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 2r6a_1_B DATA FIRST_RESID 9 DATA SEQUENCE IPPQSIEAEQ AVLGAVFLDP AALVPASEIL IPEDFYRAAH QKIFHAMLRV DATA SEQUENCE ADRGEPVDLV TVTAELAASE QLEEIGGVSY LSELADAVPT AANVEYYARI DATA SEQUENCE VEEKSVLRRL IRTATSIAQD GYTREDEIDV LLDEADRKIM EVSQRKHSGA DATA SEQUENCE FKNIKDILVQ TYDNIEXXXX XXXXITGIPT GFTELDRMTS GFQRSDLIIV DATA SEQUENCE AARPSVGKTA FALNIAQNVA TKTNENVAIF SLEMSAQQLV MRMLCAEGNI DATA SEQUENCE NAQNLRTGKL TPEDWGKLTM AMGSLSNAGI YIDDTPSIRV SDIRAKCRRL DATA SEQUENCE KQESGLGMIV IDYLQLIXXX XXXXXXXXXE VSEISRSLKA LARELEVPVI DATA SEQUENCE ALSQLXXXXX XXXXXXXXXX XXXXXXXXXX DADIVAFLXX XXXXXXXXXX DATA SEQUENCE XXIIEIIIAK QRNGPVGTVQ LAFIKEYNKF VNL 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 9 I HA 0.000 nan 4.170 nan 0.000 0.288 9 I C 0.000 176.054 176.117 -0.105 0.000 1.063 9 I CA 0.000 61.264 61.300 -0.061 0.000 1.566 9 I CB 0.000 37.962 38.000 -0.063 0.000 1.214 10 P HA 0.299 nan 4.420 nan 0.000 0.271 10 P C -2.534 174.589 177.300 -0.295 0.000 1.220 10 P CA -1.116 61.869 63.100 -0.191 0.000 0.768 10 P CB -0.178 31.420 31.700 -0.170 0.000 0.848 11 P HA -0.036 nan 4.420 nan 0.000 0.260 11 P C -0.465 176.694 177.300 -0.234 0.000 1.172 11 P CA 0.629 63.629 63.100 -0.167 0.000 0.760 11 P CB 0.185 31.824 31.700 -0.102 0.000 0.773 12 Q N 0.843 120.514 119.800 -0.214 0.000 2.633 12 Q HA 0.624 4.963 4.340 -0.000 0.000 0.289 12 Q C -1.545 174.395 176.000 -0.099 0.000 0.940 12 Q CA -0.970 54.714 55.803 -0.199 0.000 0.785 12 Q CB 1.210 29.717 28.738 -0.385 0.000 1.467 12 Q HN 0.143 nan 8.270 nan 0.000 0.401 13 S N 1.725 117.397 115.700 -0.046 0.000 2.312 13 S HA 0.263 4.733 4.470 -0.000 0.000 0.173 13 S C 0.769 175.397 174.600 0.046 0.000 1.488 13 S CA -0.550 57.644 58.200 -0.010 0.000 1.239 13 S CB 0.202 63.387 63.200 -0.026 0.000 1.215 13 S HN 0.608 nan 8.310 nan 0.000 0.438 14 I N 2.631 123.253 120.570 0.086 0.000 2.185 14 I HA -0.186 3.984 4.170 -0.000 0.000 0.246 14 I C 2.371 178.575 176.117 0.146 0.000 1.088 14 I CA 1.760 63.164 61.300 0.174 0.000 1.347 14 I CB -1.152 36.943 38.000 0.158 0.000 1.041 14 I HN 0.686 nan 8.210 nan 0.000 0.415 15 E N 0.862 121.105 120.200 0.072 0.000 2.077 15 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 15 E C 2.332 178.877 176.600 -0.093 0.000 0.989 15 E CA 1.469 57.876 56.400 0.012 0.000 0.800 15 E CB -0.158 29.561 29.700 0.032 0.000 0.746 15 E HN 0.534 nan 8.360 nan 0.000 0.452 16 A N 1.765 124.559 122.820 -0.043 0.000 1.877 16 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 16 A C 1.993 179.507 177.584 -0.117 0.000 1.186 16 A CA 1.455 53.445 52.037 -0.078 0.000 0.620 16 A CB -0.458 18.546 19.000 0.007 0.000 0.822 16 A HN 0.165 nan 8.150 nan 0.000 0.443 17 E N -0.331 119.863 120.200 -0.011 0.000 2.049 17 E HA -0.286 4.064 4.350 -0.000 0.000 0.198 17 E C 2.295 178.928 176.600 0.055 0.000 1.007 17 E CA 1.671 58.145 56.400 0.125 0.000 0.809 17 E CB -0.287 29.676 29.700 0.439 0.000 0.749 17 E HN 0.733 nan 8.360 nan 0.000 0.450 18 Q N 0.044 119.839 119.800 -0.008 0.000 2.135 18 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 18 Q C 2.187 178.096 176.000 -0.152 0.000 0.981 18 Q CA 1.322 57.064 55.803 -0.102 0.000 0.856 18 Q CB -0.158 28.573 28.738 -0.012 0.000 0.902 18 Q HN 0.258 nan 8.270 nan 0.000 0.425 19 A N 0.144 122.805 122.820 -0.266 0.000 1.898 19 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 19 A C 2.307 179.794 177.584 -0.163 0.000 1.181 19 A CA 1.181 53.000 52.037 -0.364 0.000 0.620 19 A CB -0.606 17.763 19.000 -1.051 0.000 0.819 19 A HN 0.204 nan 8.150 nan 0.000 0.442 20 V N 0.373 120.233 119.914 -0.089 0.000 2.261 20 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 20 V C 2.590 178.713 176.094 0.048 0.000 1.047 20 V CA 2.118 64.442 62.300 0.040 0.000 1.015 20 V CB -0.875 30.995 31.823 0.079 0.000 0.642 20 V HN 0.581 nan 8.190 nan 0.000 0.446 21 L N 0.373 121.607 121.223 0.018 0.000 2.046 21 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 21 L C 2.686 179.501 176.870 -0.092 0.000 1.077 21 L CA 1.720 56.510 54.840 -0.082 0.000 0.747 21 L CB -1.296 40.681 42.059 -0.136 0.000 0.896 21 L HN 0.476 nan 8.230 nan 0.000 0.432 22 G N -0.168 108.632 108.800 -0.001 0.000 2.418 22 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 22 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 22 G C 1.794 176.740 174.900 0.077 0.000 1.158 22 G CA 0.835 45.987 45.100 0.088 0.000 0.771 22 G HN 0.460 nan 8.290 nan 0.000 0.545 23 A N 0.111 122.948 122.820 0.028 0.000 1.933 23 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 23 A C 2.603 180.200 177.584 0.022 0.000 1.175 23 A CA 1.778 53.843 52.037 0.046 0.000 0.628 23 A CB -0.585 18.457 19.000 0.071 0.000 0.814 23 A HN 0.257 nan 8.150 nan 0.000 0.444 24 V N -1.083 118.800 119.914 -0.051 0.000 2.295 24 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 24 V C 2.304 178.315 176.094 -0.139 0.000 1.049 24 V CA 2.106 64.324 62.300 -0.136 0.000 1.024 24 V CB -1.018 30.658 31.823 -0.245 0.000 0.648 24 V HN 0.561 nan 8.190 nan 0.000 0.447 25 F N -0.570 119.377 119.950 -0.005 0.000 2.216 25 F HA -0.108 4.419 4.527 -0.000 0.000 0.300 25 F C 2.017 177.811 175.800 -0.011 0.000 1.085 25 F CA 1.305 59.294 58.000 -0.018 0.000 1.326 25 F CB -0.709 38.269 39.000 -0.038 0.000 1.027 25 F HN 0.121 nan 8.300 nan 0.000 0.497 26 L N -0.504 120.819 121.223 0.167 0.000 2.179 26 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 26 L C -0.082 176.830 176.870 0.070 0.000 1.096 26 L CA 1.557 56.458 54.840 0.101 0.000 0.779 26 L CB -0.075 42.031 42.059 0.078 0.000 0.922 26 L HN 0.020 nan 8.230 nan 0.000 0.443 27 D N -1.528 118.906 120.400 0.057 0.000 2.354 27 D HA 0.184 4.824 4.640 -0.000 0.000 0.230 27 D C -2.164 174.149 176.300 0.021 0.000 1.361 27 D CA -1.484 52.539 54.000 0.038 0.000 0.992 27 D CB 1.307 42.129 40.800 0.037 0.000 1.409 27 D HN -0.139 nan 8.370 nan 0.000 0.573 28 P HA -0.144 nan 4.420 nan 0.000 0.220 28 P C 1.174 178.467 177.300 -0.011 0.000 1.144 28 P CA 0.872 63.966 63.100 -0.011 0.000 0.800 28 P CB 0.222 31.919 31.700 -0.004 0.000 0.772 29 A N 0.604 123.426 122.820 0.004 0.000 2.019 29 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 29 A C 2.406 180.001 177.584 0.018 0.000 1.164 29 A CA 1.669 53.712 52.037 0.010 0.000 0.644 29 A CB -1.328 17.681 19.000 0.016 0.000 0.805 29 A HN 0.244 nan 8.150 nan 0.000 0.449 30 A N -0.666 122.168 122.820 0.024 0.000 2.125 30 A HA 0.036 4.356 4.320 -0.000 0.000 0.219 30 A C 1.970 179.587 177.584 0.055 0.000 1.156 30 A CA 1.439 53.502 52.037 0.044 0.000 0.671 30 A CB -0.458 18.572 19.000 0.050 0.000 0.794 30 A HN 0.603 nan 8.150 nan 0.000 0.459 31 L N -0.180 121.057 121.223 0.023 0.000 2.093 31 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 31 L C 2.321 179.220 176.870 0.048 0.000 1.085 31 L CA 1.678 56.532 54.840 0.023 0.000 0.755 31 L CB -0.453 41.561 42.059 -0.075 0.000 0.904 31 L HN 0.166 nan 8.230 nan 0.000 0.435 32 V N 0.594 120.526 119.914 0.029 0.000 2.255 32 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 32 V C -0.070 176.060 176.094 0.061 0.000 1.051 32 V CA 2.285 64.605 62.300 0.033 0.000 1.018 32 V CB -2.069 29.767 31.823 0.021 0.000 0.641 32 V HN 0.376 nan 8.190 nan 0.000 0.445 33 P HA -0.066 nan 4.420 nan 0.000 0.217 33 P C 1.639 178.995 177.300 0.093 0.000 1.151 33 P CA 1.853 64.995 63.100 0.070 0.000 0.828 33 P CB -0.127 31.611 31.700 0.064 0.000 0.788 34 A N 0.440 123.341 122.820 0.135 0.000 1.873 34 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 34 A C 2.400 180.151 177.584 0.279 0.000 1.186 34 A CA 2.271 54.422 52.037 0.191 0.000 0.616 34 A CB -1.673 17.499 19.000 0.287 0.000 0.823 34 A HN 0.326 nan 8.150 nan 0.000 0.442 35 S N -0.007 115.878 115.700 0.308 0.000 2.419 35 S HA -0.209 4.261 4.470 -0.000 0.000 0.233 35 S C 1.613 176.312 174.600 0.165 0.000 1.016 35 S CA 1.506 59.873 58.200 0.278 0.000 0.974 35 S CB -0.473 62.791 63.200 0.106 0.000 0.786 35 S HN 0.665 nan 8.310 nan 0.000 0.492 36 E N 0.937 121.205 120.200 0.112 0.000 2.072 36 E HA -0.003 4.347 4.350 -0.000 0.000 0.191 36 E C 1.907 178.545 176.600 0.064 0.000 0.985 36 E CA 1.532 57.977 56.400 0.074 0.000 0.801 36 E CB -0.236 29.498 29.700 0.056 0.000 0.750 36 E HN 0.638 nan 8.360 nan 0.000 0.452 37 I N 0.266 120.871 120.570 0.059 0.000 2.852 37 I HA 0.014 4.184 4.170 -0.000 0.000 0.264 37 I C 0.707 176.824 176.117 -0.001 0.000 1.179 37 I CA 0.283 61.594 61.300 0.017 0.000 1.480 37 I CB 0.360 38.354 38.000 -0.009 0.000 1.111 37 I HN -0.059 nan 8.210 nan 0.000 0.441 38 L N 1.308 122.551 121.223 0.033 0.000 2.333 38 L HA 0.589 4.929 4.340 -0.000 0.000 0.263 38 L C -0.634 176.335 176.870 0.166 0.000 1.014 38 L CA -0.934 53.902 54.840 -0.007 0.000 0.820 38 L CB 2.632 44.547 42.059 -0.239 0.000 1.352 38 L HN -0.025 nan 8.230 nan 0.000 0.421 39 I N -2.060 118.601 120.570 0.152 0.000 2.740 39 I HA 0.507 4.677 4.170 -0.000 0.000 0.303 39 I C -2.257 174.069 176.117 0.348 0.000 1.044 39 I CA -2.274 59.193 61.300 0.279 0.000 1.064 39 I CB 2.087 40.194 38.000 0.178 0.000 1.249 39 I HN 0.278 nan 8.210 nan 0.000 0.433 40 P HA -0.170 nan 4.420 nan 0.000 0.217 40 P C 0.889 178.410 177.300 0.369 0.000 1.151 40 P CA 1.543 64.943 63.100 0.501 0.000 0.849 40 P CB 0.116 32.070 31.700 0.423 0.000 0.787 41 E N -0.880 119.467 120.200 0.245 0.000 2.333 41 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 41 E C 1.442 178.130 176.600 0.147 0.000 1.007 41 E CA 0.861 57.359 56.400 0.164 0.000 0.845 41 E CB -0.737 29.030 29.700 0.112 0.000 0.766 41 E HN 0.339 nan 8.360 nan 0.000 0.507 42 D N -0.433 120.051 120.400 0.140 0.000 2.234 42 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 42 D C -0.092 176.201 176.300 -0.013 0.000 0.962 42 D CA 0.392 54.398 54.000 0.009 0.000 0.855 42 D CB -0.003 40.727 40.800 -0.118 0.000 0.951 42 D HN 0.157 nan 8.370 nan 0.000 0.500 43 F N 0.736 120.688 119.950 0.003 0.000 2.504 43 F HA -0.014 4.513 4.527 -0.000 0.000 0.369 43 F C 1.556 177.405 175.800 0.082 0.000 1.082 43 F CA -0.555 57.475 58.000 0.050 0.000 1.216 43 F CB 0.539 39.582 39.000 0.072 0.000 1.108 43 F HN -0.131 nan 8.300 nan 0.000 0.554 44 Y N 3.404 123.786 120.300 0.137 0.000 2.242 44 Y HA 0.017 4.567 4.550 -0.000 0.000 0.291 44 Y C 1.181 177.107 175.900 0.044 0.000 1.137 44 Y CA 1.145 59.282 58.100 0.062 0.000 1.181 44 Y CB 0.057 38.529 38.460 0.020 0.000 0.989 44 Y HN 0.328 nan 8.280 nan 0.000 0.527 45 R N 0.255 120.731 120.500 -0.040 0.000 2.265 45 R HA 0.312 4.652 4.340 -0.000 0.000 0.314 45 R C 1.310 177.527 176.300 -0.138 0.000 1.053 45 R CA 0.303 56.266 56.100 -0.228 0.000 0.931 45 R CB 1.158 31.224 30.300 -0.389 0.000 1.024 45 R HN 0.386 nan 8.270 nan 0.000 0.457 46 A N 3.682 126.401 122.820 -0.169 0.000 1.892 46 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 46 A C 2.174 179.731 177.584 -0.045 0.000 1.188 46 A CA 2.178 54.159 52.037 -0.093 0.000 0.631 46 A CB -0.654 18.282 19.000 -0.106 0.000 0.822 46 A HN 0.884 nan 8.150 nan 0.000 0.447 47 A N -0.665 122.114 122.820 -0.068 0.000 1.903 47 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 47 A C 1.968 179.651 177.584 0.166 0.000 1.191 47 A CA 2.010 54.062 52.037 0.025 0.000 0.638 47 A CB -1.227 17.762 19.000 -0.019 0.000 0.823 47 A HN 0.814 nan 8.150 nan 0.000 0.451 48 H N -1.879 117.195 119.070 0.007 0.000 2.389 48 H HA -0.108 4.448 4.556 -0.000 0.000 0.299 48 H C 2.417 177.529 175.328 -0.361 0.000 1.081 48 H CA 1.113 57.084 56.048 -0.128 0.000 1.345 48 H CB 0.051 29.822 29.762 0.014 0.000 1.393 48 H HN 0.669 nan 8.280 nan 0.000 0.520 49 Q N 1.336 121.120 119.800 -0.027 0.000 2.002 49 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 49 Q C 2.033 178.052 176.000 0.031 0.000 0.988 49 Q CA 1.689 57.495 55.803 0.006 0.000 0.843 49 Q CB 0.195 28.969 28.738 0.061 0.000 0.908 49 Q HN 0.172 nan 8.270 nan 0.000 0.420 50 K N 0.224 120.637 120.400 0.021 0.000 2.032 50 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 50 K C 1.854 178.494 176.600 0.066 0.000 1.048 50 K CA 1.537 57.840 56.287 0.028 0.000 0.927 50 K CB -0.261 32.248 32.500 0.014 0.000 0.712 50 K HN 0.258 nan 8.250 nan 0.000 0.441 51 I N -0.578 120.024 120.570 0.053 0.000 2.142 51 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 51 I C 2.027 178.141 176.117 -0.004 0.000 1.078 51 I CA 1.151 62.479 61.300 0.047 0.000 1.343 51 I CB -0.237 37.807 38.000 0.074 0.000 1.046 51 I HN 0.059 nan 8.210 nan 0.000 0.405 52 F N 0.852 120.648 119.950 -0.257 0.000 2.216 52 F HA -0.277 4.250 4.527 -0.000 0.000 0.300 52 F C 2.675 178.424 175.800 -0.083 0.000 1.085 52 F CA 1.785 59.629 58.000 -0.260 0.000 1.326 52 F CB -0.486 38.220 39.000 -0.490 0.000 1.027 52 F HN 0.161 nan 8.300 nan 0.000 0.497 53 H N -0.131 118.910 119.070 -0.049 0.000 2.326 53 H HA -0.108 4.448 4.556 -0.000 0.000 0.301 53 H C 2.231 177.487 175.328 -0.119 0.000 1.081 53 H CA 1.505 57.511 56.048 -0.070 0.000 1.334 53 H CB -0.314 29.447 29.762 -0.001 0.000 1.385 53 H HN 0.316 nan 8.280 nan 0.000 0.504 54 A N 1.025 123.879 122.820 0.056 0.000 1.908 54 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 54 A C 2.697 180.213 177.584 -0.114 0.000 1.181 54 A CA 1.812 53.853 52.037 0.006 0.000 0.627 54 A CB -0.835 18.191 19.000 0.043 0.000 0.818 54 A HN 0.477 nan 8.150 nan 0.000 0.445 55 M N -0.731 118.753 119.600 -0.194 0.000 2.065 55 M HA -0.142 4.338 4.480 -0.000 0.000 0.259 55 M C 2.036 178.141 176.300 -0.325 0.000 1.069 55 M CA 1.697 56.827 55.300 -0.283 0.000 1.110 55 M CB -0.355 31.994 32.600 -0.418 0.000 1.328 55 M HN 0.433 nan 8.290 nan 0.000 0.405 56 L N -1.280 119.678 121.223 -0.441 0.000 2.141 56 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 56 L C 2.529 179.232 176.870 -0.278 0.000 1.094 56 L CA 1.126 55.732 54.840 -0.391 0.000 0.763 56 L CB -0.561 41.229 42.059 -0.448 0.000 0.908 56 L HN 0.280 nan 8.230 nan 0.000 0.437 57 R N -0.521 119.814 120.500 -0.276 0.000 2.148 57 R HA -0.100 4.240 4.340 -0.000 0.000 0.227 57 R C 2.130 178.360 176.300 -0.117 0.000 1.103 57 R CA 0.898 56.882 56.100 -0.193 0.000 0.983 57 R CB 0.055 30.262 30.300 -0.154 0.000 0.874 57 R HN 0.175 nan 8.270 nan 0.000 0.451 58 V N 0.170 120.016 119.914 -0.112 0.000 2.346 58 V HA -0.106 4.014 4.120 -0.000 0.000 0.244 58 V C 2.318 178.364 176.094 -0.079 0.000 1.037 58 V CA 1.692 63.947 62.300 -0.076 0.000 1.029 58 V CB -0.402 31.384 31.823 -0.060 0.000 0.663 58 V HN 0.413 nan 8.190 nan 0.000 0.454 59 A N -0.538 122.218 122.820 -0.107 0.000 1.940 59 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 59 A C 1.991 179.529 177.584 -0.076 0.000 1.176 59 A CA 1.982 53.964 52.037 -0.093 0.000 0.631 59 A CB -0.580 18.349 19.000 -0.119 0.000 0.814 59 A HN 0.533 nan 8.150 nan 0.000 0.446 60 D N -1.110 119.238 120.400 -0.087 0.000 2.371 60 D HA -0.038 4.602 4.640 -0.000 0.000 0.221 60 D C 1.949 178.220 176.300 -0.049 0.000 0.986 60 D CA 0.539 54.497 54.000 -0.069 0.000 0.899 60 D CB -0.044 40.708 40.800 -0.081 0.000 0.902 60 D HN 0.457 nan 8.370 nan 0.000 0.530 61 R N -0.396 120.076 120.500 -0.045 0.000 2.210 61 R HA 0.112 4.452 4.340 -0.000 0.000 0.203 61 R C 1.168 177.453 176.300 -0.024 0.000 1.010 61 R CA 0.269 56.350 56.100 -0.032 0.000 1.008 61 R CB 0.570 30.853 30.300 -0.028 0.000 0.923 61 R HN -0.091 nan 8.270 nan 0.000 0.469 62 G N 1.036 109.822 108.800 -0.024 0.000 2.533 62 G HA2 0.332 4.292 3.960 -0.000 0.000 0.310 62 G HA3 0.332 4.292 3.960 -0.000 0.000 0.310 62 G C -0.978 173.908 174.900 -0.025 0.000 1.266 62 G CA -0.454 44.628 45.100 -0.030 0.000 0.967 62 G HN 0.076 nan 8.290 nan 0.000 0.493 63 E N 2.471 122.654 120.200 -0.028 0.000 2.249 63 E HA 0.444 4.794 4.350 -0.000 0.000 0.263 63 E C -2.246 174.341 176.600 -0.022 0.000 0.950 63 E CA -1.851 54.537 56.400 -0.020 0.000 0.827 63 E CB 2.198 31.888 29.700 -0.017 0.000 1.220 63 E HN 0.315 nan 8.360 nan 0.000 0.411 64 P HA 0.032 nan 4.420 nan 0.000 0.271 64 P C -0.636 176.660 177.300 -0.008 0.000 1.216 64 P CA -0.155 62.940 63.100 -0.009 0.000 0.776 64 P CB 0.634 32.335 31.700 0.001 0.000 0.881 65 V N 4.442 124.346 119.914 -0.017 0.000 2.385 65 V HA 0.285 4.405 4.120 -0.000 0.000 0.269 65 V C 0.424 176.539 176.094 0.036 0.000 1.043 65 V CA 0.346 62.635 62.300 -0.019 0.000 0.906 65 V CB 0.393 32.166 31.823 -0.083 0.000 0.995 65 V HN 0.812 nan 8.190 nan 0.000 0.467 66 D N 3.253 123.714 120.400 0.101 0.000 2.677 66 D HA 0.262 4.902 4.640 -0.000 0.000 0.298 66 D C 0.702 177.158 176.300 0.261 0.000 1.250 66 D CA -0.840 53.275 54.000 0.192 0.000 0.888 66 D CB 0.983 41.844 40.800 0.101 0.000 1.397 66 D HN 0.140 nan 8.370 nan 0.000 0.461 67 L N -0.082 121.246 121.223 0.175 0.000 2.043 67 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 67 L C 2.238 179.117 176.870 0.016 0.000 1.075 67 L CA 1.302 56.124 54.840 -0.029 0.000 0.752 67 L CB -0.364 41.562 42.059 -0.222 0.000 0.891 67 L HN 0.351 nan 8.230 nan 0.000 0.432 68 V N -0.408 119.519 119.914 0.021 0.000 2.270 68 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 68 V C 2.703 178.816 176.094 0.033 0.000 1.043 68 V CA 2.279 64.588 62.300 0.015 0.000 1.014 68 V CB -0.900 30.927 31.823 0.007 0.000 0.645 68 V HN 0.674 nan 8.190 nan 0.000 0.447 69 T N -1.584 112.997 114.554 0.044 0.000 2.788 69 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 69 T C 1.798 176.527 174.700 0.048 0.000 1.044 69 T CA 1.761 63.882 62.100 0.036 0.000 1.139 69 T CB -0.605 68.278 68.868 0.025 0.000 0.867 69 T HN 0.225 nan 8.240 nan 0.000 0.454 70 V N 1.753 121.722 119.914 0.091 0.000 2.379 70 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 70 V C 3.065 179.215 176.094 0.094 0.000 1.044 70 V CA 2.158 64.525 62.300 0.111 0.000 1.036 70 V CB -1.330 30.632 31.823 0.233 0.000 0.664 70 V HN 0.550 nan 8.190 nan 0.000 0.453 71 T N 0.768 115.369 114.554 0.079 0.000 2.652 71 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 71 T C 2.079 176.801 174.700 0.036 0.000 1.039 71 T CA 1.869 63.997 62.100 0.047 0.000 1.153 71 T CB -0.513 68.364 68.868 0.014 0.000 0.863 71 T HN 0.568 nan 8.240 nan 0.000 0.428 72 A N 1.148 123.985 122.820 0.029 0.000 1.978 72 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 72 A C 2.184 179.782 177.584 0.023 0.000 1.170 72 A CA 2.085 54.134 52.037 0.021 0.000 0.636 72 A CB -0.543 18.467 19.000 0.016 0.000 0.810 72 A HN 0.501 nan 8.150 nan 0.000 0.448 73 E N 0.086 120.303 120.200 0.029 0.000 2.072 73 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 73 E C 1.801 178.422 176.600 0.036 0.000 0.982 73 E CA 1.107 57.523 56.400 0.028 0.000 0.803 73 E CB -0.396 29.318 29.700 0.023 0.000 0.755 73 E HN 0.572 nan 8.360 nan 0.000 0.453 74 L N -0.026 121.223 121.223 0.044 0.000 2.056 74 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 74 L C 2.521 179.410 176.870 0.031 0.000 1.078 74 L CA 1.198 56.065 54.840 0.045 0.000 0.749 74 L CB -0.566 41.528 42.059 0.058 0.000 0.901 74 L HN 0.216 nan 8.230 nan 0.000 0.433 75 A N -0.008 122.828 122.820 0.027 0.000 1.902 75 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 75 A C 2.518 180.111 177.584 0.015 0.000 1.181 75 A CA 1.753 53.801 52.037 0.019 0.000 0.623 75 A CB -0.781 18.228 19.000 0.016 0.000 0.818 75 A HN 0.402 nan 8.150 nan 0.000 0.443 76 A N 0.166 122.996 122.820 0.016 0.000 1.933 76 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 76 A C 2.103 179.694 177.584 0.013 0.000 1.175 76 A CA 2.006 54.051 52.037 0.013 0.000 0.628 76 A CB -0.731 18.278 19.000 0.014 0.000 0.814 76 A HN 1.072 nan 8.150 nan 0.000 0.444 77 S N -0.777 114.932 115.700 0.016 0.000 2.573 77 S HA 0.323 4.793 4.470 -0.000 0.000 0.244 77 S C -0.021 174.582 174.600 0.006 0.000 0.984 77 S CA 0.289 58.496 58.200 0.012 0.000 1.001 77 S CB -0.510 62.703 63.200 0.020 0.000 0.788 77 S HN 0.536 nan 8.310 nan 0.000 0.456 78 E N 1.452 121.655 120.200 0.006 0.000 2.328 78 E HA -0.256 4.094 4.350 -0.000 0.000 0.233 78 E C 0.438 177.039 176.600 0.000 0.000 1.219 78 E CA 0.935 57.337 56.400 0.002 0.000 0.717 78 E CB -1.605 28.093 29.700 -0.002 0.000 1.210 78 E HN 1.008 nan 8.360 nan 0.000 0.381 79 Q N -1.010 118.794 119.800 0.007 0.000 2.057 79 Q HA 0.248 4.588 4.340 -0.000 0.000 0.216 79 Q C 1.250 177.262 176.000 0.019 0.000 0.788 79 Q CA -0.366 55.441 55.803 0.006 0.000 1.053 79 Q CB 0.144 28.881 28.738 -0.001 0.000 1.210 79 Q HN 0.384 nan 8.270 nan 0.000 0.455 80 L N 1.082 122.319 121.223 0.023 0.000 1.994 80 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 80 L C 2.404 179.292 176.870 0.030 0.000 1.071 80 L CA 2.250 57.110 54.840 0.034 0.000 0.745 80 L CB -0.012 42.063 42.059 0.027 0.000 0.892 80 L HN 0.462 nan 8.230 nan 0.000 0.431 81 E N -0.015 120.194 120.200 0.015 0.000 2.051 81 E HA -0.275 4.075 4.350 -0.000 0.000 0.192 81 E C 1.861 178.459 176.600 -0.003 0.000 0.991 81 E CA 1.643 58.047 56.400 0.006 0.000 0.799 81 E CB -0.010 29.690 29.700 -0.001 0.000 0.748 81 E HN 0.565 nan 8.360 nan 0.000 0.449 82 E N 0.236 120.431 120.200 -0.007 0.000 2.160 82 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 82 E C 2.022 178.605 176.600 -0.027 0.000 0.991 82 E CA 1.357 57.744 56.400 -0.022 0.000 0.810 82 E CB -0.425 29.262 29.700 -0.023 0.000 0.742 82 E HN 0.504 nan 8.360 nan 0.000 0.466 83 I N -3.043 117.531 120.570 0.007 0.000 3.684 83 I HA 0.378 4.548 4.170 -0.000 0.000 0.304 83 I C 1.288 177.418 176.117 0.021 0.000 1.278 83 I CA 0.612 61.932 61.300 0.034 0.000 1.272 83 I CB 0.573 38.641 38.000 0.114 0.000 1.029 83 I HN 0.069 nan 8.210 nan 0.000 0.458 84 G N -0.498 108.297 108.800 -0.009 0.000 2.184 84 G HA2 0.166 4.126 3.960 -0.000 0.000 0.206 84 G HA3 0.166 4.126 3.960 -0.000 0.000 0.206 84 G C 0.876 175.819 174.900 0.072 0.000 0.995 84 G CA -0.278 44.813 45.100 -0.015 0.000 0.651 84 G HN 1.555 nan 8.290 nan 0.000 0.511 85 G N -1.731 107.115 108.800 0.076 0.000 2.760 85 G HA2 0.095 4.055 3.960 -0.000 0.000 0.246 85 G HA3 0.095 4.055 3.960 -0.000 0.000 0.246 85 G C 1.225 176.166 174.900 0.068 0.000 1.359 85 G CA 1.425 46.560 45.100 0.059 0.000 0.861 85 G HN 1.725 nan 8.290 nan 0.000 0.541 86 V N -1.980 117.950 119.914 0.027 0.000 2.594 86 V HA -0.088 4.032 4.120 -0.000 0.000 0.253 86 V C 2.737 178.823 176.094 -0.013 0.000 1.069 86 V CA 2.805 65.099 62.300 -0.010 0.000 1.082 86 V CB -1.177 30.628 31.823 -0.029 0.000 0.680 86 V HN 1.070 nan 8.190 nan 0.000 0.469 87 S N -0.013 115.703 115.700 0.026 0.000 2.359 87 S HA -0.269 4.201 4.470 -0.000 0.000 0.223 87 S C 1.868 176.512 174.600 0.073 0.000 1.039 87 S CA 2.305 60.529 58.200 0.039 0.000 1.042 87 S CB -0.708 62.529 63.200 0.061 0.000 0.915 87 S HN 0.720 nan 8.310 nan 0.000 0.439 88 Y N 2.333 122.623 120.300 -0.017 0.000 2.181 88 Y HA -0.038 4.512 4.550 -0.000 0.000 0.288 88 Y C 1.993 177.880 175.900 -0.022 0.000 1.146 88 Y CA 0.946 59.048 58.100 0.004 0.000 1.164 88 Y CB -0.583 37.901 38.460 0.041 0.000 0.982 88 Y HN 0.144 nan 8.280 nan 0.000 0.515 89 L N -1.297 119.874 121.223 -0.087 0.000 2.042 89 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 89 L C 2.439 179.035 176.870 -0.456 0.000 1.076 89 L CA 1.663 56.325 54.840 -0.296 0.000 0.749 89 L CB -0.832 41.058 42.059 -0.282 0.000 0.893 89 L HN 0.106 nan 8.230 nan 0.000 0.432 90 S N -0.653 114.870 115.700 -0.294 0.000 2.383 90 S HA -0.151 4.319 4.470 -0.000 0.000 0.227 90 S C 1.830 176.315 174.600 -0.192 0.000 1.026 90 S CA 0.949 59.000 58.200 -0.248 0.000 0.981 90 S CB -0.092 63.018 63.200 -0.150 0.000 0.818 90 S HN 0.414 nan 8.310 nan 0.000 0.472 91 E N 0.925 121.024 120.200 -0.169 0.000 2.077 91 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 91 E C 1.967 178.460 176.600 -0.179 0.000 0.989 91 E CA 0.947 57.268 56.400 -0.131 0.000 0.800 91 E CB -0.236 29.423 29.700 -0.069 0.000 0.746 91 E HN 0.427 nan 8.360 nan 0.000 0.452 92 L N 0.240 121.285 121.223 -0.298 0.000 2.093 92 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 92 L C 2.531 179.362 176.870 -0.065 0.000 1.085 92 L CA 0.954 55.664 54.840 -0.215 0.000 0.755 92 L CB -0.374 41.540 42.059 -0.241 0.000 0.904 92 L HN 0.128 nan 8.230 nan 0.000 0.435 93 A N -0.467 122.285 122.820 -0.113 0.000 1.968 93 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 93 A C 1.755 179.317 177.584 -0.038 0.000 1.169 93 A CA 1.583 53.591 52.037 -0.048 0.000 0.638 93 A CB -0.295 18.569 19.000 -0.226 0.000 0.812 93 A HN 0.318 nan 8.150 nan 0.000 0.446 94 D N -0.349 120.011 120.400 -0.067 0.000 2.323 94 D HA 0.187 4.827 4.640 -0.000 0.000 0.209 94 D C 1.948 178.234 176.300 -0.023 0.000 0.973 94 D CA 1.022 54.997 54.000 -0.041 0.000 0.874 94 D CB -0.057 40.715 40.800 -0.047 0.000 0.930 94 D HN 0.410 nan 8.370 nan 0.000 0.521 95 A N 0.224 123.027 122.820 -0.029 0.000 1.975 95 A HA 0.029 4.349 4.320 -0.000 0.000 0.215 95 A C 1.260 178.841 177.584 -0.006 0.000 1.170 95 A CA 0.148 52.174 52.037 -0.018 0.000 0.656 95 A CB -0.037 18.945 19.000 -0.031 0.000 0.821 95 A HN 0.075 nan 8.150 nan 0.000 0.449 96 V N 2.635 122.547 119.914 -0.002 0.000 2.421 96 V HA 0.087 4.207 4.120 -0.000 0.000 0.271 96 V C -1.004 175.108 176.094 0.030 0.000 1.031 96 V CA -0.413 61.895 62.300 0.013 0.000 1.032 96 V CB 1.081 32.918 31.823 0.022 0.000 1.009 96 V HN 0.457 nan 8.190 nan 0.000 0.477 97 P HA 0.100 nan 4.420 nan 0.000 0.239 97 P C 0.443 177.774 177.300 0.052 0.000 1.188 97 P CA 0.542 63.667 63.100 0.042 0.000 0.794 97 P CB 0.620 32.346 31.700 0.045 0.000 0.937 98 T N -1.737 112.859 114.554 0.070 0.000 2.821 98 T HA 0.643 4.993 4.350 -0.000 0.000 0.306 98 T C -1.102 173.655 174.700 0.096 0.000 1.313 98 T CA -0.053 62.093 62.100 0.077 0.000 1.012 98 T CB 1.229 70.145 68.868 0.080 0.000 1.298 98 T HN -0.178 nan 8.240 nan 0.000 0.502 99 A N 0.832 123.704 122.820 0.087 0.000 2.609 99 A HA 0.697 5.017 4.320 -0.000 0.000 0.286 99 A C 1.618 179.259 177.584 0.094 0.000 1.138 99 A CA 0.749 52.844 52.037 0.096 0.000 0.960 99 A CB -0.294 18.750 19.000 0.072 0.000 1.208 99 A HN 1.005 nan 8.150 nan 0.000 0.541 100 A N 1.303 124.174 122.820 0.085 0.000 2.067 100 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 100 A C 1.256 178.882 177.584 0.070 0.000 1.156 100 A CA 1.217 53.291 52.037 0.063 0.000 0.683 100 A CB -0.651 18.374 19.000 0.041 0.000 0.808 100 A HN 0.776 nan 8.150 nan 0.000 0.455 101 N N -0.364 118.401 118.700 0.108 0.000 2.328 101 N HA 0.189 4.929 4.740 -0.000 0.000 0.247 101 N C 0.589 176.222 175.510 0.204 0.000 1.165 101 N CA 0.184 53.300 53.050 0.111 0.000 0.873 101 N CB 0.635 39.143 38.487 0.034 0.000 1.125 101 N HN 0.041 nan 8.380 nan 0.000 0.513 102 V N 1.796 121.824 119.914 0.191 0.000 2.282 102 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 102 V C 2.646 178.829 176.094 0.150 0.000 1.057 102 V CA 2.395 64.815 62.300 0.199 0.000 1.032 102 V CB -0.765 31.138 31.823 0.134 0.000 0.645 102 V HN 0.619 nan 8.190 nan 0.000 0.447 103 E N -0.112 120.150 120.200 0.103 0.000 2.208 103 E HA -0.263 4.086 4.350 -0.000 0.000 0.193 103 E C 2.172 178.798 176.600 0.043 0.000 0.988 103 E CA 1.485 57.922 56.400 0.061 0.000 0.828 103 E CB -0.646 29.084 29.700 0.051 0.000 0.763 103 E HN 0.747 nan 8.360 nan 0.000 0.478 104 Y N 0.948 121.205 120.300 -0.071 0.000 2.114 104 Y HA -0.297 4.253 4.550 -0.000 0.000 0.284 104 Y C 1.758 177.569 175.900 -0.149 0.000 1.143 104 Y CA 1.821 59.825 58.100 -0.160 0.000 1.135 104 Y CB -0.401 37.886 38.460 -0.288 0.000 0.980 104 Y HN -0.046 nan 8.280 nan 0.000 0.499 105 Y N 0.050 120.168 120.300 -0.302 0.000 2.293 105 Y HA -0.187 4.363 4.550 -0.000 0.000 0.291 105 Y C 2.669 178.396 175.900 -0.287 0.000 1.137 105 Y CA 0.683 58.556 58.100 -0.379 0.000 1.202 105 Y CB -0.489 37.891 38.460 -0.133 0.000 0.990 105 Y HN 0.327 nan 8.280 nan 0.000 0.537 106 A N 0.534 123.328 122.820 -0.043 0.000 1.902 106 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 106 A C 2.171 179.657 177.584 -0.163 0.000 1.181 106 A CA 1.560 53.527 52.037 -0.116 0.000 0.623 106 A CB -0.514 18.453 19.000 -0.054 0.000 0.818 106 A HN 0.378 nan 8.150 nan 0.000 0.443 107 R N -0.672 119.742 120.500 -0.144 0.000 2.115 107 R HA -0.000 4.340 4.340 -0.000 0.000 0.230 107 R C 1.943 178.142 176.300 -0.168 0.000 1.111 107 R CA 1.311 57.331 56.100 -0.135 0.000 0.976 107 R CB -0.432 29.814 30.300 -0.091 0.000 0.870 107 R HN 0.582 nan 8.270 nan 0.000 0.445 108 I N 0.152 120.579 120.570 -0.238 0.000 2.179 108 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 108 I C 2.207 178.219 176.117 -0.176 0.000 1.088 108 I CA 1.168 62.341 61.300 -0.213 0.000 1.357 108 I CB -0.238 37.602 38.000 -0.267 0.000 1.051 108 I HN -0.031 nan 8.210 nan 0.000 0.409 109 V N 0.725 120.510 119.914 -0.215 0.000 2.332 109 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 109 V C 2.479 178.433 176.094 -0.233 0.000 1.055 109 V CA 2.193 64.330 62.300 -0.272 0.000 1.038 109 V CB -0.700 30.831 31.823 -0.487 0.000 0.651 109 V HN 0.498 nan 8.190 nan 0.000 0.450 110 E N -0.067 120.008 120.200 -0.208 0.000 2.077 110 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 110 E C 2.252 178.789 176.600 -0.105 0.000 0.989 110 E CA 1.514 57.826 56.400 -0.147 0.000 0.800 110 E CB -0.060 29.568 29.700 -0.119 0.000 0.746 110 E HN 0.676 nan 8.360 nan 0.000 0.452 111 E N 0.281 120.420 120.200 -0.102 0.000 2.038 111 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 111 E C 2.157 178.714 176.600 -0.072 0.000 1.000 111 E CA 1.004 57.357 56.400 -0.078 0.000 0.803 111 E CB -0.015 29.639 29.700 -0.076 0.000 0.750 111 E HN 0.126 nan 8.360 nan 0.000 0.448 112 K N 0.633 120.982 120.400 -0.084 0.000 2.113 112 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 112 K C 2.261 178.827 176.600 -0.057 0.000 1.047 112 K CA 0.845 57.086 56.287 -0.077 0.000 0.928 112 K CB -0.675 31.770 32.500 -0.092 0.000 0.716 112 K HN 0.005 nan 8.250 nan 0.000 0.446 113 S N 0.693 116.359 115.700 -0.057 0.000 2.356 113 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 113 S C 2.114 176.702 174.600 -0.020 0.000 1.032 113 S CA 1.216 59.398 58.200 -0.029 0.000 1.005 113 S CB -0.146 63.025 63.200 -0.049 0.000 0.867 113 S HN 0.059 nan 8.310 nan 0.000 0.449 114 V N 2.043 121.936 119.914 -0.034 0.000 2.295 114 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 114 V C 2.427 178.508 176.094 -0.022 0.000 1.049 114 V CA 1.962 64.245 62.300 -0.027 0.000 1.024 114 V CB -0.698 31.104 31.823 -0.035 0.000 0.648 114 V HN 0.474 nan 8.190 nan 0.000 0.447 115 L N -0.699 120.507 121.223 -0.029 0.000 2.079 115 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 115 L C 2.783 179.642 176.870 -0.018 0.000 1.081 115 L CA 1.677 56.501 54.840 -0.027 0.000 0.752 115 L CB -0.590 41.446 42.059 -0.038 0.000 0.896 115 L HN 0.252 nan 8.230 nan 0.000 0.433 116 R N -0.514 119.978 120.500 -0.013 0.000 2.073 116 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 116 R C 2.435 178.744 176.300 0.014 0.000 1.134 116 R CA 1.359 57.463 56.100 0.008 0.000 0.952 116 R CB -0.372 29.952 30.300 0.039 0.000 0.850 116 R HN 0.296 nan 8.270 nan 0.000 0.433 117 R N 0.881 121.388 120.500 0.011 0.000 2.081 117 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 117 R C 2.308 178.611 176.300 0.005 0.000 1.131 117 R CA 1.222 57.328 56.100 0.010 0.000 0.960 117 R CB -0.290 30.013 30.300 0.006 0.000 0.856 117 R HN 0.106 nan 8.270 nan 0.000 0.436 118 L N 1.134 122.356 121.223 -0.002 0.000 1.989 118 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 118 L C 2.035 178.905 176.870 -0.000 0.000 1.071 118 L CA 1.757 56.594 54.840 -0.004 0.000 0.749 118 L CB -0.392 41.661 42.059 -0.011 0.000 0.890 118 L HN 0.210 nan 8.230 nan 0.000 0.431 119 I N -0.760 119.810 120.570 0.001 0.000 2.163 119 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 119 I C 2.771 178.895 176.117 0.011 0.000 1.085 119 I CA 1.570 62.872 61.300 0.004 0.000 1.347 119 I CB -0.427 37.574 38.000 0.001 0.000 1.044 119 I HN 0.317 nan 8.210 nan 0.000 0.408 120 R N 0.464 120.973 120.500 0.015 0.000 2.081 120 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 120 R C 2.249 178.559 176.300 0.016 0.000 1.131 120 R CA 2.112 58.224 56.100 0.019 0.000 0.960 120 R CB -0.274 30.040 30.300 0.023 0.000 0.856 120 R HN 0.315 nan 8.270 nan 0.000 0.436 121 T N 0.576 115.137 114.554 0.012 0.000 2.701 121 T HA -0.085 4.265 4.350 -0.000 0.000 0.263 121 T C 1.868 176.575 174.700 0.011 0.000 1.040 121 T CA 1.369 63.475 62.100 0.010 0.000 1.147 121 T CB -0.326 68.545 68.868 0.005 0.000 0.865 121 T HN 0.429 nan 8.240 nan 0.000 0.426 122 A N 1.408 124.234 122.820 0.010 0.000 1.902 122 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 122 A C 2.566 180.163 177.584 0.021 0.000 1.181 122 A CA 2.068 54.112 52.037 0.012 0.000 0.623 122 A CB -1.317 17.687 19.000 0.008 0.000 0.818 122 A HN 0.471 nan 8.150 nan 0.000 0.443 123 T N -0.535 114.034 114.554 0.024 0.000 2.708 123 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 123 T C 2.282 177.007 174.700 0.041 0.000 1.037 123 T CA 1.745 63.864 62.100 0.033 0.000 1.146 123 T CB -0.372 68.511 68.868 0.026 0.000 0.865 123 T HN 0.549 nan 8.240 nan 0.000 0.435 124 S N 0.655 116.374 115.700 0.031 0.000 2.359 124 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 124 S C 2.049 176.671 174.600 0.037 0.000 1.035 124 S CA 1.084 59.303 58.200 0.032 0.000 1.018 124 S CB -0.530 62.684 63.200 0.023 0.000 0.876 124 S HN 0.470 nan 8.310 nan 0.000 0.448 125 I N 1.556 122.143 120.570 0.027 0.000 2.226 125 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 125 I C 2.809 178.944 176.117 0.029 0.000 1.100 125 I CA 1.114 62.425 61.300 0.020 0.000 1.374 125 I CB -0.554 37.451 38.000 0.008 0.000 1.057 125 I HN 0.387 nan 8.210 nan 0.000 0.413 126 A N 0.001 122.849 122.820 0.048 0.000 1.908 126 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 126 A C 2.313 180.006 177.584 0.182 0.000 1.181 126 A CA 1.949 54.036 52.037 0.083 0.000 0.627 126 A CB -0.701 18.360 19.000 0.102 0.000 0.818 126 A HN 0.503 nan 8.150 nan 0.000 0.445 127 Q N -0.742 119.158 119.800 0.167 0.000 2.119 127 Q HA -0.185 4.155 4.340 -0.000 0.000 0.201 127 Q C 1.082 177.198 176.000 0.194 0.000 0.972 127 Q CA 1.502 57.430 55.803 0.208 0.000 0.847 127 Q CB -0.074 28.722 28.738 0.096 0.000 0.903 127 Q HN 0.582 nan 8.270 nan 0.000 0.433 128 D N -0.618 119.843 120.400 0.102 0.000 2.219 128 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 128 D C 1.609 177.932 176.300 0.039 0.000 0.970 128 D CA 1.137 55.175 54.000 0.063 0.000 0.851 128 D CB -0.374 40.444 40.800 0.031 0.000 0.943 128 D HN 0.463 nan 8.370 nan 0.000 0.488 129 G N -0.630 108.169 108.800 -0.003 0.000 2.448 129 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 129 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 129 G C 1.176 175.959 174.900 -0.196 0.000 1.127 129 G CA 0.522 45.538 45.100 -0.140 0.000 0.766 129 G HN 0.314 nan 8.290 nan 0.000 0.552 130 Y N 0.489 120.788 120.300 -0.001 0.000 2.343 130 Y HA 0.084 4.634 4.550 -0.000 0.000 0.294 130 Y C 3.115 179.015 175.900 -0.000 0.000 1.122 130 Y CA 1.367 59.467 58.100 -0.001 0.000 1.173 130 Y CB -0.180 38.280 38.460 -0.000 0.000 1.077 130 Y HN 0.086 nan 8.280 nan 0.000 0.542 131 T N -0.115 114.539 114.554 0.167 0.000 2.978 131 T HA 0.070 4.420 4.350 -0.000 0.000 0.262 131 T C 0.703 175.435 174.700 0.053 0.000 1.063 131 T CA 0.589 62.746 62.100 0.094 0.000 1.140 131 T CB -0.079 68.834 68.868 0.076 0.000 0.886 131 T HN 0.047 nan 8.240 nan 0.000 0.470 132 R N 1.196 121.719 120.500 0.038 0.000 2.388 132 R HA 0.407 4.747 4.340 -0.000 0.000 0.314 132 R C 0.088 176.392 176.300 0.006 0.000 0.959 132 R CA -0.147 55.964 56.100 0.019 0.000 0.851 132 R CB 1.431 31.739 30.300 0.014 0.000 1.168 132 R HN 0.265 nan 8.270 nan 0.000 0.472 133 E N 0.756 120.959 120.200 0.005 0.000 2.453 133 E HA -0.015 4.335 4.350 -0.000 0.000 0.211 133 E C -0.172 176.424 176.600 -0.007 0.000 0.897 133 E CA 0.191 56.589 56.400 -0.004 0.000 1.063 133 E CB 0.530 30.231 29.700 0.002 0.000 1.080 133 E HN 0.647 nan 8.360 nan 0.000 0.512 134 D N 0.137 120.535 120.400 -0.004 0.000 2.125 134 D HA -0.160 4.480 4.640 -0.000 0.000 0.242 134 D C -0.197 176.102 176.300 -0.001 0.000 0.985 134 D CA 1.538 55.538 54.000 0.001 0.000 1.543 134 D CB -0.826 39.977 40.800 0.005 0.000 1.404 134 D HN 0.143 nan 8.370 nan 0.000 0.697 135 E N 0.427 120.625 120.200 -0.004 0.000 3.843 135 E HA 0.233 4.583 4.350 -0.000 0.000 0.189 135 E C 1.364 177.959 176.600 -0.009 0.000 1.013 135 E CA -0.067 56.330 56.400 -0.005 0.000 1.395 135 E CB 0.814 30.513 29.700 -0.002 0.000 1.136 135 E HN 0.277 nan 8.360 nan 0.000 0.444 136 I N 0.487 121.050 120.570 -0.012 0.000 2.113 136 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 136 I C 1.580 177.687 176.117 -0.016 0.000 1.064 136 I CA 1.554 62.843 61.300 -0.017 0.000 1.320 136 I CB -0.793 37.196 38.000 -0.018 0.000 1.028 136 I HN 0.233 nan 8.210 nan 0.000 0.406 137 D N 1.120 121.512 120.400 -0.014 0.000 2.117 137 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 137 D C 2.479 178.770 176.300 -0.014 0.000 0.987 137 D CA 1.005 54.997 54.000 -0.014 0.000 0.829 137 D CB -0.163 40.630 40.800 -0.012 0.000 0.961 137 D HN 0.211 nan 8.370 nan 0.000 0.460 138 V N 1.221 121.128 119.914 -0.012 0.000 2.427 138 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 138 V C 2.640 178.728 176.094 -0.010 0.000 1.051 138 V CA 0.924 63.218 62.300 -0.010 0.000 1.048 138 V CB -0.324 31.495 31.823 -0.007 0.000 0.666 138 V HN 0.185 nan 8.190 nan 0.000 0.456 139 L N -0.916 120.300 121.223 -0.011 0.000 2.046 139 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 139 L C 2.351 179.212 176.870 -0.015 0.000 1.077 139 L CA 1.565 56.397 54.840 -0.012 0.000 0.747 139 L CB -0.282 41.767 42.059 -0.016 0.000 0.896 139 L HN 0.308 nan 8.230 nan 0.000 0.432 140 L N -0.848 120.364 121.223 -0.018 0.000 2.056 140 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 140 L C 2.157 179.016 176.870 -0.018 0.000 1.078 140 L CA 1.021 55.849 54.840 -0.019 0.000 0.749 140 L CB -0.583 41.464 42.059 -0.021 0.000 0.901 140 L HN 0.252 nan 8.230 nan 0.000 0.433 141 D N 0.165 120.554 120.400 -0.018 0.000 2.097 141 D HA -0.217 4.423 4.640 -0.000 0.000 0.195 141 D C 2.048 178.340 176.300 -0.015 0.000 0.989 141 D CA 1.596 55.585 54.000 -0.018 0.000 0.827 141 D CB -0.052 40.737 40.800 -0.019 0.000 0.966 141 D HN 0.527 nan 8.370 nan 0.000 0.456 142 E N 0.400 120.593 120.200 -0.011 0.000 2.274 142 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 142 E C 1.864 178.459 176.600 -0.007 0.000 0.996 142 E CA 0.966 57.361 56.400 -0.008 0.000 0.840 142 E CB -0.043 29.654 29.700 -0.005 0.000 0.772 142 E HN 0.157 nan 8.360 nan 0.000 0.491 143 A N 1.640 124.455 122.820 -0.009 0.000 1.929 143 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 143 A C 1.685 179.262 177.584 -0.011 0.000 1.176 143 A CA 1.510 53.541 52.037 -0.009 0.000 0.628 143 A CB -0.356 18.637 19.000 -0.012 0.000 0.816 143 A HN 0.182 nan 8.150 nan 0.000 0.444 144 D N -0.382 120.009 120.400 -0.013 0.000 2.087 144 D HA -0.194 4.446 4.640 -0.000 0.000 0.192 144 D C 2.104 178.396 176.300 -0.013 0.000 0.993 144 D CA 1.606 55.597 54.000 -0.015 0.000 0.828 144 D CB -0.414 40.375 40.800 -0.018 0.000 0.968 144 D HN 0.513 nan 8.370 nan 0.000 0.448 145 R N 1.183 121.675 120.500 -0.012 0.000 2.080 145 R HA -0.170 4.170 4.340 -0.000 0.000 0.236 145 R C 1.994 178.290 176.300 -0.008 0.000 1.137 145 R CA 1.583 57.677 56.100 -0.010 0.000 0.943 145 R CB -0.081 30.214 30.300 -0.009 0.000 0.846 145 R HN 0.092 nan 8.270 nan 0.000 0.431 146 K N 0.055 120.451 120.400 -0.006 0.000 2.063 146 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 146 K C 2.163 178.760 176.600 -0.005 0.000 1.048 146 K CA 1.501 57.786 56.287 -0.003 0.000 0.928 146 K CB -0.114 32.386 32.500 -0.001 0.000 0.713 146 K HN 0.253 nan 8.250 nan 0.000 0.442 147 I N 0.943 121.509 120.570 -0.007 0.000 2.202 147 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 147 I C 2.275 178.385 176.117 -0.012 0.000 1.091 147 I CA 1.233 62.527 61.300 -0.009 0.000 1.368 147 I CB -0.740 37.254 38.000 -0.010 0.000 1.058 147 I HN 0.231 nan 8.210 nan 0.000 0.410 148 M N 0.379 119.972 119.600 -0.012 0.000 2.106 148 M HA -0.213 4.267 4.480 -0.000 0.000 0.259 148 M C 1.893 178.184 176.300 -0.014 0.000 1.068 148 M CA 1.507 56.798 55.300 -0.014 0.000 1.100 148 M CB -1.385 31.207 32.600 -0.014 0.000 1.351 148 M HN 0.280 nan 8.290 nan 0.000 0.404 149 E N -0.318 119.876 120.200 -0.010 0.000 2.516 149 E HA -0.043 4.307 4.350 -0.000 0.000 0.199 149 E C 1.917 178.513 176.600 -0.008 0.000 1.069 149 E CA 0.083 56.479 56.400 -0.007 0.000 0.876 149 E CB 0.069 29.767 29.700 -0.003 0.000 0.843 149 E HN 0.286 nan 8.360 nan 0.000 0.530 150 V N 0.116 120.024 119.914 -0.010 0.000 2.535 150 V HA -0.075 4.045 4.120 -0.000 0.000 0.246 150 V C 1.167 177.251 176.094 -0.018 0.000 1.045 150 V CA 0.781 63.075 62.300 -0.011 0.000 1.058 150 V CB 0.480 32.296 31.823 -0.011 0.000 0.689 150 V HN 0.042 nan 8.190 nan 0.000 0.461 151 S N 0.703 116.389 115.700 -0.023 0.000 2.422 151 S HA 0.429 4.899 4.470 -0.000 0.000 0.308 151 S C -0.492 174.082 174.600 -0.042 0.000 1.097 151 S CA -0.490 57.690 58.200 -0.033 0.000 1.099 151 S CB 0.379 63.557 63.200 -0.035 0.000 0.976 151 S HN 0.499 nan 8.310 nan 0.000 0.471 152 Q N 2.839 122.609 119.800 -0.050 0.000 2.372 152 Q HA 0.514 4.854 4.340 -0.000 0.000 0.273 152 Q C -1.029 174.919 176.000 -0.087 0.000 1.078 152 Q CA -0.879 54.880 55.803 -0.073 0.000 0.806 152 Q CB 2.012 30.719 28.738 -0.051 0.000 1.332 152 Q HN 0.838 nan 8.270 nan 0.000 0.435 153 R N 2.225 122.645 120.500 -0.133 0.000 1.623 153 R HA -0.174 4.166 4.340 -0.000 0.000 0.404 153 R C -0.641 175.440 176.300 -0.365 0.000 1.164 153 R CA 0.863 56.815 56.100 -0.246 0.000 0.699 153 R CB -0.609 29.560 30.300 -0.218 0.000 2.493 153 R HN 1.042 nan 8.270 nan 0.000 0.494 154 K N 0.840 120.986 120.400 -0.424 0.000 7.841 154 K HA -0.137 4.183 4.320 -0.000 0.000 0.229 154 K C -1.150 175.322 176.600 -0.214 0.000 1.528 154 K CA 0.392 56.514 56.287 -0.275 0.000 1.076 154 K CB -0.838 31.524 32.500 -0.230 0.000 0.391 154 K HN 0.739 nan 8.250 nan 0.000 0.439 155 H N 1.651 120.696 119.070 -0.041 0.000 2.702 155 H HA -0.166 4.390 4.556 -0.000 0.000 0.328 155 H C 0.955 176.243 175.328 -0.066 0.000 1.111 155 H CA 1.090 57.104 56.048 -0.055 0.000 1.109 155 H CB -2.129 27.594 29.762 -0.065 0.000 1.606 155 H HN 0.666 nan 8.280 nan 0.000 0.399 156 S N 1.065 116.768 115.700 0.003 0.000 2.225 156 S HA -0.297 4.173 4.470 -0.000 0.000 0.410 156 S C 1.598 176.185 174.600 -0.023 0.000 1.068 156 S CA 2.116 60.307 58.200 -0.015 0.000 2.275 156 S CB -0.651 62.541 63.200 -0.015 0.000 1.740 156 S HN 1.837 nan 8.310 nan 0.000 0.508 157 G N -0.123 108.651 108.800 -0.042 0.000 3.643 157 G HA2 0.529 4.489 3.960 -0.000 0.000 0.232 157 G HA3 0.529 4.489 3.960 -0.000 0.000 0.232 157 G C -0.566 174.284 174.900 -0.083 0.000 3.381 157 G CA -0.058 44.994 45.100 -0.079 0.000 0.783 157 G HN 1.361 nan 8.290 nan 0.000 0.357 158 A N 0.692 123.446 122.820 -0.110 0.000 2.323 158 A HA 0.795 5.115 4.320 -0.000 0.000 0.305 158 A C -0.574 176.965 177.584 -0.075 0.000 1.275 158 A CA -0.625 51.382 52.037 -0.050 0.000 0.804 158 A CB 0.582 19.577 19.000 -0.008 0.000 1.152 158 A HN 0.390 nan 8.150 nan 0.000 0.487 159 F N 1.527 121.482 119.950 0.008 0.000 2.471 159 F HA 0.265 4.792 4.527 -0.000 0.000 0.353 159 F C 0.999 176.802 175.800 0.004 0.000 1.113 159 F CA 0.659 58.662 58.000 0.004 0.000 1.262 159 F CB 1.171 40.173 39.000 0.003 0.000 1.146 159 F HN 0.422 nan 8.300 nan 0.000 0.578 160 K N 2.955 123.488 120.400 0.222 0.000 2.248 160 K HA 0.223 4.543 4.320 -0.000 0.000 0.281 160 K C -0.598 176.065 176.600 0.105 0.000 1.054 160 K CA -0.757 55.604 56.287 0.124 0.000 0.903 160 K CB 0.460 33.011 32.500 0.084 0.000 1.077 160 K HN 0.475 nan 8.250 nan 0.000 0.474 161 N N 2.205 120.947 118.700 0.071 0.000 2.479 161 N HA 0.001 4.741 4.740 -0.000 0.000 0.257 161 N C 0.998 176.526 175.510 0.029 0.000 1.232 161 N CA -0.036 53.036 53.050 0.037 0.000 0.920 161 N CB 0.553 39.055 38.487 0.025 0.000 1.105 161 N HN 0.561 nan 8.380 nan 0.000 0.444 162 I N 1.675 122.253 120.570 0.014 0.000 2.286 162 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 162 I C 1.601 177.726 176.117 0.014 0.000 1.115 162 I CA 1.508 62.816 61.300 0.014 0.000 1.392 162 I CB 0.107 38.110 38.000 0.004 0.000 1.065 162 I HN 0.494 nan 8.210 nan 0.000 0.418 163 K N 0.617 121.021 120.400 0.008 0.000 2.059 163 K HA -0.276 4.044 4.320 -0.000 0.000 0.212 163 K C 1.556 178.164 176.600 0.013 0.000 1.050 163 K CA 2.484 58.774 56.287 0.005 0.000 0.927 163 K CB -0.362 32.139 32.500 0.001 0.000 0.714 163 K HN 0.446 nan 8.250 nan 0.000 0.447 164 D N 0.265 120.677 120.400 0.020 0.000 2.144 164 D HA -0.085 4.555 4.640 -0.000 0.000 0.200 164 D C 1.724 178.043 176.300 0.031 0.000 0.978 164 D CA 0.962 54.977 54.000 0.025 0.000 0.833 164 D CB 0.009 40.826 40.800 0.029 0.000 0.961 164 D HN 0.186 nan 8.370 nan 0.000 0.470 165 I N 0.142 120.732 120.570 0.033 0.000 2.353 165 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 165 I C 2.031 178.173 176.117 0.043 0.000 1.119 165 I CA 0.515 61.836 61.300 0.036 0.000 1.417 165 I CB -0.162 37.858 38.000 0.035 0.000 1.078 165 I HN 0.018 nan 8.210 nan 0.000 0.421 166 L N 0.276 121.522 121.223 0.039 0.000 2.012 166 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 166 L C 2.663 179.580 176.870 0.077 0.000 1.073 166 L CA 1.226 56.095 54.840 0.049 0.000 0.748 166 L CB -0.652 41.422 42.059 0.025 0.000 0.891 166 L HN 0.088 nan 8.230 nan 0.000 0.431 167 V N -0.514 119.436 119.914 0.059 0.000 2.287 167 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 167 V C 2.371 178.533 176.094 0.113 0.000 1.053 167 V CA 1.895 64.245 62.300 0.082 0.000 1.027 167 V CB -0.689 31.163 31.823 0.049 0.000 0.646 167 V HN 0.520 nan 8.190 nan 0.000 0.447 168 Q N -0.432 119.413 119.800 0.076 0.000 2.291 168 Q HA -0.132 4.207 4.340 -0.000 0.000 0.205 168 Q C 2.205 178.243 176.000 0.065 0.000 0.970 168 Q CA 1.777 57.618 55.803 0.063 0.000 0.876 168 Q CB -0.236 28.529 28.738 0.044 0.000 0.935 168 Q HN 0.679 nan 8.270 nan 0.000 0.455 169 T N -0.549 114.053 114.554 0.081 0.000 3.009 169 T HA -0.091 4.259 4.350 -0.000 0.000 0.258 169 T C 1.242 175.999 174.700 0.095 0.000 1.063 169 T CA 0.535 62.679 62.100 0.073 0.000 1.139 169 T CB -0.219 68.690 68.868 0.069 0.000 0.890 169 T HN 0.324 nan 8.240 nan 0.000 0.471 170 Y N 2.674 122.981 120.300 0.011 0.000 2.130 170 Y HA -0.098 4.452 4.550 -0.000 0.000 0.287 170 Y C 1.682 177.589 175.900 0.012 0.000 1.124 170 Y CA 1.420 59.527 58.100 0.011 0.000 1.118 170 Y CB -0.399 38.066 38.460 0.010 0.000 0.994 170 Y HN 0.069 nan 8.280 nan 0.000 0.497 171 D N -0.033 120.428 120.400 0.102 0.000 2.389 171 D HA -0.149 4.491 4.640 -0.000 0.000 0.221 171 D C 0.929 177.205 176.300 -0.041 0.000 0.974 171 D CA 0.905 54.912 54.000 0.013 0.000 0.923 171 D CB -0.481 40.370 40.800 0.085 0.000 0.892 171 D HN 0.246 nan 8.370 nan 0.000 0.518 172 N N -0.380 118.298 118.700 -0.037 0.000 2.322 172 N HA 0.172 4.912 4.740 -0.000 0.000 0.216 172 N C 0.595 176.072 175.510 -0.055 0.000 1.144 172 N CA 0.108 53.141 53.050 -0.028 0.000 0.830 172 N CB 0.210 38.697 38.487 -0.000 0.000 1.034 172 N HN 0.228 nan 8.380 nan 0.000 0.484 173 I N -1.670 118.832 120.570 -0.112 0.000 3.663 173 I HA 0.107 4.277 4.170 -0.000 0.000 0.263 173 I C 0.208 176.248 176.117 -0.127 0.000 1.104 173 I CA -0.336 60.896 61.300 -0.114 0.000 1.426 173 I CB -0.095 37.823 38.000 -0.137 0.000 1.771 173 I HN -0.084 nan 8.210 nan 0.000 0.402 184 T N 1.767 116.344 114.554 0.038 0.000 3.067 184 T HA 0.231 4.581 4.350 -0.000 0.000 0.261 184 T C 1.016 175.742 174.700 0.043 0.000 1.110 184 T CA 1.410 63.532 62.100 0.036 0.000 1.113 184 T CB 0.179 69.067 68.868 0.034 0.000 0.917 184 T HN 0.714 nan 8.240 nan 0.000 0.499 185 G N 0.517 109.352 108.800 0.059 0.000 2.940 185 G HA2 0.583 4.543 3.960 -0.000 0.000 0.164 185 G HA3 0.583 4.543 3.960 -0.000 0.000 0.164 185 G C -0.718 174.222 174.900 0.066 0.000 1.326 185 G CA -0.839 44.306 45.100 0.075 0.000 1.020 185 G HN 0.413 nan 8.290 nan 0.000 0.586 186 I N 2.155 122.778 120.570 0.090 0.000 2.315 186 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 186 I C -2.197 173.909 176.117 -0.018 0.000 1.006 186 I CA -1.682 59.642 61.300 0.041 0.000 1.265 186 I CB 1.952 39.984 38.000 0.052 0.000 1.387 186 I HN 0.111 nan 8.210 nan 0.000 0.475 187 P HA -0.008 nan 4.420 nan 0.000 0.267 187 P C 0.660 177.835 177.300 -0.207 0.000 1.209 187 P CA 0.104 63.144 63.100 -0.100 0.000 0.763 187 P CB 0.800 32.452 31.700 -0.080 0.000 0.816 188 T N 2.230 116.622 114.554 -0.268 0.000 3.043 188 T HA 0.137 4.487 4.350 -0.000 0.000 0.263 188 T C 1.387 175.848 174.700 -0.398 0.000 1.094 188 T CA 1.315 63.185 62.100 -0.383 0.000 1.127 188 T CB -0.843 67.798 68.868 -0.379 0.000 0.905 188 T HN 0.663 nan 8.240 nan 0.000 0.490 189 G N 0.351 108.930 108.800 -0.370 0.000 2.176 189 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.232 189 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.232 189 G C -0.077 174.406 174.900 -0.695 0.000 0.986 189 G CA -0.074 44.702 45.100 -0.541 0.000 0.643 189 G HN 0.506 nan 8.290 nan 0.000 0.522 190 F N 1.790 121.700 119.950 -0.066 0.000 2.430 190 F HA 0.449 4.976 4.527 -0.000 0.000 0.362 190 F C 1.669 177.468 175.800 -0.002 0.000 1.103 190 F CA -0.167 57.824 58.000 -0.014 0.000 1.045 190 F CB 1.249 40.251 39.000 0.004 0.000 1.276 190 F HN 0.110 nan 8.300 nan 0.000 0.444 191 T N -1.974 112.662 114.554 0.137 0.000 2.699 191 T HA -0.282 4.068 4.350 -0.000 0.000 0.268 191 T C 1.633 176.396 174.700 0.106 0.000 1.036 191 T CA 1.984 64.138 62.100 0.089 0.000 1.147 191 T CB -0.251 68.654 68.868 0.062 0.000 0.862 191 T HN 0.625 nan 8.240 nan 0.000 0.446 192 E N 0.146 120.423 120.200 0.128 0.000 2.204 192 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 192 E C 2.009 178.675 176.600 0.109 0.000 0.989 192 E CA 0.526 56.987 56.400 0.102 0.000 0.824 192 E CB -0.155 29.600 29.700 0.092 0.000 0.756 192 E HN 0.440 nan 8.360 nan 0.000 0.477 193 L N 0.875 122.190 121.223 0.153 0.000 2.179 193 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 193 L C 1.425 178.400 176.870 0.175 0.000 1.096 193 L CA 1.476 56.418 54.840 0.169 0.000 0.779 193 L CB 0.019 42.208 42.059 0.217 0.000 0.922 193 L HN 0.015 nan 8.230 nan 0.000 0.443 194 D N -0.642 119.845 120.400 0.145 0.000 2.264 194 D HA -0.172 4.468 4.640 -0.000 0.000 0.208 194 D C 2.127 178.483 176.300 0.094 0.000 0.966 194 D CA 0.496 54.564 54.000 0.114 0.000 0.864 194 D CB 0.010 40.850 40.800 0.066 0.000 0.933 194 D HN 0.343 nan 8.370 nan 0.000 0.499 195 R N 0.165 120.715 120.500 0.083 0.000 2.066 195 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 195 R C 1.865 178.199 176.300 0.057 0.000 1.131 195 R CA 0.752 56.887 56.100 0.058 0.000 0.955 195 R CB -0.013 30.316 30.300 0.048 0.000 0.851 195 R HN 0.043 nan 8.270 nan 0.000 0.432 196 M N 0.345 119.987 119.600 0.071 0.000 2.476 196 M HA -0.047 4.433 4.480 -0.000 0.000 0.262 196 M C 1.621 177.961 176.300 0.067 0.000 1.079 196 M CA 1.486 56.821 55.300 0.060 0.000 1.104 196 M CB -0.014 32.622 32.600 0.060 0.000 1.409 196 M HN 0.361 nan 8.290 nan 0.000 0.467 197 T N -4.323 110.294 114.554 0.104 0.000 3.176 197 T HA 0.073 4.423 4.350 -0.000 0.000 0.259 197 T C 0.814 175.582 174.700 0.113 0.000 0.978 197 T CA 0.729 62.898 62.100 0.115 0.000 1.050 197 T CB -0.234 68.762 68.868 0.213 0.000 1.136 197 T HN 0.333 nan 8.240 nan 0.000 0.465 198 S N 0.664 116.439 115.700 0.124 0.000 3.711 198 S HA -0.011 4.459 4.470 -0.000 0.000 0.374 198 S C 0.785 175.440 174.600 0.093 0.000 0.969 198 S CA 0.649 58.903 58.200 0.091 0.000 1.198 198 S CB -2.228 61.008 63.200 0.058 0.000 0.903 198 S HN 1.354 nan 8.310 nan 0.000 0.493 199 G N 0.231 109.110 108.800 0.132 0.000 2.851 199 G HA2 0.598 4.558 3.960 -0.000 0.000 0.208 199 G HA3 0.598 4.558 3.960 -0.000 0.000 0.208 199 G C -0.491 174.652 174.900 0.406 0.000 1.894 199 G CA -0.563 44.672 45.100 0.225 0.000 0.732 199 G HN 0.363 nan 8.290 nan 0.000 0.802 200 F N 2.912 122.879 119.950 0.027 0.000 2.368 200 F HA 0.448 4.975 4.527 -0.000 0.000 0.362 200 F C 0.470 176.282 175.800 0.020 0.000 1.137 200 F CA -1.332 56.684 58.000 0.026 0.000 1.161 200 F CB 0.825 39.843 39.000 0.029 0.000 1.265 200 F HN 0.046 nan 8.300 nan 0.000 0.530 201 Q N 3.068 122.937 119.800 0.115 0.000 2.354 201 Q HA 0.240 4.580 4.340 -0.000 0.000 0.244 201 Q C 0.411 176.440 176.000 0.047 0.000 0.969 201 Q CA -0.403 55.439 55.803 0.065 0.000 0.885 201 Q CB 0.901 29.656 28.738 0.029 0.000 1.241 201 Q HN 0.553 nan 8.270 nan 0.000 0.461 202 R N 0.483 121.009 120.500 0.043 0.000 2.623 202 R HA 0.036 4.376 4.340 -0.000 0.000 0.271 202 R C 0.542 176.852 176.300 0.016 0.000 1.043 202 R CA 0.370 56.490 56.100 0.033 0.000 1.083 202 R CB 0.237 30.554 30.300 0.029 0.000 0.974 202 R HN 0.762 nan 8.270 nan 0.000 0.436 203 S N -0.282 115.427 115.700 0.014 0.000 3.127 203 S HA -0.141 4.329 4.470 -0.000 0.000 0.281 203 S C -0.534 174.060 174.600 -0.010 0.000 1.293 203 S CA 1.408 59.610 58.200 0.003 0.000 1.156 203 S CB -1.004 62.197 63.200 0.002 0.000 1.389 203 S HN 0.712 nan 8.310 nan 0.000 0.672 204 D N 0.823 121.211 120.400 -0.019 0.000 2.255 204 D HA 0.527 5.167 4.640 -0.000 0.000 0.249 204 D C -0.162 176.106 176.300 -0.053 0.000 1.078 204 D CA -0.372 53.599 54.000 -0.048 0.000 0.896 204 D CB 0.860 41.611 40.800 -0.083 0.000 1.194 204 D HN 0.203 nan 8.370 nan 0.000 0.429 205 L N 3.383 124.570 121.223 -0.061 0.000 2.262 205 L HA 0.442 4.782 4.340 -0.000 0.000 0.288 205 L C -1.110 175.705 176.870 -0.091 0.000 1.035 205 L CA -0.277 54.528 54.840 -0.058 0.000 0.820 205 L CB 0.417 42.450 42.059 -0.043 0.000 1.204 205 L HN 0.299 nan 8.230 nan 0.000 0.424 206 I N 6.556 127.064 120.570 -0.103 0.000 2.330 206 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 206 I C -0.335 175.727 176.117 -0.090 0.000 1.001 206 I CA -0.257 60.953 61.300 -0.149 0.000 1.193 206 I CB 1.194 39.034 38.000 -0.266 0.000 1.345 206 I HN 0.474 nan 8.210 nan 0.000 0.461 207 I N 6.981 127.479 120.570 -0.120 0.000 2.321 207 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 207 I C -0.499 175.518 176.117 -0.168 0.000 0.998 207 I CA -0.734 60.496 61.300 -0.117 0.000 1.227 207 I CB 1.579 39.497 38.000 -0.135 0.000 1.368 207 I HN 0.214 nan 8.210 nan 0.000 0.466 208 V N 6.556 126.409 119.914 -0.100 0.000 2.304 208 V HA 0.511 4.631 4.120 -0.000 0.000 0.278 208 V C 0.455 176.468 176.094 -0.135 0.000 1.018 208 V CA -0.521 61.701 62.300 -0.130 0.000 0.814 208 V CB 1.081 32.904 31.823 0.000 0.000 1.021 208 V HN 0.818 nan 8.190 nan 0.000 0.440 209 A N 4.090 126.781 122.820 -0.216 0.000 2.304 209 A HA 1.004 5.324 4.320 -0.000 0.000 0.301 209 A C 0.179 177.757 177.584 -0.011 0.000 1.132 209 A CA 0.208 52.194 52.037 -0.086 0.000 0.819 209 A CB 1.323 20.302 19.000 -0.034 0.000 1.094 209 A HN 1.539 nan 8.150 nan 0.000 0.492 210 A N 1.283 124.097 122.820 -0.009 0.000 2.566 210 A HA 0.709 5.029 4.320 -0.000 0.000 0.290 210 A C -0.462 177.091 177.584 -0.051 0.000 1.071 210 A CA -0.693 51.323 52.037 -0.034 0.000 0.658 210 A CB 0.819 19.766 19.000 -0.089 0.000 1.285 210 A HN 1.353 nan 8.150 nan 0.000 0.427 211 R N 0.438 120.904 120.500 -0.056 0.000 2.643 211 R HA 0.734 5.074 4.340 -0.000 0.000 0.272 211 R C -2.613 173.645 176.300 -0.070 0.000 0.995 211 R CA -1.660 54.403 56.100 -0.060 0.000 1.032 211 R CB -0.128 30.143 30.300 -0.050 0.000 1.126 211 R HN 0.367 nan 8.270 nan 0.000 0.505 212 P HA -0.129 nan 4.420 nan 0.000 0.262 212 P C -0.672 176.598 177.300 -0.050 0.000 1.151 212 P CA 0.712 63.779 63.100 -0.055 0.000 0.757 212 P CB 0.213 31.891 31.700 -0.038 0.000 0.754 213 S N 0.457 116.130 115.700 -0.045 0.000 3.349 213 S HA -0.111 4.359 4.470 -0.000 0.000 0.437 213 S C 0.591 175.135 174.600 -0.093 0.000 0.771 213 S CA 0.598 58.769 58.200 -0.050 0.000 1.354 213 S CB -0.721 62.465 63.200 -0.024 0.000 1.126 213 S HN 0.602 nan 8.310 nan 0.000 0.687 214 V N 2.208 122.040 119.914 -0.136 0.000 3.161 214 V HA 0.597 4.717 4.120 -0.000 0.000 0.228 214 V C 0.795 176.658 176.094 -0.384 0.000 1.415 214 V CA 1.384 63.564 62.300 -0.200 0.000 1.285 214 V CB 1.003 32.752 31.823 -0.123 0.000 1.100 214 V HN 1.001 nan 8.190 nan 0.000 0.478 215 G N 0.234 108.913 108.800 -0.203 0.000 2.591 215 G HA2 0.407 4.367 3.960 -0.000 0.000 0.306 215 G HA3 0.407 4.367 3.960 -0.000 0.000 0.306 215 G C 0.314 175.282 174.900 0.114 0.000 1.334 215 G CA 0.159 45.240 45.100 -0.032 0.000 0.981 215 G HN 0.396 nan 8.290 nan 0.000 0.491 216 K N -0.015 120.417 120.400 0.053 0.000 2.044 216 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 216 K C 1.841 178.564 176.600 0.205 0.000 1.049 216 K CA 2.159 58.501 56.287 0.091 0.000 0.927 216 K CB -0.726 31.778 32.500 0.006 0.000 0.713 216 K HN 0.317 nan 8.250 nan 0.000 0.443 217 T N 1.178 115.837 114.554 0.176 0.000 2.746 217 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 217 T C 2.184 177.030 174.700 0.244 0.000 1.039 217 T CA 1.409 63.627 62.100 0.197 0.000 1.142 217 T CB -0.363 68.602 68.868 0.162 0.000 0.866 217 T HN 0.505 nan 8.240 nan 0.000 0.444 218 A N 1.102 124.102 122.820 0.300 0.000 1.877 218 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 218 A C 2.019 179.925 177.584 0.536 0.000 1.186 218 A CA 1.378 53.654 52.037 0.397 0.000 0.620 218 A CB -1.019 18.251 19.000 0.451 0.000 0.822 218 A HN 0.459 nan 8.150 nan 0.000 0.443 219 F N 0.897 121.109 119.950 0.437 0.000 2.102 219 F HA -0.085 4.442 4.527 -0.000 0.000 0.298 219 F C 2.571 178.471 175.800 0.167 0.000 1.105 219 F CA 1.196 59.318 58.000 0.204 0.000 1.239 219 F CB -0.483 38.436 39.000 -0.136 0.000 0.991 219 F HN 0.256 nan 8.300 nan 0.000 0.474 220 A N 0.689 123.651 122.820 0.237 0.000 1.883 220 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 220 A C 2.316 179.946 177.584 0.077 0.000 1.186 220 A CA 1.941 54.061 52.037 0.138 0.000 0.624 220 A CB -1.232 17.884 19.000 0.194 0.000 0.822 220 A HN 0.481 nan 8.150 nan 0.000 0.444 221 L N -0.468 120.828 121.223 0.122 0.000 2.017 221 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 221 L C 2.390 179.299 176.870 0.066 0.000 1.073 221 L CA 1.419 56.315 54.840 0.093 0.000 0.745 221 L CB -0.919 41.210 42.059 0.116 0.000 0.894 221 L HN 0.368 nan 8.230 nan 0.000 0.432 222 N N 0.649 119.417 118.700 0.112 0.000 2.069 222 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 222 N C 1.891 177.395 175.510 -0.010 0.000 1.031 222 N CA 1.488 54.608 53.050 0.117 0.000 0.852 222 N CB -0.305 38.390 38.487 0.346 0.000 1.018 222 N HN 0.332 nan 8.380 nan 0.000 0.423 223 I N 0.874 121.397 120.570 -0.078 0.000 2.226 223 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 223 I C 2.269 178.312 176.117 -0.122 0.000 1.100 223 I CA 0.916 62.121 61.300 -0.158 0.000 1.374 223 I CB -0.385 37.465 38.000 -0.250 0.000 1.057 223 I HN 0.059 nan 8.210 nan 0.000 0.413 224 A N 0.356 123.143 122.820 -0.056 0.000 1.940 224 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 224 A C 2.258 179.814 177.584 -0.046 0.000 1.176 224 A CA 1.656 53.677 52.037 -0.028 0.000 0.631 224 A CB -0.534 18.471 19.000 0.009 0.000 0.814 224 A HN 0.498 nan 8.150 nan 0.000 0.446 225 Q N -0.590 119.178 119.800 -0.053 0.000 1.994 225 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 225 Q C 1.774 177.713 176.000 -0.101 0.000 0.976 225 Q CA 1.372 57.136 55.803 -0.065 0.000 0.828 225 Q CB -0.277 28.430 28.738 -0.052 0.000 0.894 225 Q HN 0.631 nan 8.270 nan 0.000 0.432 226 N N 0.177 118.787 118.700 -0.150 0.000 2.348 226 N HA -0.114 4.626 4.740 -0.000 0.000 0.185 226 N C 1.660 177.064 175.510 -0.178 0.000 1.019 226 N CA 0.778 53.702 53.050 -0.209 0.000 0.880 226 N CB -0.183 38.084 38.487 -0.366 0.000 0.965 226 N HN 0.037 nan 8.380 nan 0.000 0.437 227 V N 0.631 120.456 119.914 -0.149 0.000 2.331 227 V HA -0.003 4.117 4.120 -0.000 0.000 0.242 227 V C 2.251 178.302 176.094 -0.072 0.000 1.034 227 V CA 1.582 63.814 62.300 -0.114 0.000 1.027 227 V CB -0.835 30.928 31.823 -0.099 0.000 0.667 227 V HN 0.282 nan 8.190 nan 0.000 0.457 228 A N 0.566 123.351 122.820 -0.059 0.000 2.015 228 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 228 A C 2.309 179.865 177.584 -0.047 0.000 1.163 228 A CA 2.143 54.157 52.037 -0.039 0.000 0.646 228 A CB -0.635 18.345 19.000 -0.033 0.000 0.806 228 A HN 0.629 nan 8.150 nan 0.000 0.448 229 T N -3.956 110.561 114.554 -0.062 0.000 3.044 229 T HA 0.218 4.568 4.350 -0.000 0.000 0.250 229 T C 1.457 176.121 174.700 -0.061 0.000 1.081 229 T CA 0.772 62.836 62.100 -0.061 0.000 1.040 229 T CB 0.107 68.935 68.868 -0.067 0.000 0.962 229 T HN 0.454 nan 8.240 nan 0.000 0.506 230 K N 0.730 121.089 120.400 -0.069 0.000 2.370 230 K HA 0.211 4.531 4.320 -0.000 0.000 0.194 230 K C 0.073 176.642 176.600 -0.052 0.000 1.070 230 K CA 0.353 56.600 56.287 -0.067 0.000 0.998 230 K CB 0.870 33.316 32.500 -0.090 0.000 0.911 230 K HN 0.273 nan 8.250 nan 0.000 0.533 231 T N 0.664 115.190 114.554 -0.047 0.000 2.932 231 T HA 0.233 4.583 4.350 -0.000 0.000 0.289 231 T C 0.167 174.856 174.700 -0.018 0.000 1.039 231 T CA -0.817 61.265 62.100 -0.031 0.000 1.024 231 T CB 1.471 70.321 68.868 -0.030 0.000 1.090 231 T HN -0.102 nan 8.240 nan 0.000 0.496 232 N N 1.682 120.378 118.700 -0.008 0.000 2.413 232 N HA 0.033 4.773 4.740 -0.000 0.000 0.207 232 N C -0.134 175.385 175.510 0.015 0.000 1.206 232 N CA 0.198 53.250 53.050 0.003 0.000 0.832 232 N CB 0.110 38.600 38.487 0.004 0.000 1.037 232 N HN 0.499 nan 8.380 nan 0.000 0.467 233 E N 0.539 120.747 120.200 0.013 0.000 2.301 233 E HA 0.185 4.535 4.350 -0.000 0.000 0.275 233 E C -0.054 176.574 176.600 0.046 0.000 1.030 233 E CA -0.180 56.235 56.400 0.026 0.000 0.852 233 E CB 1.137 30.848 29.700 0.019 0.000 1.060 233 E HN 0.184 nan 8.360 nan 0.000 0.401 234 N N 1.226 119.969 118.700 0.072 0.000 2.434 234 N HA 0.210 4.950 4.740 -0.000 0.000 0.272 234 N C -0.246 175.335 175.510 0.118 0.000 1.040 234 N CA -0.405 52.727 53.050 0.137 0.000 0.956 234 N CB 1.737 40.334 38.487 0.184 0.000 1.108 234 N HN 0.203 nan 8.380 nan 0.000 0.481 235 V N -0.236 119.756 119.914 0.131 0.000 2.532 235 V HA 0.820 4.940 4.120 -0.000 0.000 0.295 235 V C 0.000 176.167 176.094 0.121 0.000 1.041 235 V CA -0.911 61.450 62.300 0.100 0.000 0.926 235 V CB 1.266 33.125 31.823 0.059 0.000 0.992 235 V HN 0.636 nan 8.190 nan 0.000 0.457 236 A N 6.171 129.039 122.820 0.080 0.000 2.267 236 A HA 0.830 5.150 4.320 -0.000 0.000 0.315 236 A C -0.413 177.120 177.584 -0.085 0.000 1.297 236 A CA -0.605 51.420 52.037 -0.020 0.000 0.865 236 A CB 0.080 19.086 19.000 0.010 0.000 1.165 236 A HN 0.888 nan 8.150 nan 0.000 0.513 237 I N 1.645 122.096 120.570 -0.198 0.000 2.392 237 I HA 0.419 4.589 4.170 -0.000 0.000 0.295 237 I C -1.091 174.828 176.117 -0.330 0.000 0.985 237 I CA -0.358 60.876 61.300 -0.110 0.000 1.221 237 I CB 1.476 39.462 38.000 -0.022 0.000 1.366 237 I HN 0.550 nan 8.210 nan 0.000 0.467 238 F N 3.878 123.860 119.950 0.054 0.000 2.366 238 F HA 0.306 4.833 4.527 -0.000 0.000 0.366 238 F C 0.330 176.152 175.800 0.037 0.000 1.096 238 F CA -0.660 57.363 58.000 0.039 0.000 1.060 238 F CB 1.507 40.522 39.000 0.026 0.000 1.282 238 F HN 0.371 nan 8.300 nan 0.000 0.450 239 S N 3.640 119.425 115.700 0.142 0.000 2.442 239 S HA 0.578 5.048 4.470 -0.000 0.000 0.297 239 S C 0.296 174.945 174.600 0.083 0.000 1.131 239 S CA -0.763 57.504 58.200 0.111 0.000 1.092 239 S CB 1.148 64.399 63.200 0.086 0.000 0.998 239 S HN 0.671 nan 8.310 nan 0.000 0.478 240 L N 1.496 122.747 121.223 0.047 0.000 2.590 240 L HA 0.293 4.633 4.340 -0.000 0.000 0.227 240 L C 2.175 179.044 176.870 -0.002 0.000 1.099 240 L CA 0.219 55.056 54.840 -0.005 0.000 0.872 240 L CB -0.236 41.767 42.059 -0.094 0.000 1.088 240 L HN 0.676 nan 8.230 nan 0.000 0.479 241 E N 0.971 121.197 120.200 0.042 0.000 2.094 241 E HA 0.087 4.437 4.350 -0.000 0.000 0.193 241 E C 0.783 177.424 176.600 0.069 0.000 0.950 241 E CA 0.292 56.737 56.400 0.075 0.000 0.842 241 E CB 0.306 30.098 29.700 0.153 0.000 0.816 241 E HN 0.299 nan 8.360 nan 0.000 0.465 242 M N 0.668 120.314 119.600 0.077 0.000 2.367 242 M HA 0.380 4.859 4.480 -0.000 0.000 0.339 242 M C 0.178 176.506 176.300 0.048 0.000 1.177 242 M CA -0.806 54.531 55.300 0.061 0.000 1.068 242 M CB 1.575 34.215 32.600 0.066 0.000 1.602 242 M HN -0.166 nan 8.290 nan 0.000 0.457 243 S N 2.181 117.902 115.700 0.036 0.000 2.589 243 S HA 0.411 4.881 4.470 -0.000 0.000 0.265 243 S C 1.173 175.786 174.600 0.020 0.000 1.342 243 S CA -0.238 57.977 58.200 0.026 0.000 1.005 243 S CB 0.973 64.185 63.200 0.020 0.000 0.909 243 S HN 0.927 nan 8.310 nan 0.000 0.555 244 A N 1.013 123.839 122.820 0.010 0.000 1.940 244 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 244 A C 2.373 179.956 177.584 -0.003 0.000 1.176 244 A CA 1.489 53.525 52.037 -0.002 0.000 0.631 244 A CB -0.912 18.081 19.000 -0.013 0.000 0.814 244 A HN 0.844 nan 8.150 nan 0.000 0.446 245 Q N -0.889 118.911 119.800 0.001 0.000 2.050 245 Q HA -0.244 4.095 4.340 -0.000 0.000 0.202 245 Q C 2.235 178.237 176.000 0.004 0.000 0.980 245 Q CA 2.008 57.810 55.803 -0.000 0.000 0.840 245 Q CB -0.308 28.431 28.738 0.003 0.000 0.898 245 Q HN 0.892 nan 8.270 nan 0.000 0.424 246 Q N 0.242 120.050 119.800 0.013 0.000 2.172 246 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 246 Q C 2.172 178.187 176.000 0.024 0.000 0.964 246 Q CA 0.542 56.357 55.803 0.019 0.000 0.855 246 Q CB 0.011 28.766 28.738 0.029 0.000 0.918 246 Q HN 0.310 nan 8.270 nan 0.000 0.444 247 L N -0.382 120.856 121.223 0.024 0.000 2.056 247 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 247 L C 1.983 178.861 176.870 0.015 0.000 1.078 247 L CA 0.845 55.702 54.840 0.029 0.000 0.749 247 L CB -0.017 42.058 42.059 0.027 0.000 0.901 247 L HN 0.086 nan 8.230 nan 0.000 0.433 248 V N -0.572 119.342 119.914 -0.001 0.000 2.548 248 V HA -0.248 3.871 4.120 -0.000 0.000 0.249 248 V C 2.561 178.647 176.094 -0.013 0.000 1.055 248 V CA 1.293 63.584 62.300 -0.014 0.000 1.065 248 V CB -0.372 31.436 31.823 -0.025 0.000 0.681 248 V HN 0.399 nan 8.190 nan 0.000 0.462 249 M N -0.301 119.294 119.600 -0.007 0.000 2.080 249 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 249 M C 2.413 178.712 176.300 -0.003 0.000 1.068 249 M CA 1.922 57.215 55.300 -0.011 0.000 1.109 249 M CB -0.902 31.695 32.600 -0.006 0.000 1.342 249 M HN 0.205 nan 8.290 nan 0.000 0.405 250 R N -0.516 119.993 120.500 0.016 0.000 2.092 250 R HA -0.002 4.338 4.340 -0.000 0.000 0.231 250 R C 2.165 178.480 176.300 0.026 0.000 1.119 250 R CA 1.396 57.515 56.100 0.032 0.000 0.970 250 R CB -0.395 29.940 30.300 0.058 0.000 0.864 250 R HN 0.383 nan 8.270 nan 0.000 0.440 251 M N 0.061 119.670 119.600 0.014 0.000 2.067 251 M HA -0.131 4.349 4.480 -0.000 0.000 0.260 251 M C 1.700 177.987 176.300 -0.021 0.000 1.069 251 M CA 1.551 56.853 55.300 0.002 0.000 1.117 251 M CB -0.415 32.181 32.600 -0.007 0.000 1.334 251 M HN 0.096 nan 8.290 nan 0.000 0.407 252 L N -2.026 119.178 121.223 -0.032 0.000 2.291 252 L HA -0.008 4.332 4.340 -0.000 0.000 0.214 252 L C 2.355 179.186 176.870 -0.065 0.000 1.120 252 L CA 1.076 55.886 54.840 -0.051 0.000 0.799 252 L CB -2.005 40.023 42.059 -0.052 0.000 0.925 252 L HN 0.317 nan 8.230 nan 0.000 0.446 253 C N 0.271 119.544 119.300 -0.045 0.000 2.440 253 C HA 0.125 4.585 4.460 -0.000 0.000 0.278 253 C C 2.954 177.907 174.990 -0.063 0.000 1.295 253 C CA 0.837 59.831 59.018 -0.039 0.000 1.738 253 C CB -0.981 26.762 27.740 0.005 0.000 1.987 253 C HN 0.706 nan 8.230 nan 0.000 0.492 254 A N -0.361 122.436 122.820 -0.039 0.000 1.935 254 A HA -0.010 4.309 4.320 -0.000 0.000 0.214 254 A C 1.969 179.491 177.584 -0.104 0.000 1.178 254 A CA 1.529 53.537 52.037 -0.048 0.000 0.640 254 A CB -0.725 18.287 19.000 0.020 0.000 0.825 254 A HN 0.610 nan 8.150 nan 0.000 0.447 255 E N 0.420 120.570 120.200 -0.084 0.000 2.070 255 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 255 E C 1.510 178.034 176.600 -0.125 0.000 1.004 255 E CA 1.783 58.129 56.400 -0.091 0.000 0.805 255 E CB -0.506 29.150 29.700 -0.073 0.000 0.744 255 E HN 0.398 nan 8.360 nan 0.000 0.451 256 G N -1.050 107.658 108.800 -0.154 0.000 3.690 256 G HA2 0.053 4.013 3.960 -0.000 0.000 0.283 256 G HA3 0.053 4.013 3.960 -0.000 0.000 0.283 256 G C -0.463 174.266 174.900 -0.286 0.000 1.057 256 G CA -0.020 44.975 45.100 -0.175 0.000 0.821 256 G HN 0.181 nan 8.290 nan 0.000 0.526 257 N N 0.192 118.614 118.700 -0.464 0.000 2.705 257 N HA -0.151 4.589 4.740 -0.000 0.000 0.255 257 N C -0.220 174.802 175.510 -0.814 0.000 1.008 257 N CA 0.873 53.307 53.050 -1.027 0.000 0.742 257 N CB -1.074 36.906 38.487 -0.845 0.000 0.906 257 N HN 0.468 nan 8.380 nan 0.000 0.541 258 I N 0.123 120.449 120.570 -0.407 0.000 2.359 258 I HA 0.159 4.329 4.170 -0.000 0.000 0.294 258 I C 0.860 177.060 176.117 0.138 0.000 0.987 258 I CA -0.884 60.353 61.300 -0.105 0.000 1.225 258 I CB 1.325 39.259 38.000 -0.110 0.000 1.366 258 I HN -0.020 nan 8.210 nan 0.000 0.466 259 N N 4.481 123.297 118.700 0.193 0.000 2.438 259 N HA 0.132 4.872 4.740 -0.000 0.000 0.267 259 N C 0.891 176.427 175.510 0.043 0.000 1.222 259 N CA 0.337 53.477 53.050 0.149 0.000 0.930 259 N CB 1.414 39.942 38.487 0.068 0.000 1.083 259 N HN 0.765 nan 8.380 nan 0.000 0.476 260 A N 3.881 126.723 122.820 0.037 0.000 1.917 260 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 260 A C 1.846 179.419 177.584 -0.019 0.000 1.182 260 A CA 1.625 53.664 52.037 0.003 0.000 0.633 260 A CB -0.616 18.388 19.000 0.006 0.000 0.819 260 A HN 0.794 nan 8.150 nan 0.000 0.448 261 Q N -0.007 119.780 119.800 -0.022 0.000 2.248 261 Q HA -0.184 4.155 4.340 -0.000 0.000 0.208 261 Q C 1.642 177.623 176.000 -0.033 0.000 0.984 261 Q CA 2.091 57.879 55.803 -0.025 0.000 0.875 261 Q CB -0.488 28.234 28.738 -0.027 0.000 0.910 261 Q HN 0.901 nan 8.270 nan 0.000 0.433 262 N N -1.209 117.466 118.700 -0.042 0.000 2.333 262 N HA -0.044 4.696 4.740 -0.000 0.000 0.178 262 N C 0.916 176.369 175.510 -0.096 0.000 1.018 262 N CA 0.317 53.329 53.050 -0.064 0.000 0.882 262 N CB 0.066 38.510 38.487 -0.072 0.000 0.984 262 N HN 0.053 nan 8.380 nan 0.000 0.434 263 L N 1.236 122.400 121.223 -0.098 0.000 2.056 263 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 263 L C 2.185 179.010 176.870 -0.075 0.000 1.078 263 L CA 1.526 56.297 54.840 -0.115 0.000 0.749 263 L CB -0.499 41.502 42.059 -0.098 0.000 0.901 263 L HN 0.063 nan 8.230 nan 0.000 0.433 264 R N -1.191 119.281 120.500 -0.048 0.000 2.062 264 R HA -0.035 4.305 4.340 -0.000 0.000 0.231 264 R C 0.760 177.045 176.300 -0.024 0.000 1.136 264 R CA 1.475 57.557 56.100 -0.029 0.000 0.948 264 R CB -0.767 29.522 30.300 -0.018 0.000 0.845 264 R HN 0.211 nan 8.270 nan 0.000 0.430 265 T N 0.997 115.535 114.554 -0.026 0.000 4.058 265 T HA 0.219 4.569 4.350 -0.000 0.000 0.252 265 T C 1.049 175.738 174.700 -0.018 0.000 1.264 265 T CA 0.234 62.324 62.100 -0.016 0.000 1.094 265 T CB 0.275 69.136 68.868 -0.013 0.000 1.316 265 T HN 0.577 nan 8.240 nan 0.000 0.872 266 G N 3.065 111.854 108.800 -0.019 0.000 3.517 266 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.372 266 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.372 266 G C 0.425 175.312 174.900 -0.022 0.000 1.874 266 G CA 0.412 45.506 45.100 -0.010 0.000 2.017 266 G HN 0.603 nan 8.290 nan 0.000 0.877 267 K N 1.276 121.679 120.400 0.004 0.000 2.364 267 K HA 0.129 4.449 4.320 -0.000 0.000 0.265 267 K C 0.041 176.622 176.600 -0.031 0.000 1.189 267 K CA 0.368 56.666 56.287 0.018 0.000 1.224 267 K CB -0.263 32.252 32.500 0.026 0.000 0.813 267 K HN 0.345 nan 8.250 nan 0.000 0.490 268 L N 3.008 124.206 121.223 -0.041 0.000 2.329 268 L HA 0.258 4.598 4.340 -0.000 0.000 0.279 268 L C 0.844 177.719 176.870 0.009 0.000 1.014 268 L CA -0.871 53.862 54.840 -0.179 0.000 0.814 268 L CB 1.840 43.482 42.059 -0.696 0.000 1.257 268 L HN 0.636 nan 8.230 nan 0.000 0.424 269 T N -1.264 113.293 114.554 0.005 0.000 2.849 269 T HA 0.293 4.643 4.350 -0.000 0.000 0.284 269 T C -1.964 172.848 174.700 0.186 0.000 1.004 269 T CA -1.675 60.483 62.100 0.098 0.000 1.021 269 T CB 1.180 70.078 68.868 0.050 0.000 1.013 269 T HN 0.368 nan 8.240 nan 0.000 0.527 270 P HA 0.060 nan 4.420 nan 0.000 0.233 270 P C 1.160 178.557 177.300 0.161 0.000 1.167 270 P CA 0.552 63.805 63.100 0.255 0.000 0.770 270 P CB 0.078 31.865 31.700 0.146 0.000 0.837 271 E N -0.018 120.237 120.200 0.092 0.000 2.150 271 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 271 E C 1.144 177.762 176.600 0.030 0.000 0.985 271 E CA 0.890 57.320 56.400 0.051 0.000 0.814 271 E CB -0.075 29.641 29.700 0.027 0.000 0.752 271 E HN 0.134 nan 8.360 nan 0.000 0.466 272 D N -0.649 119.752 120.400 0.001 0.000 2.137 272 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 272 D C 1.461 177.696 176.300 -0.108 0.000 0.970 272 D CA 0.608 54.548 54.000 -0.101 0.000 0.837 272 D CB -0.384 40.293 40.800 -0.205 0.000 0.981 272 D HN 0.283 nan 8.370 nan 0.000 0.475 273 W N 1.542 122.833 121.300 -0.014 0.000 2.333 273 W HA -0.086 4.574 4.660 -0.000 0.000 0.316 273 W C 2.565 179.072 176.519 -0.020 0.000 1.215 273 W CA 1.458 58.794 57.345 -0.015 0.000 1.278 273 W CB -0.644 28.809 29.460 -0.012 0.000 1.154 273 W HN 0.024 nan 8.180 nan 0.000 0.486 274 G N -0.350 108.586 108.800 0.226 0.000 2.408 274 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 274 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 274 G C 1.435 176.369 174.900 0.057 0.000 1.150 274 G CA 0.959 46.130 45.100 0.117 0.000 0.776 274 G HN 0.185 nan 8.290 nan 0.000 0.542 275 K N -0.560 119.856 120.400 0.027 0.000 2.217 275 K HA 0.072 4.392 4.320 -0.000 0.000 0.202 275 K C 2.251 178.826 176.600 -0.041 0.000 1.051 275 K CA 0.536 56.807 56.287 -0.026 0.000 0.952 275 K CB -0.086 32.380 32.500 -0.056 0.000 0.736 275 K HN 0.308 nan 8.250 nan 0.000 0.453 276 L N 0.542 121.750 121.223 -0.026 0.000 2.084 276 L HA -0.086 4.254 4.340 -0.000 0.000 0.202 276 L C 2.166 179.041 176.870 0.008 0.000 1.074 276 L CA 2.058 56.874 54.840 -0.040 0.000 0.757 276 L CB -0.841 41.161 42.059 -0.096 0.000 0.918 276 L HN 0.211 nan 8.230 nan 0.000 0.444 277 T N -2.507 112.086 114.554 0.066 0.000 2.849 277 T HA -0.299 4.051 4.350 -0.000 0.000 0.270 277 T C 1.865 176.578 174.700 0.022 0.000 1.066 277 T CA 1.944 64.082 62.100 0.063 0.000 1.130 277 T CB -0.638 68.283 68.868 0.088 0.000 0.864 277 T HN 0.423 nan 8.240 nan 0.000 0.481 278 M N 1.235 120.840 119.600 0.008 0.000 2.123 278 M HA 0.220 4.700 4.480 -0.000 0.000 0.263 278 M C 2.612 178.895 176.300 -0.027 0.000 1.069 278 M CA 1.619 56.912 55.300 -0.012 0.000 1.133 278 M CB -0.374 32.214 32.600 -0.020 0.000 1.356 278 M HN 0.346 nan 8.290 nan 0.000 0.415 279 A N 0.781 123.578 122.820 -0.037 0.000 1.969 279 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 279 A C 2.103 179.662 177.584 -0.042 0.000 1.169 279 A CA 1.826 53.832 52.037 -0.051 0.000 0.635 279 A CB -0.827 18.133 19.000 -0.068 0.000 0.810 279 A HN 0.788 nan 8.150 nan 0.000 0.445 280 M N -2.204 117.378 119.600 -0.029 0.000 2.510 280 M HA 0.273 4.753 4.480 -0.000 0.000 0.256 280 M C 1.791 178.077 176.300 -0.024 0.000 1.132 280 M CA 1.054 56.338 55.300 -0.027 0.000 1.105 280 M CB -0.311 32.278 32.600 -0.018 0.000 1.375 280 M HN 0.111 nan 8.290 nan 0.000 0.477 281 G N 0.892 109.681 108.800 -0.019 0.000 2.394 281 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.214 281 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.214 281 G C 1.563 176.447 174.900 -0.028 0.000 1.176 281 G CA 0.988 46.077 45.100 -0.019 0.000 0.786 281 G HN 0.507 nan 8.290 nan 0.000 0.533 282 S N -0.383 115.298 115.700 -0.032 0.000 2.399 282 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 282 S C 2.166 176.738 174.600 -0.046 0.000 1.022 282 S CA 1.025 59.201 58.200 -0.039 0.000 0.983 282 S CB -0.134 63.040 63.200 -0.044 0.000 0.803 282 S HN 0.134 nan 8.310 nan 0.000 0.480 283 L N 0.841 122.036 121.223 -0.047 0.000 2.477 283 L HA 0.356 4.696 4.340 -0.000 0.000 0.220 283 L C 2.373 179.207 176.870 -0.060 0.000 1.106 283 L CA 0.896 55.703 54.840 -0.054 0.000 0.851 283 L CB -0.375 41.652 42.059 -0.053 0.000 0.994 283 L HN 0.334 nan 8.230 nan 0.000 0.462 284 S N -0.608 115.061 115.700 -0.051 0.000 2.428 284 S HA -0.101 4.369 4.470 -0.000 0.000 0.230 284 S C 1.765 176.331 174.600 -0.056 0.000 1.014 284 S CA 0.977 59.144 58.200 -0.054 0.000 0.957 284 S CB -0.185 62.991 63.200 -0.040 0.000 0.784 284 S HN 0.496 nan 8.310 nan 0.000 0.499 285 N N 1.883 120.555 118.700 -0.047 0.000 2.309 285 N HA 0.131 4.871 4.740 -0.000 0.000 0.182 285 N C 0.651 176.133 175.510 -0.046 0.000 1.018 285 N CA 0.785 53.810 53.050 -0.041 0.000 0.876 285 N CB -0.622 37.845 38.487 -0.033 0.000 0.972 285 N HN 0.496 nan 8.380 nan 0.000 0.434 286 A N -0.774 122.010 122.820 -0.060 0.000 2.366 286 A HA 0.514 4.834 4.320 -0.000 0.000 0.249 286 A C 1.356 178.873 177.584 -0.112 0.000 1.084 286 A CA 0.481 52.477 52.037 -0.067 0.000 0.794 286 A CB 0.066 19.023 19.000 -0.071 0.000 1.034 286 A HN 0.407 nan 8.150 nan 0.000 0.491 287 G N -0.691 108.030 108.800 -0.132 0.000 2.192 287 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.193 287 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.193 287 G C -0.102 174.773 174.900 -0.043 0.000 0.999 287 G CA 0.070 45.151 45.100 -0.031 0.000 0.659 287 G HN 0.776 nan 8.290 nan 0.000 0.503 288 I N 0.808 121.249 120.570 -0.215 0.000 2.418 288 I HA 0.515 4.685 4.170 -0.000 0.000 0.287 288 I C -0.975 174.900 176.117 -0.404 0.000 1.008 288 I CA -1.179 60.011 61.300 -0.184 0.000 1.104 288 I CB 1.610 39.531 38.000 -0.132 0.000 1.264 288 I HN 0.029 nan 8.210 nan 0.000 0.438 289 Y N 6.659 126.909 120.300 -0.083 0.000 2.338 289 Y HA 0.569 5.118 4.550 -0.000 0.000 0.328 289 Y C -0.104 175.685 175.900 -0.185 0.000 0.965 289 Y CA -0.562 57.469 58.100 -0.114 0.000 1.208 289 Y CB 1.362 39.758 38.460 -0.107 0.000 1.132 289 Y HN 0.327 nan 8.280 nan 0.000 0.469 290 I N 2.949 123.477 120.570 -0.070 0.000 2.525 290 I HA 0.387 4.557 4.170 -0.000 0.000 0.301 290 I C -0.793 175.234 176.117 -0.149 0.000 0.992 290 I CA -0.719 60.502 61.300 -0.132 0.000 1.162 290 I CB 1.794 39.745 38.000 -0.082 0.000 1.332 290 I HN 0.456 nan 8.210 nan 0.000 0.458 291 D N 4.124 124.397 120.400 -0.212 0.000 2.575 291 D HA 0.176 4.816 4.640 -0.000 0.000 0.250 291 D C -0.765 175.532 176.300 -0.005 0.000 1.279 291 D CA -0.505 53.428 54.000 -0.111 0.000 0.925 291 D CB 1.147 41.852 40.800 -0.159 0.000 1.261 291 D HN 0.558 nan 8.370 nan 0.000 0.567 292 D N 1.770 122.181 120.400 0.019 0.000 2.525 292 D HA 0.039 4.679 4.640 -0.000 0.000 0.229 292 D C -0.191 176.136 176.300 0.046 0.000 1.202 292 D CA -0.293 53.730 54.000 0.038 0.000 0.828 292 D CB -0.440 40.374 40.800 0.024 0.000 1.008 292 D HN 0.227 nan 8.370 nan 0.000 0.493 293 T N -0.831 113.760 114.554 0.062 0.000 2.769 293 T HA 0.198 4.548 4.350 -0.000 0.000 0.293 293 T C -1.594 173.132 174.700 0.043 0.000 0.931 293 T CA -1.115 61.017 62.100 0.052 0.000 1.139 293 T CB 1.414 70.318 68.868 0.060 0.000 0.881 293 T HN -0.208 nan 8.240 nan 0.000 0.532 294 P HA -0.157 nan 4.420 nan 0.000 0.211 294 P C 0.614 177.910 177.300 -0.006 0.000 0.906 294 P CA 0.937 64.042 63.100 0.008 0.000 1.017 294 P CB -0.090 31.614 31.700 0.007 0.000 0.717 295 S N -0.513 115.182 115.700 -0.008 0.000 2.404 295 S HA 0.394 4.864 4.470 -0.000 0.000 0.309 295 S C -0.239 174.352 174.600 -0.014 0.000 1.076 295 S CA -0.717 57.470 58.200 -0.022 0.000 1.095 295 S CB -1.185 62.002 63.200 -0.022 0.000 0.972 295 S HN 0.030 nan 8.310 nan 0.000 0.484 296 I N 4.954 125.511 120.570 -0.021 0.000 2.607 296 I HA 0.562 4.732 4.170 -0.000 0.000 0.305 296 I C -0.159 175.926 176.117 -0.053 0.000 0.995 296 I CA -1.064 60.223 61.300 -0.021 0.000 1.148 296 I CB 1.169 39.169 38.000 0.001 0.000 1.323 296 I HN 0.583 nan 8.210 nan 0.000 0.461 297 R N 4.410 124.878 120.500 -0.053 0.000 2.598 297 R HA 0.343 4.683 4.340 -0.000 0.000 0.279 297 R C 0.797 177.038 176.300 -0.098 0.000 0.984 297 R CA -0.818 55.243 56.100 -0.064 0.000 0.999 297 R CB 1.467 31.741 30.300 -0.043 0.000 1.114 297 R HN 0.484 nan 8.270 nan 0.000 0.493 298 V N 0.990 120.844 119.914 -0.100 0.000 2.332 298 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 298 V C 2.362 178.387 176.094 -0.115 0.000 1.055 298 V CA 2.496 64.720 62.300 -0.126 0.000 1.038 298 V CB -0.740 31.026 31.823 -0.094 0.000 0.651 298 V HN 0.971 nan 8.190 nan 0.000 0.450 299 S N 0.316 115.970 115.700 -0.076 0.000 2.382 299 S HA -0.235 4.235 4.470 -0.000 0.000 0.228 299 S C 1.604 176.174 174.600 -0.050 0.000 1.027 299 S CA 1.521 59.688 58.200 -0.056 0.000 0.991 299 S CB -0.583 62.594 63.200 -0.038 0.000 0.823 299 S HN 0.598 nan 8.310 nan 0.000 0.469 300 D N 1.965 122.335 120.400 -0.050 0.000 2.178 300 D HA 0.023 4.663 4.640 -0.000 0.000 0.201 300 D C 1.889 178.174 176.300 -0.026 0.000 0.980 300 D CA 0.926 54.913 54.000 -0.022 0.000 0.842 300 D CB -0.424 40.370 40.800 -0.009 0.000 0.948 300 D HN 0.480 nan 8.370 nan 0.000 0.472 301 I N 0.983 121.470 120.570 -0.139 0.000 2.179 301 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 301 I C 2.506 178.572 176.117 -0.085 0.000 1.088 301 I CA 1.042 62.169 61.300 -0.288 0.000 1.357 301 I CB -0.196 37.451 38.000 -0.588 0.000 1.051 301 I HN -0.065 nan 8.210 nan 0.000 0.409 302 R N 1.153 121.609 120.500 -0.075 0.000 2.083 302 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 302 R C 2.473 178.775 176.300 0.004 0.000 1.137 302 R CA 1.583 57.666 56.100 -0.028 0.000 0.951 302 R CB -0.757 29.522 30.300 -0.035 0.000 0.851 302 R HN 0.372 nan 8.270 nan 0.000 0.434 303 A N 2.091 124.915 122.820 0.005 0.000 1.865 303 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 303 A C 2.065 179.669 177.584 0.033 0.000 1.191 303 A CA 1.712 53.758 52.037 0.015 0.000 0.623 303 A CB -0.362 18.646 19.000 0.012 0.000 0.826 303 A HN 0.265 nan 8.150 nan 0.000 0.444 304 K N -1.052 119.390 120.400 0.070 0.000 2.097 304 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 304 K C 2.044 178.692 176.600 0.080 0.000 1.050 304 K CA 1.310 57.653 56.287 0.093 0.000 0.938 304 K CB -0.400 32.206 32.500 0.177 0.000 0.718 304 K HN 0.565 nan 8.250 nan 0.000 0.442 305 C N 0.515 119.884 119.300 0.115 0.000 2.457 305 C HA 0.017 4.477 4.460 -0.000 0.000 0.278 305 C C 2.557 177.557 174.990 0.018 0.000 1.309 305 C CA 0.375 59.444 59.018 0.085 0.000 1.735 305 C CB -0.665 27.149 27.740 0.124 0.000 1.992 305 C HN 0.419 nan 8.230 nan 0.000 0.493 306 R N 0.585 121.093 120.500 0.013 0.000 2.075 306 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 306 R C 2.405 178.695 176.300 -0.016 0.000 1.126 306 R CA 1.206 57.304 56.100 -0.003 0.000 0.963 306 R CB -0.244 30.054 30.300 -0.003 0.000 0.858 306 R HN 0.547 nan 8.270 nan 0.000 0.435 307 R N 0.217 120.708 120.500 -0.014 0.000 2.148 307 R HA -0.097 4.243 4.340 -0.000 0.000 0.227 307 R C 2.132 178.399 176.300 -0.055 0.000 1.103 307 R CA 0.771 56.856 56.100 -0.025 0.000 0.983 307 R CB -0.245 30.046 30.300 -0.014 0.000 0.874 307 R HN 0.132 nan 8.270 nan 0.000 0.451 308 L N 1.407 122.582 121.223 -0.080 0.000 2.068 308 L HA -0.092 4.248 4.340 -0.000 0.000 0.204 308 L C 2.260 179.042 176.870 -0.147 0.000 1.076 308 L CA 1.799 56.538 54.840 -0.169 0.000 0.753 308 L CB -0.419 41.492 42.059 -0.246 0.000 0.910 308 L HN -0.073 nan 8.230 nan 0.000 0.439 309 K N -0.676 119.670 120.400 -0.091 0.000 2.009 309 K HA -0.248 4.072 4.320 -0.000 0.000 0.210 309 K C 2.062 178.632 176.600 -0.049 0.000 1.049 309 K CA 2.137 58.387 56.287 -0.062 0.000 0.929 309 K CB -0.270 32.211 32.500 -0.032 0.000 0.714 309 K HN 0.494 nan 8.250 nan 0.000 0.440 310 Q N -0.260 119.516 119.800 -0.039 0.000 2.291 310 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 310 Q C 1.516 177.498 176.000 -0.030 0.000 0.976 310 Q CA 1.454 57.240 55.803 -0.028 0.000 0.875 310 Q CB 0.168 28.893 28.738 -0.021 0.000 0.927 310 Q HN 0.487 nan 8.270 nan 0.000 0.450 311 E N -1.223 118.951 120.200 -0.044 0.000 2.244 311 E HA 0.062 4.412 4.350 -0.000 0.000 0.196 311 E C 1.399 177.975 176.600 -0.041 0.000 0.939 311 E CA 0.435 56.811 56.400 -0.039 0.000 0.884 311 E CB 0.577 30.253 29.700 -0.040 0.000 0.850 311 E HN 0.053 nan 8.360 nan 0.000 0.481 312 S N -1.307 114.349 115.700 -0.072 0.000 2.942 312 S HA 0.344 4.814 4.470 -0.000 0.000 0.220 312 S C 1.155 175.729 174.600 -0.043 0.000 0.945 312 S CA 0.471 58.635 58.200 -0.059 0.000 0.851 312 S CB 1.128 64.259 63.200 -0.115 0.000 0.820 312 S HN 0.366 nan 8.310 nan 0.000 0.624 313 G N 0.870 109.630 108.800 -0.066 0.000 4.432 313 G HA2 0.251 4.211 3.960 -0.000 0.000 0.158 313 G HA3 0.251 4.211 3.960 -0.000 0.000 0.158 313 G C -0.347 174.535 174.900 -0.031 0.000 1.637 313 G CA 0.001 45.081 45.100 -0.034 0.000 0.900 313 G HN 0.993 nan 8.290 nan 0.000 0.292 314 L N -1.530 119.679 121.223 -0.024 0.000 3.434 314 L HA 0.303 4.643 4.340 -0.000 0.000 0.332 314 L C 0.095 176.974 176.870 0.016 0.000 1.130 314 L CA 1.051 55.892 54.840 0.001 0.000 1.259 314 L CB -1.244 40.809 42.059 -0.011 0.000 1.246 314 L HN 2.234 nan 8.230 nan 0.000 0.520 315 G N -1.683 107.134 108.800 0.029 0.000 2.559 315 G HA2 0.723 4.683 3.960 -0.000 0.000 0.291 315 G HA3 0.723 4.683 3.960 -0.000 0.000 0.291 315 G C -1.718 173.219 174.900 0.062 0.000 1.424 315 G CA -0.266 44.860 45.100 0.043 0.000 0.786 315 G HN 1.313 nan 8.290 nan 0.000 0.485 316 M N 0.299 119.947 119.600 0.079 0.000 2.413 316 M HA 0.660 5.140 4.480 -0.000 0.000 0.287 316 M C -1.958 174.415 176.300 0.122 0.000 1.186 316 M CA -0.801 54.562 55.300 0.105 0.000 0.927 316 M CB 2.280 34.942 32.600 0.104 0.000 1.715 316 M HN 0.432 nan 8.290 nan 0.000 0.478 317 I N 4.186 124.843 120.570 0.146 0.000 2.418 317 I HA 0.470 4.640 4.170 -0.000 0.000 0.287 317 I C -0.991 175.247 176.117 0.202 0.000 1.008 317 I CA -0.916 60.503 61.300 0.198 0.000 1.104 317 I CB 1.975 40.096 38.000 0.202 0.000 1.264 317 I HN 0.332 nan 8.210 nan 0.000 0.438 318 V N 7.480 127.531 119.914 0.227 0.000 2.417 318 V HA 0.494 4.614 4.120 -0.000 0.000 0.291 318 V C -0.053 176.204 176.094 0.271 0.000 1.024 318 V CA -0.447 61.978 62.300 0.208 0.000 0.861 318 V CB 1.854 33.770 31.823 0.155 0.000 0.985 318 V HN 0.489 nan 8.190 nan 0.000 0.436 319 I N 3.890 124.591 120.570 0.219 0.000 2.436 319 I HA 0.475 4.645 4.170 -0.000 0.000 0.289 319 I C -1.066 175.164 176.117 0.188 0.000 1.010 319 I CA -0.251 61.173 61.300 0.207 0.000 1.098 319 I CB 2.058 40.120 38.000 0.103 0.000 1.266 319 I HN 0.611 nan 8.210 nan 0.000 0.434 320 D N 6.932 127.449 120.400 0.195 0.000 2.421 320 D HA 0.377 5.017 4.640 -0.000 0.000 0.254 320 D C -1.168 175.227 176.300 0.158 0.000 1.238 320 D CA -0.185 53.959 54.000 0.239 0.000 0.919 320 D CB 0.653 41.592 40.800 0.230 0.000 1.152 320 D HN 0.362 nan 8.370 nan 0.000 0.552 321 Y N 1.053 121.394 120.300 0.068 0.000 2.857 321 Y HA 0.412 4.962 4.550 -0.000 0.000 0.318 321 Y C 1.024 176.944 175.900 0.034 0.000 1.313 321 Y CA -1.205 56.928 58.100 0.055 0.000 1.117 321 Y CB 0.523 39.012 38.460 0.048 0.000 1.344 321 Y HN 0.108 nan 8.280 nan 0.000 0.525 322 L N -0.304 121.036 121.223 0.194 0.000 2.446 322 L HA 0.099 4.439 4.340 -0.000 0.000 0.219 322 L C 1.014 177.900 176.870 0.027 0.000 1.116 322 L CA 0.587 55.462 54.840 0.058 0.000 0.844 322 L CB -0.207 41.886 42.059 0.056 0.000 0.970 322 L HN 0.738 nan 8.230 nan 0.000 0.457 323 Q N 0.769 120.640 119.800 0.118 0.000 2.329 323 Q HA 0.099 4.439 4.340 -0.000 0.000 0.208 323 Q C 1.251 177.217 176.000 -0.056 0.000 0.934 323 Q CA 0.445 56.294 55.803 0.078 0.000 0.951 323 Q CB 0.177 29.027 28.738 0.186 0.000 1.017 323 Q HN 0.621 nan 8.270 nan 0.000 0.490 324 L N 0.011 121.096 121.223 -0.230 0.000 2.731 324 L HA 0.320 4.660 4.340 -0.000 0.000 0.240 324 L C 0.832 177.618 176.870 -0.139 0.000 1.120 324 L CA -0.124 54.573 54.840 -0.237 0.000 0.913 324 L CB 0.364 42.164 42.059 -0.431 0.000 1.213 324 L HN 0.099 nan 8.230 nan 0.000 0.515 339 V N 1.849 121.766 119.914 0.005 0.000 2.626 339 V HA -0.210 3.910 4.120 -0.000 0.000 0.252 339 V C 2.411 178.505 176.094 0.001 0.000 1.067 339 V CA 2.148 64.451 62.300 0.006 0.000 1.081 339 V CB -0.350 31.483 31.823 0.016 0.000 0.686 339 V HN 0.391 nan 8.190 nan 0.000 0.468 340 S N 0.624 116.325 115.700 0.002 0.000 2.359 340 S HA -0.287 4.183 4.470 -0.000 0.000 0.224 340 S C 1.794 176.390 174.600 -0.006 0.000 1.035 340 S CA 1.699 59.899 58.200 -0.000 0.000 1.018 340 S CB -0.467 62.734 63.200 0.003 0.000 0.876 340 S HN 0.594 nan 8.310 nan 0.000 0.448 341 E N 1.668 121.863 120.200 -0.007 0.000 2.038 341 E HA -0.008 4.342 4.350 -0.000 0.000 0.195 341 E C 2.043 178.632 176.600 -0.018 0.000 1.000 341 E CA 1.450 57.843 56.400 -0.012 0.000 0.803 341 E CB -0.628 29.065 29.700 -0.012 0.000 0.750 341 E HN 0.584 nan 8.360 nan 0.000 0.448 342 I N 0.316 120.874 120.570 -0.020 0.000 2.151 342 I HA -0.358 3.812 4.170 -0.000 0.000 0.243 342 I C 2.497 178.597 176.117 -0.029 0.000 1.080 342 I CA 1.366 62.649 61.300 -0.029 0.000 1.339 342 I CB -0.428 37.555 38.000 -0.028 0.000 1.039 342 I HN 0.104 nan 8.210 nan 0.000 0.409 343 S N 0.389 116.077 115.700 -0.020 0.000 2.353 343 S HA -0.249 4.221 4.470 -0.000 0.000 0.222 343 S C 2.282 176.868 174.600 -0.022 0.000 1.035 343 S CA 1.563 59.751 58.200 -0.020 0.000 1.025 343 S CB -0.284 62.908 63.200 -0.014 0.000 0.902 343 S HN 0.311 nan 8.310 nan 0.000 0.440 344 R N 0.282 120.771 120.500 -0.018 0.000 2.081 344 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 344 R C 2.550 178.836 176.300 -0.022 0.000 1.131 344 R CA 1.721 57.811 56.100 -0.017 0.000 0.960 344 R CB -0.819 29.474 30.300 -0.013 0.000 0.856 344 R HN 0.458 nan 8.270 nan 0.000 0.436 345 S N 0.275 115.959 115.700 -0.027 0.000 2.423 345 S HA -0.025 4.445 4.470 -0.000 0.000 0.231 345 S C 1.924 176.500 174.600 -0.040 0.000 1.014 345 S CA 0.699 58.880 58.200 -0.033 0.000 0.965 345 S CB -0.053 63.124 63.200 -0.038 0.000 0.785 345 S HN 0.338 nan 8.310 nan 0.000 0.495 346 L N 0.595 121.793 121.223 -0.041 0.000 2.109 346 L HA 0.012 4.352 4.340 -0.000 0.000 0.207 346 L C 2.574 179.424 176.870 -0.033 0.000 1.086 346 L CA 1.163 55.976 54.840 -0.045 0.000 0.760 346 L CB -0.406 41.626 42.059 -0.044 0.000 0.910 346 L HN 0.229 nan 8.230 nan 0.000 0.437 347 K N 0.895 121.278 120.400 -0.028 0.000 2.097 347 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 347 K C 2.022 178.610 176.600 -0.020 0.000 1.049 347 K CA 1.530 57.803 56.287 -0.023 0.000 0.933 347 K CB -0.294 32.194 32.500 -0.021 0.000 0.717 347 K HN 0.201 nan 8.250 nan 0.000 0.442 348 A N 0.576 123.383 122.820 -0.021 0.000 1.902 348 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 348 A C 2.106 179.678 177.584 -0.019 0.000 1.181 348 A CA 1.611 53.637 52.037 -0.019 0.000 0.623 348 A CB -0.726 18.261 19.000 -0.021 0.000 0.818 348 A HN 0.374 nan 8.150 nan 0.000 0.443 349 L N -0.271 120.938 121.223 -0.024 0.000 2.046 349 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 349 L C 2.621 179.485 176.870 -0.010 0.000 1.077 349 L CA 2.177 57.004 54.840 -0.023 0.000 0.747 349 L CB -0.760 41.276 42.059 -0.039 0.000 0.896 349 L HN 0.331 nan 8.230 nan 0.000 0.432 350 A N -0.352 122.462 122.820 -0.010 0.000 1.877 350 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 350 A C 2.564 180.148 177.584 0.000 0.000 1.186 350 A CA 1.842 53.879 52.037 -0.000 0.000 0.620 350 A CB -0.660 18.337 19.000 -0.005 0.000 0.822 350 A HN 0.497 nan 8.150 nan 0.000 0.443 351 R N -0.526 119.971 120.500 -0.005 0.000 2.148 351 R HA -0.091 4.248 4.340 -0.000 0.000 0.223 351 R C 2.118 178.416 176.300 -0.003 0.000 1.088 351 R CA 1.406 57.504 56.100 -0.004 0.000 0.985 351 R CB -0.147 30.148 30.300 -0.007 0.000 0.880 351 R HN 0.749 nan 8.270 nan 0.000 0.451 352 E N -0.083 120.115 120.200 -0.005 0.000 2.051 352 E HA -0.137 4.213 4.350 -0.000 0.000 0.189 352 E C 1.030 177.630 176.600 -0.001 0.000 0.979 352 E CA 0.791 57.188 56.400 -0.005 0.000 0.803 352 E CB 0.191 29.886 29.700 -0.008 0.000 0.761 352 E HN 0.215 nan 8.360 nan 0.000 0.451 353 L N 1.358 122.583 121.223 0.003 0.000 2.591 353 L HA 0.090 4.430 4.340 -0.000 0.000 0.228 353 L C -0.083 176.794 176.870 0.011 0.000 1.133 353 L CA 0.650 55.494 54.840 0.007 0.000 0.880 353 L CB -0.168 41.898 42.059 0.013 0.000 1.033 353 L HN 0.082 nan 8.230 nan 0.000 0.450 354 E N -0.989 119.217 120.200 0.010 0.000 2.269 354 E HA -0.200 4.150 4.350 -0.000 0.000 0.223 354 E C -0.506 176.106 176.600 0.021 0.000 1.244 354 E CA 0.026 56.434 56.400 0.013 0.000 0.713 354 E CB -1.457 28.250 29.700 0.011 0.000 1.178 354 E HN 0.150 nan 8.360 nan 0.000 0.370 355 V N 0.426 120.356 119.914 0.026 0.000 2.932 355 V HA 0.396 4.516 4.120 -0.000 0.000 0.307 355 V C -2.139 173.983 176.094 0.047 0.000 1.147 355 V CA -1.794 60.530 62.300 0.041 0.000 0.951 355 V CB 2.482 34.331 31.823 0.043 0.000 1.031 355 V HN 0.020 nan 8.190 nan 0.000 0.426 356 P HA 0.241 nan 4.420 nan 0.000 0.271 356 P C -1.068 176.281 177.300 0.082 0.000 1.216 356 P CA 0.026 63.168 63.100 0.071 0.000 0.776 356 P CB 1.238 33.019 31.700 0.135 0.000 0.881 357 V N 5.544 125.488 119.914 0.049 0.000 2.376 357 V HA 0.328 4.448 4.120 -0.000 0.000 0.287 357 V C 0.386 176.510 176.094 0.051 0.000 1.015 357 V CA -0.658 61.679 62.300 0.060 0.000 0.834 357 V CB 1.623 33.465 31.823 0.030 0.000 1.001 357 V HN 0.517 nan 8.190 nan 0.000 0.428 358 I N 4.800 125.432 120.570 0.104 0.000 2.312 358 I HA 0.783 4.953 4.170 -0.000 0.000 0.290 358 I C 0.233 176.413 176.117 0.106 0.000 1.008 358 I CA -0.278 61.086 61.300 0.107 0.000 1.226 358 I CB 0.971 39.096 38.000 0.208 0.000 1.371 358 I HN 0.697 nan 8.210 nan 0.000 0.468 359 A N 8.460 131.320 122.820 0.066 0.000 2.304 359 A HA 0.645 4.965 4.320 -0.000 0.000 0.314 359 A C -0.699 176.930 177.584 0.076 0.000 1.187 359 A CA -0.668 51.412 52.037 0.071 0.000 0.810 359 A CB 0.828 19.848 19.000 0.033 0.000 1.183 359 A HN 0.776 nan 8.150 nan 0.000 0.487 360 L N 2.050 123.347 121.223 0.125 0.000 2.439 360 L HA 0.574 4.914 4.340 -0.000 0.000 0.261 360 L C 0.794 177.735 176.870 0.119 0.000 1.153 360 L CA -0.147 54.763 54.840 0.117 0.000 0.808 360 L CB 1.418 43.574 42.059 0.162 0.000 1.126 360 L HN 0.875 nan 8.230 nan 0.000 0.460 361 S N 0.568 116.294 115.700 0.043 0.000 2.588 361 S HA 0.463 4.933 4.470 -0.000 0.000 0.275 361 S C -1.063 173.502 174.600 -0.058 0.000 1.130 361 S CA -0.967 57.257 58.200 0.040 0.000 0.855 361 S CB 2.115 65.333 63.200 0.030 0.000 1.116 361 S HN 0.609 nan 8.310 nan 0.000 0.472 362 Q N 0.968 120.718 119.800 -0.084 0.000 2.245 362 Q HA 0.649 4.989 4.340 -0.000 0.000 0.256 362 Q C -0.977 175.005 176.000 -0.029 0.000 0.942 362 Q CA -0.795 54.928 55.803 -0.134 0.000 0.896 362 Q CB 1.183 29.774 28.738 -0.244 0.000 1.272 362 Q HN 0.745 nan 8.270 nan 0.000 0.442 390 A N 0.950 123.752 122.820 -0.030 0.000 2.354 390 A HA 0.386 4.706 4.320 -0.000 0.000 0.269 390 A C 0.870 178.424 177.584 -0.052 0.000 1.109 390 A CA 0.165 52.173 52.037 -0.047 0.000 0.800 390 A CB 0.842 19.806 19.000 -0.061 0.000 1.045 390 A HN 0.244 nan 8.150 nan 0.000 0.489 391 D N 1.102 121.464 120.400 -0.063 0.000 2.144 391 D HA 0.071 4.711 4.640 -0.000 0.000 0.207 391 D C 0.104 176.353 176.300 -0.084 0.000 0.970 391 D CA 1.268 55.229 54.000 -0.065 0.000 0.853 391 D CB 0.187 40.946 40.800 -0.068 0.000 1.007 391 D HN 0.560 nan 8.370 nan 0.000 0.469 392 I N 1.029 121.529 120.570 -0.117 0.000 2.533 392 I HA 0.218 4.388 4.170 -0.000 0.000 0.290 392 I C -0.887 175.132 176.117 -0.163 0.000 1.056 392 I CA -0.825 60.391 61.300 -0.140 0.000 1.057 392 I CB 2.816 40.699 38.000 -0.195 0.000 1.240 392 I HN -0.345 nan 8.210 nan 0.000 0.423 393 V N 4.988 124.799 119.914 -0.171 0.000 2.409 393 V HA 0.769 4.889 4.120 -0.000 0.000 0.291 393 V C -0.073 175.827 176.094 -0.323 0.000 1.020 393 V CA -0.466 61.670 62.300 -0.274 0.000 0.848 393 V CB 1.560 33.221 31.823 -0.271 0.000 0.990 393 V HN 0.823 nan 8.190 nan 0.000 0.430 394 A N 5.292 127.866 122.820 -0.411 0.000 2.457 394 A HA 0.834 5.154 4.320 -0.000 0.000 0.283 394 A C -0.841 176.495 177.584 -0.412 0.000 1.166 394 A CA -0.393 51.453 52.037 -0.318 0.000 0.740 394 A CB 0.463 19.360 19.000 -0.171 0.000 1.181 394 A HN 0.567 nan 8.150 nan 0.000 0.446 395 F N 1.213 121.089 119.950 -0.123 0.000 2.368 395 F HA 0.657 5.184 4.527 -0.000 0.000 0.308 395 F C 0.698 176.371 175.800 -0.212 0.000 1.198 395 F CA -0.212 57.702 58.000 -0.144 0.000 1.130 395 F CB 0.714 39.651 39.000 -0.107 0.000 1.300 395 F HN 0.364 nan 8.300 nan 0.000 0.537 412 I N 4.210 124.857 120.570 0.128 0.000 2.562 412 I HA 0.419 4.589 4.170 -0.000 0.000 0.301 412 I C -0.015 176.106 176.117 0.006 0.000 1.003 412 I CA -0.540 60.803 61.300 0.072 0.000 1.127 412 I CB 2.277 40.352 38.000 0.126 0.000 1.304 412 I HN 0.565 nan 8.210 nan 0.000 0.446 413 E N 6.069 126.247 120.200 -0.037 0.000 2.156 413 E HA 0.454 4.804 4.350 -0.000 0.000 0.279 413 E C -1.163 175.373 176.600 -0.106 0.000 0.965 413 E CA -0.604 55.764 56.400 -0.054 0.000 0.789 413 E CB 1.205 30.885 29.700 -0.033 0.000 1.098 413 E HN 0.461 nan 8.360 nan 0.000 0.397 414 I N 6.843 127.341 120.570 -0.119 0.000 2.307 414 I HA 0.246 4.416 4.170 -0.000 0.000 0.287 414 I C -0.261 175.819 176.117 -0.063 0.000 1.054 414 I CA -0.474 60.734 61.300 -0.154 0.000 1.218 414 I CB 0.454 38.335 38.000 -0.199 0.000 1.398 414 I HN 0.427 nan 8.210 nan 0.000 0.475 415 I N 7.200 127.759 120.570 -0.017 0.000 2.365 415 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 415 I C 0.171 176.332 176.117 0.074 0.000 1.004 415 I CA -0.608 60.718 61.300 0.044 0.000 1.311 415 I CB 1.076 39.123 38.000 0.078 0.000 1.401 415 I HN 0.513 nan 8.210 nan 0.000 0.491 416 I N 3.058 123.657 120.570 0.048 0.000 2.377 416 I HA 0.688 4.858 4.170 -0.000 0.000 0.293 416 I C 0.526 176.681 176.117 0.063 0.000 0.987 416 I CA -0.228 61.087 61.300 0.024 0.000 1.185 416 I CB 2.027 40.020 38.000 -0.012 0.000 1.341 416 I HN 0.655 nan 8.210 nan 0.000 0.455 417 A N 5.785 128.651 122.820 0.076 0.000 2.140 417 A HA 0.310 4.630 4.320 -0.000 0.000 0.209 417 A C 0.791 178.400 177.584 0.042 0.000 1.181 417 A CA 0.275 52.381 52.037 0.114 0.000 0.824 417 A CB 0.238 19.411 19.000 0.289 0.000 0.879 417 A HN 0.751 nan 8.150 nan 0.000 0.480 418 K N 0.010 120.405 120.400 -0.009 0.000 2.535 418 K HA 0.488 4.808 4.320 -0.000 0.000 0.251 418 K C -1.820 174.753 176.600 -0.045 0.000 0.942 418 K CA -0.383 55.890 56.287 -0.023 0.000 0.798 418 K CB 1.467 33.949 32.500 -0.030 0.000 1.267 418 K HN 0.228 nan 8.250 nan 0.000 0.434 419 Q N 3.637 123.417 119.800 -0.033 0.000 2.280 419 Q HA 0.243 4.583 4.340 -0.000 0.000 0.259 419 Q C -0.067 175.917 176.000 -0.026 0.000 0.964 419 Q CA -0.444 55.335 55.803 -0.039 0.000 0.844 419 Q CB 1.466 30.183 28.738 -0.034 0.000 1.334 419 Q HN 0.715 nan 8.270 nan 0.000 0.423 420 R N 1.148 121.630 120.500 -0.029 0.000 2.091 420 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 420 R C 1.267 177.562 176.300 -0.008 0.000 1.136 420 R CA 2.244 58.333 56.100 -0.018 0.000 0.959 420 R CB 0.167 30.455 30.300 -0.021 0.000 0.856 420 R HN 0.649 nan 8.270 nan 0.000 0.437 421 N N -1.096 117.599 118.700 -0.008 0.000 2.360 421 N HA 0.007 4.747 4.740 -0.000 0.000 0.211 421 N C 0.764 176.276 175.510 0.003 0.000 1.147 421 N CA 0.471 53.521 53.050 0.002 0.000 0.866 421 N CB -0.189 38.301 38.487 0.005 0.000 1.206 421 N HN 0.046 nan 8.380 nan 0.000 0.478 422 G N 1.348 110.147 108.800 -0.002 0.000 2.588 422 G HA2 0.492 4.452 3.960 -0.000 0.000 0.281 422 G HA3 0.492 4.452 3.960 -0.000 0.000 0.281 422 G C -2.787 172.113 174.900 0.001 0.000 1.236 422 G CA -0.970 44.131 45.100 0.002 0.000 0.969 422 G HN 0.076 nan 8.290 nan 0.000 0.504 423 P HA 0.284 nan 4.420 nan 0.000 0.281 423 P C -0.451 176.851 177.300 0.003 0.000 1.252 423 P CA -0.462 62.639 63.100 0.001 0.000 0.778 423 P CB 1.476 33.175 31.700 -0.001 0.000 0.895 424 V N 3.811 123.727 119.914 0.004 0.000 2.368 424 V HA 0.660 4.780 4.120 -0.000 0.000 0.266 424 V C 0.992 177.091 176.094 0.009 0.000 1.045 424 V CA 0.512 62.816 62.300 0.007 0.000 0.899 424 V CB 0.200 32.028 31.823 0.008 0.000 1.006 424 V HN 0.906 nan 8.190 nan 0.000 0.470 425 G N 3.694 112.501 108.800 0.011 0.000 2.753 425 G HA2 0.652 4.612 3.960 -0.000 0.000 0.303 425 G HA3 0.652 4.612 3.960 -0.000 0.000 0.303 425 G C -0.977 173.930 174.900 0.013 0.000 1.242 425 G CA -0.384 44.722 45.100 0.011 0.000 0.810 425 G HN 0.427 nan 8.290 nan 0.000 0.515 426 T N -0.043 114.517 114.554 0.010 0.000 2.881 426 T HA 0.642 4.992 4.350 -0.000 0.000 0.290 426 T C -0.623 174.081 174.700 0.007 0.000 1.000 426 T CA -0.293 61.811 62.100 0.006 0.000 0.978 426 T CB 1.896 70.765 68.868 0.002 0.000 0.997 426 T HN 0.448 nan 8.240 nan 0.000 0.443 427 V N 2.409 122.324 119.914 0.001 0.000 2.994 427 V HA 0.634 4.754 4.120 -0.000 0.000 0.318 427 V C -0.402 175.687 176.094 -0.008 0.000 1.085 427 V CA -0.818 61.486 62.300 0.007 0.000 0.998 427 V CB 2.105 33.939 31.823 0.017 0.000 1.063 427 V HN 0.831 nan 8.190 nan 0.000 0.447 428 Q N 1.540 121.344 119.800 0.007 0.000 2.285 428 Q HA 0.712 5.052 4.340 -0.000 0.000 0.269 428 Q C -1.987 174.034 176.000 0.034 0.000 1.030 428 Q CA -0.412 55.399 55.803 0.013 0.000 0.788 428 Q CB 2.047 30.800 28.738 0.025 0.000 1.266 428 Q HN 0.649 nan 8.270 nan 0.000 0.438 429 L N 1.483 122.733 121.223 0.044 0.000 2.350 429 L HA 0.903 5.243 4.340 -0.000 0.000 0.260 429 L C -0.559 176.439 176.870 0.213 0.000 1.015 429 L CA -1.111 53.795 54.840 0.111 0.000 0.821 429 L CB 2.048 44.126 42.059 0.031 0.000 1.370 429 L HN 0.705 nan 8.230 nan 0.000 0.416 430 A N 1.087 124.061 122.820 0.257 0.000 2.264 430 A HA 0.747 5.067 4.320 -0.000 0.000 0.304 430 A C -1.344 176.464 177.584 0.373 0.000 1.100 430 A CA -0.178 52.013 52.037 0.257 0.000 0.839 430 A CB 1.016 20.115 19.000 0.166 0.000 1.121 430 A HN 0.527 nan 8.150 nan 0.000 0.496 431 F N 0.942 120.919 119.950 0.044 0.000 2.585 431 F HA 0.573 5.100 4.527 -0.000 0.000 0.319 431 F C -1.071 174.642 175.800 -0.144 0.000 1.165 431 F CA -0.790 57.100 58.000 -0.183 0.000 0.949 431 F CB 1.206 40.001 39.000 -0.343 0.000 1.218 431 F HN 0.425 nan 8.300 nan 0.000 0.453 432 I N 7.757 127.879 120.570 -0.748 0.000 2.312 432 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 432 I C 0.844 176.332 176.117 -1.048 0.000 1.031 432 I CA -0.691 60.229 61.300 -0.634 0.000 1.293 432 I CB 1.183 38.989 38.000 -0.325 0.000 1.403 432 I HN 0.572 nan 8.210 nan 0.000 0.484 433 K N 5.682 125.671 120.400 -0.685 0.000 2.057 433 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 433 K C 1.524 177.893 176.600 -0.384 0.000 1.049 433 K CA 1.605 57.621 56.287 -0.453 0.000 0.931 433 K CB -0.268 32.144 32.500 -0.148 0.000 0.714 433 K HN 0.761 nan 8.250 nan 0.000 0.440 434 E N -0.333 119.595 120.200 -0.454 0.000 2.347 434 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 434 E C 0.810 177.178 176.600 -0.386 0.000 1.008 434 E CA 0.901 57.034 56.400 -0.445 0.000 0.852 434 E CB -0.176 29.191 29.700 -0.554 0.000 0.783 434 E HN 0.337 nan 8.360 nan 0.000 0.505 435 Y N 0.225 120.391 120.300 -0.223 0.000 2.481 435 Y HA 0.282 4.832 4.550 -0.000 0.000 0.247 435 Y C 0.186 175.975 175.900 -0.186 0.000 1.151 435 Y CA -0.978 57.015 58.100 -0.178 0.000 1.238 435 Y CB 0.179 38.543 38.460 -0.161 0.000 1.179 435 Y HN -0.094 nan 8.280 nan 0.000 0.524 436 N N 1.397 119.983 118.700 -0.190 0.000 2.727 436 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 436 N C -0.141 175.329 175.510 -0.066 0.000 1.048 436 N CA 0.930 53.908 53.050 -0.119 0.000 0.714 436 N CB -0.681 37.863 38.487 0.094 0.000 0.959 436 N HN 0.458 nan 8.380 nan 0.000 0.544 437 K N 0.014 120.243 120.400 -0.286 0.000 2.259 437 K HA 0.483 4.803 4.320 -0.000 0.000 0.252 437 K C -0.785 175.747 176.600 -0.112 0.000 0.936 437 K CA -0.471 55.783 56.287 -0.056 0.000 0.810 437 K CB 0.933 33.449 32.500 0.027 0.000 1.143 437 K HN -0.097 nan 8.250 nan 0.000 0.427 438 F N 2.466 122.617 119.950 0.336 0.000 2.421 438 F HA 0.439 4.966 4.527 -0.000 0.000 0.337 438 F C -0.097 175.950 175.800 0.411 0.000 1.105 438 F CA -0.601 57.624 58.000 0.375 0.000 1.049 438 F CB 1.792 40.982 39.000 0.317 0.000 1.139 438 F HN 0.064 nan 8.300 nan 0.000 0.479 439 V N 2.147 122.356 119.914 0.492 0.000 3.130 439 V HA 0.370 4.490 4.120 -0.000 0.000 0.310 439 V C -0.360 175.939 176.094 0.342 0.000 1.158 439 V CA -1.295 61.234 62.300 0.381 0.000 1.029 439 V CB 2.098 34.045 31.823 0.207 0.000 1.057 439 V HN 0.618 nan 8.190 nan 0.000 0.436 440 N N 0.577 119.449 118.700 0.288 0.000 2.317 440 N HA 0.431 5.170 4.740 -0.000 0.000 0.245 440 N C -0.434 175.165 175.510 0.148 0.000 1.294 440 N CA -0.330 52.851 53.050 0.219 0.000 0.924 440 N CB 0.457 39.051 38.487 0.178 0.000 1.186 440 N HN 0.350 nan 8.380 nan 0.000 0.495 441 L N 0.000 121.293 121.223 0.117 0.000 2.949 441 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 441 L CA 0.000 54.892 54.840 0.087 0.000 0.813 441 L CB 0.000 42.104 42.059 0.075 0.000 0.961 441 L HN 0.000 nan 8.230 nan 0.000 0.502