 0.238 619 M C 0.449 176.708 176.300 -0.067 0.000 1.098 619 M CA 0.592 55.889 55.300 -0.005 0.000 1.062 619 M CB -1.248 31.284 32.600 -0.113 0.000 1.573 619 M HN 0.562 nan 8.290 nan 0.000 0.531 620 N N -0.445 118.244 118.700 -0.017 0.000 2.075 620 N HA 0.098 4.839 4.740 0.001 0.000 0.226 620 N C -0.450 175.092 175.510 0.052 0.000 1.343 620 N CA 0.335 53.298 53.050 -0.146 0.000 0.881 620 N CB 1.563 39.935 38.487 -0.191 0.000 1.100 620 N HN 0.072 nan 8.380 nan 0.000 0.495 621 T N 1.349 115.997 114.554 0.156 0.000 2.991 621 T HA 0.482 4.833 4.350 0.001 0.000 0.303 621 T C -1.415 173.320 174.700 0.060 0.000 1.015 621 T CA -0.345 61.821 62.100 0.110 0.000 1.007 621 T CB 1.975 70.856 68.868 0.021 0.000 1.034 621 T HN -0.200 nan 8.240 nan 0.000 0.446 622 L N 3.590 124.788 121.223 -0.040 0.000 2.346 622 L HA 0.614 4.954 4.340 0.001 0.000 0.276 622 L C -0.126 176.676 176.870 -0.114 0.000 1.006 622 L CA -0.448 54.303 54.840 -0.150 0.000 0.817 622 L CB 1.611 43.442 42.059 -0.380 0.000 1.272 622 L HN 0.482 nan 8.230 nan 0.000 0.421 623 K N 2.954 123.297 120.400 -0.094 0.000 2.426 623 K HA 0.790 5.110 4.320 0.001 0.000 0.254 623 K C -1.267 175.283 176.600 -0.083 0.000 0.936 623 K CA -0.555 55.687 56.287 -0.075 0.000 0.801 623 K CB 2.149 34.620 32.500 -0.048 0.000 1.139 623 K HN 0.788 nan 8.250 nan 0.000 0.424 624 c N -0.458 118.089 118.600 -0.088 0.000 3.241 624 c HA 0.514 5.085 4.570 0.001 0.000 0.348 624 c C 0.126 174.171 174.090 -0.076 0.000 1.180 624 c CA -0.919 55.359 56.329 -0.085 0.000 1.273 624 c CB 0.770 43.214 42.510 -0.110 0.000 1.620 624 c HN 0.914 nan 8.230 nan 0.000 0.510 625 T N 0.798 115.320 114.554 -0.053 0.000 2.913 625 T HA 0.546 4.897 4.350 0.001 0.000 0.297 625 T C 0.642 175.320 174.700 -0.036 0.000 1.029 625 T CA -0.072 62.009 62.100 -0.032 0.000 1.104 625 T CB 1.239 70.099 68.868 -0.014 0.000 0.964 625 T HN 0.971 nan 8.240 nan 0.000 0.532 626 V N 2.277 122.186 119.914 -0.008 0.000 2.784 626 V HA 0.405 4.525 4.120 0.001 0.000 0.231 626 V C 1.673 177.829 176.094 0.103 0.000 1.128 626 V CA 0.732 63.032 62.300 0.000 0.000 1.178 626 V CB -0.721 31.080 31.823 -0.038 0.000 0.943 626 V HN 1.134 nan 8.190 nan 0.000 0.500 627 G N 1.368 110.276 108.800 0.180 0.000 2.377 627 G HA2 0.597 4.558 3.960 0.001 0.000 0.299 627 G HA3 0.597 4.558 3.960 0.001 0.000 0.299 627 G C -2.709 172.232 174.900 0.070 0.000 1.150 627 G CA -0.485 44.745 45.100 0.217 0.000 0.847 627 G HN 0.286 nan 8.290 nan 0.000 0.501 635 N N 2.238 121.238 118.700 0.500 0.000 2.946 635 N HA 0.278 5.019 4.740 0.001 0.000 0.213 635 N C -1.706 173.955 175.510 0.251 0.000 1.440 635 N CA -0.025 53.162 53.050 0.229 0.000 0.745 635 N CB 0.496 39.041 38.487 0.096 0.000 1.471 635 N HN 0.563 nan 8.380 nan 0.000 0.569 636 M N 0.228 119.943 119.600 0.192 0.000 2.368 636 M HA 0.339 4.820 4.480 0.001 0.000 0.311 636 M C 0.675 177.031 176.300 0.094 0.000 1.168 636 M CA -0.318 55.052 55.300 0.117 0.000 1.044 636 M CB 1.335 33.930 32.600 -0.009 0.000 1.506 636 M HN 0.242 nan 8.290 nan 0.000 0.475 637 S N 1.721 117.460 115.700 0.065 0.000 2.442 637 S HA 0.590 5.061 4.470 0.001 0.000 0.297 637 S C -0.734 173.894 174.600 0.047 0.000 1.131 637 S CA -0.795 57.439 58.200 0.057 0.000 1.092 637 S CB 0.244 63.475 63.200 0.052 0.000 0.998 637 S HN 0.506 nan 8.310 nan 0.000 0.478 638 I N 5.717 126.329 120.570 0.070 0.000 2.331 638 I HA 0.399 4.570 4.170 0.001 0.000 0.292 638 I C -0.385 175.755 176.117 0.038 0.000 0.998 638 I CA -0.446 60.867 61.300 0.023 0.000 1.267 638 I CB 1.087 39.095 38.000 0.012 0.000 1.386 638 I HN 0.511 nan 8.210 nan 0.000 0.476 639 I N 7.248 127.819 120.570 0.002 0.000 2.378 639 I HA 0.452 4.623 4.170 0.001 0.000 0.291 639 I C -0.340 175.768 176.117 -0.015 0.000 0.992 639 I CA -0.464 60.846 61.300 0.016 0.000 1.154 639 I CB 1.611 39.624 38.000 0.021 0.000 1.315 639 I HN 0.389 nan 8.210 nan 0.000 0.448 640 I N 4.800 125.371 120.570 0.002 0.000 2.433 640 I HA 0.347 4.518 4.170 0.001 0.000 0.292 640 I C -0.050 176.089 176.117 0.037 0.000 1.001 640 I CA -0.397 60.886 61.300 -0.029 0.000 1.119 640 I CB 2.046 39.983 38.000 -0.105 0.000 1.289 640 I HN 0.519 nan 8.210 nan 0.000 0.438 641 S N 3.763 119.478 115.700 0.025 0.000 2.482 641 S HA 0.346 4.817 4.470 0.001 0.000 0.303 641 S C 0.214 174.859 174.600 0.074 0.000 1.091 641 S CA -0.745 57.494 58.200 0.066 0.000 1.057 641 S CB 1.147 64.375 63.200 0.047 0.000 1.031 641 S HN 0.716 nan 8.310 nan 0.000 0.485 642 N N 2.937 121.717 118.700 0.132 0.000 2.230 642 N HA 0.297 5.038 4.740 0.001 0.000 0.202 642 N C 1.178 176.783 175.510 0.159 0.000 1.119 642 N CA 0.497 53.633 53.050 0.144 0.000 0.851 642 N CB 0.417 39.013 38.487 0.181 0.000 0.990 642 N HN 1.066 nan 8.380 nan 0.000 0.497 643 G N -0.429 108.455 108.800 0.141 0.000 2.284 643 G HA2 -0.304 3.657 3.960 0.001 0.000 0.216 643 G HA3 -0.304 3.657 3.960 0.001 0.000 0.216 643 G C 0.785 175.920 174.900 0.392 0.000 1.009 643 G CA 0.320 45.495 45.100 0.125 0.000 0.625 643 G HN 0.430 nan 8.290 nan 0.000 0.501 644 H N 0.650 119.906 119.070 0.310 0.000 2.361 644 H HA 0.486 5.042 4.556 0.001 0.000 0.308 644 H C 1.645 177.049 175.328 0.126 0.000 1.053 644 H CA 1.874 58.046 56.048 0.207 0.000 1.377 644 H CB 0.176 30.009 29.762 0.119 0.000 1.434 644 H HN 0.851 nan 8.280 nan 0.000 0.548 645 G N -1.052 107.902 108.800 0.258 0.000 2.682 645 G HA2 0.463 4.424 3.960 0.001 0.000 0.303 645 G HA3 0.463 4.424 3.960 0.001 0.000 0.303 645 G C -0.917 174.069 174.900 0.142 0.000 1.341 645 G CA -0.148 45.050 45.100 0.163 0.000 0.784 645 G HN 0.326 nan 8.290 nan 0.000 0.497 646 T N -2.698 111.926 114.554 0.116 0.000 2.930 646 T HA 0.855 5.206 4.350 0.001 0.000 0.290 646 T C -0.356 174.413 174.700 0.117 0.000 1.052 646 T CA -0.533 61.630 62.100 0.106 0.000 1.017 646 T CB 1.991 70.906 68.868 0.080 0.000 1.137 646 T HN 0.726 nan 8.240 nan 0.000 0.511 647 T N 1.111 115.737 114.554 0.120 0.000 2.778 647 T HA 0.685 5.036 4.350 0.001 0.000 0.293 647 T C -1.531 173.245 174.700 0.126 0.000 1.144 647 T CA -1.000 61.182 62.100 0.137 0.000 1.010 647 T CB 1.862 70.839 68.868 0.180 0.000 1.325 647 T HN 0.815 nan 8.240 nan 0.000 0.515 648 Q N 0.002 119.895 119.800 0.155 0.000 2.423 648 Q HA 0.779 5.120 4.340 0.001 0.000 0.278 648 Q C -1.921 174.245 176.000 0.278 0.000 1.097 648 Q CA -1.019 54.882 55.803 0.162 0.000 0.809 648 Q CB 1.637 30.452 28.738 0.127 0.000 1.391 648 Q HN 0.695 nan 8.270 nan 0.000 0.428 649 Y N -0.052 120.267 120.300 0.032 0.000 2.274 649 Y HA 0.422 4.973 4.550 0.001 0.000 0.323 649 Y C -1.187 174.728 175.900 0.025 0.000 1.171 649 Y CA -0.722 57.392 58.100 0.024 0.000 1.163 649 Y CB 1.955 40.417 38.460 0.003 0.000 1.183 649 Y HN 0.737 nan 8.280 nan 0.000 0.424 650 S N 3.482 119.069 115.700 -0.190 0.000 2.912 650 S HA 0.346 4.816 4.470 0.001 0.000 0.184 650 S C 0.506 174.988 174.600 -0.195 0.000 1.390 650 S CA -0.133 57.997 58.200 -0.116 0.000 1.088 650 S CB 0.731 63.895 63.200 -0.060 0.000 1.284 650 S HN 0.780 nan 8.310 nan 0.000 0.502 651 T N 0.255 114.698 114.554 -0.186 0.000 3.254 651 T HA 0.215 4.566 4.350 0.001 0.000 0.267 651 T C 0.108 174.792 174.700 -0.027 0.000 0.946 651 T CA -0.410 61.586 62.100 -0.174 0.000 0.991 651 T CB -0.118 68.529 68.868 -0.368 0.000 1.205 651 T HN 0.509 nan 8.240 nan 0.000 0.494 652 F N 4.249 124.146 119.950 -0.089 0.000 2.590 652 F HA 0.350 4.878 4.527 0.001 0.000 0.389 652 F C -0.057 175.681 175.800 -0.103 0.000 1.049 652 F CA 0.029 57.970 58.000 -0.098 0.000 1.199 652 F CB 0.252 39.182 39.000 -0.116 0.000 1.058 652 F HN -0.077 nan 8.300 nan 0.000 0.556 653 S N 5.743 120.991 115.700 -0.754 0.000 2.503 653 S HA 0.315 4.785 4.470 0.001 0.000 0.301 653 S C -1.121 173.043 174.600 -0.726 0.000 1.087 653 S CA -0.443 57.463 58.200 -0.490 0.000 1.042 653 S CB 0.971 64.040 63.200 -0.218 0.000 1.043 653 S HN 0.493 nan 8.310 nan 0.000 0.489 654 Y N 3.081 123.231 120.300 -0.251 0.000 2.736 654 Y HA 0.257 4.808 4.550 0.001 0.000 0.339 654 Y C 0.757 176.618 175.900 -0.066 0.000 1.301 654 Y CA -0.886 57.127 58.100 -0.145 0.000 1.676 654 Y CB -0.710 37.769 38.460 0.031 0.000 1.725 654 Y HN 0.500 nan 8.280 nan 0.000 0.466 655 V N -1.239 118.688 119.914 0.022 0.000 3.441 655 V HA 0.338 4.459 4.120 0.001 0.000 0.300 655 V C 0.060 176.190 176.094 0.059 0.000 1.091 655 V CA -0.638 61.676 62.300 0.024 0.000 1.099 655 V CB 1.531 33.335 31.823 -0.030 0.000 1.138 655 V HN 0.380 nan 8.190 nan 0.000 0.471 656 D N 0.775 121.195 120.400 0.033 0.000 2.696 656 D HA 0.596 5.237 4.640 0.001 0.000 0.251 656 D C -2.615 173.694 176.300 0.016 0.000 1.188 656 D CA -1.110 52.908 54.000 0.030 0.000 0.876 656 D CB 1.733 42.547 40.800 0.023 0.000 1.334 656 D HN 0.688 nan 8.370 nan 0.000 0.540 657 P HA 0.715 nan 4.420 nan 0.000 0.277 657 P C -0.522 176.784 177.300 0.009 0.000 1.240 657 P CA -0.520 62.587 63.100 0.012 0.000 0.798 657 P CB 1.136 32.846 31.700 0.016 0.000 0.979 658 V N 0.000 119.917 119.914 0.006 0.000 2.409 658 V HA 0.000 4.121 4.120 0.001 0.000 0.244 658 V CA 0.000 nan 62.300 nan 0.000 1.235 658 V CB 0.000 nan 31.823 nan 0.000 1.184 658 V HN 0.000 nan 8.190 nan 0.000 0.556