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 3ih8_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRHPIPDYLA SLVTELGAVN PGETAQYIPV LAEADPDRFG IALATPTGRL DATA SEQUENCE HCAGDADVEF TIQSASKPFT YAAALVDRGF AAVDRQVGLN PSGEAFNELS DATA SEQUENCE LEAESHRPDN AMINAGALAV HQLLVGPEAS RKERLDRAVE IMSLLAGRRL DATA SEQUENCE SVDWETYESE MAVSDRNLSL AHMLRSYGVL QDSAEEIVAG YVAQCAVLVT DATA SEQUENCE VKDLAVMGAC LATGGIHPMT GERMLPSIVA RRVVSVMTSS GMYDAAGQWL DATA SEQUENCE ADVGIPAKSG VAGGVLGALP GRVGIGVFSP RLDEVGNSAR GVLACRRLSE DATA SEQUENCE DFRLHLMDGD SLGGTAVRFV EREGDRVFLH LQGVIRFGGA EAVLDALTDL DATA SEQUENCE RTGXXXXXXX XXXXXXXXXX XXXXXXXXXX AATGGGAVHE AAAAXXXXXX DATA SEQUENCE XGPIRTVVLN LARVDRIDDV GRRLIAEGVR RLQADGVRVE VEDPE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.313 176.300 0.021 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.010 0.000 1.302 2 R N 0.481 120.996 120.500 0.024 0.000 2.604 2 R HA 0.540 4.880 4.340 -0.000 0.000 0.287 2 R C -0.848 175.483 176.300 0.051 0.000 0.970 2 R CA -0.743 55.389 56.100 0.054 0.000 0.946 2 R CB 1.097 31.430 30.300 0.054 0.000 1.127 2 R HN 0.790 nan 8.270 nan 0.000 0.473 3 H N 3.991 123.073 119.070 0.019 0.000 2.886 3 H HA 0.059 4.615 4.556 -0.000 0.000 0.329 3 H C -1.501 173.803 175.328 -0.040 0.000 1.044 3 H CA -1.537 54.503 56.048 -0.013 0.000 1.456 3 H CB 1.637 31.395 29.762 -0.006 0.000 1.464 3 H HN 0.555 nan 8.280 nan 0.000 0.573 4 P HA -0.115 nan 4.420 nan 0.000 0.219 4 P C 1.791 179.185 177.300 0.158 0.000 1.150 4 P CA 0.840 63.980 63.100 0.068 0.000 0.814 4 P CB 0.529 32.228 31.700 -0.002 0.000 0.787 5 I N 1.765 122.449 120.570 0.190 0.000 2.127 5 I HA -0.158 4.012 4.170 -0.000 0.000 0.241 5 I C -0.236 175.946 176.117 0.108 0.000 1.075 5 I CA 1.965 63.315 61.300 0.083 0.000 1.334 5 I CB -2.218 35.600 38.000 -0.303 0.000 1.040 5 I HN 0.043 nan 8.210 nan 0.000 0.405 6 P HA -0.164 nan 4.420 nan 0.000 0.219 6 P C 0.777 178.135 177.300 0.098 0.000 1.146 6 P CA 1.567 64.716 63.100 0.082 0.000 0.808 6 P CB -0.109 31.648 31.700 0.095 0.000 0.779 7 D N -0.978 119.487 120.400 0.108 0.000 2.103 7 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 7 D C 2.009 178.363 176.300 0.090 0.000 0.978 7 D CA 0.981 55.032 54.000 0.085 0.000 0.829 7 D CB -1.081 39.770 40.800 0.084 0.000 0.981 7 D HN 0.183 nan 8.370 nan 0.000 0.464 8 Y N 1.828 122.164 120.300 0.060 0.000 2.193 8 Y HA -0.217 4.333 4.550 -0.000 0.000 0.285 8 Y C 2.141 178.056 175.900 0.025 0.000 1.166 8 Y CA 1.380 59.511 58.100 0.052 0.000 1.181 8 Y CB -0.382 38.159 38.460 0.136 0.000 0.976 8 Y HN -0.080 nan 8.280 nan 0.000 0.520 9 L N -0.226 121.045 121.223 0.079 0.000 1.994 9 L HA -0.222 4.117 4.340 -0.000 0.000 0.208 9 L C 2.890 179.668 176.870 -0.152 0.000 1.071 9 L CA 1.236 56.058 54.840 -0.030 0.000 0.745 9 L CB -1.255 40.862 42.059 0.097 0.000 0.892 9 L HN 0.344 nan 8.230 nan 0.000 0.431 10 A N -0.577 122.193 122.820 -0.084 0.000 1.917 10 A HA -0.294 4.025 4.320 -0.000 0.000 0.219 10 A C 2.555 180.064 177.584 -0.125 0.000 1.182 10 A CA 2.315 54.300 52.037 -0.088 0.000 0.633 10 A CB -0.856 18.122 19.000 -0.036 0.000 0.819 10 A HN 0.413 nan 8.150 nan 0.000 0.448 11 S N -0.626 114.975 115.700 -0.165 0.000 2.359 11 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 11 S C 1.956 176.415 174.600 -0.235 0.000 1.035 11 S CA 1.556 59.640 58.200 -0.193 0.000 1.018 11 S CB -0.485 62.569 63.200 -0.243 0.000 0.876 11 S HN 0.504 nan 8.310 nan 0.000 0.448 12 L N 0.976 121.977 121.223 -0.370 0.000 2.012 12 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 12 L C 2.500 179.317 176.870 -0.089 0.000 1.073 12 L CA 1.405 56.079 54.840 -0.277 0.000 0.748 12 L CB -0.645 41.220 42.059 -0.324 0.000 0.891 12 L HN 0.257 nan 8.230 nan 0.000 0.431 13 V N -0.583 119.229 119.914 -0.170 0.000 2.392 13 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 13 V C 2.492 178.646 176.094 0.100 0.000 1.059 13 V CA 2.362 64.570 62.300 -0.154 0.000 1.051 13 V CB -0.772 30.878 31.823 -0.289 0.000 0.658 13 V HN 0.511 nan 8.190 nan 0.000 0.455 14 T N -0.914 113.646 114.554 0.009 0.000 2.732 14 T HA -0.181 4.169 4.350 -0.000 0.000 0.261 14 T C 1.876 176.595 174.700 0.031 0.000 1.040 14 T CA 1.599 63.713 62.100 0.023 0.000 1.145 14 T CB -0.142 68.717 68.868 -0.014 0.000 0.866 14 T HN 0.597 nan 8.240 nan 0.000 0.427 15 E N 0.681 120.883 120.200 0.003 0.000 2.038 15 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 15 E C 2.136 178.756 176.600 0.033 0.000 1.000 15 E CA 1.020 57.419 56.400 -0.000 0.000 0.803 15 E CB -0.170 29.509 29.700 -0.034 0.000 0.750 15 E HN 0.398 nan 8.360 nan 0.000 0.448 16 L N -0.285 120.996 121.223 0.097 0.000 2.217 16 L HA -0.011 4.329 4.340 -0.000 0.000 0.211 16 L C 2.457 179.340 176.870 0.021 0.000 1.107 16 L CA 0.802 55.699 54.840 0.096 0.000 0.783 16 L CB -0.341 41.862 42.059 0.241 0.000 0.919 16 L HN 0.257 nan 8.230 nan 0.000 0.442 17 G N -0.473 108.419 108.800 0.153 0.000 2.679 17 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.212 17 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.212 17 G C 1.747 176.647 174.900 -0.000 0.000 1.137 17 G CA 0.637 45.787 45.100 0.082 0.000 0.787 17 G HN 0.416 nan 8.290 nan 0.000 0.534 18 A N -0.023 122.796 122.820 -0.002 0.000 1.917 18 A HA 0.215 4.535 4.320 -0.000 0.000 0.219 18 A C 1.486 179.047 177.584 -0.038 0.000 1.182 18 A CA 1.763 53.791 52.037 -0.016 0.000 0.633 18 A CB -0.560 18.432 19.000 -0.014 0.000 0.819 18 A HN 0.871 nan 8.150 nan 0.000 0.448 19 V N -4.567 115.309 119.914 -0.063 0.000 3.166 19 V HA 0.776 4.896 4.120 -0.000 0.000 0.317 19 V C -0.412 175.608 176.094 -0.124 0.000 1.136 19 V CA -0.922 61.331 62.300 -0.078 0.000 1.035 19 V CB 1.812 33.594 31.823 -0.067 0.000 1.110 19 V HN 0.213 nan 8.190 nan 0.000 0.450 20 N N 1.655 120.286 118.700 -0.116 0.000 2.679 20 N HA 0.390 5.130 4.740 -0.000 0.000 0.240 20 N C -2.680 172.762 175.510 -0.114 0.000 1.537 20 N CA -0.759 52.202 53.050 -0.147 0.000 0.793 20 N CB 0.788 39.193 38.487 -0.138 0.000 1.391 20 N HN 0.795 nan 8.380 nan 0.000 0.524 21 P HA 0.457 nan 4.420 nan 0.000 0.272 21 P C 0.721 177.976 177.300 -0.075 0.000 1.240 21 P CA 0.489 63.544 63.100 -0.075 0.000 0.791 21 P CB 0.648 32.310 31.700 -0.063 0.000 0.978 22 G N 0.555 109.322 108.800 -0.054 0.000 2.568 22 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.222 22 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.222 22 G C -1.016 173.857 174.900 -0.046 0.000 1.321 22 G CA 0.144 45.216 45.100 -0.047 0.000 0.893 22 G HN 0.976 nan 8.290 nan 0.000 0.569 23 E N -2.055 118.121 120.200 -0.040 0.000 2.407 23 E HA 0.610 4.959 4.350 -0.000 0.000 0.279 23 E C -0.132 176.451 176.600 -0.028 0.000 1.012 23 E CA -0.450 55.929 56.400 -0.035 0.000 0.800 23 E CB 0.979 30.665 29.700 -0.023 0.000 1.276 23 E HN 1.215 nan 8.360 nan 0.000 0.452 24 T N -0.944 113.593 114.554 -0.029 0.000 2.898 24 T HA 0.490 4.840 4.350 -0.000 0.000 0.301 24 T C 0.761 175.458 174.700 -0.005 0.000 1.049 24 T CA -0.335 61.753 62.100 -0.021 0.000 1.095 24 T CB 0.988 69.839 68.868 -0.028 0.000 0.976 24 T HN 0.759 nan 8.240 nan 0.000 0.539 25 A N 2.510 125.338 122.820 0.014 0.000 2.550 25 A HA 0.077 4.397 4.320 -0.000 0.000 0.263 25 A C 1.492 179.047 177.584 -0.049 0.000 1.065 25 A CA -0.301 51.768 52.037 0.053 0.000 0.786 25 A CB -0.187 18.869 19.000 0.093 0.000 0.985 25 A HN 0.840 nan 8.150 nan 0.000 0.518 26 Q N 2.120 121.932 119.800 0.020 0.000 2.354 26 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 26 Q C 1.617 177.603 176.000 -0.022 0.000 0.933 26 Q CA 1.615 57.409 55.803 -0.015 0.000 0.901 26 Q CB -0.349 28.402 28.738 0.020 0.000 1.007 26 Q HN 1.123 nan 8.270 nan 0.000 0.495 27 Y N 1.147 121.445 120.300 -0.004 0.000 2.348 27 Y HA -0.099 4.451 4.550 -0.000 0.000 0.285 27 Y C 0.896 176.794 175.900 -0.004 0.000 1.173 27 Y CA 0.301 58.398 58.100 -0.005 0.000 1.263 27 Y CB -0.488 37.968 38.460 -0.006 0.000 0.974 27 Y HN 0.037 nan 8.280 nan 0.000 0.547 28 I N -3.881 116.359 120.570 -0.550 0.000 2.802 28 I HA 0.400 4.570 4.170 -0.000 0.000 0.298 28 I C -2.202 173.756 176.117 -0.265 0.000 1.176 28 I CA -2.769 58.310 61.300 -0.368 0.000 1.025 28 I CB 2.329 40.061 38.000 -0.447 0.000 1.243 28 I HN -0.405 nan 8.210 nan 0.000 0.424 29 P HA -0.215 nan 4.420 nan 0.000 0.214 29 P C 1.748 178.998 177.300 -0.083 0.000 1.163 29 P CA 1.485 64.532 63.100 -0.088 0.000 0.883 29 P CB 0.366 32.036 31.700 -0.050 0.000 0.788 30 V N -0.288 119.578 119.914 -0.080 0.000 2.453 30 V HA -0.215 3.905 4.120 -0.000 0.000 0.252 30 V C 2.451 178.511 176.094 -0.056 0.000 1.068 30 V CA 1.707 63.977 62.300 -0.050 0.000 1.070 30 V CB -1.009 30.793 31.823 -0.035 0.000 0.664 30 V HN -0.017 nan 8.190 nan 0.000 0.461 31 L N -0.722 120.428 121.223 -0.121 0.000 2.221 31 L HA 0.195 4.535 4.340 -0.000 0.000 0.202 31 L C 2.745 179.562 176.870 -0.087 0.000 1.074 31 L CA 1.031 55.809 54.840 -0.105 0.000 0.795 31 L CB -0.798 41.140 42.059 -0.201 0.000 0.960 31 L HN 0.336 nan 8.230 nan 0.000 0.458 32 A N 0.063 122.811 122.820 -0.121 0.000 1.908 32 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 32 A C 2.029 179.586 177.584 -0.045 0.000 1.181 32 A CA 1.535 53.524 52.037 -0.079 0.000 0.627 32 A CB -0.257 18.694 19.000 -0.081 0.000 0.818 32 A HN 0.357 nan 8.150 nan 0.000 0.445 33 E N -0.036 120.141 120.200 -0.037 0.000 2.474 33 E HA 0.263 4.613 4.350 -0.000 0.000 0.194 33 E C 0.874 177.473 176.600 -0.003 0.000 1.041 33 E CA 0.483 56.873 56.400 -0.018 0.000 0.874 33 E CB -0.417 29.274 29.700 -0.015 0.000 0.914 33 E HN 0.561 nan 8.360 nan 0.000 0.498 34 A N 2.236 125.058 122.820 0.004 0.000 2.555 34 A HA -0.072 4.248 4.320 -0.000 0.000 0.233 34 A C 0.181 177.781 177.584 0.027 0.000 1.060 34 A CA -0.106 51.951 52.037 0.033 0.000 0.759 34 A CB 0.023 19.058 19.000 0.060 0.000 0.995 34 A HN -0.013 nan 8.150 nan 0.000 0.506 35 D N 2.283 122.709 120.400 0.044 0.000 2.382 35 D HA 0.169 4.809 4.640 -0.000 0.000 0.259 35 D C -1.135 175.164 176.300 -0.003 0.000 1.224 35 D CA -1.338 52.677 54.000 0.025 0.000 0.894 35 D CB 0.800 41.626 40.800 0.044 0.000 1.127 35 D HN 0.229 nan 8.370 nan 0.000 0.487 36 P HA -0.022 nan 4.420 nan 0.000 0.236 36 P C -0.026 177.207 177.300 -0.112 0.000 1.177 36 P CA 0.274 63.322 63.100 -0.086 0.000 0.773 36 P CB 0.307 31.963 31.700 -0.073 0.000 0.878 37 D N 0.832 121.192 120.400 -0.067 0.000 2.713 37 D HA 0.151 4.791 4.640 -0.000 0.000 0.229 37 D C -0.192 176.085 176.300 -0.039 0.000 1.136 37 D CA -0.124 53.843 54.000 -0.055 0.000 1.010 37 D CB -0.324 40.461 40.800 -0.024 0.000 1.084 37 D HN 0.007 nan 8.370 nan 0.000 0.495 38 R N 1.230 121.671 120.500 -0.098 0.000 2.698 38 R HA 0.574 4.914 4.340 -0.000 0.000 0.275 38 R C -1.568 174.682 176.300 -0.084 0.000 1.001 38 R CA -0.977 55.078 56.100 -0.075 0.000 0.896 38 R CB 1.860 32.106 30.300 -0.090 0.000 1.218 38 R HN 0.094 nan 8.270 nan 0.000 0.462 39 F N 0.630 120.473 119.950 -0.178 0.000 2.881 39 F HA 0.518 5.045 4.527 -0.000 0.000 0.348 39 F C -1.265 174.526 175.800 -0.016 0.000 1.240 39 F CA -0.669 57.235 58.000 -0.160 0.000 1.130 39 F CB 1.778 40.706 39.000 -0.120 0.000 1.417 39 F HN 0.596 nan 8.300 nan 0.000 0.585 40 G N 5.678 114.492 108.800 0.024 0.000 2.563 40 G HA2 0.778 4.738 3.960 -0.000 0.000 0.302 40 G HA3 0.778 4.738 3.960 -0.000 0.000 0.302 40 G C -1.720 173.133 174.900 -0.078 0.000 1.301 40 G CA -0.788 44.291 45.100 -0.034 0.000 0.965 40 G HN 0.557 nan 8.290 nan 0.000 0.480 41 I N 0.117 120.630 120.570 -0.094 0.000 2.802 41 I HA 0.704 4.874 4.170 -0.000 0.000 0.298 41 I C -0.247 175.899 176.117 0.049 0.000 1.176 41 I CA -1.059 60.229 61.300 -0.021 0.000 1.025 41 I CB 2.502 40.444 38.000 -0.098 0.000 1.243 41 I HN 0.735 nan 8.210 nan 0.000 0.424 42 A N 5.819 128.697 122.820 0.096 0.000 2.549 42 A HA 0.913 5.233 4.320 -0.000 0.000 0.297 42 A C -1.697 175.954 177.584 0.112 0.000 1.061 42 A CA -0.454 51.642 52.037 0.099 0.000 0.690 42 A CB 1.843 20.894 19.000 0.084 0.000 1.287 42 A HN 0.632 nan 8.150 nan 0.000 0.402 43 L N 1.306 122.593 121.223 0.107 0.000 2.406 43 L HA 0.726 5.066 4.340 -0.000 0.000 0.272 43 L C 0.078 176.954 176.870 0.009 0.000 0.980 43 L CA -0.586 54.311 54.840 0.095 0.000 0.831 43 L CB 2.127 44.279 42.059 0.156 0.000 1.253 43 L HN 0.884 nan 8.230 nan 0.000 0.406 44 A N 1.753 124.567 122.820 -0.009 0.000 2.287 44 A HA 0.699 5.019 4.320 -0.000 0.000 0.317 44 A C 0.117 177.665 177.584 -0.060 0.000 1.220 44 A CA -0.485 51.514 52.037 -0.064 0.000 0.835 44 A CB 1.031 20.005 19.000 -0.044 0.000 1.180 44 A HN 0.673 nan 8.150 nan 0.000 0.500 45 T N 0.546 115.040 114.554 -0.100 0.000 2.816 45 T HA 0.467 4.817 4.350 -0.000 0.000 0.282 45 T C -1.878 172.795 174.700 -0.045 0.000 0.993 45 T CA -1.384 60.678 62.100 -0.064 0.000 0.994 45 T CB 0.807 69.632 68.868 -0.072 0.000 1.025 45 T HN 0.235 nan 8.240 nan 0.000 0.529 46 P HA -0.044 nan 4.420 nan 0.000 0.217 46 P C 1.695 178.991 177.300 -0.007 0.000 1.150 46 P CA 1.263 64.355 63.100 -0.012 0.000 0.832 46 P CB -0.292 31.407 31.700 -0.001 0.000 0.787 47 T N -4.574 109.974 114.554 -0.009 0.000 2.962 47 T HA 0.123 4.473 4.350 -0.000 0.000 0.270 47 T C 1.546 176.242 174.700 -0.007 0.000 1.088 47 T CA 1.105 63.204 62.100 -0.002 0.000 1.127 47 T CB -0.820 68.049 68.868 0.002 0.000 0.883 47 T HN 0.256 nan 8.240 nan 0.000 0.493 48 G N 1.048 109.832 108.800 -0.027 0.000 2.155 48 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.130 48 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.130 48 G C -0.079 174.777 174.900 -0.073 0.000 1.027 48 G CA -0.803 44.282 45.100 -0.025 0.000 0.705 48 G HN 0.568 nan 8.290 nan 0.000 0.496 49 R N -0.384 120.031 120.500 -0.140 0.000 2.368 49 R HA 0.679 5.019 4.340 -0.000 0.000 0.302 49 R C -0.867 175.207 176.300 -0.376 0.000 1.002 49 R CA -0.786 55.151 56.100 -0.272 0.000 0.929 49 R CB 1.781 31.863 30.300 -0.363 0.000 1.073 49 R HN 0.144 nan 8.270 nan 0.000 0.464 50 L N 4.108 125.118 121.223 -0.355 0.000 2.353 50 L HA 0.292 4.632 4.340 -0.000 0.000 0.270 50 L C -1.051 175.677 176.870 -0.237 0.000 1.003 50 L CA -0.519 54.167 54.840 -0.256 0.000 0.862 50 L CB 0.559 42.555 42.059 -0.105 0.000 1.221 50 L HN 0.559 nan 8.230 nan 0.000 0.430 51 H N 3.854 122.898 119.070 -0.044 0.000 2.502 51 H HA 0.668 5.224 4.556 -0.000 0.000 0.327 51 H C 0.125 175.461 175.328 0.014 0.000 1.099 51 H CA -0.243 55.786 56.048 -0.032 0.000 1.323 51 H CB 1.318 31.047 29.762 -0.056 0.000 1.450 51 H HN 0.842 nan 8.280 nan 0.000 0.502 52 C N 0.812 120.197 119.300 0.143 0.000 3.316 52 C HA 0.992 5.451 4.460 -0.000 0.000 0.360 52 C C -0.635 174.390 174.990 0.057 0.000 1.560 52 C CA -0.348 58.723 59.018 0.089 0.000 1.229 52 C CB 1.136 28.914 27.740 0.063 0.000 1.823 52 C HN 1.057 nan 8.230 nan 0.000 0.440 53 A N -0.364 122.466 122.820 0.016 0.000 2.544 53 A HA 0.953 5.273 4.320 -0.000 0.000 0.291 53 A C 0.230 177.781 177.584 -0.055 0.000 1.055 53 A CA 0.827 52.852 52.037 -0.019 0.000 0.651 53 A CB 0.043 19.015 19.000 -0.046 0.000 1.296 53 A HN 3.277 nan 8.150 nan 0.000 0.431 54 G N 0.183 108.950 108.800 -0.055 0.000 2.598 54 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.269 54 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.269 54 G C -0.254 174.658 174.900 0.019 0.000 1.289 54 G CA 0.317 45.388 45.100 -0.049 0.000 0.926 54 G HN 1.146 nan 8.290 nan 0.000 0.567 55 D N 1.631 122.071 120.400 0.068 0.000 2.736 55 D HA 0.302 4.942 4.640 -0.000 0.000 0.228 55 D C 1.517 177.941 176.300 0.207 0.000 1.077 55 D CA 0.812 54.908 54.000 0.159 0.000 1.096 55 D CB -0.240 40.705 40.800 0.241 0.000 1.138 55 D HN 0.802 nan 8.370 nan 0.000 0.461 56 A N 0.541 123.437 122.820 0.127 0.000 2.238 56 A HA -0.083 4.237 4.320 -0.000 0.000 0.208 56 A C 1.549 179.203 177.584 0.116 0.000 1.177 56 A CA 0.314 52.429 52.037 0.131 0.000 0.804 56 A CB 0.318 19.365 19.000 0.078 0.000 0.823 56 A HN 0.189 nan 8.150 nan 0.000 0.482 57 D N -0.040 120.422 120.400 0.103 0.000 2.479 57 D HA 0.174 4.814 4.640 -0.000 0.000 0.218 57 D C -0.743 175.590 176.300 0.055 0.000 1.177 57 D CA 0.187 54.223 54.000 0.061 0.000 0.830 57 D CB 0.633 41.458 40.800 0.043 0.000 1.014 57 D HN 0.084 nan 8.370 nan 0.000 0.503 58 V N 1.696 121.672 119.914 0.105 0.000 2.439 58 V HA 0.241 4.360 4.120 -0.000 0.000 0.282 58 V C 0.491 176.578 176.094 -0.012 0.000 1.039 58 V CA -0.594 61.759 62.300 0.090 0.000 0.913 58 V CB 1.669 33.624 31.823 0.220 0.000 0.983 58 V HN 0.017 nan 8.190 nan 0.000 0.460 59 E N 4.099 124.252 120.200 -0.078 0.000 2.349 59 E HA 0.637 4.987 4.350 -0.000 0.000 0.265 59 E C -1.009 175.479 176.600 -0.186 0.000 1.064 59 E CA -0.158 56.100 56.400 -0.237 0.000 0.886 59 E CB 1.338 30.918 29.700 -0.201 0.000 1.036 59 E HN 0.609 nan 8.360 nan 0.000 0.413 60 F N -2.585 117.173 119.950 -0.320 0.000 2.719 60 F HA 0.307 4.834 4.527 -0.000 0.000 0.309 60 F C -0.469 175.224 175.800 -0.179 0.000 1.138 60 F CA -1.384 56.445 58.000 -0.284 0.000 0.943 60 F CB 0.394 39.072 39.000 -0.536 0.000 1.304 60 F HN 0.256 nan 8.300 nan 0.000 0.445 61 T N 0.075 114.664 114.554 0.059 0.000 2.916 61 T HA 0.220 4.570 4.350 -0.000 0.000 0.303 61 T C 0.913 175.672 174.700 0.099 0.000 1.025 61 T CA -0.328 61.765 62.100 -0.013 0.000 1.142 61 T CB 1.189 70.063 68.868 0.009 0.000 0.947 61 T HN 0.876 nan 8.240 nan 0.000 0.544 62 I N 1.200 121.754 120.570 -0.026 0.000 2.546 62 I HA -0.159 4.011 4.170 -0.000 0.000 0.255 62 I C 1.266 177.461 176.117 0.131 0.000 1.163 62 I CA 0.900 62.242 61.300 0.070 0.000 1.457 62 I CB -0.189 37.805 38.000 -0.009 0.000 1.092 62 I HN 0.742 nan 8.210 nan 0.000 0.434 63 Q N -0.096 119.741 119.800 0.062 0.000 1.669 63 Q HA -0.341 3.999 4.340 -0.000 0.000 0.383 63 Q C 1.484 177.525 176.000 0.068 0.000 0.879 63 Q CA 1.934 57.767 55.803 0.050 0.000 0.787 63 Q CB -1.691 27.115 28.738 0.113 0.000 3.896 63 Q HN 0.387 nan 8.270 nan 0.000 0.687 64 S N 0.761 116.530 115.700 0.115 0.000 2.419 64 S HA -0.076 4.394 4.470 -0.000 0.000 0.235 64 S C 1.490 176.163 174.600 0.122 0.000 1.019 64 S CA 1.330 59.615 58.200 0.142 0.000 0.982 64 S CB -0.342 62.948 63.200 0.151 0.000 0.789 64 S HN 0.637 nan 8.310 nan 0.000 0.490 65 A N 1.378 124.280 122.820 0.137 0.000 2.259 65 A HA -0.039 4.281 4.320 -0.000 0.000 0.212 65 A C 2.120 179.846 177.584 0.236 0.000 1.178 65 A CA 1.376 53.508 52.037 0.159 0.000 0.734 65 A CB -0.625 18.504 19.000 0.215 0.000 0.774 65 A HN 0.593 nan 8.150 nan 0.000 0.481 66 S N -0.542 115.284 115.700 0.210 0.000 2.478 66 S HA -0.019 4.451 4.470 -0.000 0.000 0.222 66 S C 1.643 176.381 174.600 0.229 0.000 1.008 66 S CA 0.663 59.037 58.200 0.289 0.000 0.928 66 S CB -0.190 63.106 63.200 0.160 0.000 0.781 66 S HN 0.586 nan 8.310 nan 0.000 0.518 67 K N 2.249 122.729 120.400 0.133 0.000 2.074 67 K HA -0.068 4.252 4.320 -0.000 0.000 0.209 67 K C -0.679 175.917 176.600 -0.006 0.000 1.048 67 K CA 1.798 58.130 56.287 0.074 0.000 0.926 67 K CB -1.147 31.368 32.500 0.025 0.000 0.713 67 K HN 0.461 nan 8.250 nan 0.000 0.444 68 P HA -0.126 nan 4.420 nan 0.000 0.222 68 P C 0.991 178.145 177.300 -0.242 0.000 1.153 68 P CA 1.292 64.249 63.100 -0.237 0.000 0.798 68 P CB -0.000 31.412 31.700 -0.479 0.000 0.796 69 F N 1.016 121.012 119.950 0.078 0.000 2.234 69 F HA -0.073 4.454 4.527 -0.000 0.000 0.296 69 F C 2.565 178.395 175.800 0.050 0.000 1.089 69 F CA 1.673 59.701 58.000 0.048 0.000 1.343 69 F CB -1.621 37.393 39.000 0.024 0.000 1.040 69 F HN -0.071 nan 8.300 nan 0.000 0.498 70 T N -2.268 112.420 114.554 0.224 0.000 2.904 70 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 70 T C 1.759 176.545 174.700 0.144 0.000 1.059 70 T CA 1.021 63.211 62.100 0.149 0.000 1.137 70 T CB -0.876 68.084 68.868 0.153 0.000 0.879 70 T HN 0.255 nan 8.240 nan 0.000 0.467 71 Y N 2.765 123.055 120.300 -0.017 0.000 2.145 71 Y HA 0.123 4.673 4.550 0.000 0.000 0.286 71 Y C 2.759 178.607 175.900 -0.088 0.000 1.145 71 Y CA 0.502 58.564 58.100 -0.064 0.000 1.148 71 Y CB -1.154 37.254 38.460 -0.087 0.000 0.981 71 Y HN 0.278 nan 8.280 nan 0.000 0.507 72 A N 0.267 123.059 122.820 -0.047 0.000 1.902 72 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 72 A C 2.500 180.020 177.584 -0.106 0.000 1.181 72 A CA 2.174 54.127 52.037 -0.139 0.000 0.623 72 A CB -1.450 17.538 19.000 -0.020 0.000 0.818 72 A HN 0.544 nan 8.150 nan 0.000 0.443 73 A N -0.200 122.606 122.820 -0.023 0.000 1.902 73 A HA 0.176 4.495 4.320 -0.000 0.000 0.217 73 A C 2.522 180.068 177.584 -0.063 0.000 1.181 73 A CA 2.103 54.123 52.037 -0.028 0.000 0.623 73 A CB -1.052 17.949 19.000 0.001 0.000 0.818 73 A HN 1.064 nan 8.150 nan 0.000 0.443 74 A N -0.250 122.534 122.820 -0.059 0.000 1.877 74 A HA -0.069 4.250 4.320 -0.000 0.000 0.216 74 A C 2.179 179.677 177.584 -0.144 0.000 1.186 74 A CA 1.545 53.542 52.037 -0.067 0.000 0.620 74 A CB -0.660 18.338 19.000 -0.004 0.000 0.822 74 A HN 0.468 nan 8.150 nan 0.000 0.443 75 L N -0.611 120.448 121.223 -0.273 0.000 2.079 75 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 75 L C 2.525 179.224 176.870 -0.284 0.000 1.081 75 L CA 1.104 55.677 54.840 -0.445 0.000 0.752 75 L CB -0.439 41.148 42.059 -0.787 0.000 0.896 75 L HN 0.264 nan 8.230 nan 0.000 0.433 76 V N -0.481 119.323 119.914 -0.184 0.000 2.379 76 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 76 V C 1.953 178.011 176.094 -0.060 0.000 1.044 76 V CA 1.784 64.029 62.300 -0.093 0.000 1.036 76 V CB -0.454 31.335 31.823 -0.057 0.000 0.664 76 V HN 0.436 nan 8.190 nan 0.000 0.453 77 D N -0.156 120.207 120.400 -0.062 0.000 2.224 77 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 77 D C 2.153 178.433 176.300 -0.033 0.000 0.965 77 D CA 0.853 54.830 54.000 -0.039 0.000 0.852 77 D CB -0.031 40.747 40.800 -0.036 0.000 0.947 77 D HN 0.360 nan 8.370 nan 0.000 0.494 78 R N -0.529 119.942 120.500 -0.048 0.000 2.469 78 R HA 0.358 4.698 4.340 -0.000 0.000 0.250 78 R C 0.969 177.257 176.300 -0.020 0.000 0.909 78 R CA 0.411 56.494 56.100 -0.029 0.000 1.050 78 R CB 0.914 31.199 30.300 -0.025 0.000 1.256 78 R HN 0.096 nan 8.270 nan 0.000 0.550 79 G N 1.133 109.904 108.800 -0.048 0.000 2.712 79 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.686 79 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.686 79 G C 0.259 175.154 174.900 -0.008 0.000 1.321 79 G CA -0.482 44.629 45.100 0.017 0.000 0.813 79 G HN -0.006 nan 8.290 nan 0.000 0.599 80 F N 1.542 121.473 119.950 -0.031 0.000 2.091 80 F HA -0.013 4.513 4.527 -0.000 0.000 0.299 80 F C 3.199 178.999 175.800 -0.001 0.000 1.103 80 F CA 3.148 61.132 58.000 -0.026 0.000 1.228 80 F CB -0.827 38.156 39.000 -0.028 0.000 0.984 80 F HN 0.813 nan 8.300 nan 0.000 0.477 81 A N 0.109 123.044 122.820 0.192 0.000 1.873 81 A HA -0.175 4.144 4.320 -0.000 0.000 0.218 81 A C 2.435 180.064 177.584 0.075 0.000 1.193 81 A CA 2.291 54.395 52.037 0.112 0.000 0.629 81 A CB -1.463 17.586 19.000 0.082 0.000 0.826 81 A HN 0.342 nan 8.150 nan 0.000 0.447 82 A N -0.949 121.903 122.820 0.054 0.000 1.933 82 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 82 A C 2.239 179.843 177.584 0.034 0.000 1.175 82 A CA 1.865 53.923 52.037 0.036 0.000 0.628 82 A CB -0.790 18.223 19.000 0.021 0.000 0.814 82 A HN 0.413 nan 8.150 nan 0.000 0.444 83 V N 0.339 120.265 119.914 0.020 0.000 2.346 83 V HA -0.159 3.961 4.120 -0.000 0.000 0.244 83 V C 1.890 178.030 176.094 0.076 0.000 1.037 83 V CA 2.057 64.376 62.300 0.031 0.000 1.029 83 V CB -0.733 31.069 31.823 -0.034 0.000 0.663 83 V HN 0.453 nan 8.190 nan 0.000 0.454 84 D N -0.233 120.220 120.400 0.088 0.000 2.310 84 D HA -0.120 4.520 4.640 -0.000 0.000 0.212 84 D C 2.208 178.557 176.300 0.082 0.000 0.965 84 D CA 0.600 54.665 54.000 0.107 0.000 0.879 84 D CB -0.296 40.583 40.800 0.132 0.000 0.921 84 D HN 0.248 nan 8.370 nan 0.000 0.510 85 R N 0.338 120.880 120.500 0.070 0.000 2.189 85 R HA -0.056 4.284 4.340 -0.000 0.000 0.218 85 R C 0.956 177.294 176.300 0.064 0.000 1.074 85 R CA 0.896 57.033 56.100 0.060 0.000 0.991 85 R CB 0.295 30.625 30.300 0.050 0.000 0.883 85 R HN 0.148 nan 8.270 nan 0.000 0.457 86 Q N -0.756 119.082 119.800 0.063 0.000 2.353 86 Q HA 0.199 4.539 4.340 -0.000 0.000 0.240 86 Q C -0.114 175.916 176.000 0.049 0.000 0.868 86 Q CA 0.272 56.111 55.803 0.060 0.000 0.944 86 Q CB 1.555 30.325 28.738 0.054 0.000 1.104 86 Q HN 0.027 nan 8.270 nan 0.000 0.531 87 V N 0.775 120.721 119.914 0.054 0.000 2.531 87 V HA 0.670 4.790 4.120 -0.000 0.000 0.301 87 V C 0.458 176.575 176.094 0.039 0.000 1.034 87 V CA -0.773 61.544 62.300 0.027 0.000 0.865 87 V CB 1.463 33.294 31.823 0.013 0.000 0.995 87 V HN 0.194 nan 8.190 nan 0.000 0.424 88 G N 2.716 111.522 108.800 0.010 0.000 2.553 88 G HA2 0.537 4.497 3.960 -0.000 0.000 0.278 88 G HA3 0.537 4.497 3.960 -0.000 0.000 0.278 88 G C 0.056 174.963 174.900 0.013 0.000 1.349 88 G CA -0.425 44.686 45.100 0.019 0.000 1.037 88 G HN 0.673 nan 8.290 nan 0.000 0.508 89 L N 0.079 121.313 121.223 0.019 0.000 3.333 89 L HA 0.271 4.611 4.340 -0.000 0.000 0.299 89 L C -0.174 176.697 176.870 0.001 0.000 1.256 89 L CA -0.358 54.495 54.840 0.022 0.000 1.037 89 L CB 0.216 42.311 42.059 0.059 0.000 1.423 89 L HN 0.256 nan 8.230 nan 0.000 0.605 90 N N 2.640 121.332 118.700 -0.012 0.000 2.434 90 N HA 0.309 5.049 4.740 -0.000 0.000 0.272 90 N C -2.514 172.980 175.510 -0.028 0.000 1.040 90 N CA -1.301 51.740 53.050 -0.015 0.000 0.956 90 N CB 1.113 39.592 38.487 -0.014 0.000 1.108 90 N HN -0.084 nan 8.380 nan 0.000 0.481 91 P HA 0.038 nan 4.420 nan 0.000 0.269 91 P C -0.310 176.984 177.300 -0.010 0.000 1.209 91 P CA 0.090 63.174 63.100 -0.027 0.000 0.776 91 P CB 0.965 32.657 31.700 -0.013 0.000 0.876 92 S N 0.728 116.433 115.700 0.007 0.000 2.587 92 S HA 0.628 5.098 4.470 -0.000 0.000 0.269 92 S C -0.425 174.248 174.600 0.121 0.000 1.154 92 S CA -0.488 57.734 58.200 0.036 0.000 0.824 92 S CB 0.828 64.034 63.200 0.010 0.000 1.118 92 S HN 0.564 nan 8.310 nan 0.000 0.462 93 G N 0.785 109.637 108.800 0.087 0.000 2.562 93 G HA2 0.389 4.348 3.960 -0.000 0.000 0.275 93 G HA3 0.389 4.348 3.960 -0.000 0.000 0.275 93 G C 0.400 175.353 174.900 0.089 0.000 1.196 93 G CA -0.067 45.086 45.100 0.088 0.000 0.908 93 G HN 0.761 nan 8.290 nan 0.000 0.524 94 E N 0.232 120.418 120.200 -0.023 0.000 2.208 94 E HA 0.080 4.430 4.350 -0.000 0.000 0.193 94 E C 1.753 178.359 176.600 0.010 0.000 0.988 94 E CA 0.629 57.021 56.400 -0.013 0.000 0.828 94 E CB -0.375 29.209 29.700 -0.192 0.000 0.763 94 E HN 0.627 nan 8.360 nan 0.000 0.478 95 A N 0.729 123.540 122.820 -0.017 0.000 2.548 95 A HA 0.130 4.450 4.320 -0.000 0.000 0.247 95 A C -0.259 177.359 177.584 0.056 0.000 1.067 95 A CA -0.151 51.892 52.037 0.011 0.000 0.757 95 A CB -0.530 18.457 19.000 -0.021 0.000 0.996 95 A HN 0.340 nan 8.150 nan 0.000 0.504 96 F N 3.700 123.615 119.950 -0.057 0.000 2.427 96 F HA 0.392 4.919 4.527 -0.000 0.000 0.352 96 F C 0.281 176.045 175.800 -0.061 0.000 1.100 96 F CA -0.394 57.569 58.000 -0.062 0.000 1.191 96 F CB 0.749 39.710 39.000 -0.065 0.000 1.128 96 F HN 0.605 nan 8.300 nan 0.000 0.533 97 N N 5.411 123.533 118.700 -0.962 0.000 2.491 97 N HA 0.072 4.812 4.740 -0.000 0.000 0.274 97 N C 0.581 175.458 175.510 -1.056 0.000 1.023 97 N CA -0.211 52.407 53.050 -0.721 0.000 0.902 97 N CB 1.148 39.404 38.487 -0.385 0.000 1.267 97 N HN 0.935 nan 8.380 nan 0.000 0.503 98 E N 3.419 123.144 120.200 -0.791 0.000 2.130 98 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 98 E C 1.193 177.557 176.600 -0.393 0.000 0.998 98 E CA 1.026 57.117 56.400 -0.515 0.000 0.806 98 E CB 0.211 29.847 29.700 -0.108 0.000 0.738 98 E HN 0.666 nan 8.360 nan 0.000 0.459 99 L N 0.440 121.491 121.223 -0.287 0.000 2.187 99 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 99 L C 2.418 179.158 176.870 -0.217 0.000 1.100 99 L CA 0.831 55.554 54.840 -0.194 0.000 0.765 99 L CB -0.228 41.749 42.059 -0.137 0.000 0.904 99 L HN 0.103 nan 8.230 nan 0.000 0.437 100 S N -0.341 115.178 115.700 -0.301 0.000 2.474 100 S HA -0.030 4.440 4.470 -0.000 0.000 0.235 100 S C 1.863 176.328 174.600 -0.224 0.000 0.997 100 S CA 0.777 58.831 58.200 -0.242 0.000 0.949 100 S CB 0.019 63.057 63.200 -0.269 0.000 0.766 100 S HN 0.325 nan 8.310 nan 0.000 0.517 101 L N 0.942 121.965 121.223 -0.335 0.000 2.121 101 L HA 0.074 4.414 4.340 -0.000 0.000 0.200 101 L C 2.715 179.392 176.870 -0.320 0.000 1.077 101 L CA 0.889 55.497 54.840 -0.386 0.000 0.766 101 L CB -0.577 40.991 42.059 -0.818 0.000 0.931 101 L HN 0.230 nan 8.230 nan 0.000 0.452 102 E N 1.486 121.492 120.200 -0.324 0.000 2.273 102 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 102 E C 1.477 178.080 176.600 0.006 0.000 1.002 102 E CA 1.122 57.446 56.400 -0.127 0.000 0.828 102 E CB 0.155 29.851 29.700 -0.007 0.000 0.747 102 E HN 0.418 nan 8.360 nan 0.000 0.491 103 A N 1.439 124.236 122.820 -0.040 0.000 2.961 103 A HA -0.125 4.195 4.320 -0.000 0.000 0.170 103 A C 1.153 178.766 177.584 0.049 0.000 1.374 103 A CA 0.717 52.753 52.037 -0.001 0.000 0.794 103 A CB -0.819 18.157 19.000 -0.041 0.000 1.008 103 A HN 0.232 nan 8.150 nan 0.000 0.519 104 E N 1.001 121.219 120.200 0.030 0.000 2.710 104 E HA 0.176 4.525 4.350 -0.000 0.000 0.299 104 E C -0.224 176.432 176.600 0.093 0.000 1.132 104 E CA 0.834 57.264 56.400 0.050 0.000 1.220 104 E CB -1.558 28.159 29.700 0.028 0.000 1.058 104 E HN 0.460 nan 8.360 nan 0.000 0.472 105 S N 3.476 119.260 115.700 0.140 0.000 3.524 105 S HA -0.247 4.223 4.470 -0.000 0.000 0.377 105 S C -0.629 174.143 174.600 0.286 0.000 0.949 105 S CA 0.789 59.099 58.200 0.183 0.000 1.264 105 S CB -1.712 61.537 63.200 0.082 0.000 0.918 105 S HN 0.787 nan 8.310 nan 0.000 0.517 106 H N -0.848 118.273 119.070 0.086 0.000 2.673 106 H HA -0.153 4.403 4.556 -0.000 0.000 0.318 106 H C 0.379 175.749 175.328 0.070 0.000 0.998 106 H CA 1.787 57.908 56.048 0.122 0.000 1.045 106 H CB -1.051 28.843 29.762 0.219 0.000 1.623 106 H HN 1.002 nan 8.280 nan 0.000 0.359 107 R N 0.489 121.045 120.500 0.093 0.000 2.644 107 R HA 0.430 4.770 4.340 -0.000 0.000 0.257 107 R C -3.558 172.748 176.300 0.009 0.000 1.082 107 R CA -1.896 54.239 56.100 0.059 0.000 0.927 107 R CB 1.888 32.230 30.300 0.069 0.000 1.258 107 R HN 0.070 nan 8.270 nan 0.000 0.459 108 P HA 0.006 nan 4.420 nan 0.000 0.269 108 P C -0.294 176.995 177.300 -0.018 0.000 1.215 108 P CA -0.037 63.065 63.100 0.004 0.000 0.780 108 P CB 0.775 32.477 31.700 0.004 0.000 0.898 109 D N 0.677 121.061 120.400 -0.026 0.000 2.126 109 D HA -0.130 4.509 4.640 -0.000 0.000 0.190 109 D C 0.978 177.247 176.300 -0.052 0.000 1.001 109 D CA 1.744 55.723 54.000 -0.036 0.000 0.841 109 D CB 0.088 40.867 40.800 -0.036 0.000 0.949 109 D HN 0.635 nan 8.370 nan 0.000 0.446 110 N N -2.399 116.251 118.700 -0.083 0.000 3.020 110 N HA 0.318 5.058 4.740 -0.000 0.000 0.248 110 N C -0.153 175.221 175.510 -0.227 0.000 1.480 110 N CA -0.291 52.670 53.050 -0.149 0.000 0.874 110 N CB 1.359 39.758 38.487 -0.147 0.000 1.433 110 N HN -0.102 nan 8.380 nan 0.000 0.530 111 A N -0.191 122.385 122.820 -0.407 0.000 2.206 111 A HA 0.092 4.412 4.320 -0.000 0.000 0.211 111 A C 1.482 178.868 177.584 -0.330 0.000 1.158 111 A CA 0.613 52.351 52.037 -0.499 0.000 0.761 111 A CB -0.470 17.838 19.000 -1.155 0.000 0.801 111 A HN 0.556 nan 8.150 nan 0.000 0.473 112 M N 0.009 119.441 119.600 -0.280 0.000 2.514 112 M HA 0.217 4.697 4.480 -0.000 0.000 0.258 112 M C 0.867 177.081 176.300 -0.144 0.000 1.119 112 M CA 0.334 55.491 55.300 -0.238 0.000 1.111 112 M CB -0.994 31.404 32.600 -0.337 0.000 1.390 112 M HN 0.572 nan 8.290 nan 0.000 0.475 113 I N -2.367 118.150 120.570 -0.089 0.000 2.677 113 I HA 0.321 4.491 4.170 -0.000 0.000 0.305 113 I C 1.127 177.221 176.117 -0.038 0.000 0.988 113 I CA -0.651 60.673 61.300 0.040 0.000 1.260 113 I CB 0.522 38.565 38.000 0.071 0.000 1.410 113 I HN -0.142 nan 8.210 nan 0.000 0.523 114 N N 2.993 121.671 118.700 -0.036 0.000 2.036 114 N HA -0.212 4.528 4.740 -0.000 0.000 0.195 114 N C 1.841 177.196 175.510 -0.259 0.000 1.037 114 N CA 2.242 55.176 53.050 -0.192 0.000 0.855 114 N CB -0.686 37.712 38.487 -0.149 0.000 1.033 114 N HN 0.857 nan 8.380 nan 0.000 0.423 115 A N 0.293 123.020 122.820 -0.155 0.000 1.892 115 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 115 A C 2.400 179.902 177.584 -0.137 0.000 1.188 115 A CA 2.145 54.090 52.037 -0.152 0.000 0.631 115 A CB -1.349 17.626 19.000 -0.042 0.000 0.822 115 A HN 0.395 nan 8.150 nan 0.000 0.447 116 G N -0.846 107.886 108.800 -0.114 0.000 2.422 116 G HA2 0.036 3.996 3.960 -0.000 0.000 0.218 116 G HA3 0.036 3.996 3.960 -0.000 0.000 0.218 116 G C 1.704 176.511 174.900 -0.155 0.000 1.146 116 G CA 1.365 46.389 45.100 -0.127 0.000 0.769 116 G HN 0.839 nan 8.290 nan 0.000 0.547 117 A N 0.455 123.154 122.820 -0.201 0.000 1.930 117 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 117 A C 2.405 179.867 177.584 -0.203 0.000 1.175 117 A CA 1.083 53.002 52.037 -0.195 0.000 0.627 117 A CB -0.315 18.523 19.000 -0.269 0.000 0.815 117 A HN 0.360 nan 8.150 nan 0.000 0.443 118 L N -0.914 120.122 121.223 -0.313 0.000 2.056 118 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 118 L C 3.081 179.921 176.870 -0.049 0.000 1.078 118 L CA 0.994 55.708 54.840 -0.209 0.000 0.749 118 L CB -0.502 41.407 42.059 -0.249 0.000 0.901 118 L HN 0.424 nan 8.230 nan 0.000 0.433 119 A N -0.474 122.312 122.820 -0.057 0.000 1.933 119 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 119 A C 2.333 179.934 177.584 0.029 0.000 1.175 119 A CA 1.595 53.627 52.037 -0.007 0.000 0.628 119 A CB -0.716 18.276 19.000 -0.014 0.000 0.814 119 A HN 0.192 nan 8.150 nan 0.000 0.444 120 V N -0.579 119.351 119.914 0.027 0.000 2.358 120 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 120 V C 2.506 178.653 176.094 0.088 0.000 1.047 120 V CA 2.055 64.396 62.300 0.068 0.000 1.035 120 V CB -0.911 30.956 31.823 0.072 0.000 0.658 120 V HN 0.744 nan 8.190 nan 0.000 0.452 121 H N 0.157 119.253 119.070 0.044 0.000 2.319 121 H HA -0.223 4.333 4.556 -0.000 0.000 0.299 121 H C 2.415 177.772 175.328 0.048 0.000 1.092 121 H CA 2.399 58.489 56.048 0.070 0.000 1.302 121 H CB 0.044 29.870 29.762 0.108 0.000 1.373 121 H HN 0.478 nan 8.280 nan 0.000 0.497 122 Q N 0.938 120.844 119.800 0.177 0.000 2.152 122 Q HA -0.124 4.215 4.340 -0.000 0.000 0.206 122 Q C 2.325 178.357 176.000 0.054 0.000 0.985 122 Q CA 1.646 57.517 55.803 0.112 0.000 0.863 122 Q CB -0.534 28.247 28.738 0.072 0.000 0.904 122 Q HN 0.533 nan 8.270 nan 0.000 0.422 123 L N -0.370 120.873 121.223 0.034 0.000 2.492 123 L HA 0.013 4.353 4.340 -0.000 0.000 0.223 123 L C 2.026 178.887 176.870 -0.016 0.000 1.132 123 L CA -0.003 54.845 54.840 0.013 0.000 0.850 123 L CB -0.283 41.788 42.059 0.020 0.000 0.966 123 L HN 0.260 nan 8.230 nan 0.000 0.454 124 L N -0.712 120.479 121.223 -0.053 0.000 2.054 124 L HA -0.332 4.008 4.340 -0.000 0.000 0.220 124 L C 2.070 178.905 176.870 -0.059 0.000 1.081 124 L CA 1.544 56.332 54.840 -0.088 0.000 0.780 124 L CB -0.347 41.589 42.059 -0.205 0.000 0.893 124 L HN 0.189 nan 8.230 nan 0.000 0.438 125 V N -2.898 116.992 119.914 -0.040 0.000 3.250 125 V HA 0.428 4.548 4.120 -0.000 0.000 0.240 125 V C 0.577 176.662 176.094 -0.013 0.000 1.275 125 V CA 0.622 62.906 62.300 -0.025 0.000 1.206 125 V CB 1.067 32.878 31.823 -0.019 0.000 0.976 125 V HN 0.498 nan 8.190 nan 0.000 0.467 126 G N -0.700 108.096 108.800 -0.006 0.000 2.325 126 G HA2 0.330 4.290 3.960 -0.000 0.000 0.297 126 G HA3 0.330 4.290 3.960 -0.000 0.000 0.297 126 G C -2.799 172.106 174.900 0.008 0.000 1.448 126 G CA -0.080 45.020 45.100 0.001 0.000 0.838 126 G HN -0.067 nan 8.290 nan 0.000 0.579 127 P HA -0.074 nan 4.420 nan 0.000 0.216 127 P C 0.926 178.236 177.300 0.017 0.000 1.157 127 P CA 1.509 64.618 63.100 0.016 0.000 0.880 127 P CB 0.250 31.959 31.700 0.014 0.000 0.791 128 E N -1.237 118.972 120.200 0.014 0.000 2.437 128 E HA 0.328 4.678 4.350 -0.000 0.000 0.195 128 E C 0.200 176.809 176.600 0.016 0.000 1.029 128 E CA -0.294 56.115 56.400 0.015 0.000 0.948 128 E CB -0.442 29.266 29.700 0.013 0.000 1.082 128 E HN 0.156 nan 8.360 nan 0.000 0.456 129 A N 1.091 123.921 122.820 0.016 0.000 2.425 129 A HA 0.400 4.720 4.320 -0.000 0.000 0.249 129 A C 0.713 178.313 177.584 0.026 0.000 1.084 129 A CA -0.330 51.717 52.037 0.016 0.000 0.781 129 A CB 0.305 19.311 19.000 0.010 0.000 1.019 129 A HN 0.270 nan 8.150 nan 0.000 0.490 130 S N 1.735 117.450 115.700 0.026 0.000 2.645 130 S HA 0.276 4.746 4.470 -0.000 0.000 0.266 130 S C 1.271 175.901 174.600 0.051 0.000 1.258 130 S CA 0.006 58.227 58.200 0.034 0.000 0.990 130 S CB 0.815 64.031 63.200 0.027 0.000 0.967 130 S HN 0.824 nan 8.310 nan 0.000 0.556 131 R N 0.907 121.444 120.500 0.062 0.000 2.080 131 R HA -0.129 4.211 4.340 -0.000 0.000 0.236 131 R C 2.297 178.655 176.300 0.096 0.000 1.137 131 R CA 1.876 58.030 56.100 0.091 0.000 0.943 131 R CB -0.558 29.791 30.300 0.082 0.000 0.846 131 R HN 0.847 nan 8.270 nan 0.000 0.431 132 K N 0.491 120.931 120.400 0.066 0.000 2.097 132 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 132 K C 1.826 178.456 176.600 0.051 0.000 1.049 132 K CA 1.838 58.160 56.287 0.059 0.000 0.933 132 K CB 0.020 32.540 32.500 0.034 0.000 0.717 132 K HN 0.309 nan 8.250 nan 0.000 0.442 133 E N -0.054 120.168 120.200 0.037 0.000 2.110 133 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 133 E C 2.158 178.765 176.600 0.012 0.000 0.988 133 E CA 1.132 57.544 56.400 0.021 0.000 0.804 133 E CB 0.068 29.777 29.700 0.014 0.000 0.745 133 E HN 0.260 nan 8.360 nan 0.000 0.458 134 R N 0.319 120.832 120.500 0.022 0.000 2.090 134 R HA -0.031 4.308 4.340 -0.000 0.000 0.228 134 R C 2.428 178.708 176.300 -0.033 0.000 1.110 134 R CA 0.538 56.616 56.100 -0.036 0.000 0.973 134 R CB -0.158 30.129 30.300 -0.020 0.000 0.869 134 R HN 0.183 nan 8.270 nan 0.000 0.440 135 L N 1.213 122.491 121.223 0.092 0.000 2.109 135 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 135 L C 0.923 177.825 176.870 0.054 0.000 1.086 135 L CA 1.974 56.890 54.840 0.127 0.000 0.760 135 L CB -0.609 41.543 42.059 0.155 0.000 0.910 135 L HN 0.130 nan 8.230 nan 0.000 0.437 136 D N 0.023 120.447 120.400 0.039 0.000 2.144 136 D HA -0.211 4.429 4.640 -0.000 0.000 0.199 136 D C 2.190 178.489 176.300 -0.001 0.000 0.984 136 D CA 0.888 54.900 54.000 0.020 0.000 0.834 136 D CB 0.007 40.817 40.800 0.018 0.000 0.955 136 D HN 0.168 nan 8.370 nan 0.000 0.465 137 R N 1.271 121.762 120.500 -0.014 0.000 2.081 137 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 137 R C 1.957 178.241 176.300 -0.027 0.000 1.131 137 R CA 1.777 57.861 56.100 -0.028 0.000 0.960 137 R CB -0.874 29.397 30.300 -0.048 0.000 0.856 137 R HN 0.085 nan 8.270 nan 0.000 0.436 138 A N -0.374 122.427 122.820 -0.032 0.000 1.877 138 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 138 A C 2.358 179.937 177.584 -0.007 0.000 1.186 138 A CA 1.814 53.848 52.037 -0.006 0.000 0.620 138 A CB -0.798 18.217 19.000 0.025 0.000 0.822 138 A HN 0.178 nan 8.150 nan 0.000 0.443 139 V N 0.206 120.111 119.914 -0.016 0.000 2.407 139 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 139 V C 2.518 178.586 176.094 -0.044 0.000 1.055 139 V CA 2.320 64.596 62.300 -0.039 0.000 1.049 139 V CB -0.734 31.071 31.823 -0.030 0.000 0.662 139 V HN 0.796 nan 8.190 nan 0.000 0.455 140 E N 0.126 120.309 120.200 -0.028 0.000 2.031 140 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 140 E C 2.217 178.798 176.600 -0.032 0.000 0.994 140 E CA 1.792 58.176 56.400 -0.028 0.000 0.800 140 E CB -0.208 29.482 29.700 -0.017 0.000 0.752 140 E HN 0.452 nan 8.360 nan 0.000 0.447 141 I N 0.826 121.385 120.570 -0.019 0.000 2.208 141 I HA -0.275 3.894 4.170 -0.000 0.000 0.245 141 I C 2.275 178.359 176.117 -0.055 0.000 1.097 141 I CA 1.560 62.857 61.300 -0.005 0.000 1.363 141 I CB -0.150 37.873 38.000 0.039 0.000 1.051 141 I HN 0.277 nan 8.210 nan 0.000 0.413 142 M N -0.868 118.669 119.600 -0.105 0.000 2.175 142 M HA -0.181 4.299 4.480 -0.000 0.000 0.264 142 M C 2.294 178.461 176.300 -0.222 0.000 1.063 142 M CA 1.643 56.784 55.300 -0.265 0.000 1.119 142 M CB -0.243 32.212 32.600 -0.242 0.000 1.377 142 M HN 0.169 nan 8.290 nan 0.000 0.415 143 S N 0.728 116.350 115.700 -0.130 0.000 2.368 143 S HA -0.057 4.413 4.470 -0.000 0.000 0.224 143 S C 1.802 176.364 174.600 -0.064 0.000 1.029 143 S CA 1.032 59.174 58.200 -0.097 0.000 0.988 143 S CB -0.356 62.803 63.200 -0.069 0.000 0.838 143 S HN 0.385 nan 8.310 nan 0.000 0.462 144 L N 1.036 122.233 121.223 -0.044 0.000 2.017 144 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 144 L C 2.178 179.087 176.870 0.065 0.000 1.073 144 L CA 1.161 56.002 54.840 0.002 0.000 0.745 144 L CB -0.573 41.492 42.059 0.009 0.000 0.894 144 L HN 0.296 nan 8.230 nan 0.000 0.432 145 L N -0.742 120.481 121.223 0.000 0.000 2.156 145 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 145 L C 2.760 179.615 176.870 -0.025 0.000 1.095 145 L CA 0.797 55.632 54.840 -0.009 0.000 0.770 145 L CB -0.673 41.331 42.059 -0.092 0.000 0.914 145 L HN 0.209 nan 8.230 nan 0.000 0.439 146 A N -0.135 122.642 122.820 -0.072 0.000 2.014 146 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 146 A C 1.841 179.474 177.584 0.081 0.000 1.163 146 A CA 1.093 53.097 52.037 -0.055 0.000 0.652 146 A CB -0.505 18.414 19.000 -0.135 0.000 0.808 146 A HN 0.517 nan 8.150 nan 0.000 0.449 147 G N -0.797 108.064 108.800 0.101 0.000 2.137 147 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.237 147 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.237 147 G C 0.086 174.965 174.900 -0.034 0.000 1.002 147 G CA 0.546 45.665 45.100 0.031 0.000 0.702 147 G HN 1.395 nan 8.290 nan 0.000 0.515 148 R N -2.046 118.429 120.500 -0.041 0.000 2.664 148 R HA 0.657 4.997 4.340 -0.000 0.000 0.266 148 R C -0.863 175.401 176.300 -0.060 0.000 1.046 148 R CA -1.316 54.752 56.100 -0.052 0.000 0.885 148 R CB 0.780 31.049 30.300 -0.051 0.000 1.254 148 R HN 0.010 nan 8.270 nan 0.000 0.465 149 R N 1.870 122.339 120.500 -0.053 0.000 2.404 149 R HA 0.280 4.620 4.340 -0.000 0.000 0.315 149 R C -0.304 175.958 176.300 -0.064 0.000 1.032 149 R CA 0.045 56.114 56.100 -0.052 0.000 0.992 149 R CB -0.010 30.267 30.300 -0.037 0.000 0.959 149 R HN 0.425 nan 8.270 nan 0.000 0.428 150 L N 1.166 122.342 121.223 -0.079 0.000 2.379 150 L HA 0.453 4.793 4.340 -0.000 0.000 0.269 150 L C 0.300 177.119 176.870 -0.085 0.000 1.084 150 L CA -0.485 54.294 54.840 -0.101 0.000 0.802 150 L CB 1.578 43.556 42.059 -0.136 0.000 1.175 150 L HN 0.578 nan 8.230 nan 0.000 0.448 151 S N 0.307 115.947 115.700 -0.099 0.000 2.664 151 S HA 0.606 5.076 4.470 -0.000 0.000 0.304 151 S C -0.555 173.953 174.600 -0.153 0.000 1.099 151 S CA -0.644 57.508 58.200 -0.079 0.000 1.003 151 S CB 2.277 65.448 63.200 -0.047 0.000 1.092 151 S HN 0.252 nan 8.310 nan 0.000 0.525 152 V N 2.202 121.997 119.914 -0.198 0.000 2.398 152 V HA 0.268 4.388 4.120 -0.000 0.000 0.286 152 V C -0.104 175.675 176.094 -0.525 0.000 1.026 152 V CA -0.748 61.261 62.300 -0.485 0.000 0.868 152 V CB 1.562 32.853 31.823 -0.885 0.000 0.982 152 V HN 0.847 nan 8.190 nan 0.000 0.443 153 D N 3.973 124.138 120.400 -0.393 0.000 2.402 153 D HA 0.058 4.698 4.640 -0.000 0.000 0.235 153 D C 0.410 176.575 176.300 -0.225 0.000 1.226 153 D CA -0.183 53.696 54.000 -0.203 0.000 0.918 153 D CB 0.661 41.394 40.800 -0.111 0.000 1.043 153 D HN 0.590 nan 8.370 nan 0.000 0.506 154 W N 2.508 123.826 121.300 0.029 0.000 2.595 154 W HA -0.003 4.657 4.660 -0.000 0.000 0.257 154 W C 2.222 178.822 176.519 0.136 0.000 1.267 154 W CA -0.087 57.309 57.345 0.085 0.000 1.300 154 W CB 0.101 29.576 29.460 0.025 0.000 1.120 154 W HN 0.510 nan 8.180 nan 0.000 0.618 155 E N -0.068 120.270 120.200 0.229 0.000 2.072 155 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 155 E C 1.726 178.391 176.600 0.108 0.000 0.985 155 E CA 1.768 58.260 56.400 0.153 0.000 0.801 155 E CB -0.042 29.715 29.700 0.095 0.000 0.750 155 E HN 0.105 nan 8.360 nan 0.000 0.452 156 T N 0.097 114.694 114.554 0.071 0.000 2.812 156 T HA -0.158 4.192 4.350 -0.000 0.000 0.264 156 T C 1.423 176.156 174.700 0.055 0.000 1.042 156 T CA 1.231 63.351 62.100 0.033 0.000 1.140 156 T CB -0.476 68.393 68.868 0.001 0.000 0.870 156 T HN 0.344 nan 8.240 nan 0.000 0.445 157 Y N 3.028 123.301 120.300 -0.044 0.000 2.070 157 Y HA -0.280 4.270 4.550 -0.000 0.000 0.280 157 Y C 2.422 178.363 175.900 0.068 0.000 1.148 157 Y CA 2.242 60.328 58.100 -0.023 0.000 1.125 157 Y CB -0.542 37.881 38.460 -0.062 0.000 0.975 157 Y HN 0.428 nan 8.280 nan 0.000 0.492 158 E N -0.562 119.696 120.200 0.097 0.000 2.097 158 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 158 E C 2.403 178.959 176.600 -0.072 0.000 1.000 158 E CA 1.845 58.237 56.400 -0.013 0.000 0.804 158 E CB -0.913 28.880 29.700 0.156 0.000 0.740 158 E HN 0.345 nan 8.360 nan 0.000 0.454 159 S N 0.418 116.108 115.700 -0.018 0.000 2.356 159 S HA -0.283 4.187 4.470 -0.000 0.000 0.223 159 S C 2.123 176.706 174.600 -0.028 0.000 1.032 159 S CA 1.593 59.781 58.200 -0.021 0.000 1.005 159 S CB -0.318 62.871 63.200 -0.018 0.000 0.867 159 S HN 0.508 nan 8.310 nan 0.000 0.449 160 E N 0.070 120.248 120.200 -0.038 0.000 2.106 160 E HA -0.080 4.269 4.350 -0.000 0.000 0.192 160 E C 2.076 178.638 176.600 -0.065 0.000 0.984 160 E CA 1.175 57.583 56.400 0.014 0.000 0.806 160 E CB -0.190 29.524 29.700 0.023 0.000 0.750 160 E HN 0.369 nan 8.360 nan 0.000 0.458 161 M N 0.368 119.839 119.600 -0.215 0.000 2.267 161 M HA -0.057 4.422 4.480 -0.000 0.000 0.263 161 M C 2.173 178.414 176.300 -0.099 0.000 1.063 161 M CA 1.398 56.564 55.300 -0.222 0.000 1.090 161 M CB -0.960 31.396 32.600 -0.406 0.000 1.392 161 M HN 0.317 nan 8.290 nan 0.000 0.422 162 A N -0.049 122.732 122.820 -0.065 0.000 2.168 162 A HA 0.122 4.442 4.320 -0.000 0.000 0.215 162 A C 1.405 178.989 177.584 0.000 0.000 1.152 162 A CA 1.135 53.158 52.037 -0.023 0.000 0.716 162 A CB -0.384 18.609 19.000 -0.012 0.000 0.794 162 A HN 0.390 nan 8.150 nan 0.000 0.465 163 V N -4.296 115.626 119.914 0.013 0.000 2.792 163 V HA 0.365 4.485 4.120 -0.000 0.000 0.360 163 V C 0.272 176.376 176.094 0.016 0.000 1.306 163 V CA 0.176 62.496 62.300 0.033 0.000 1.245 163 V CB -0.307 31.569 31.823 0.087 0.000 1.382 163 V HN 0.107 nan 8.190 nan 0.000 0.636 164 S N 0.819 116.516 115.700 -0.005 0.000 2.679 164 S HA 0.101 4.571 4.470 -0.000 0.000 0.233 164 S C 1.361 175.953 174.600 -0.013 0.000 0.951 164 S CA 0.028 58.220 58.200 -0.014 0.000 0.973 164 S CB -0.202 62.986 63.200 -0.021 0.000 0.778 164 S HN 0.677 nan 8.310 nan 0.000 0.477 165 D N 2.412 122.806 120.400 -0.009 0.000 2.116 165 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 165 D C 2.046 178.335 176.300 -0.019 0.000 0.998 165 D CA 1.059 55.056 54.000 -0.005 0.000 0.836 165 D CB -0.037 40.761 40.800 -0.003 0.000 0.951 165 D HN 0.386 nan 8.370 nan 0.000 0.449 166 R N 0.663 121.141 120.500 -0.038 0.000 2.080 166 R HA -0.135 4.205 4.340 -0.000 0.000 0.236 166 R C 1.981 178.234 176.300 -0.080 0.000 1.137 166 R CA 1.442 57.507 56.100 -0.059 0.000 0.943 166 R CB -0.016 30.241 30.300 -0.073 0.000 0.846 166 R HN 0.069 nan 8.270 nan 0.000 0.431 167 N N 0.649 119.308 118.700 -0.069 0.000 2.166 167 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 167 N C 1.845 177.299 175.510 -0.093 0.000 1.019 167 N CA 1.240 54.240 53.050 -0.084 0.000 0.856 167 N CB -0.199 38.274 38.487 -0.023 0.000 0.993 167 N HN 0.279 nan 8.380 nan 0.000 0.426 168 L N 0.216 121.410 121.223 -0.049 0.000 2.191 168 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 168 L C 2.488 179.368 176.870 0.018 0.000 1.103 168 L CA 0.759 55.583 54.840 -0.027 0.000 0.769 168 L CB -0.349 41.735 42.059 0.042 0.000 0.908 168 L HN 0.149 nan 8.230 nan 0.000 0.438 169 S N 0.071 115.761 115.700 -0.016 0.000 2.355 169 S HA -0.114 4.356 4.470 -0.000 0.000 0.222 169 S C 1.996 176.502 174.600 -0.158 0.000 1.031 169 S CA 0.953 59.131 58.200 -0.036 0.000 0.993 169 S CB -0.136 63.022 63.200 -0.071 0.000 0.859 169 S HN 0.309 nan 8.310 nan 0.000 0.453 170 L N 1.208 122.273 121.223 -0.264 0.000 2.012 170 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 170 L C 3.026 179.722 176.870 -0.290 0.000 1.073 170 L CA 1.410 55.993 54.840 -0.428 0.000 0.748 170 L CB -0.905 40.925 42.059 -0.381 0.000 0.891 170 L HN 0.430 nan 8.230 nan 0.000 0.431 171 A N -0.867 121.827 122.820 -0.209 0.000 1.877 171 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 171 A C 2.158 179.648 177.584 -0.157 0.000 1.186 171 A CA 1.528 53.450 52.037 -0.193 0.000 0.620 171 A CB -0.843 18.021 19.000 -0.227 0.000 0.822 171 A HN 0.420 nan 8.150 nan 0.000 0.443 172 H N -1.799 117.229 119.070 -0.070 0.000 2.353 172 H HA -0.121 4.435 4.556 0.000 0.000 0.300 172 H C 2.066 177.393 175.328 -0.001 0.000 1.090 172 H CA 2.109 58.139 56.048 -0.029 0.000 1.327 172 H CB -0.279 29.466 29.762 -0.027 0.000 1.383 172 H HN 0.506 nan 8.280 nan 0.000 0.508 173 M N 0.622 120.268 119.600 0.076 0.000 2.132 173 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 173 M C 2.224 178.630 176.300 0.177 0.000 1.065 173 M CA 1.196 56.564 55.300 0.115 0.000 1.122 173 M CB -0.549 32.019 32.600 -0.053 0.000 1.365 173 M HN 0.107 nan 8.290 nan 0.000 0.411 174 L N -0.899 120.345 121.223 0.035 0.000 2.083 174 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 174 L C 2.554 179.499 176.870 0.126 0.000 1.083 174 L CA 1.310 56.191 54.840 0.068 0.000 0.752 174 L CB -0.702 41.343 42.059 -0.023 0.000 0.899 174 L HN 0.305 nan 8.230 nan 0.000 0.433 175 R N -0.698 119.853 120.500 0.085 0.000 2.073 175 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 175 R C 2.576 178.946 176.300 0.116 0.000 1.134 175 R CA 1.570 57.720 56.100 0.083 0.000 0.952 175 R CB -0.550 29.787 30.300 0.062 0.000 0.850 175 R HN 0.232 nan 8.270 nan 0.000 0.433 176 S N -0.014 115.773 115.700 0.144 0.000 2.402 176 S HA -0.174 4.296 4.470 -0.000 0.000 0.233 176 S C 1.289 175.892 174.600 0.004 0.000 1.030 176 S CA 1.271 59.521 58.200 0.084 0.000 1.003 176 S CB -0.115 63.155 63.200 0.117 0.000 0.813 176 S HN 0.364 nan 8.310 nan 0.000 0.477 177 Y N 0.755 121.107 120.300 0.085 0.000 2.468 177 Y HA 0.352 4.901 4.550 -0.001 0.000 0.268 177 Y C 1.771 177.775 175.900 0.173 0.000 1.177 177 Y CA -0.044 58.144 58.100 0.147 0.000 1.265 177 Y CB -0.018 38.490 38.460 0.080 0.000 1.103 177 Y HN 0.361 nan 8.280 nan 0.000 0.522 178 G N -0.426 108.490 108.800 0.194 0.000 2.143 178 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 178 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 178 G C 0.882 175.858 174.900 0.126 0.000 0.991 178 G CA 0.603 45.782 45.100 0.132 0.000 0.689 178 G HN 0.270 nan 8.290 nan 0.000 0.522 179 V N -0.130 119.869 119.914 0.141 0.000 2.878 179 V HA 0.309 4.429 4.120 -0.000 0.000 0.250 179 V C 1.510 177.642 176.094 0.063 0.000 1.075 179 V CA 1.251 63.612 62.300 0.101 0.000 1.096 179 V CB 0.019 31.900 31.823 0.096 0.000 0.724 179 V HN 0.408 nan 8.190 nan 0.000 0.467 180 L N -0.305 120.952 121.223 0.055 0.000 2.334 180 L HA 0.396 4.736 4.340 -0.000 0.000 0.276 180 L C 0.535 177.427 176.870 0.036 0.000 1.014 180 L CA -0.327 54.533 54.840 0.033 0.000 0.815 180 L CB 2.005 44.066 42.059 0.004 0.000 1.268 180 L HN 0.059 nan 8.230 nan 0.000 0.428 181 Q N -0.277 119.542 119.800 0.032 0.000 2.462 181 Q HA 0.139 4.479 4.340 -0.000 0.000 0.224 181 Q C -0.026 175.990 176.000 0.026 0.000 0.911 181 Q CA 0.416 56.237 55.803 0.031 0.000 0.925 181 Q CB 0.584 29.341 28.738 0.031 0.000 1.063 181 Q HN 0.538 nan 8.270 nan 0.000 0.572 182 D N 0.665 121.080 120.400 0.025 0.000 2.414 182 D HA 0.103 4.743 4.640 -0.000 0.000 0.251 182 D C 0.187 176.490 176.300 0.004 0.000 1.252 182 D CA 0.186 54.199 54.000 0.022 0.000 0.999 182 D CB 0.646 41.466 40.800 0.033 0.000 1.093 182 D HN 0.158 nan 8.370 nan 0.000 0.515 183 S N -0.789 114.912 115.700 0.001 0.000 2.585 183 S HA 0.266 4.736 4.470 -0.000 0.000 0.273 183 S C 1.032 175.582 174.600 -0.083 0.000 1.339 183 S CA -0.178 58.007 58.200 -0.024 0.000 1.028 183 S CB 1.544 64.745 63.200 0.001 0.000 0.906 183 S HN 0.500 nan 8.310 nan 0.000 0.528 184 A N 2.272 124.968 122.820 -0.206 0.000 1.908 184 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 184 A C 1.982 179.457 177.584 -0.183 0.000 1.181 184 A CA 1.931 53.770 52.037 -0.330 0.000 0.627 184 A CB -1.170 17.284 19.000 -0.910 0.000 0.818 184 A HN 0.920 nan 8.150 nan 0.000 0.445 185 E N -0.185 119.947 120.200 -0.114 0.000 2.051 185 E HA -0.190 4.159 4.350 -0.000 0.000 0.192 185 E C 1.947 178.545 176.600 -0.003 0.000 0.991 185 E CA 1.441 57.822 56.400 -0.032 0.000 0.799 185 E CB -0.329 29.377 29.700 0.009 0.000 0.748 185 E HN 0.827 nan 8.360 nan 0.000 0.449 186 E N 0.226 120.428 120.200 0.004 0.000 2.077 186 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 186 E C 1.783 178.395 176.600 0.021 0.000 0.989 186 E CA 1.054 57.472 56.400 0.031 0.000 0.800 186 E CB 0.047 29.769 29.700 0.037 0.000 0.746 186 E HN 0.135 nan 8.360 nan 0.000 0.452 187 I N 0.856 121.422 120.570 -0.007 0.000 2.353 187 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 187 I C 2.451 178.519 176.117 -0.082 0.000 1.119 187 I CA 0.677 61.961 61.300 -0.027 0.000 1.417 187 I CB -0.954 37.037 38.000 -0.015 0.000 1.078 187 I HN 0.102 nan 8.210 nan 0.000 0.421 188 V N 1.339 121.226 119.914 -0.044 0.000 2.427 188 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 188 V C 2.802 178.924 176.094 0.047 0.000 1.051 188 V CA 1.551 63.855 62.300 0.007 0.000 1.048 188 V CB -0.943 30.872 31.823 -0.012 0.000 0.666 188 V HN 0.420 nan 8.190 nan 0.000 0.456 189 A N 0.580 123.434 122.820 0.056 0.000 1.902 189 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 189 A C 2.426 180.102 177.584 0.152 0.000 1.181 189 A CA 1.894 54.038 52.037 0.179 0.000 0.623 189 A CB -1.214 17.918 19.000 0.220 0.000 0.818 189 A HN 0.506 nan 8.150 nan 0.000 0.443 190 G N -1.525 107.251 108.800 -0.039 0.000 2.446 190 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 190 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 190 G C 1.579 176.221 174.900 -0.430 0.000 1.168 190 G CA 1.342 46.302 45.100 -0.232 0.000 0.771 190 G HN 0.617 nan 8.290 nan 0.000 0.551 191 Y N 1.141 121.064 120.300 -0.629 0.000 2.242 191 Y HA -0.044 4.506 4.550 -0.000 0.000 0.291 191 Y C 2.688 178.548 175.900 -0.067 0.000 1.137 191 Y CA 1.298 59.222 58.100 -0.294 0.000 1.181 191 Y CB -0.198 38.142 38.460 -0.198 0.000 0.989 191 Y HN 0.037 nan 8.280 nan 0.000 0.527 192 V N 0.395 120.222 119.914 -0.146 0.000 2.427 192 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 192 V C 2.653 178.727 176.094 -0.033 0.000 1.051 192 V CA 1.626 63.841 62.300 -0.141 0.000 1.048 192 V CB -1.392 30.429 31.823 -0.003 0.000 0.666 192 V HN 0.556 nan 8.190 nan 0.000 0.456 193 A N -0.608 122.249 122.820 0.062 0.000 1.930 193 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 193 A C 2.247 179.696 177.584 -0.226 0.000 1.175 193 A CA 1.895 53.829 52.037 -0.172 0.000 0.627 193 A CB -0.529 18.288 19.000 -0.304 0.000 0.815 193 A HN 0.595 nan 8.150 nan 0.000 0.443 194 Q N -0.440 119.281 119.800 -0.132 0.000 2.077 194 Q HA -0.247 4.093 4.340 -0.000 0.000 0.206 194 Q C 1.931 177.835 176.000 -0.159 0.000 0.989 194 Q CA 2.357 58.111 55.803 -0.082 0.000 0.853 194 Q CB -0.422 28.342 28.738 0.043 0.000 0.907 194 Q HN 0.648 nan 8.270 nan 0.000 0.418 195 C N 0.122 119.258 119.300 -0.274 0.000 2.472 195 C HA 0.131 4.591 4.460 -0.000 0.000 0.278 195 C C 2.341 177.242 174.990 -0.149 0.000 1.447 195 C CA 0.443 59.326 59.018 -0.225 0.000 1.773 195 C CB -1.066 26.473 27.740 -0.336 0.000 1.793 195 C HN 0.597 nan 8.230 nan 0.000 0.544 196 A N -0.143 122.565 122.820 -0.185 0.000 2.275 196 A HA 0.302 4.622 4.320 -0.000 0.000 0.212 196 A C 0.801 178.236 177.584 -0.249 0.000 1.201 196 A CA 0.265 52.182 52.037 -0.200 0.000 0.843 196 A CB -0.171 18.678 19.000 -0.252 0.000 0.873 196 A HN 0.308 nan 8.150 nan 0.000 0.492 197 V N 1.305 121.084 119.914 -0.225 0.000 2.599 197 V HA 0.034 4.153 4.120 -0.000 0.000 0.300 197 V C 0.311 176.268 176.094 -0.227 0.000 1.034 197 V CA 0.414 62.582 62.300 -0.220 0.000 1.115 197 V CB 0.727 32.447 31.823 -0.172 0.000 0.934 197 V HN 0.435 nan 8.190 nan 0.000 0.485 198 L N 6.668 127.746 121.223 -0.241 0.000 2.305 198 L HA 0.631 4.971 4.340 -0.000 0.000 0.281 198 L C -0.169 176.482 176.870 -0.365 0.000 1.085 198 L CA -0.159 54.504 54.840 -0.296 0.000 0.813 198 L CB 1.422 43.345 42.059 -0.227 0.000 1.157 198 L HN 0.643 nan 8.230 nan 0.000 0.436 199 V N -0.423 119.132 119.914 -0.598 0.000 3.114 199 V HA 0.793 4.913 4.120 -0.000 0.000 0.308 199 V C -0.200 175.350 176.094 -0.906 0.000 1.168 199 V CA -0.619 61.310 62.300 -0.619 0.000 1.015 199 V CB 1.851 33.363 31.823 -0.518 0.000 1.050 199 V HN 0.752 nan 8.190 nan 0.000 0.433 200 T N -1.014 113.259 114.554 -0.470 0.000 2.937 200 T HA 0.575 4.924 4.350 -0.000 0.000 0.283 200 T C 1.181 175.890 174.700 0.014 0.000 1.012 200 T CA 0.058 62.022 62.100 -0.225 0.000 0.997 200 T CB 1.446 70.267 68.868 -0.079 0.000 1.136 200 T HN 1.933 nan 8.240 nan 0.000 0.551 201 V N -0.360 119.698 119.914 0.239 0.000 2.626 201 V HA -0.018 4.102 4.120 -0.000 0.000 0.252 201 V C 2.205 178.376 176.094 0.129 0.000 1.067 201 V CA 1.184 63.638 62.300 0.257 0.000 1.081 201 V CB -1.154 30.830 31.823 0.268 0.000 0.686 201 V HN 0.856 nan 8.190 nan 0.000 0.468 202 K N 0.371 120.815 120.400 0.073 0.000 2.097 202 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 202 K C 1.996 178.601 176.600 0.008 0.000 1.050 202 K CA 1.714 58.023 56.287 0.037 0.000 0.938 202 K CB -0.380 32.131 32.500 0.019 0.000 0.718 202 K HN 0.526 nan 8.250 nan 0.000 0.442 203 D N 1.357 121.742 120.400 -0.026 0.000 2.104 203 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 203 D C 2.051 178.320 176.300 -0.051 0.000 0.994 203 D CA 1.081 55.040 54.000 -0.068 0.000 0.830 203 D CB -0.235 40.483 40.800 -0.138 0.000 0.959 203 D HN 0.120 nan 8.370 nan 0.000 0.452 204 L N 0.894 122.118 121.223 0.002 0.000 2.042 204 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 204 L C 2.637 179.565 176.870 0.096 0.000 1.076 204 L CA 1.193 56.081 54.840 0.080 0.000 0.749 204 L CB -0.415 41.750 42.059 0.177 0.000 0.893 204 L HN -0.014 nan 8.230 nan 0.000 0.432 205 A N -0.578 122.290 122.820 0.079 0.000 1.902 205 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 205 A C 2.285 179.882 177.584 0.023 0.000 1.181 205 A CA 1.855 53.932 52.037 0.066 0.000 0.623 205 A CB -0.738 18.297 19.000 0.059 0.000 0.818 205 A HN 0.226 nan 8.150 nan 0.000 0.443 206 V N -0.335 119.572 119.914 -0.012 0.000 2.379 206 V HA -0.266 3.853 4.120 -0.000 0.000 0.245 206 V C 2.608 178.639 176.094 -0.104 0.000 1.044 206 V CA 2.131 64.389 62.300 -0.071 0.000 1.036 206 V CB -0.691 31.097 31.823 -0.058 0.000 0.664 206 V HN 0.569 nan 8.190 nan 0.000 0.453 207 M N 0.468 120.030 119.600 -0.064 0.000 2.132 207 M HA -0.051 4.429 4.480 -0.000 0.000 0.263 207 M C 2.272 178.673 176.300 0.169 0.000 1.065 207 M CA 2.116 57.392 55.300 -0.041 0.000 1.122 207 M CB -0.866 31.577 32.600 -0.261 0.000 1.365 207 M HN 0.442 nan 8.290 nan 0.000 0.411 208 G N -0.175 108.734 108.800 0.181 0.000 2.443 208 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.219 208 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.219 208 G C 1.619 176.567 174.900 0.079 0.000 1.131 208 G CA 0.874 46.075 45.100 0.168 0.000 0.775 208 G HN 0.537 nan 8.290 nan 0.000 0.547 209 A N -0.068 122.765 122.820 0.022 0.000 1.969 209 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 209 A C 2.506 180.066 177.584 -0.041 0.000 1.169 209 A CA 1.577 53.602 52.037 -0.021 0.000 0.635 209 A CB -0.790 18.173 19.000 -0.062 0.000 0.810 209 A HN 0.409 nan 8.150 nan 0.000 0.445 210 C N -0.650 118.610 119.300 -0.065 0.000 2.440 210 C HA -0.019 4.441 4.460 -0.000 0.000 0.278 210 C C 2.573 177.572 174.990 0.015 0.000 1.295 210 C CA 0.884 59.867 59.018 -0.058 0.000 1.738 210 C CB -1.453 26.249 27.740 -0.063 0.000 1.987 210 C HN 0.620 nan 8.230 nan 0.000 0.492 211 L N 1.098 122.351 121.223 0.051 0.000 2.109 211 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 211 L C 2.870 179.758 176.870 0.031 0.000 1.086 211 L CA 1.453 56.320 54.840 0.046 0.000 0.760 211 L CB -0.792 41.293 42.059 0.044 0.000 0.910 211 L HN 0.288 nan 8.230 nan 0.000 0.437 212 A N 0.099 122.936 122.820 0.029 0.000 2.015 212 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 212 A C 2.282 179.879 177.584 0.021 0.000 1.163 212 A CA 1.919 53.971 52.037 0.026 0.000 0.646 212 A CB -0.751 18.264 19.000 0.025 0.000 0.806 212 A HN 0.511 nan 8.150 nan 0.000 0.448 213 T N -4.734 109.828 114.554 0.014 0.000 3.107 213 T HA 0.403 4.753 4.350 -0.000 0.000 0.249 213 T C 1.263 175.976 174.700 0.022 0.000 1.096 213 T CA 1.047 63.156 62.100 0.015 0.000 1.012 213 T CB 0.085 68.958 68.868 0.007 0.000 0.977 213 T HN 1.652 nan 8.240 nan 0.000 0.527 214 G N 0.290 109.104 108.800 0.025 0.000 2.131 214 G HA2 0.196 4.156 3.960 -0.000 0.000 0.223 214 G HA3 0.196 4.156 3.960 -0.000 0.000 0.223 214 G C 0.916 175.834 174.900 0.031 0.000 0.990 214 G CA 0.141 45.258 45.100 0.029 0.000 0.671 214 G HN 1.746 nan 8.290 nan 0.000 0.521 215 G N -1.474 107.344 108.800 0.030 0.000 2.184 215 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.206 215 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.206 215 G C 0.151 175.074 174.900 0.038 0.000 0.995 215 G CA 0.134 45.255 45.100 0.035 0.000 0.651 215 G HN 1.113 nan 8.290 nan 0.000 0.511 216 I N 2.005 122.594 120.570 0.031 0.000 2.365 216 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 216 I C 0.582 176.723 176.117 0.041 0.000 1.004 216 I CA -1.031 60.296 61.300 0.045 0.000 1.311 216 I CB 0.958 38.981 38.000 0.039 0.000 1.401 216 I HN 0.096 nan 8.210 nan 0.000 0.491 217 H N 9.087 128.163 119.070 0.011 0.000 2.899 217 H HA 0.130 4.686 4.556 -0.000 0.000 0.303 217 H C -1.582 173.746 175.328 -0.000 0.000 1.042 217 H CA -1.406 54.645 56.048 0.004 0.000 1.479 217 H CB 1.525 31.284 29.762 -0.004 0.000 1.493 217 H HN 0.332 nan 8.280 nan 0.000 0.534 218 P HA -0.138 nan 4.420 nan 0.000 0.222 218 P C 1.206 178.598 177.300 0.154 0.000 1.147 218 P CA 0.904 64.039 63.100 0.058 0.000 0.790 218 P CB 0.393 32.069 31.700 -0.040 0.000 0.780 219 M N -0.658 119.172 119.600 0.382 0.000 2.394 219 M HA 0.044 4.524 4.480 -0.000 0.000 0.266 219 M C 1.837 178.169 176.300 0.055 0.000 1.098 219 M CA 1.757 57.162 55.300 0.176 0.000 1.149 219 M CB -1.624 31.063 32.600 0.145 0.000 1.369 219 M HN 0.100 nan 8.290 nan 0.000 0.450 220 T N -4.325 110.255 114.554 0.043 0.000 3.004 220 T HA 0.393 4.743 4.350 -0.000 0.000 0.266 220 T C 1.386 176.098 174.700 0.019 0.000 0.986 220 T CA 0.781 62.864 62.100 -0.027 0.000 0.902 220 T CB 0.348 69.138 68.868 -0.131 0.000 1.118 220 T HN 0.486 nan 8.240 nan 0.000 0.522 221 G N 1.707 110.549 108.800 0.071 0.000 2.168 221 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.263 221 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.263 221 G C -0.186 174.744 174.900 0.050 0.000 0.977 221 G CA 0.224 45.358 45.100 0.057 0.000 0.659 221 G HN 0.614 nan 8.290 nan 0.000 0.533 222 E N 0.144 120.377 120.200 0.054 0.000 2.313 222 E HA 0.290 4.640 4.350 -0.000 0.000 0.276 222 E C 0.733 177.370 176.600 0.063 0.000 1.031 222 E CA -0.707 55.718 56.400 0.041 0.000 0.857 222 E CB 0.993 30.703 29.700 0.016 0.000 1.040 222 E HN 0.481 nan 8.360 nan 0.000 0.408 223 R N 3.484 124.011 120.500 0.045 0.000 2.351 223 R HA 0.032 4.371 4.340 -0.000 0.000 0.318 223 R C 0.967 177.296 176.300 0.049 0.000 1.055 223 R CA -0.074 56.054 56.100 0.046 0.000 0.968 223 R CB 0.319 30.639 30.300 0.034 0.000 0.974 223 R HN 0.393 nan 8.270 nan 0.000 0.439 224 M N 4.037 123.674 119.600 0.061 0.000 2.394 224 M HA 0.152 4.632 4.480 -0.000 0.000 0.266 224 M C 0.132 176.459 176.300 0.045 0.000 1.098 224 M CA 0.926 56.262 55.300 0.060 0.000 1.149 224 M CB -0.279 32.372 32.600 0.085 0.000 1.369 224 M HN 0.489 nan 8.290 nan 0.000 0.450 225 L N -0.823 120.426 121.223 0.043 0.000 2.393 225 L HA 0.458 4.798 4.340 -0.000 0.000 0.260 225 L C -2.466 174.425 176.870 0.035 0.000 1.002 225 L CA -2.024 52.836 54.840 0.034 0.000 0.818 225 L CB 2.156 44.235 42.059 0.034 0.000 1.369 225 L HN -0.189 nan 8.230 nan 0.000 0.412 226 P HA 0.043 nan 4.420 nan 0.000 0.268 226 P C 0.446 177.777 177.300 0.052 0.000 1.205 226 P CA -0.183 62.946 63.100 0.048 0.000 0.771 226 P CB 0.941 32.681 31.700 0.068 0.000 0.858 227 S N 2.990 118.717 115.700 0.045 0.000 2.383 227 S HA -0.203 4.267 4.470 -0.000 0.000 0.229 227 S C 1.830 176.463 174.600 0.054 0.000 1.030 227 S CA 1.011 59.236 58.200 0.042 0.000 1.002 227 S CB -1.264 61.955 63.200 0.032 0.000 0.829 227 S HN 0.500 nan 8.310 nan 0.000 0.467 228 I N 1.021 121.630 120.570 0.066 0.000 2.394 228 I HA -0.103 4.067 4.170 -0.000 0.000 0.251 228 I C 2.102 178.353 176.117 0.223 0.000 1.136 228 I CA 1.041 62.392 61.300 0.085 0.000 1.425 228 I CB -0.091 37.912 38.000 0.005 0.000 1.079 228 I HN 0.217 nan 8.210 nan 0.000 0.425 229 V N 1.196 121.236 119.914 0.212 0.000 2.379 229 V HA -0.201 3.918 4.120 -0.000 0.000 0.245 229 V C 2.713 178.815 176.094 0.012 0.000 1.044 229 V CA 1.705 64.069 62.300 0.107 0.000 1.036 229 V CB -0.922 30.886 31.823 -0.025 0.000 0.664 229 V HN 0.559 nan 8.190 nan 0.000 0.453 230 A N 0.010 122.847 122.820 0.029 0.000 1.933 230 A HA -0.241 4.078 4.320 -0.000 0.000 0.218 230 A C 2.416 180.015 177.584 0.025 0.000 1.175 230 A CA 1.948 53.995 52.037 0.017 0.000 0.628 230 A CB -0.558 18.460 19.000 0.029 0.000 0.814 230 A HN 0.465 nan 8.150 nan 0.000 0.444 231 R N -0.451 120.077 120.500 0.047 0.000 2.073 231 R HA -0.190 4.150 4.340 -0.000 0.000 0.234 231 R C 2.371 178.708 176.300 0.062 0.000 1.134 231 R CA 1.856 57.985 56.100 0.049 0.000 0.952 231 R CB -0.253 30.075 30.300 0.047 0.000 0.850 231 R HN 0.417 nan 8.270 nan 0.000 0.433 232 R N 0.433 120.989 120.500 0.093 0.000 2.096 232 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 232 R C 1.972 178.323 176.300 0.085 0.000 1.127 232 R CA 1.706 57.875 56.100 0.115 0.000 0.968 232 R CB -0.786 29.626 30.300 0.186 0.000 0.861 232 R HN 0.144 nan 8.270 nan 0.000 0.440 233 V N -0.186 119.740 119.914 0.020 0.000 2.307 233 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 233 V C 2.294 178.411 176.094 0.038 0.000 1.045 233 V CA 1.795 64.124 62.300 0.049 0.000 1.024 233 V CB -0.334 31.468 31.823 -0.035 0.000 0.651 233 V HN 0.220 nan 8.190 nan 0.000 0.449 234 V N -0.453 119.472 119.914 0.018 0.000 2.427 234 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 234 V C 2.560 178.671 176.094 0.028 0.000 1.051 234 V CA 2.090 64.398 62.300 0.013 0.000 1.048 234 V CB -0.643 31.192 31.823 0.020 0.000 0.666 234 V HN 0.522 nan 8.190 nan 0.000 0.456 235 S N 0.126 115.854 115.700 0.046 0.000 2.359 235 S HA -0.195 4.275 4.470 -0.000 0.000 0.223 235 S C 2.007 176.632 174.600 0.042 0.000 1.039 235 S CA 1.790 60.020 58.200 0.050 0.000 1.042 235 S CB -0.292 62.948 63.200 0.066 0.000 0.915 235 S HN 0.401 nan 8.310 nan 0.000 0.439 236 V N 1.713 121.663 119.914 0.061 0.000 2.515 236 V HA -0.140 3.980 4.120 -0.000 0.000 0.250 236 V C 2.152 178.218 176.094 -0.047 0.000 1.058 236 V CA 1.453 63.765 62.300 0.020 0.000 1.064 236 V CB -0.639 31.219 31.823 0.059 0.000 0.675 236 V HN 0.458 nan 8.190 nan 0.000 0.461 237 M N -0.394 119.183 119.600 -0.039 0.000 2.117 237 M HA -0.165 4.314 4.480 -0.000 0.000 0.262 237 M C 2.259 178.521 176.300 -0.064 0.000 1.065 237 M CA 2.052 57.303 55.300 -0.082 0.000 1.114 237 M CB -0.581 31.981 32.600 -0.065 0.000 1.361 237 M HN 0.365 nan 8.290 nan 0.000 0.408 238 T N -0.017 114.533 114.554 -0.007 0.000 2.770 238 T HA -0.095 4.255 4.350 -0.000 0.000 0.263 238 T C 1.943 176.657 174.700 0.022 0.000 1.039 238 T CA 1.797 63.918 62.100 0.036 0.000 1.142 238 T CB -0.290 68.611 68.868 0.055 0.000 0.868 238 T HN 0.548 nan 8.240 nan 0.000 0.435 239 S N 0.825 116.525 115.700 -0.001 0.000 2.414 239 S HA 0.048 4.517 4.470 -0.000 0.000 0.227 239 S C 1.904 176.474 174.600 -0.050 0.000 1.022 239 S CA 0.862 59.059 58.200 -0.006 0.000 0.958 239 S CB -0.073 63.127 63.200 -0.000 0.000 0.797 239 S HN 0.333 nan 8.310 nan 0.000 0.493 240 S N 0.036 115.670 115.700 -0.111 0.000 2.649 240 S HA 0.378 4.848 4.470 -0.000 0.000 0.246 240 S C 1.798 176.174 174.600 -0.373 0.000 1.057 240 S CA 0.010 58.092 58.200 -0.198 0.000 1.051 240 S CB 0.202 63.290 63.200 -0.186 0.000 1.018 240 S HN 0.613 nan 8.310 nan 0.000 0.569 241 G N 2.315 110.921 108.800 -0.323 0.000 2.505 241 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 241 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 241 G C 0.976 175.538 174.900 -0.564 0.000 1.145 241 G CA 0.941 45.790 45.100 -0.419 0.000 0.761 241 G HN 0.373 nan 8.290 nan 0.000 0.571 242 M N 0.424 119.764 119.600 -0.432 0.000 2.637 242 M HA 0.333 4.813 4.480 -0.000 0.000 0.286 242 M C 0.210 176.516 176.300 0.009 0.000 1.246 242 M CA -1.414 53.720 55.300 -0.278 0.000 0.978 242 M CB -1.355 31.004 32.600 -0.401 0.000 1.417 242 M HN 0.354 nan 8.290 nan 0.000 0.487 243 Y N -0.276 119.965 120.300 -0.098 0.000 2.845 243 Y HA -0.445 4.105 4.550 -0.000 0.000 0.468 243 Y C 1.519 177.399 175.900 -0.032 0.000 1.163 243 Y CA 1.635 59.699 58.100 -0.060 0.000 2.636 243 Y CB -1.428 36.997 38.460 -0.057 0.000 1.194 243 Y HN 0.269 nan 8.280 nan 0.000 0.626 244 D N 0.373 120.887 120.400 0.191 0.000 2.350 244 D HA 0.070 4.709 4.640 -0.000 0.000 0.216 244 D C 1.484 177.839 176.300 0.090 0.000 0.968 244 D CA 1.238 55.296 54.000 0.097 0.000 0.894 244 D CB -0.304 40.535 40.800 0.064 0.000 0.909 244 D HN 0.501 nan 8.370 nan 0.000 0.520 245 A N 0.173 123.060 122.820 0.112 0.000 2.379 245 A HA 0.445 4.765 4.320 -0.000 0.000 0.236 245 A C 2.039 179.718 177.584 0.157 0.000 1.272 245 A CA 0.531 52.643 52.037 0.125 0.000 0.886 245 A CB 0.135 19.215 19.000 0.133 0.000 0.962 245 A HN 0.117 nan 8.150 nan 0.000 0.504 246 A N 0.191 123.078 122.820 0.111 0.000 1.883 246 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 246 A C 2.307 179.996 177.584 0.175 0.000 1.186 246 A CA 2.002 54.112 52.037 0.121 0.000 0.624 246 A CB -1.227 17.799 19.000 0.043 0.000 0.822 246 A HN 0.712 nan 8.150 nan 0.000 0.444 247 G N -0.759 108.116 108.800 0.124 0.000 2.514 247 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.217 247 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.217 247 G C 1.642 176.620 174.900 0.130 0.000 1.198 247 G CA 1.225 46.392 45.100 0.110 0.000 0.780 247 G HN 0.554 nan 8.290 nan 0.000 0.565 248 Q N -0.362 119.519 119.800 0.135 0.000 2.096 248 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 248 Q C 2.240 178.333 176.000 0.155 0.000 0.982 248 Q CA 1.672 57.551 55.803 0.127 0.000 0.850 248 Q CB -0.595 28.218 28.738 0.125 0.000 0.901 248 Q HN 0.724 nan 8.270 nan 0.000 0.422 249 W N 1.194 122.516 121.300 0.036 0.000 2.358 249 W HA -0.195 4.465 4.660 -0.000 0.000 0.303 249 W C 1.934 178.465 176.519 0.019 0.000 1.208 249 W CA 1.012 58.374 57.345 0.028 0.000 1.274 249 W CB -0.538 28.935 29.460 0.022 0.000 1.138 249 W HN 0.243 nan 8.180 nan 0.000 0.515 250 L N 1.085 122.422 121.223 0.190 0.000 2.012 250 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 250 L C 2.614 179.521 176.870 0.062 0.000 1.073 250 L CA 2.214 57.108 54.840 0.091 0.000 0.748 250 L CB -1.006 41.133 42.059 0.132 0.000 0.891 250 L HN -0.018 nan 8.230 nan 0.000 0.431 251 A N -0.252 122.628 122.820 0.100 0.000 1.845 251 A HA -0.239 4.081 4.320 -0.000 0.000 0.215 251 A C 1.851 179.516 177.584 0.134 0.000 1.195 251 A CA 1.924 54.041 52.037 0.134 0.000 0.616 251 A CB -0.733 18.309 19.000 0.071 0.000 0.832 251 A HN 0.493 nan 8.150 nan 0.000 0.443 252 D N -0.880 119.520 120.400 0.000 0.000 2.219 252 D HA -0.034 4.606 4.640 -0.000 0.000 0.205 252 D C 1.835 178.024 176.300 -0.185 0.000 0.970 252 D CA 1.492 55.452 54.000 -0.067 0.000 0.851 252 D CB 0.061 40.812 40.800 -0.082 0.000 0.943 252 D HN 0.281 nan 8.370 nan 0.000 0.488 253 V N -1.024 118.631 119.914 -0.432 0.000 2.996 253 V HA 0.239 4.358 4.120 -0.000 0.000 0.235 253 V C 1.656 177.374 176.094 -0.627 0.000 1.205 253 V CA 0.685 62.601 62.300 -0.640 0.000 1.225 253 V CB 0.202 31.165 31.823 -1.433 0.000 0.995 253 V HN 0.238 nan 8.190 nan 0.000 0.484 254 G N 1.326 109.690 108.800 -0.728 0.000 2.168 254 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.257 254 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.257 254 G C 0.045 174.668 174.900 -0.461 0.000 0.997 254 G CA 0.615 45.132 45.100 -0.972 0.000 0.708 254 G HN 0.510 nan 8.290 nan 0.000 0.520 255 I N 0.998 121.436 120.570 -0.220 0.000 2.382 255 I HA 0.270 4.440 4.170 -0.000 0.000 0.285 255 I C -2.274 174.010 176.117 0.278 0.000 1.007 255 I CA -2.483 58.837 61.300 0.034 0.000 1.142 255 I CB 2.048 40.094 38.000 0.077 0.000 1.289 255 I HN -0.192 nan 8.210 nan 0.000 0.453 256 P HA 0.106 nan 4.420 nan 0.000 0.262 256 P C -0.614 176.776 177.300 0.150 0.000 1.199 256 P CA 0.300 63.495 63.100 0.158 0.000 0.763 256 P CB 0.647 32.391 31.700 0.074 0.000 0.790 257 A N 3.143 126.018 122.820 0.092 0.000 2.593 257 A HA 0.854 5.174 4.320 -0.000 0.000 0.290 257 A C -1.155 176.338 177.584 -0.151 0.000 1.126 257 A CA -0.557 51.487 52.037 0.012 0.000 0.695 257 A CB 1.729 20.803 19.000 0.123 0.000 1.290 257 A HN 0.311 nan 8.150 nan 0.000 0.414 258 K N -0.009 120.331 120.400 -0.100 0.000 2.565 258 K HA 0.581 4.900 4.320 -0.000 0.000 0.251 258 K C -0.891 175.693 176.600 -0.027 0.000 0.956 258 K CA 0.099 56.317 56.287 -0.114 0.000 0.809 258 K CB 1.937 34.379 32.500 -0.097 0.000 1.267 258 K HN 0.949 nan 8.250 nan 0.000 0.438 259 S N 1.954 117.639 115.700 -0.026 0.000 2.651 259 S HA 0.870 5.340 4.470 -0.000 0.000 0.291 259 S C -0.333 174.320 174.600 0.088 0.000 1.141 259 S CA -0.175 58.049 58.200 0.040 0.000 1.027 259 S CB 0.999 64.206 63.200 0.011 0.000 1.043 259 S HN 0.723 nan 8.310 nan 0.000 0.530 260 G N 0.426 109.297 108.800 0.118 0.000 2.482 260 G HA2 0.474 4.434 3.960 -0.000 0.000 0.317 260 G HA3 0.474 4.434 3.960 -0.000 0.000 0.317 260 G C 0.673 175.650 174.900 0.129 0.000 1.241 260 G CA -0.322 44.863 45.100 0.141 0.000 0.967 260 G HN 1.300 nan 8.290 nan 0.000 0.482 261 V N -0.995 119.001 119.914 0.137 0.000 3.383 261 V HA 0.196 4.316 4.120 -0.000 0.000 0.272 261 V C 1.884 178.064 176.094 0.142 0.000 1.181 261 V CA 1.895 64.281 62.300 0.143 0.000 1.171 261 V CB -0.401 31.544 31.823 0.204 0.000 0.800 261 V HN 0.834 nan 8.190 nan 0.000 0.515 262 A N -0.249 122.664 122.820 0.155 0.000 2.308 262 A HA 0.595 4.914 4.320 -0.000 0.000 0.217 262 A C 1.924 179.597 177.584 0.149 0.000 1.216 262 A CA 0.788 52.925 52.037 0.168 0.000 0.864 262 A CB -0.125 19.022 19.000 0.246 0.000 0.902 262 A HN 1.573 nan 8.150 nan 0.000 0.499 263 G N -1.917 106.930 108.800 0.079 0.000 2.192 263 G HA2 0.013 3.973 3.960 -0.000 0.000 0.193 263 G HA3 0.013 3.973 3.960 -0.000 0.000 0.193 263 G C 0.597 175.494 174.900 -0.004 0.000 0.999 263 G CA -0.031 45.080 45.100 0.017 0.000 0.659 263 G HN 1.312 nan 8.290 nan 0.000 0.503 264 G N -0.333 108.429 108.800 -0.063 0.000 2.372 264 G HA2 0.645 4.605 3.960 -0.000 0.000 0.283 264 G HA3 0.645 4.605 3.960 -0.000 0.000 0.283 264 G C -0.458 174.542 174.900 0.166 0.000 1.177 264 G CA 0.018 45.135 45.100 0.029 0.000 0.842 264 G HN 0.985 nan 8.290 nan 0.000 0.503 265 V N 3.826 123.850 119.914 0.183 0.000 2.483 265 V HA 0.363 4.483 4.120 -0.000 0.000 0.297 265 V C 0.009 176.215 176.094 0.187 0.000 1.027 265 V CA -0.901 61.494 62.300 0.158 0.000 0.855 265 V CB 1.618 33.528 31.823 0.144 0.000 0.995 265 V HN 0.692 nan 8.190 nan 0.000 0.424 266 L N 4.200 125.521 121.223 0.163 0.000 2.312 266 L HA 0.861 5.201 4.340 -0.000 0.000 0.281 266 L C 0.343 177.296 176.870 0.139 0.000 1.070 266 L CA 0.126 55.069 54.840 0.172 0.000 0.805 266 L CB 1.411 43.575 42.059 0.176 0.000 1.174 266 L HN 0.820 nan 8.230 nan 0.000 0.434 267 G N 3.139 112.029 108.800 0.150 0.000 2.591 267 G HA2 0.727 4.687 3.960 -0.000 0.000 0.306 267 G HA3 0.727 4.687 3.960 -0.000 0.000 0.306 267 G C -1.613 173.356 174.900 0.115 0.000 1.334 267 G CA -0.358 44.828 45.100 0.144 0.000 0.981 267 G HN 0.851 nan 8.290 nan 0.000 0.491 268 A N 1.629 124.506 122.820 0.094 0.000 2.530 268 A HA 0.599 4.919 4.320 -0.000 0.000 0.279 268 A C -1.492 176.128 177.584 0.060 0.000 1.109 268 A CA -0.470 51.608 52.037 0.069 0.000 0.763 268 A CB 1.374 20.402 19.000 0.048 0.000 1.257 268 A HN 1.128 nan 8.150 nan 0.000 0.424 269 L N 4.267 125.523 121.223 0.054 0.000 2.294 269 L HA 0.594 4.934 4.340 -0.000 0.000 0.283 269 L C -2.615 174.277 176.870 0.036 0.000 1.015 269 L CA -1.877 52.989 54.840 0.044 0.000 0.831 269 L CB 1.270 43.354 42.059 0.042 0.000 1.217 269 L HN 0.328 nan 8.230 nan 0.000 0.420 270 P HA 0.144 nan 4.420 nan 0.000 0.260 270 P C 0.776 178.094 177.300 0.031 0.000 1.172 270 P CA 1.306 64.426 63.100 0.032 0.000 0.760 270 P CB 0.512 32.233 31.700 0.035 0.000 0.773 271 G N 3.254 112.070 108.800 0.026 0.000 2.212 271 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.266 271 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.266 271 G C 1.086 175.996 174.900 0.017 0.000 0.978 271 G CA 0.588 45.702 45.100 0.023 0.000 0.632 271 G HN 0.515 nan 8.290 nan 0.000 0.537 272 R N -1.597 118.913 120.500 0.016 0.000 2.437 272 R HA 0.687 5.027 4.340 -0.000 0.000 0.184 272 R C 0.374 176.676 176.300 0.003 0.000 0.850 272 R CA 0.906 57.010 56.100 0.007 0.000 1.073 272 R CB 1.008 31.311 30.300 0.006 0.000 1.336 272 R HN 0.810 nan 8.270 nan 0.000 0.640 273 V N -0.816 119.107 119.914 0.016 0.000 3.225 273 V HA 0.709 4.829 4.120 -0.000 0.000 0.293 273 V C -1.647 174.469 176.094 0.038 0.000 1.405 273 V CA -0.762 61.550 62.300 0.019 0.000 1.038 273 V CB 2.100 33.937 31.823 0.023 0.000 1.123 273 V HN 0.280 nan 8.190 nan 0.000 0.447 274 G N 3.683 112.505 108.800 0.036 0.000 2.415 274 G HA2 0.729 4.689 3.960 -0.000 0.000 0.327 274 G HA3 0.729 4.689 3.960 -0.000 0.000 0.327 274 G C -1.186 173.761 174.900 0.079 0.000 1.182 274 G CA -0.531 44.602 45.100 0.055 0.000 0.924 274 G HN 0.712 nan 8.290 nan 0.000 0.470 275 I N 1.293 121.929 120.570 0.109 0.000 2.509 275 I HA 0.603 4.773 4.170 -0.000 0.000 0.293 275 I C 0.362 176.570 176.117 0.152 0.000 1.020 275 I CA -0.863 60.517 61.300 0.134 0.000 1.088 275 I CB 2.592 40.685 38.000 0.155 0.000 1.267 275 I HN 0.579 nan 8.210 nan 0.000 0.430 276 G N 5.247 114.141 108.800 0.156 0.000 2.666 276 G HA2 0.673 4.633 3.960 -0.000 0.000 0.303 276 G HA3 0.673 4.633 3.960 -0.000 0.000 0.303 276 G C -1.340 173.680 174.900 0.200 0.000 1.412 276 G CA -0.340 44.873 45.100 0.187 0.000 0.979 276 G HN 0.337 nan 8.290 nan 0.000 0.507 277 V N 1.973 122.026 119.914 0.232 0.000 2.876 277 V HA 0.724 4.844 4.120 -0.000 0.000 0.312 277 V C -1.375 174.881 176.094 0.271 0.000 1.085 277 V CA -0.932 61.507 62.300 0.233 0.000 0.945 277 V CB 2.039 34.003 31.823 0.235 0.000 1.017 277 V HN 0.728 nan 8.190 nan 0.000 0.428 278 F N 2.585 122.571 119.950 0.059 0.000 2.557 278 F HA 0.814 5.341 4.527 -0.000 0.000 0.316 278 F C -0.355 175.478 175.800 0.055 0.000 1.141 278 F CA -0.669 57.251 58.000 -0.132 0.000 0.922 278 F CB 2.030 40.894 39.000 -0.227 0.000 1.194 278 F HN 0.474 nan 8.300 nan 0.000 0.443 279 S N 7.705 123.070 115.700 -0.559 0.000 2.481 279 S HA 0.335 4.804 4.470 -0.000 0.000 0.262 279 S C -2.408 171.906 174.600 -0.476 0.000 1.061 279 S CA -0.770 57.070 58.200 -0.600 0.000 1.039 279 S CB 1.222 64.217 63.200 -0.341 0.000 1.170 279 S HN 0.396 nan 8.310 nan 0.000 0.437 280 P HA -0.151 nan 4.420 nan 0.000 0.214 280 P C -0.139 177.084 177.300 -0.128 0.000 1.172 280 P CA 1.309 64.279 63.100 -0.218 0.000 0.925 280 P CB 0.028 31.620 31.700 -0.181 0.000 0.793 281 R N 0.125 120.535 120.500 -0.149 0.000 2.538 281 R HA 0.111 4.450 4.340 -0.000 0.000 0.282 281 R C 0.140 176.390 176.300 -0.082 0.000 1.009 281 R CA 0.188 56.226 56.100 -0.103 0.000 1.063 281 R CB -0.398 29.832 30.300 -0.117 0.000 0.945 281 R HN 0.198 nan 8.270 nan 0.000 0.414 282 L N 2.202 123.398 121.223 -0.045 0.000 2.334 282 L HA 0.312 4.651 4.340 -0.000 0.000 0.270 282 L C 0.383 177.237 176.870 -0.027 0.000 1.018 282 L CA -1.069 53.755 54.840 -0.026 0.000 0.811 282 L CB 1.314 43.372 42.059 -0.000 0.000 1.271 282 L HN 0.652 nan 8.230 nan 0.000 0.443 283 D N -0.165 120.223 120.400 -0.020 0.000 2.403 283 D HA -0.000 4.639 4.640 -0.000 0.000 0.278 283 D C 0.840 177.131 176.300 -0.015 0.000 1.230 283 D CA -0.446 53.544 54.000 -0.016 0.000 1.062 283 D CB 0.203 41.001 40.800 -0.003 0.000 1.119 283 D HN 0.604 nan 8.370 nan 0.000 0.557 284 E N -0.166 120.027 120.200 -0.013 0.000 2.418 284 E HA -0.116 4.233 4.350 -0.000 0.000 0.197 284 E C 1.419 178.002 176.600 -0.028 0.000 1.026 284 E CA 0.847 57.236 56.400 -0.017 0.000 0.862 284 E CB -0.502 29.190 29.700 -0.013 0.000 0.799 284 E HN 0.403 nan 8.360 nan 0.000 0.518 285 V N -3.627 116.267 119.914 -0.032 0.000 3.319 285 V HA 0.584 4.704 4.120 -0.000 0.000 0.317 285 V C 1.178 177.224 176.094 -0.079 0.000 1.411 285 V CA 0.214 62.475 62.300 -0.064 0.000 1.112 285 V CB -0.045 31.741 31.823 -0.061 0.000 1.031 285 V HN 0.251 nan 8.190 nan 0.000 0.448 286 G N 0.825 109.599 108.800 -0.043 0.000 2.176 286 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 286 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 286 G C 0.040 174.937 174.900 -0.005 0.000 0.979 286 G CA 0.303 45.387 45.100 -0.027 0.000 0.641 286 G HN 0.611 nan 8.290 nan 0.000 0.530 287 N N 0.475 119.171 118.700 -0.007 0.000 2.515 287 N HA 0.452 5.192 4.740 -0.000 0.000 0.279 287 N C 0.330 175.842 175.510 0.003 0.000 1.164 287 N CA 0.329 53.381 53.050 0.004 0.000 0.982 287 N CB 1.429 39.909 38.487 -0.011 0.000 1.170 287 N HN 0.226 nan 8.380 nan 0.000 0.474 288 S N 0.623 116.328 115.700 0.008 0.000 2.509 288 S HA 0.134 4.604 4.470 -0.000 0.000 0.287 288 S C 1.352 175.942 174.600 -0.017 0.000 1.248 288 S CA -0.304 57.887 58.200 -0.014 0.000 1.089 288 S CB 0.108 63.305 63.200 -0.006 0.000 0.900 288 S HN 0.560 nan 8.310 nan 0.000 0.496 289 A N 6.417 129.206 122.820 -0.052 0.000 1.865 289 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 289 A C 2.223 179.767 177.584 -0.067 0.000 1.191 289 A CA 1.693 53.698 52.037 -0.053 0.000 0.623 289 A CB -0.490 18.461 19.000 -0.081 0.000 0.826 289 A HN 0.917 nan 8.150 nan 0.000 0.444 290 R N -0.906 119.496 120.500 -0.163 0.000 2.153 290 R HA 0.052 4.392 4.340 -0.000 0.000 0.218 290 R C 2.327 178.623 176.300 -0.007 0.000 1.072 290 R CA 0.775 56.736 56.100 -0.231 0.000 0.990 290 R CB -0.488 29.372 30.300 -0.735 0.000 0.889 290 R HN 0.528 nan 8.270 nan 0.000 0.452 291 G N 0.841 109.667 108.800 0.042 0.000 2.433 291 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 291 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 291 G C 1.515 176.536 174.900 0.203 0.000 1.186 291 G CA 1.229 46.426 45.100 0.162 0.000 0.779 291 G HN 0.268 nan 8.290 nan 0.000 0.543 292 V N -0.658 119.367 119.914 0.186 0.000 2.427 292 V HA -0.033 4.087 4.120 -0.000 0.000 0.248 292 V C 2.596 178.867 176.094 0.295 0.000 1.051 292 V CA 1.597 64.098 62.300 0.334 0.000 1.048 292 V CB -0.726 31.282 31.823 0.309 0.000 0.666 292 V HN 0.216 nan 8.190 nan 0.000 0.456 293 L N 1.879 123.204 121.223 0.171 0.000 2.093 293 L HA 0.129 4.469 4.340 -0.000 0.000 0.208 293 L C 2.595 179.543 176.870 0.130 0.000 1.085 293 L CA 2.179 57.088 54.840 0.116 0.000 0.755 293 L CB -1.288 40.803 42.059 0.054 0.000 0.904 293 L HN 0.306 nan 8.230 nan 0.000 0.435 294 A N -1.334 121.597 122.820 0.185 0.000 1.933 294 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 294 A C 2.391 180.081 177.584 0.177 0.000 1.175 294 A CA 1.785 53.949 52.037 0.212 0.000 0.628 294 A CB -1.434 17.750 19.000 0.306 0.000 0.814 294 A HN 0.620 nan 8.150 nan 0.000 0.444 295 C N -1.331 118.091 119.300 0.203 0.000 2.446 295 C HA -0.026 4.434 4.460 -0.000 0.000 0.277 295 C C 2.772 177.785 174.990 0.038 0.000 1.275 295 C CA 1.084 60.209 59.018 0.179 0.000 1.727 295 C CB -1.196 26.746 27.740 0.337 0.000 2.010 295 C HN 0.680 nan 8.230 nan 0.000 0.486 296 R N 0.509 121.004 120.500 -0.008 0.000 2.120 296 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 296 R C 2.353 178.635 176.300 -0.031 0.000 1.123 296 R CA 1.110 57.150 56.100 -0.101 0.000 0.975 296 R CB -0.141 30.111 30.300 -0.080 0.000 0.866 296 R HN 0.400 nan 8.270 nan 0.000 0.446 297 R N 0.582 121.098 120.500 0.026 0.000 2.062 297 R HA -0.039 4.300 4.340 -0.000 0.000 0.229 297 R C 2.351 178.668 176.300 0.028 0.000 1.128 297 R CA 0.955 57.076 56.100 0.034 0.000 0.960 297 R CB -0.861 29.475 30.300 0.060 0.000 0.855 297 R HN 0.289 nan 8.270 nan 0.000 0.432 298 L N 0.387 121.653 121.223 0.072 0.000 2.012 298 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 298 L C 2.642 179.550 176.870 0.064 0.000 1.073 298 L CA 1.683 56.570 54.840 0.078 0.000 0.748 298 L CB -0.619 41.568 42.059 0.214 0.000 0.891 298 L HN 0.225 nan 8.230 nan 0.000 0.431 299 S N -0.212 115.512 115.700 0.040 0.000 2.359 299 S HA -0.227 4.243 4.470 -0.000 0.000 0.224 299 S C 1.826 176.443 174.600 0.028 0.000 1.035 299 S CA 1.795 60.009 58.200 0.023 0.000 1.018 299 S CB -0.128 63.031 63.200 -0.068 0.000 0.876 299 S HN 0.479 nan 8.310 nan 0.000 0.448 300 E N 0.354 120.551 120.200 -0.005 0.000 2.047 300 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 300 E C 1.869 178.454 176.600 -0.024 0.000 0.987 300 E CA 1.385 57.780 56.400 -0.007 0.000 0.799 300 E CB -0.252 29.439 29.700 -0.016 0.000 0.752 300 E HN 0.531 nan 8.360 nan 0.000 0.449 301 D N 0.256 120.605 120.400 -0.084 0.000 2.117 301 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 301 D C 1.396 177.575 176.300 -0.201 0.000 0.982 301 D CA 1.011 54.901 54.000 -0.183 0.000 0.828 301 D CB -0.214 40.418 40.800 -0.279 0.000 0.967 301 D HN 0.168 nan 8.370 nan 0.000 0.464 302 F N 0.337 120.220 119.950 -0.110 0.000 2.765 302 F HA 0.145 4.672 4.527 -0.000 0.000 0.302 302 F C 0.230 175.999 175.800 -0.053 0.000 1.111 302 F CA -0.610 57.316 58.000 -0.124 0.000 1.359 302 F CB 0.348 39.263 39.000 -0.143 0.000 1.097 302 F HN -0.374 nan 8.300 nan 0.000 0.577 303 R N 1.413 121.989 120.500 0.127 0.000 3.251 303 R HA -0.175 4.164 4.340 -0.000 0.000 0.249 303 R C -1.038 175.329 176.300 0.112 0.000 0.949 303 R CA 0.371 56.527 56.100 0.092 0.000 0.645 303 R CB -2.692 27.645 30.300 0.063 0.000 1.065 303 R HN 0.381 nan 8.270 nan 0.000 0.452 304 L N 0.827 122.130 121.223 0.132 0.000 2.317 304 L HA 0.545 4.884 4.340 -0.000 0.000 0.281 304 L C 0.510 177.462 176.870 0.137 0.000 1.024 304 L CA -0.535 54.377 54.840 0.119 0.000 0.810 304 L CB 1.707 43.836 42.059 0.118 0.000 1.240 304 L HN 0.226 nan 8.230 nan 0.000 0.427 305 H N 2.526 121.607 119.070 0.018 0.000 3.112 305 H HA 0.089 4.645 4.556 -0.000 0.000 0.347 305 H C -0.160 175.177 175.328 0.015 0.000 1.188 305 H CA -0.629 55.421 56.048 0.003 0.000 1.240 305 H CB 2.085 31.842 29.762 -0.009 0.000 1.920 305 H HN 0.518 nan 8.280 nan 0.000 0.535 306 L N 3.376 124.601 121.223 0.004 0.000 2.127 306 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 306 L C 1.584 178.565 176.870 0.185 0.000 1.089 306 L CA 1.687 56.578 54.840 0.084 0.000 0.757 306 L CB -0.261 41.811 42.059 0.022 0.000 0.899 306 L HN 0.581 nan 8.230 nan 0.000 0.434 307 M N -0.305 119.517 119.600 0.369 0.000 2.639 307 M HA 0.106 4.586 4.480 -0.000 0.000 0.220 307 M C -0.197 176.155 176.300 0.086 0.000 1.155 307 M CA -0.136 55.265 55.300 0.169 0.000 1.003 307 M CB -1.416 31.230 32.600 0.078 0.000 1.725 307 M HN 0.089 nan 8.290 nan 0.000 0.489 308 D N 0.963 121.428 120.400 0.108 0.000 2.390 308 D HA 0.190 4.830 4.640 -0.000 0.000 0.249 308 D C 1.227 177.556 176.300 0.048 0.000 1.144 308 D CA 0.312 54.350 54.000 0.064 0.000 0.880 308 D CB 1.053 41.897 40.800 0.074 0.000 1.182 308 D HN 0.297 nan 8.370 nan 0.000 0.451 309 G N 1.467 110.287 108.800 0.033 0.000 3.414 309 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.258 309 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.258 309 G C 0.389 175.308 174.900 0.033 0.000 1.348 309 G CA -0.274 44.845 45.100 0.032 0.000 1.319 309 G HN 0.283 nan 8.290 nan 0.000 0.555 310 D N 1.120 121.541 120.400 0.035 0.000 2.498 310 D HA 0.260 4.899 4.640 -0.000 0.000 0.229 310 D C -0.006 176.314 176.300 0.034 0.000 1.188 310 D CA 0.248 54.267 54.000 0.031 0.000 1.028 310 D CB -0.045 40.773 40.800 0.030 0.000 1.087 310 D HN 0.059 nan 8.370 nan 0.000 0.510 311 S N 1.717 117.437 115.700 0.034 0.000 2.599 311 S HA 0.233 4.703 4.470 -0.000 0.000 0.294 311 S C 0.904 175.522 174.600 0.031 0.000 1.094 311 S CA -0.773 57.450 58.200 0.037 0.000 0.931 311 S CB 2.030 65.259 63.200 0.048 0.000 1.093 311 S HN 0.314 nan 8.310 nan 0.000 0.488 312 L N 3.196 124.437 121.223 0.029 0.000 2.046 312 L HA 0.124 4.463 4.340 -0.000 0.000 0.208 312 L C 1.477 178.358 176.870 0.018 0.000 1.077 312 L CA 2.629 57.483 54.840 0.023 0.000 0.747 312 L CB -1.518 40.553 42.059 0.019 0.000 0.896 312 L HN 1.066 nan 8.230 nan 0.000 0.432 313 G N -0.939 107.869 108.800 0.014 0.000 2.627 313 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.312 313 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.312 313 G C 1.044 175.941 174.900 -0.003 0.000 1.299 313 G CA 0.513 45.615 45.100 0.004 0.000 0.989 313 G HN 0.885 nan 8.290 nan 0.000 0.547 314 G N -1.442 107.362 108.800 0.006 0.000 2.527 314 G HA2 0.078 4.037 3.960 -0.000 0.000 0.219 314 G HA3 0.078 4.037 3.960 -0.000 0.000 0.219 314 G C 1.639 176.555 174.900 0.027 0.000 1.117 314 G CA 2.032 47.141 45.100 0.015 0.000 0.759 314 G HN 1.045 nan 8.290 nan 0.000 0.556 315 T N 1.224 115.795 114.554 0.029 0.000 3.098 315 T HA 0.139 4.489 4.350 -0.000 0.000 0.266 315 T C 2.577 177.295 174.700 0.030 0.000 1.145 315 T CA 0.804 62.927 62.100 0.039 0.000 1.092 315 T CB -0.085 68.805 68.868 0.037 0.000 0.908 315 T HN 0.384 nan 8.240 nan 0.000 0.526 316 A N 0.910 123.737 122.820 0.011 0.000 2.125 316 A HA 0.096 4.416 4.320 -0.000 0.000 0.219 316 A C 1.178 178.761 177.584 -0.003 0.000 1.156 316 A CA 0.583 52.620 52.037 0.000 0.000 0.671 316 A CB -0.204 18.784 19.000 -0.021 0.000 0.794 316 A HN 0.363 nan 8.150 nan 0.000 0.459 317 V N 0.807 120.722 119.914 0.002 0.000 2.288 317 V HA 0.171 4.291 4.120 -0.000 0.000 0.266 317 V C 1.396 177.506 176.094 0.027 0.000 1.048 317 V CA -0.348 61.946 62.300 -0.010 0.000 0.842 317 V CB 0.537 32.348 31.823 -0.019 0.000 1.064 317 V HN 0.621 nan 8.190 nan 0.000 0.472 318 R N 3.952 124.473 120.500 0.036 0.000 2.080 318 R HA -0.063 4.276 4.340 -0.000 0.000 0.236 318 R C 0.377 176.832 176.300 0.258 0.000 1.137 318 R CA 2.012 58.199 56.100 0.144 0.000 0.943 318 R CB 0.208 30.628 30.300 0.200 0.000 0.846 318 R HN 0.684 nan 8.270 nan 0.000 0.431 319 F N -4.482 115.492 119.950 0.040 0.000 2.807 319 F HA 0.500 5.027 4.527 -0.000 0.000 0.316 319 F C -1.731 174.093 175.800 0.041 0.000 1.162 319 F CA -1.478 56.525 58.000 0.005 0.000 0.910 319 F CB 1.228 40.206 39.000 -0.037 0.000 1.314 319 F HN -0.354 nan 8.300 nan 0.000 0.454 320 V N 1.492 121.515 119.914 0.182 0.000 2.443 320 V HA 0.416 4.536 4.120 -0.000 0.000 0.293 320 V C -0.826 175.405 176.094 0.228 0.000 1.021 320 V CA -0.568 61.795 62.300 0.106 0.000 0.848 320 V CB 1.409 33.238 31.823 0.011 0.000 0.998 320 V HN 0.786 nan 8.190 nan 0.000 0.424 321 E N 3.237 123.621 120.200 0.306 0.000 2.166 321 E HA 0.538 4.888 4.350 -0.000 0.000 0.275 321 E C -0.515 176.260 176.600 0.293 0.000 0.941 321 E CA -0.963 55.631 56.400 0.323 0.000 0.784 321 E CB 2.186 32.129 29.700 0.404 0.000 1.115 321 E HN 0.455 nan 8.360 nan 0.000 0.399 322 R N 2.817 123.435 120.500 0.196 0.000 2.396 322 R HA 0.092 4.432 4.340 -0.000 0.000 0.292 322 R C 0.377 176.771 176.300 0.156 0.000 1.240 322 R CA -0.111 56.078 56.100 0.147 0.000 1.270 322 R CB 0.077 30.425 30.300 0.080 0.000 1.108 322 R HN 0.434 nan 8.270 nan 0.000 0.573 323 E N 1.689 122.035 120.200 0.243 0.000 2.072 323 E HA 0.083 4.433 4.350 -0.000 0.000 0.191 323 E C 0.625 177.302 176.600 0.129 0.000 0.985 323 E CA 1.925 58.450 56.400 0.208 0.000 0.801 323 E CB 0.297 30.216 29.700 0.365 0.000 0.750 323 E HN 0.719 nan 8.360 nan 0.000 0.452 324 G N -0.606 108.259 108.800 0.109 0.000 3.504 324 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.157 324 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.157 324 G C -0.043 174.879 174.900 0.036 0.000 1.245 324 G CA 0.279 45.417 45.100 0.063 0.000 1.410 324 G HN 0.240 nan 8.290 nan 0.000 0.731 325 D N 0.745 121.157 120.400 0.020 0.000 2.350 325 D HA 0.072 4.711 4.640 -0.000 0.000 0.213 325 D C 0.925 177.204 176.300 -0.034 0.000 1.031 325 D CA -0.056 53.942 54.000 -0.004 0.000 0.861 325 D CB 0.470 41.266 40.800 -0.006 0.000 0.926 325 D HN 0.587 nan 8.370 nan 0.000 0.520 326 R N -0.068 120.405 120.500 -0.045 0.000 2.778 326 R HA 0.658 4.998 4.340 -0.000 0.000 0.277 326 R C -1.195 174.997 176.300 -0.181 0.000 0.977 326 R CA -0.893 55.116 56.100 -0.152 0.000 0.950 326 R CB 1.982 32.146 30.300 -0.227 0.000 1.165 326 R HN -0.190 nan 8.270 nan 0.000 0.474 327 V N 2.178 121.915 119.914 -0.296 0.000 2.656 327 V HA 0.468 4.588 4.120 -0.000 0.000 0.307 327 V C -1.147 174.722 176.094 -0.376 0.000 1.051 327 V CA -0.741 61.441 62.300 -0.196 0.000 0.893 327 V CB 1.618 33.389 31.823 -0.088 0.000 0.999 327 V HN 0.598 nan 8.190 nan 0.000 0.426 328 F N 4.770 124.740 119.950 0.032 0.000 2.402 328 F HA 0.632 5.159 4.527 -0.000 0.000 0.355 328 F C -0.277 175.510 175.800 -0.023 0.000 1.123 328 F CA -0.588 57.433 58.000 0.035 0.000 1.021 328 F CB 1.596 40.705 39.000 0.181 0.000 1.160 328 F HN 0.277 nan 8.300 nan 0.000 0.451 329 L N 5.031 126.245 121.223 -0.014 0.000 2.298 329 L HA 0.520 4.859 4.340 -0.000 0.000 0.284 329 L C -1.142 175.563 176.870 -0.276 0.000 1.013 329 L CA -0.475 54.291 54.840 -0.123 0.000 0.824 329 L CB 0.264 42.252 42.059 -0.117 0.000 1.221 329 L HN 0.466 nan 8.230 nan 0.000 0.418 330 H N 4.960 123.733 119.070 -0.494 0.000 2.467 330 H HA 0.633 5.189 4.556 -0.000 0.000 0.326 330 H C -0.624 174.554 175.328 -0.251 0.000 1.094 330 H CA -0.324 55.466 56.048 -0.431 0.000 1.253 330 H CB 1.280 30.583 29.762 -0.765 0.000 1.439 330 H HN 0.541 nan 8.280 nan 0.000 0.479 331 L N 2.804 123.982 121.223 -0.076 0.000 2.332 331 L HA 0.562 4.902 4.340 -0.000 0.000 0.269 331 L C -0.041 176.834 176.870 0.008 0.000 1.016 331 L CA -0.858 53.959 54.840 -0.038 0.000 0.809 331 L CB 1.570 43.596 42.059 -0.055 0.000 1.280 331 L HN 0.703 nan 8.230 nan 0.000 0.447 332 Q N 0.325 120.134 119.800 0.015 0.000 2.685 332 Q HA 0.675 5.015 4.340 -0.000 0.000 0.301 332 Q C -0.284 175.729 176.000 0.023 0.000 0.924 332 Q CA -0.405 55.417 55.803 0.032 0.000 0.755 332 Q CB 2.158 30.929 28.738 0.056 0.000 1.470 332 Q HN 0.815 nan 8.270 nan 0.000 0.434 333 G N -0.404 108.412 108.800 0.027 0.000 2.693 333 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.226 333 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.226 333 G C -0.862 174.048 174.900 0.017 0.000 1.354 333 G CA -0.390 44.724 45.100 0.023 0.000 0.873 333 G HN 0.931 nan 8.290 nan 0.000 0.562 334 V N 1.056 120.981 119.914 0.018 0.000 2.339 334 V HA 0.409 4.529 4.120 -0.000 0.000 0.261 334 V C 0.892 176.995 176.094 0.015 0.000 1.058 334 V CA -0.081 62.230 62.300 0.018 0.000 0.897 334 V CB 0.628 32.464 31.823 0.022 0.000 1.052 334 V HN 0.539 nan 8.190 nan 0.000 0.480 335 I N 6.750 127.325 120.570 0.009 0.000 2.312 335 I HA 0.453 4.623 4.170 -0.000 0.000 0.291 335 I C 0.717 176.840 176.117 0.011 0.000 1.031 335 I CA 0.018 61.319 61.300 0.001 0.000 1.293 335 I CB 0.502 38.494 38.000 -0.014 0.000 1.403 335 I HN 0.602 nan 8.210 nan 0.000 0.484 336 R N 3.419 123.932 120.500 0.021 0.000 3.328 336 R HA 0.378 4.718 4.340 -0.000 0.000 0.232 336 R C 0.795 177.132 176.300 0.062 0.000 1.606 336 R CA -0.797 55.337 56.100 0.056 0.000 1.025 336 R CB 0.253 30.602 30.300 0.081 0.000 1.701 336 R HN 0.389 nan 8.270 nan 0.000 0.526 337 F N 1.657 121.607 119.950 0.001 0.000 2.043 337 F HA -0.214 4.312 4.527 -0.000 0.000 0.297 337 F C 1.947 177.749 175.800 0.002 0.000 1.118 337 F CA 2.519 60.519 58.000 0.000 0.000 1.202 337 F CB -0.918 38.082 39.000 0.000 0.000 0.965 337 F HN 0.658 nan 8.300 nan 0.000 0.482 338 G N -0.660 108.154 108.800 0.024 0.000 2.513 338 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.219 338 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.219 338 G C 1.862 176.666 174.900 -0.160 0.000 1.160 338 G CA 0.991 46.051 45.100 -0.066 0.000 0.767 338 G HN 0.710 nan 8.290 nan 0.000 0.571 339 G N 0.648 109.386 108.800 -0.104 0.000 2.396 339 G HA2 0.175 4.134 3.960 -0.000 0.000 0.214 339 G HA3 0.175 4.134 3.960 -0.000 0.000 0.214 339 G C 2.062 176.880 174.900 -0.137 0.000 1.166 339 G CA 1.310 46.355 45.100 -0.091 0.000 0.793 339 G HN 0.672 nan 8.290 nan 0.000 0.533 340 A N 0.730 123.449 122.820 -0.169 0.000 1.940 340 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 340 A C 2.175 179.615 177.584 -0.240 0.000 1.176 340 A CA 2.074 54.007 52.037 -0.172 0.000 0.631 340 A CB -0.404 18.507 19.000 -0.148 0.000 0.814 340 A HN 0.338 nan 8.150 nan 0.000 0.446 341 E N 0.453 120.403 120.200 -0.418 0.000 2.058 341 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 341 E C 2.205 178.675 176.600 -0.217 0.000 0.997 341 E CA 1.456 57.601 56.400 -0.424 0.000 0.801 341 E CB -0.382 28.899 29.700 -0.698 0.000 0.746 341 E HN 0.476 nan 8.360 nan 0.000 0.450 342 A N 0.616 123.330 122.820 -0.177 0.000 1.902 342 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 342 A C 2.597 180.133 177.584 -0.080 0.000 1.181 342 A CA 1.507 53.486 52.037 -0.096 0.000 0.623 342 A CB -0.673 18.287 19.000 -0.067 0.000 0.818 342 A HN 0.195 nan 8.150 nan 0.000 0.443 343 V N 0.257 120.115 119.914 -0.093 0.000 2.407 343 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 343 V C 2.548 178.597 176.094 -0.075 0.000 1.055 343 V CA 1.886 64.139 62.300 -0.078 0.000 1.049 343 V CB -0.729 31.045 31.823 -0.081 0.000 0.662 343 V HN 0.572 nan 8.190 nan 0.000 0.455 344 L N 0.801 121.972 121.223 -0.086 0.000 2.046 344 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 344 L C 2.204 179.042 176.870 -0.053 0.000 1.077 344 L CA 2.033 56.831 54.840 -0.070 0.000 0.747 344 L CB -0.846 41.167 42.059 -0.077 0.000 0.896 344 L HN 0.527 nan 8.230 nan 0.000 0.432 345 D N -0.259 120.109 120.400 -0.052 0.000 2.347 345 D HA -0.043 4.597 4.640 -0.000 0.000 0.215 345 D C 1.907 178.190 176.300 -0.029 0.000 0.976 345 D CA 0.797 54.777 54.000 -0.034 0.000 0.884 345 D CB -0.038 40.746 40.800 -0.026 0.000 0.915 345 D HN 0.225 nan 8.370 nan 0.000 0.526 346 A N 0.863 123.660 122.820 -0.038 0.000 1.872 346 A HA 0.001 4.321 4.320 -0.000 0.000 0.214 346 A C 2.171 179.732 177.584 -0.039 0.000 1.187 346 A CA 0.726 52.740 52.037 -0.037 0.000 0.614 346 A CB -0.767 18.204 19.000 -0.047 0.000 0.826 346 A HN 0.244 nan 8.150 nan 0.000 0.442 347 L N -0.704 120.492 121.223 -0.045 0.000 2.046 347 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 347 L C 2.660 179.509 176.870 -0.035 0.000 1.077 347 L CA 1.761 56.575 54.840 -0.045 0.000 0.747 347 L CB -1.055 40.974 42.059 -0.049 0.000 0.896 347 L HN 0.299 nan 8.230 nan 0.000 0.432 348 T N -1.249 113.287 114.554 -0.030 0.000 2.915 348 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 348 T C 1.233 175.922 174.700 -0.017 0.000 1.071 348 T CA 1.080 63.167 62.100 -0.022 0.000 1.132 348 T CB -0.216 68.641 68.868 -0.018 0.000 0.878 348 T HN 0.242 nan 8.240 nan 0.000 0.479 349 D N 0.832 121.222 120.400 -0.017 0.000 2.363 349 D HA 0.088 4.728 4.640 -0.000 0.000 0.226 349 D C 0.189 176.481 176.300 -0.013 0.000 1.020 349 D CA 0.318 54.312 54.000 -0.011 0.000 0.892 349 D CB -0.089 40.706 40.800 -0.007 0.000 0.900 349 D HN 0.363 nan 8.370 nan 0.000 0.531 350 L N 1.438 122.649 121.223 -0.020 0.000 2.287 350 L HA 0.317 4.657 4.340 -0.000 0.000 0.280 350 L C 0.350 177.208 176.870 -0.020 0.000 1.055 350 L CA -0.436 54.390 54.840 -0.022 0.000 0.863 350 L CB 0.736 42.775 42.059 -0.032 0.000 1.245 350 L HN -0.375 nan 8.230 nan 0.000 0.432 351 R N 1.260 121.752 120.500 -0.014 0.000 3.491 351 R HA -0.016 4.324 4.340 -0.000 0.000 0.186 351 R C 1.170 177.461 176.300 -0.015 0.000 1.737 351 R CA 0.049 56.142 56.100 -0.012 0.000 1.218 351 R CB -0.571 29.724 30.300 -0.008 0.000 1.301 351 R HN 0.563 nan 8.270 nan 0.000 0.703 352 T N -2.300 112.243 114.554 -0.019 0.000 3.317 352 T HA 0.159 4.509 4.350 -0.000 0.000 0.250 352 T C 0.841 175.530 174.700 -0.017 0.000 1.106 352 T CA -0.016 62.072 62.100 -0.021 0.000 0.986 352 T CB 0.521 69.372 68.868 -0.028 0.000 1.010 352 T HN 0.453 nan 8.240 nan 0.000 0.560 382 A N -0.313 122.487 122.820 -0.034 0.000 2.216 382 A HA 0.236 4.556 4.320 -0.000 0.000 0.214 382 A C 1.714 179.290 177.584 -0.012 0.000 1.160 382 A CA 2.385 54.410 52.037 -0.020 0.000 0.725 382 A CB -0.523 18.465 19.000 -0.019 0.000 0.784 382 A HN 0.452 nan 8.150 nan 0.000 0.472 383 T N -2.434 112.112 114.554 -0.013 0.000 2.964 383 T HA 0.405 4.755 4.350 -0.000 0.000 0.249 383 T C 1.122 175.824 174.700 0.003 0.000 1.000 383 T CA 0.924 63.023 62.100 -0.003 0.000 0.992 383 T CB 0.498 69.365 68.868 -0.001 0.000 1.087 383 T HN 1.328 nan 8.240 nan 0.000 0.489 384 G N 0.896 109.695 108.800 -0.001 0.000 2.167 384 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.194 384 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.194 384 G C 0.906 175.818 174.900 0.020 0.000 1.027 384 G CA 0.170 45.275 45.100 0.009 0.000 0.717 384 G HN 0.611 nan 8.290 nan 0.000 0.501 385 G N -0.424 108.387 108.800 0.020 0.000 2.535 385 G HA2 0.406 4.366 3.960 -0.000 0.000 0.218 385 G HA3 0.406 4.366 3.960 -0.000 0.000 0.218 385 G C 1.978 176.928 174.900 0.083 0.000 1.122 385 G CA 1.776 46.904 45.100 0.047 0.000 0.769 385 G HN 2.138 nan 8.290 nan 0.000 0.549 386 G N -0.040 108.807 108.800 0.079 0.000 2.687 386 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.303 386 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.303 386 G C 1.247 176.277 174.900 0.217 0.000 1.209 386 G CA 1.566 46.731 45.100 0.107 0.000 0.968 386 G HN 1.401 nan 8.290 nan 0.000 0.549 387 A N -1.021 121.913 122.820 0.191 0.000 2.456 387 A HA 0.644 4.964 4.320 -0.000 0.000 0.237 387 A C 1.180 178.739 177.584 -0.041 0.000 1.217 387 A CA 1.291 53.412 52.037 0.139 0.000 0.962 387 A CB 0.564 19.601 19.000 0.062 0.000 1.079 387 A HN 1.405 nan 8.150 nan 0.000 0.536 388 V N 3.604 123.572 119.914 0.091 0.000 1.959 388 V HA 0.058 4.178 4.120 -0.000 0.000 0.242 388 V C 1.054 177.211 176.094 0.105 0.000 1.613 388 V CA 1.200 63.521 62.300 0.035 0.000 1.566 388 V CB -1.831 30.012 31.823 0.033 0.000 1.547 388 V HN 0.801 nan 8.190 nan 0.000 0.503 389 H N -0.570 118.511 119.070 0.018 0.000 3.943 389 H HA 0.202 4.758 4.556 -0.000 0.000 0.265 389 H C 1.008 176.350 175.328 0.024 0.000 1.133 389 H CA 0.121 56.180 56.048 0.017 0.000 1.188 389 H CB 0.398 30.171 29.762 0.017 0.000 1.486 389 H HN 0.498 nan 8.280 nan 0.000 0.795 390 E N 1.472 121.389 120.200 -0.472 0.000 2.385 390 E HA 0.221 4.571 4.350 -0.000 0.000 0.194 390 E C 2.097 178.631 176.600 -0.110 0.000 1.013 390 E CA 0.590 56.822 56.400 -0.280 0.000 0.866 390 E CB 0.445 29.961 29.700 -0.307 0.000 0.832 390 E HN 0.446 nan 8.360 nan 0.000 0.500 391 A N 1.665 124.429 122.820 -0.094 0.000 1.877 391 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 391 A C 2.392 179.963 177.584 -0.021 0.000 1.186 391 A CA 1.683 53.693 52.037 -0.044 0.000 0.620 391 A CB -0.570 18.408 19.000 -0.037 0.000 0.822 391 A HN 0.286 nan 8.150 nan 0.000 0.443 392 A N -0.276 122.539 122.820 -0.008 0.000 1.929 392 A HA 0.247 4.566 4.320 -0.000 0.000 0.216 392 A C 2.484 180.073 177.584 0.008 0.000 1.176 392 A CA 1.807 53.847 52.037 0.006 0.000 0.628 392 A CB -0.985 18.028 19.000 0.022 0.000 0.816 392 A HN 1.058 nan 8.150 nan 0.000 0.444 393 A N 0.210 123.034 122.820 0.007 0.000 1.948 393 A HA 0.255 4.575 4.320 -0.000 0.000 0.220 393 A C 1.775 179.366 177.584 0.011 0.000 1.177 393 A CA 1.530 53.575 52.037 0.013 0.000 0.636 393 A CB -1.167 17.840 19.000 0.011 0.000 0.815 393 A HN 1.107 nan 8.150 nan 0.000 0.449 403 P HA 0.537 nan 4.420 nan 0.000 0.276 403 P C -0.538 176.752 177.300 -0.017 0.000 1.252 403 P CA -0.438 62.656 63.100 -0.011 0.000 0.802 403 P CB 1.254 32.947 31.700 -0.012 0.000 1.035 404 I N 1.875 122.431 120.570 -0.023 0.000 2.363 404 I HA 0.083 4.253 4.170 -0.000 0.000 0.292 404 I C 1.807 177.898 176.117 -0.043 0.000 1.075 404 I CA -0.196 61.083 61.300 -0.036 0.000 1.333 404 I CB 0.741 38.716 38.000 -0.041 0.000 1.415 404 I HN 0.417 nan 8.210 nan 0.000 0.502 405 R N 4.068 124.539 120.500 -0.048 0.000 2.057 405 R HA 0.110 4.449 4.340 -0.000 0.000 0.224 405 R C 0.159 176.417 176.300 -0.070 0.000 1.136 405 R CA 1.269 57.339 56.100 -0.049 0.000 0.968 405 R CB 0.236 30.513 30.300 -0.040 0.000 0.863 405 R HN 0.580 nan 8.270 nan 0.000 0.433 406 T N -0.225 114.267 114.554 -0.103 0.000 2.893 406 T HA 0.556 4.906 4.350 -0.000 0.000 0.293 406 T C -1.507 173.070 174.700 -0.206 0.000 1.027 406 T CA -0.672 61.344 62.100 -0.140 0.000 0.988 406 T CB 2.423 71.203 68.868 -0.147 0.000 1.043 406 T HN -0.162 nan 8.240 nan 0.000 0.461 407 V N 2.964 122.765 119.914 -0.189 0.000 2.448 407 V HA 0.540 4.660 4.120 -0.000 0.000 0.295 407 V C -0.502 175.458 176.094 -0.224 0.000 1.025 407 V CA -0.683 61.491 62.300 -0.211 0.000 0.859 407 V CB 1.901 33.641 31.823 -0.138 0.000 0.988 407 V HN 0.733 nan 8.190 nan 0.000 0.431 408 V N 6.504 126.244 119.914 -0.290 0.000 2.384 408 V HA 0.450 4.570 4.120 -0.000 0.000 0.287 408 V C -0.197 175.797 176.094 -0.167 0.000 1.020 408 V CA -0.494 61.680 62.300 -0.210 0.000 0.850 408 V CB 1.685 33.386 31.823 -0.204 0.000 0.987 408 V HN 0.625 nan 8.190 nan 0.000 0.436 409 L N 5.287 126.420 121.223 -0.150 0.000 2.264 409 L HA 0.450 4.790 4.340 -0.000 0.000 0.287 409 L C 0.257 177.002 176.870 -0.208 0.000 1.039 409 L CA -0.085 54.650 54.840 -0.175 0.000 0.829 409 L CB 0.830 42.815 42.059 -0.124 0.000 1.211 409 L HN 0.630 nan 8.230 nan 0.000 0.427 410 N N 4.669 123.142 118.700 -0.378 0.000 2.426 410 N HA 0.287 5.026 4.740 -0.000 0.000 0.275 410 N C 0.027 175.396 175.510 -0.236 0.000 1.019 410 N CA -0.336 52.486 53.050 -0.381 0.000 0.941 410 N CB 1.602 39.582 38.487 -0.845 0.000 1.123 410 N HN 0.588 nan 8.380 nan 0.000 0.486 411 L N 2.815 123.972 121.223 -0.109 0.000 2.906 411 L HA 0.283 4.623 4.340 -0.000 0.000 0.255 411 L C 2.051 178.916 176.870 -0.009 0.000 1.166 411 L CA -0.191 54.616 54.840 -0.054 0.000 0.977 411 L CB 0.054 42.086 42.059 -0.046 0.000 1.313 411 L HN 0.510 nan 8.230 nan 0.000 0.549 412 A N 0.980 123.808 122.820 0.013 0.000 1.903 412 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 412 A C 2.210 179.824 177.584 0.050 0.000 1.191 412 A CA 1.591 53.653 52.037 0.042 0.000 0.638 412 A CB -0.327 18.718 19.000 0.074 0.000 0.823 412 A HN 0.317 nan 8.150 nan 0.000 0.451 413 R N -0.477 120.066 120.500 0.072 0.000 2.323 413 R HA 0.104 4.444 4.340 -0.000 0.000 0.198 413 R C -0.170 176.157 176.300 0.045 0.000 0.988 413 R CA 0.077 56.219 56.100 0.069 0.000 1.041 413 R CB -0.665 29.697 30.300 0.102 0.000 0.926 413 R HN 0.373 nan 8.270 nan 0.000 0.476 414 V N 2.080 122.011 119.914 0.028 0.000 2.498 414 V HA 0.015 4.135 4.120 -0.000 0.000 0.279 414 V C 1.024 177.128 176.094 0.017 0.000 1.048 414 V CA -0.073 62.237 62.300 0.017 0.000 0.967 414 V CB 1.602 33.426 31.823 0.001 0.000 0.988 414 V HN 0.099 nan 8.190 nan 0.000 0.473 415 D N 3.460 123.871 120.400 0.018 0.000 2.162 415 D HA 0.113 4.753 4.640 -0.000 0.000 0.205 415 D C 0.896 177.205 176.300 0.015 0.000 0.964 415 D CA 0.959 54.970 54.000 0.018 0.000 0.847 415 D CB 0.556 41.368 40.800 0.020 0.000 0.988 415 D HN 0.474 nan 8.370 nan 0.000 0.480 416 R N -0.774 119.734 120.500 0.013 0.000 2.752 416 R HA 0.660 5.000 4.340 -0.000 0.000 0.271 416 R C -1.187 175.119 176.300 0.009 0.000 1.026 416 R CA -0.624 55.484 56.100 0.012 0.000 0.901 416 R CB 2.398 32.708 30.300 0.016 0.000 1.243 416 R HN -0.143 nan 8.270 nan 0.000 0.463 417 I N 1.603 122.179 120.570 0.009 0.000 2.649 417 I HA 0.164 4.334 4.170 -0.000 0.000 0.289 417 I C -0.920 175.205 176.117 0.012 0.000 1.222 417 I CA -0.971 60.333 61.300 0.007 0.000 1.046 417 I CB 2.138 40.137 38.000 -0.001 0.000 1.272 417 I HN 0.668 nan 8.210 nan 0.000 0.425 418 D N 3.936 124.347 120.400 0.019 0.000 2.433 418 D HA 0.121 4.760 4.640 -0.000 0.000 0.255 418 D C 0.516 176.828 176.300 0.020 0.000 1.226 418 D CA -0.238 53.775 54.000 0.022 0.000 1.015 418 D CB 0.908 41.727 40.800 0.031 0.000 1.091 418 D HN 0.396 nan 8.370 nan 0.000 0.527 419 D N -0.487 119.924 120.400 0.019 0.000 2.104 419 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 419 D C 2.152 178.466 176.300 0.023 0.000 0.994 419 D CA 1.127 55.136 54.000 0.016 0.000 0.830 419 D CB -0.173 40.634 40.800 0.012 0.000 0.959 419 D HN 0.201 nan 8.370 nan 0.000 0.452 420 V N 1.438 121.375 119.914 0.037 0.000 2.252 420 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 420 V C 2.645 178.769 176.094 0.049 0.000 1.056 420 V CA 2.239 64.575 62.300 0.060 0.000 1.022 420 V CB -1.137 30.750 31.823 0.106 0.000 0.641 420 V HN 0.261 nan 8.190 nan 0.000 0.445 421 G N -0.524 108.299 108.800 0.037 0.000 2.442 421 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 421 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 421 G C 1.710 176.608 174.900 -0.005 0.000 1.141 421 G CA 0.911 46.015 45.100 0.007 0.000 0.763 421 G HN 0.473 nan 8.290 nan 0.000 0.554 422 R N 0.125 120.626 120.500 0.002 0.000 2.070 422 R HA -0.010 4.330 4.340 -0.000 0.000 0.232 422 R C 2.858 179.155 176.300 -0.005 0.000 1.138 422 R CA 1.468 57.566 56.100 -0.004 0.000 0.936 422 R CB -0.365 29.934 30.300 -0.001 0.000 0.839 422 R HN 0.280 nan 8.270 nan 0.000 0.429 423 R N 0.732 121.234 120.500 0.003 0.000 2.083 423 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 423 R C 2.461 178.761 176.300 -0.000 0.000 1.137 423 R CA 1.389 57.490 56.100 0.003 0.000 0.951 423 R CB -0.669 29.637 30.300 0.011 0.000 0.851 423 R HN 0.191 nan 8.270 nan 0.000 0.434 424 L N 0.549 121.774 121.223 0.003 0.000 1.990 424 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 424 L C 2.501 179.355 176.870 -0.026 0.000 1.072 424 L CA 1.514 56.349 54.840 -0.007 0.000 0.755 424 L CB -0.409 41.641 42.059 -0.015 0.000 0.889 424 L HN 0.212 nan 8.230 nan 0.000 0.432 425 I N -0.683 119.867 120.570 -0.032 0.000 2.394 425 I HA -0.231 3.938 4.170 -0.000 0.000 0.251 425 I C 2.729 178.826 176.117 -0.034 0.000 1.136 425 I CA 0.858 62.134 61.300 -0.040 0.000 1.425 425 I CB -0.343 37.630 38.000 -0.045 0.000 1.079 425 I HN 0.209 nan 8.210 nan 0.000 0.425 426 A N 0.692 123.496 122.820 -0.026 0.000 1.858 426 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 426 A C 2.211 179.782 177.584 -0.022 0.000 1.190 426 A CA 2.077 54.100 52.037 -0.023 0.000 0.617 426 A CB -0.609 18.381 19.000 -0.016 0.000 0.827 426 A HN 0.391 nan 8.150 nan 0.000 0.443 427 E N 0.188 120.377 120.200 -0.017 0.000 2.118 427 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 427 E C 1.903 178.490 176.600 -0.021 0.000 0.992 427 E CA 1.705 58.096 56.400 -0.015 0.000 0.804 427 E CB -0.842 28.853 29.700 -0.009 0.000 0.741 427 E HN 0.421 nan 8.360 nan 0.000 0.458 428 G N -0.287 108.497 108.800 -0.028 0.000 2.422 428 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.218 428 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.218 428 G C 1.689 176.567 174.900 -0.037 0.000 1.146 428 G CA 0.924 46.004 45.100 -0.034 0.000 0.769 428 G HN 0.269 nan 8.290 nan 0.000 0.547 429 V N 0.674 120.565 119.914 -0.038 0.000 2.453 429 V HA -0.058 4.062 4.120 -0.000 0.000 0.247 429 V C 2.746 178.820 176.094 -0.034 0.000 1.048 429 V CA 1.669 63.944 62.300 -0.041 0.000 1.049 429 V CB -0.330 31.468 31.823 -0.042 0.000 0.672 429 V HN 0.399 nan 8.190 nan 0.000 0.457 430 R N 0.649 121.132 120.500 -0.028 0.000 2.120 430 R HA -0.141 4.198 4.340 -0.000 0.000 0.234 430 R C 2.285 178.572 176.300 -0.022 0.000 1.123 430 R CA 1.510 57.596 56.100 -0.023 0.000 0.975 430 R CB -0.123 30.166 30.300 -0.018 0.000 0.866 430 R HN 0.443 nan 8.270 nan 0.000 0.446 431 R N -0.022 120.464 120.500 -0.023 0.000 2.240 431 R HA 0.052 4.392 4.340 -0.000 0.000 0.203 431 R C 2.231 178.515 176.300 -0.026 0.000 1.011 431 R CA 0.365 56.452 56.100 -0.022 0.000 1.007 431 R CB 0.011 30.299 30.300 -0.020 0.000 0.911 431 R HN 0.254 nan 8.270 nan 0.000 0.468 432 L N 0.663 121.867 121.223 -0.032 0.000 2.049 432 L HA -0.153 4.187 4.340 -0.000 0.000 0.203 432 L C 2.347 179.196 176.870 -0.034 0.000 1.074 432 L CA 1.398 56.216 54.840 -0.037 0.000 0.749 432 L CB -0.318 41.713 42.059 -0.046 0.000 0.907 432 L HN 0.145 nan 8.230 nan 0.000 0.439 433 Q N -0.160 119.620 119.800 -0.033 0.000 2.152 433 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 433 Q C 2.182 178.167 176.000 -0.025 0.000 0.985 433 Q CA 1.608 57.393 55.803 -0.030 0.000 0.863 433 Q CB -0.361 28.360 28.738 -0.028 0.000 0.904 433 Q HN 0.552 nan 8.270 nan 0.000 0.422 434 A N 0.939 123.746 122.820 -0.022 0.000 2.172 434 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 434 A C 1.117 178.690 177.584 -0.018 0.000 1.154 434 A CA 1.143 53.169 52.037 -0.018 0.000 0.701 434 A CB 0.026 19.016 19.000 -0.016 0.000 0.789 434 A HN 0.179 nan 8.150 nan 0.000 0.465 435 D N -0.870 119.517 120.400 -0.021 0.000 2.342 435 D HA 0.251 4.891 4.640 -0.000 0.000 0.221 435 D C 1.198 177.485 176.300 -0.022 0.000 1.101 435 D CA 0.864 54.852 54.000 -0.021 0.000 0.837 435 D CB 0.054 40.840 40.800 -0.024 0.000 0.938 435 D HN 0.499 nan 8.370 nan 0.000 0.508 436 G N 0.911 109.698 108.800 -0.022 0.000 2.221 436 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.265 436 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.265 436 G C 0.276 175.159 174.900 -0.028 0.000 1.041 436 G CA 0.204 45.291 45.100 -0.023 0.000 0.807 436 G HN 0.266 nan 8.290 nan 0.000 0.502 437 V N 0.346 120.240 119.914 -0.034 0.000 2.483 437 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 437 V C 1.017 177.082 176.094 -0.049 0.000 1.035 437 V CA -0.973 61.301 62.300 -0.044 0.000 0.896 437 V CB 1.746 33.540 31.823 -0.049 0.000 0.986 437 V HN 0.482 nan 8.190 nan 0.000 0.447 438 R N 3.109 123.576 120.500 -0.055 0.000 2.389 438 R HA 0.529 4.869 4.340 -0.000 0.000 0.295 438 R C -1.416 174.840 176.300 -0.074 0.000 1.075 438 R CA -0.147 55.919 56.100 -0.057 0.000 1.005 438 R CB 0.992 31.259 30.300 -0.054 0.000 0.987 438 R HN 0.542 nan 8.270 nan 0.000 0.452 439 V N 5.500 125.374 119.914 -0.066 0.000 2.443 439 V HA 0.201 4.321 4.120 -0.000 0.000 0.293 439 V C -0.759 175.294 176.094 -0.068 0.000 1.021 439 V CA -0.768 61.486 62.300 -0.077 0.000 0.848 439 V CB 1.614 33.396 31.823 -0.069 0.000 0.998 439 V HN 0.858 nan 8.190 nan 0.000 0.424 440 E N 4.391 124.544 120.200 -0.078 0.000 2.158 440 E HA 0.648 4.997 4.350 -0.000 0.000 0.271 440 E C -1.193 175.371 176.600 -0.061 0.000 0.911 440 E CA -0.861 55.505 56.400 -0.057 0.000 0.767 440 E CB 2.353 32.027 29.700 -0.044 0.000 1.120 440 E HN 0.312 nan 8.360 nan 0.000 0.405 441 V N 3.654 123.539 119.914 -0.049 0.000 2.368 441 V HA 0.060 4.180 4.120 -0.000 0.000 0.266 441 V C 0.048 176.117 176.094 -0.040 0.000 1.045 441 V CA -0.455 61.813 62.300 -0.053 0.000 0.899 441 V CB 0.396 32.192 31.823 -0.044 0.000 1.006 441 V HN 0.693 nan 8.190 nan 0.000 0.470 442 E N 4.172 124.342 120.200 -0.050 0.000 2.001 442 E HA 0.211 4.561 4.350 -0.000 0.000 0.279 442 E C -0.613 175.967 176.600 -0.033 0.000 1.045 442 E CA -0.182 56.200 56.400 -0.030 0.000 0.833 442 E CB 0.893 30.578 29.700 -0.025 0.000 1.077 442 E HN 0.555 nan 8.360 nan 0.000 0.397 443 D N 5.018 125.406 120.400 -0.019 0.000 2.400 443 D HA 0.110 4.750 4.640 -0.000 0.000 0.272 443 D C -1.159 175.139 176.300 -0.004 0.000 1.220 443 D CA -1.803 52.189 54.000 -0.015 0.000 0.897 443 D CB 1.043 41.832 40.800 -0.018 0.000 1.134 443 D HN 0.231 nan 8.370 nan 0.000 0.507 444 P HA -0.118 nan 4.420 nan 0.000 0.212 444 P C 0.271 177.575 177.300 0.006 0.000 1.178 444 P CA 0.992 64.097 63.100 0.008 0.000 0.915 444 P CB 0.711 32.420 31.700 0.015 0.000 0.788 445 E N 0.000 120.204 120.200 0.007 0.000 2.725 445 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 445 E CA 0.000 56.404 56.400 0.006 0.000 0.976 445 E CB 0.000 29.705 29.700 0.008 0.000 0.812 445 E HN 0.000 nan 8.360 nan 0.000 0.440