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 1m40_1_A DATA FIRST_RESID 26 DATA SEQUENCE HPETLVKVKD AEDQLGARVG YIELDLNSGK ILESFRPEER FPMMSTFKVL DATA SEQUENCE LcGAVLSRVD AGQEQLGRRI HYSQNDLVEY SPVTEKHLTD GMTVRELcSA DATA SEQUENCE AITMSDNTAA NLLLTTIGGP KELTAFLHNM GDHVTRLDRW EPELNEAIPN DATA SEQUENCE DERDTTTPAA MATTLRKLLT GELLTLASRQ QLIDWMEADK VAGPLLRSAL DATA SEQUENCE PAGWFIADKS GAGXERGSRG IIAALGPXDG KPSRIVVIYT TGSQATMDER DATA SEQUENCE NRQIAEIGAS LIKHW 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 26 H HA 0.000 nan 4.556 nan 0.000 0.296 26 H C 0.000 175.263 175.328 -0.108 0.000 0.993 26 H CA 0.000 56.005 56.048 -0.071 0.000 1.023 26 H CB 0.000 29.677 29.762 -0.141 0.000 1.292 27 P HA -0.214 4.183 4.420 -0.039 0.000 0.220 27 P C 0.629 177.931 177.300 0.002 0.000 1.148 27 P CA 2.253 65.315 63.100 -0.064 0.000 0.803 27 P CB 0.501 32.124 31.700 -0.128 0.000 0.782 28 E N -2.314 117.961 120.200 0.125 0.000 2.204 28 E HA -0.288 4.036 4.350 -0.043 0.000 0.195 28 E C 2.342 178.879 176.600 -0.105 0.000 0.990 28 E CA 3.044 59.397 56.400 -0.077 0.000 0.821 28 E CB -0.944 28.516 29.700 -0.399 0.000 0.750 28 E HN -0.409 8.201 8.360 0.492 0.045 0.477 29 T N 1.915 116.422 114.554 -0.077 0.000 2.857 29 T HA -0.169 4.150 4.350 -0.051 0.000 0.266 29 T C 1.554 176.170 174.700 -0.140 0.000 1.048 29 T CA 4.407 66.470 62.100 -0.062 0.000 1.139 29 T CB -0.194 68.684 68.868 0.017 0.000 0.874 29 T HN -0.176 7.801 8.240 -0.046 0.236 0.455 30 L N 0.559 121.724 121.223 -0.097 0.000 2.201 30 L HA -0.293 3.916 4.340 -0.220 0.000 0.212 30 L C 1.566 178.323 176.870 -0.188 0.000 1.105 30 L CA 2.858 57.604 54.840 -0.156 0.000 0.775 30 L CB -0.731 41.278 42.059 -0.085 0.000 0.913 30 L HN -0.804 7.242 8.230 -0.043 0.159 0.440 31 V N -1.176 118.663 119.914 -0.124 0.000 2.324 31 V HA -0.449 3.601 4.120 -0.117 0.000 0.250 31 V C 2.334 178.349 176.094 -0.132 0.000 1.060 31 V CA 4.703 66.936 62.300 -0.111 0.000 1.042 31 V CB -0.640 31.144 31.823 -0.065 0.000 0.650 31 V HN -0.134 7.825 8.190 -0.096 0.174 0.450 32 K N -0.938 119.381 120.400 -0.134 0.000 2.062 32 K HA -0.195 4.061 4.320 -0.108 0.000 0.205 32 K C 1.927 178.415 176.600 -0.187 0.000 1.051 32 K CA 2.303 58.508 56.287 -0.136 0.000 0.941 32 K CB -0.482 31.952 32.500 -0.110 0.000 0.719 32 K HN -0.814 7.180 8.250 -0.126 0.181 0.440 33 V N 0.588 120.336 119.914 -0.276 0.000 2.287 33 V HA -0.579 3.383 4.120 -0.263 0.000 0.248 33 V C 1.704 177.610 176.094 -0.313 0.000 1.053 33 V CA 5.128 67.239 62.300 -0.315 0.000 1.027 33 V CB -0.255 31.315 31.823 -0.421 0.000 0.646 33 V HN 0.342 8.355 8.190 -0.294 0.000 0.447 34 K N -0.403 119.735 120.400 -0.436 0.000 2.155 34 K HA -0.305 nan 4.320 nan 0.000 0.203 34 K C 2.544 179.034 176.600 -0.183 0.000 1.052 34 K CA 2.721 58.747 56.287 -0.436 0.000 0.948 34 K CB -0.792 31.409 32.500 -0.498 0.000 0.728 34 K HN 0.035 8.030 8.250 -0.424 0.000 0.448 35 D N 1.265 121.578 120.400 -0.144 0.000 2.144 35 D HA -0.142 4.461 4.640 -0.062 0.000 0.199 35 D C 1.959 178.227 176.300 -0.053 0.000 0.984 35 D CA 1.729 55.681 54.000 -0.079 0.000 0.834 35 D CB -0.448 40.308 40.800 -0.072 0.000 0.955 35 D HN -0.027 nan 8.370 nan 0.000 0.465 36 A N 1.019 123.801 122.820 -0.064 0.000 1.908 36 A HA -0.199 4.380 4.320 -0.021 -0.272 0.218 36 A C 1.768 179.362 177.584 0.017 0.000 1.181 36 A CA 2.452 54.474 52.037 -0.026 0.000 0.627 36 A CB -0.177 18.801 19.000 -0.036 0.000 0.818 36 A HN 0.082 7.989 8.150 -0.096 0.185 0.445 37 E N -1.005 119.217 120.200 0.037 0.000 2.085 37 E HA -0.340 4.374 4.350 0.125 -0.289 0.194 37 E C 1.882 178.526 176.600 0.074 0.000 0.994 37 E CA 2.948 59.411 56.400 0.105 0.000 0.801 37 E CB 0.033 29.857 29.700 0.205 0.000 0.743 37 E HN -0.227 8.135 8.360 0.004 0.000 0.453 38 D N -0.935 119.488 120.400 0.038 0.000 2.084 38 D HA -0.270 4.395 4.640 0.041 0.000 0.194 38 D C 3.109 179.424 176.300 0.025 0.000 0.990 38 D CA 2.957 56.974 54.000 0.029 0.000 0.826 38 D CB 0.026 40.832 40.800 0.009 0.000 0.971 38 D HN -0.533 7.848 8.370 0.017 0.000 0.453 39 Q N -1.175 118.634 119.800 0.015 0.000 2.119 39 Q HA -0.282 4.065 4.340 0.011 0.000 0.201 39 Q C 2.488 178.502 176.000 0.023 0.000 0.972 39 Q CA 2.673 58.484 55.803 0.013 0.000 0.847 39 Q CB 0.410 29.149 28.738 0.003 0.000 0.903 39 Q HN -0.065 8.132 8.270 0.008 0.077 0.433 40 L N -3.886 117.357 121.223 0.033 0.000 2.492 40 L HA -0.099 4.262 4.340 0.035 0.000 0.223 40 L C 0.788 177.687 176.870 0.049 0.000 1.132 40 L CA 0.486 55.351 54.840 0.043 0.000 0.850 40 L CB 0.483 42.576 42.059 0.057 0.000 0.966 40 L HN 0.013 8.182 8.230 0.035 0.082 0.454 41 G N -2.403 106.427 108.800 0.050 0.000 2.249 41 G HA2 -0.463 3.527 3.960 0.050 0.000 0.273 41 G HA3 -0.463 3.522 3.960 0.042 0.000 0.273 41 G C -1.397 173.541 174.900 0.063 0.000 1.036 41 G CA 0.507 45.638 45.100 0.051 0.000 0.824 41 G HN -0.110 8.042 8.290 0.048 0.167 0.504 42 A N -3.099 119.774 122.820 0.087 0.000 2.605 42 A HA 0.280 4.654 4.320 0.090 0.000 0.294 42 A C -2.034 175.646 177.584 0.160 0.000 1.062 42 A CA -0.711 51.391 52.037 0.107 0.000 0.682 42 A CB 2.712 21.776 19.000 0.106 0.000 1.278 42 A HN -0.773 7.433 8.150 0.093 0.000 0.410 43 R N -0.853 119.756 120.500 0.181 0.000 2.640 43 R HA -0.120 4.728 4.340 0.261 -0.352 0.270 43 R C -0.772 175.776 176.300 0.413 0.000 1.024 43 R CA 0.956 57.223 56.100 0.278 0.000 1.085 43 R CB 0.737 31.167 30.300 0.217 0.000 0.963 43 R HN 0.358 8.711 8.270 0.138 0.000 0.426 44 V N 2.106 122.272 119.914 0.421 0.000 2.604 44 V HA 0.651 5.077 4.120 0.198 -0.187 0.305 44 V C -0.282 176.000 176.094 0.313 0.000 1.043 44 V CA -1.614 60.873 62.300 0.311 0.000 0.888 44 V CB 2.690 34.673 31.823 0.267 0.000 0.995 44 V HN 0.121 9.116 8.190 0.438 -0.543 0.429 45 G N 4.870 113.597 108.800 -0.121 0.000 2.513 45 G HA2 0.502 4.959 3.960 0.161 0.000 0.317 45 G HA3 0.502 4.257 3.960 -0.341 0.000 0.317 45 G C -3.082 171.858 174.900 0.067 0.000 1.277 45 G CA -1.460 43.597 45.100 -0.072 0.000 0.955 45 G HN 0.760 8.802 8.290 -0.412 0.000 0.484 46 Y N 5.126 125.465 120.300 0.066 0.000 2.470 46 Y HA 1.030 5.791 4.550 -0.006 -0.215 0.341 46 Y C -2.660 173.281 175.900 0.068 0.000 1.021 46 Y CA -2.020 56.114 58.100 0.057 0.000 1.025 46 Y CB 4.170 42.698 38.460 0.113 0.000 1.266 46 Y HN 0.876 9.330 8.280 0.291 0.000 0.448 47 I N 4.710 124.916 120.570 -0.606 0.000 2.656 47 I HA 0.570 4.764 4.170 -0.484 -0.315 0.292 47 I C -2.507 173.155 176.117 -0.758 0.000 1.144 47 I CA -1.638 59.335 61.300 -0.544 0.000 1.038 47 I CB 4.878 42.750 38.000 -0.212 0.000 1.244 47 I HN 0.534 8.395 8.210 -0.581 0.000 0.420 48 E N 6.606 126.451 120.200 -0.592 0.000 2.191 48 E HA 0.790 5.357 4.350 -0.271 -0.380 0.263 48 E C -1.951 174.532 176.600 -0.196 0.000 0.881 48 E CA -2.283 53.922 56.400 -0.325 0.000 0.757 48 E CB 3.523 33.093 29.700 -0.215 0.000 1.147 48 E HN 0.604 8.646 8.360 -0.529 0.000 0.414 49 L N 5.925 127.063 121.223 -0.142 0.000 2.342 49 L HA 0.716 5.327 4.340 -0.108 -0.335 0.271 49 L C -1.607 175.199 176.870 -0.108 0.000 1.008 49 L CA -1.989 52.787 54.840 -0.108 0.000 0.818 49 L CB 4.083 46.098 42.059 -0.072 0.000 1.296 49 L HN 0.871 9.025 8.230 -0.127 0.000 0.427 50 D N 1.837 122.175 120.400 -0.104 0.000 2.371 50 D HA 0.008 4.573 4.640 -0.124 0.000 0.256 50 D C 0.461 176.723 176.300 -0.064 0.000 1.193 50 D CA 0.811 54.752 54.000 -0.099 0.000 0.881 50 D CB 1.903 42.647 40.800 -0.094 0.000 1.143 50 D HN 0.243 8.555 8.370 -0.098 0.000 0.473 51 L N 6.648 127.842 121.223 -0.047 0.000 2.046 51 L HA -0.275 4.051 4.340 -0.023 0.000 0.208 51 L C 1.071 177.919 176.870 -0.036 0.000 1.077 51 L CA 3.012 57.834 54.840 -0.030 0.000 0.747 51 L CB 0.209 42.257 42.059 -0.018 0.000 0.896 51 L HN 0.268 8.364 8.230 -0.051 0.104 0.432 52 N N -1.992 116.683 118.700 -0.042 0.000 2.080 52 N HA -0.287 4.430 4.740 -0.039 0.000 0.189 52 N C 2.259 177.746 175.510 -0.038 0.000 1.036 52 N CA 3.320 56.346 53.050 -0.040 0.000 0.846 52 N CB -0.001 38.461 38.487 -0.042 0.000 1.015 52 N HN -0.413 8.110 8.380 -0.045 -0.171 0.423 53 S N -2.346 113.329 115.700 -0.042 0.000 2.486 53 S HA 0.081 4.529 4.470 -0.036 0.000 0.220 53 S C 1.582 176.158 174.600 -0.040 0.000 1.011 53 S CA 1.141 59.318 58.200 -0.040 0.000 0.921 53 S CB 1.352 64.527 63.200 -0.042 0.000 0.785 53 S HN -0.089 8.838 8.310 -0.046 -0.645 0.517 54 G N 2.351 111.125 108.800 -0.043 0.000 2.162 54 G HA2 -0.496 3.571 3.960 -0.043 0.000 0.260 54 G HA3 -0.496 3.440 3.960 -0.040 0.000 0.260 54 G C -1.304 173.567 174.900 -0.048 0.000 0.976 54 G CA 0.113 45.187 45.100 -0.043 0.000 0.655 54 G HN -0.134 8.129 8.290 -0.045 0.000 0.533 55 K N 1.123 121.492 120.400 -0.052 0.000 2.451 55 K HA -0.159 4.133 4.320 -0.046 0.000 0.280 55 K C -0.481 176.082 176.600 -0.062 0.000 1.020 55 K CA 0.208 56.464 56.287 -0.053 0.000 1.008 55 K CB 0.542 33.009 32.500 -0.054 0.000 0.917 55 K HN -0.504 7.648 8.250 -0.052 0.066 0.478 56 I N 6.948 127.485 120.570 -0.055 0.000 2.494 56 I HA -0.214 4.026 4.170 -0.075 -0.115 0.289 56 I C 0.507 176.588 176.117 -0.060 0.000 1.106 56 I CA 1.210 62.474 61.300 -0.061 0.000 1.369 56 I CB -0.508 37.464 38.000 -0.046 0.000 1.410 56 I HN 0.472 8.654 8.210 -0.047 0.000 0.523 57 L N 6.792 127.966 121.223 -0.080 0.000 2.249 57 L HA -0.004 4.299 4.340 -0.061 0.000 0.207 57 L C -0.004 176.846 176.870 -0.034 0.000 1.090 57 L CA 1.336 56.135 54.840 -0.069 0.000 0.802 57 L CB 0.720 42.717 42.059 -0.102 0.000 0.947 57 L HN 0.600 8.771 8.230 -0.099 0.000 0.453 58 E N -3.892 116.287 120.200 -0.035 0.000 2.388 58 E HA 0.171 4.552 4.350 0.050 0.000 0.280 58 E C -2.683 173.923 176.600 0.010 0.000 1.019 58 E CA -0.419 56.005 56.400 0.041 0.000 0.806 58 E CB 3.868 33.657 29.700 0.148 0.000 1.246 58 E HN -0.803 7.509 8.360 -0.079 0.000 0.443 59 S N 0.304 116.080 115.700 0.126 0.000 2.625 59 S HA 0.692 5.525 4.470 0.067 -0.323 0.271 59 S C -1.738 173.083 174.600 0.368 0.000 1.161 59 S CA -1.471 56.821 58.200 0.152 0.000 0.820 59 S CB 3.166 66.407 63.200 0.068 0.000 1.137 59 S HN 0.072 8.477 8.310 0.158 0.000 0.470 60 F N 1.120 121.173 119.950 0.171 0.000 2.623 60 F HA 0.201 4.804 4.527 0.127 0.000 0.323 60 F C -1.516 174.384 175.800 0.167 0.000 1.158 60 F CA 0.285 58.382 58.000 0.162 0.000 1.030 60 F CB 3.549 42.655 39.000 0.176 0.000 1.280 60 F HN 0.581 9.079 8.300 0.330 0.000 0.474 61 R N 2.807 123.046 120.500 -0.435 0.000 3.301 61 R HA -0.322 3.879 4.340 -0.232 0.000 0.249 61 R C -1.784 174.537 176.300 0.035 0.000 0.964 61 R CA 1.261 57.219 56.100 -0.237 0.000 0.653 61 R CB -2.021 28.132 30.300 -0.244 0.000 1.043 61 R HN 0.784 8.709 8.270 -0.575 0.000 0.454 62 P HA -0.046 4.435 4.420 0.101 0.000 0.229 62 P C -0.170 177.178 177.300 0.081 0.000 1.160 62 P CA 2.032 65.177 63.100 0.075 0.000 0.777 62 P CB 0.238 31.964 31.700 0.043 0.000 0.814 63 E N -4.500 115.730 120.200 0.050 0.000 2.558 63 E HA 0.129 4.509 4.350 0.051 0.000 0.205 63 E C -0.928 175.685 176.600 0.023 0.000 1.006 63 E CA -1.131 55.291 56.400 0.037 0.000 0.961 63 E CB -0.181 29.526 29.700 0.012 0.000 1.044 63 E HN 0.232 8.520 8.360 0.031 0.091 0.465 64 E N 0.523 120.752 120.200 0.048 0.000 2.277 64 E HA 0.074 4.374 4.350 -0.083 0.000 0.274 64 E C -1.087 175.486 176.600 -0.046 0.000 1.022 64 E CA -0.827 55.545 56.400 -0.048 0.000 0.853 64 E CB 1.557 31.182 29.700 -0.125 0.000 1.086 64 E HN -0.803 7.488 8.360 0.096 0.127 0.397 65 R N 0.543 120.923 120.500 -0.200 0.000 2.441 65 R HA 0.578 5.120 4.340 -0.042 -0.228 0.284 65 R C -0.249 175.774 176.300 -0.462 0.000 1.070 65 R CA 0.251 56.242 56.100 -0.182 0.000 1.047 65 R CB 1.310 31.522 30.300 -0.146 0.000 1.016 65 R HN 0.351 8.490 8.270 -0.219 0.000 0.477 66 F N 2.080 121.922 119.950 -0.180 0.000 2.588 66 F HA 0.462 4.907 4.527 -0.137 0.000 0.310 66 F C -3.048 172.568 175.800 -0.307 0.000 1.082 66 F CA -2.314 55.547 58.000 -0.232 0.000 0.929 66 F CB 3.366 42.174 39.000 -0.321 0.000 1.254 66 F HN 0.475 8.783 8.300 0.014 0.000 0.455 67 P HA 0.103 4.635 4.420 -0.063 -0.150 0.264 67 P C -0.679 176.545 177.300 -0.127 0.000 1.193 67 P CA 0.136 63.205 63.100 -0.053 0.000 0.763 67 P CB 0.261 31.973 31.700 0.020 0.000 0.810 68 M N -0.175 119.372 119.600 -0.089 0.000 2.558 68 M HA 0.060 4.512 4.480 -0.047 0.000 0.255 68 M C 0.743 177.169 176.300 0.209 0.000 1.113 68 M CA 1.187 56.492 55.300 0.008 0.000 1.097 68 M CB 1.149 33.787 32.600 0.063 0.000 1.426 68 M HN -0.170 8.083 8.290 -0.062 0.000 0.488 69 M N -3.051 116.651 119.600 0.169 0.000 7.319 69 M HA -0.582 4.180 4.480 0.172 -0.178 0.097 69 M C 1.400 177.896 176.300 0.326 0.000 0.480 69 M CA 2.139 57.563 55.300 0.206 0.000 1.311 69 M CB -1.769 30.936 32.600 0.176 0.000 0.421 69 M HN -0.331 8.021 8.290 0.103 0.000 0.169 70 S N -0.173 115.673 115.700 0.243 0.000 2.555 70 S HA 0.008 4.621 4.470 0.239 0.000 0.230 70 S C 2.629 177.279 174.600 0.083 0.000 0.978 70 S CA 1.988 60.292 58.200 0.174 0.000 0.934 70 S CB -0.149 63.101 63.200 0.083 0.000 0.766 70 S HN 0.440 8.863 8.310 0.189 0.000 0.533 71 T N 2.304 116.965 114.554 0.178 0.000 2.897 71 T HA -0.319 4.079 4.350 0.080 0.000 0.271 71 T C 1.284 176.068 174.700 0.139 0.000 1.084 71 T CA 2.977 65.169 62.100 0.154 0.000 1.123 71 T CB -0.695 68.323 68.868 0.250 0.000 0.865 71 T HN -0.411 7.915 8.240 0.232 0.054 0.496 72 F N 0.513 120.515 119.950 0.087 0.000 2.333 72 F HA -0.124 4.448 4.527 0.075 0.000 0.300 72 F C 0.489 176.310 175.800 0.035 0.000 1.083 72 F CA 1.473 59.508 58.000 0.058 0.000 1.395 72 F CB -1.075 37.941 39.000 0.027 0.000 1.056 72 F HN -0.581 7.936 8.300 0.420 0.035 0.529 73 K N -0.218 119.677 120.400 -0.841 0.000 2.209 73 K HA -0.354 3.278 4.320 -1.147 0.000 0.204 73 K C 2.041 178.444 176.600 -0.328 0.000 1.048 73 K CA 3.095 58.895 56.287 -0.811 0.000 0.940 73 K CB -0.502 31.625 32.500 -0.622 0.000 0.729 73 K HN -0.383 7.320 8.250 -0.642 0.161 0.451 74 V N 0.091 119.916 119.914 -0.148 0.000 2.307 74 V HA -0.438 3.677 4.120 -0.009 0.000 0.245 74 V C 1.471 177.580 176.094 0.026 0.000 1.045 74 V CA 4.596 66.886 62.300 -0.016 0.000 1.024 74 V CB -0.136 31.713 31.823 0.044 0.000 0.651 74 V HN -0.728 7.363 8.190 -0.135 0.018 0.449 75 L N -2.093 119.168 121.223 0.063 0.000 2.083 75 L HA -0.319 4.127 4.340 0.176 0.000 0.209 75 L C 2.121 179.026 176.870 0.058 0.000 1.083 75 L CA 3.158 58.080 54.840 0.137 0.000 0.752 75 L CB -1.005 41.180 42.059 0.211 0.000 0.899 75 L HN -0.851 7.416 8.230 0.062 0.000 0.433 76 L N -0.329 120.893 121.223 -0.002 0.000 1.989 76 L HA -0.380 3.940 4.340 -0.033 0.000 0.211 76 L C 1.600 178.398 176.870 -0.121 0.000 1.071 76 L CA 3.766 58.569 54.840 -0.061 0.000 0.749 76 L CB -0.565 41.427 42.059 -0.111 0.000 0.890 76 L HN -0.122 8.099 8.230 -0.015 0.000 0.431 77 c N -2.143 116.395 118.600 -0.103 0.000 2.450 77 c HA -0.126 4.398 4.570 -0.078 0.000 0.279 77 c C 2.681 176.788 174.090 0.028 0.000 1.335 77 c CA 3.759 60.062 56.329 -0.043 0.000 1.749 77 c CB -1.921 40.556 42.510 -0.054 0.000 1.963 77 c HN -0.373 7.788 8.230 -0.115 0.000 0.501 78 G N -0.532 108.281 108.800 0.021 0.000 2.442 78 G HA2 -0.387 3.624 3.960 0.086 0.000 0.219 78 G HA3 -0.387 3.626 3.960 0.089 0.000 0.219 78 G C 0.467 175.238 174.900 -0.215 0.000 1.141 78 G CA 2.296 47.410 45.100 0.023 0.000 0.763 78 G HN 0.227 8.536 8.290 0.030 0.000 0.554 79 A N 0.951 123.442 122.820 -0.548 0.000 1.930 79 A HA -0.265 3.145 4.320 -1.516 0.000 0.217 79 A C 2.228 179.574 177.584 -0.397 0.000 1.175 79 A CA 2.562 54.007 52.037 -0.985 0.000 0.627 79 A CB -0.383 17.956 19.000 -1.103 0.000 0.815 79 A HN -0.190 7.629 8.150 -0.409 0.086 0.443 80 V N -0.300 119.492 119.914 -0.202 0.000 2.287 80 V HA -0.450 3.619 4.120 -0.085 0.000 0.248 80 V C 1.853 177.936 176.094 -0.018 0.000 1.053 80 V CA 4.049 66.301 62.300 -0.080 0.000 1.027 80 V CB -0.606 31.197 31.823 -0.034 0.000 0.646 80 V HN -0.341 7.662 8.190 -0.196 0.070 0.447 81 L N -2.216 119.020 121.223 0.023 0.000 2.141 81 L HA -0.405 3.976 4.340 0.067 0.000 0.209 81 L C 1.991 178.876 176.870 0.025 0.000 1.094 81 L CA 3.450 58.320 54.840 0.050 0.000 0.763 81 L CB -1.055 41.049 42.059 0.075 0.000 0.908 81 L HN 0.210 8.456 8.230 0.027 0.000 0.437 82 S N 0.436 116.137 115.700 0.001 0.000 2.368 82 S HA -0.196 4.322 4.470 0.081 0.000 0.225 82 S C 2.920 177.543 174.600 0.038 0.000 1.030 82 S CA 2.651 60.883 58.200 0.053 0.000 0.999 82 S CB -0.521 62.761 63.200 0.135 0.000 0.844 82 S HN -0.061 8.203 8.310 -0.050 0.017 0.459 83 R N 1.181 121.680 120.500 -0.001 0.000 2.081 83 R HA -0.157 4.198 4.340 0.025 0.000 0.235 83 R C 2.223 178.536 176.300 0.022 0.000 1.131 83 R CA 1.404 57.511 56.100 0.011 0.000 0.960 83 R CB -0.030 30.265 30.300 -0.007 0.000 0.856 83 R HN 0.171 nan 8.270 nan 0.000 0.436 84 V N 1.999 121.926 119.914 0.023 0.000 2.287 84 V HA -0.432 4.175 4.120 0.027 -0.470 0.248 84 V C 2.158 178.268 176.094 0.026 0.000 1.053 84 V CA 3.552 65.869 62.300 0.028 0.000 1.027 84 V CB 0.048 31.892 31.823 0.036 0.000 0.646 84 V HN -0.072 8.063 8.190 0.019 0.067 0.447 85 D N 1.053 121.471 120.400 0.029 0.000 2.144 85 D HA -0.220 4.433 4.640 0.022 0.000 0.199 85 D C 2.556 178.874 176.300 0.030 0.000 0.984 85 D CA 2.795 56.812 54.000 0.029 0.000 0.834 85 D CB -0.331 40.491 40.800 0.036 0.000 0.955 85 D HN -0.110 8.196 8.370 0.032 0.084 0.465 86 A N -0.987 121.854 122.820 0.036 0.000 2.208 86 A HA 0.049 4.371 4.320 0.004 0.000 0.209 86 A C 0.402 178.004 177.584 0.029 0.000 1.161 86 A CA 0.048 52.106 52.037 0.036 0.000 0.782 86 A CB 0.157 19.184 19.000 0.045 0.000 0.816 86 A HN 0.071 nan 8.150 nan 0.000 0.477 87 G N -1.172 107.644 108.800 0.026 0.000 2.136 87 G HA2 -0.378 3.618 3.960 0.022 0.000 0.242 87 G HA3 -0.378 3.595 3.960 0.022 0.000 0.242 87 G C 0.330 175.244 174.900 0.024 0.000 0.989 87 G CA 0.229 45.343 45.100 0.023 0.000 0.682 87 G HN 0.369 8.244 8.290 0.027 0.431 0.522 88 Q N -1.987 117.829 119.800 0.026 0.000 2.319 88 Q HA -0.054 nan 4.340 nan 0.000 0.202 88 Q C -0.904 175.110 176.000 0.023 0.000 0.896 88 Q CA 0.048 55.867 55.803 0.025 0.000 0.942 88 Q CB 0.966 29.720 28.738 0.026 0.000 1.083 88 Q HN 0.175 8.375 8.270 0.027 0.086 0.510 89 E N -2.119 118.095 120.200 0.023 0.000 2.408 89 E HA 0.192 4.557 4.350 0.024 0.000 0.275 89 E C -1.176 175.441 176.600 0.028 0.000 0.935 89 E CA -0.547 55.868 56.400 0.024 0.000 0.775 89 E CB 2.013 31.725 29.700 0.021 0.000 1.277 89 E HN -0.543 7.831 8.360 0.024 0.000 0.455 90 Q N 4.142 123.959 119.800 0.030 0.000 2.321 90 Q HA 0.456 4.798 4.340 0.004 0.000 0.270 90 Q C 0.336 176.360 176.000 0.041 0.000 1.032 90 Q CA -0.868 54.954 55.803 0.032 0.000 0.784 90 Q CB 1.669 30.423 28.738 0.027 0.000 1.264 90 Q HN 0.576 nan 8.270 nan 0.000 0.448 91 L N 2.935 124.190 121.223 0.054 0.000 2.187 91 L HA -0.302 nan 4.340 nan 0.000 0.213 91 L C 1.236 178.140 176.870 0.056 0.000 1.100 91 L CA 1.951 56.839 54.840 0.079 0.000 0.765 91 L CB -0.140 41.981 42.059 0.103 0.000 0.904 91 L HN 0.621 8.881 8.230 0.051 0.000 0.437 92 G N -5.520 103.303 108.800 0.039 0.000 2.985 92 G HA2 -0.062 3.913 3.960 0.026 0.000 0.209 92 G HA3 -0.062 3.912 3.960 0.024 0.000 0.209 92 G C -0.577 174.333 174.900 0.016 0.000 1.165 92 G CA -0.711 44.405 45.100 0.026 0.000 0.776 92 G HN -0.160 7.984 8.290 0.036 0.168 0.541 93 R N 1.282 121.793 120.500 0.018 0.000 2.522 93 R HA -0.171 nan 4.340 nan 0.000 0.284 93 R C -0.697 175.599 176.300 -0.006 0.000 1.032 93 R CA 0.763 56.871 56.100 0.013 0.000 1.049 93 R CB 0.625 30.937 30.300 0.020 0.000 0.956 93 R HN -0.371 7.790 8.270 0.023 0.123 0.422 94 R N 3.790 124.278 120.500 -0.022 0.000 2.254 94 R HA -0.019 4.399 4.340 -0.095 -0.135 0.318 94 R C -0.784 175.445 176.300 -0.118 0.000 1.031 94 R CA -0.351 55.693 56.100 -0.093 0.000 0.905 94 R CB 0.715 30.947 30.300 -0.114 0.000 1.050 94 R HN 0.183 8.451 8.270 -0.003 0.000 0.456 95 I N 5.822 126.316 120.570 -0.126 0.000 2.312 95 I HA 0.135 4.320 4.170 0.024 0.000 0.290 95 I C -1.266 174.811 176.117 -0.067 0.000 1.008 95 I CA -2.430 58.852 61.300 -0.030 0.000 1.226 95 I CB 0.342 38.367 38.000 0.041 0.000 1.371 95 I HN 0.262 8.413 8.210 -0.098 0.000 0.468 96 H N 8.001 127.143 119.070 0.119 0.000 2.467 96 H HA 0.226 4.763 4.556 -0.032 0.000 0.326 96 H C -1.168 174.228 175.328 0.114 0.000 1.094 96 H CA -0.453 55.620 56.048 0.042 0.000 1.253 96 H CB 2.136 31.892 29.762 -0.011 0.000 1.439 96 H HN 0.240 8.625 8.280 0.175 0.000 0.479 97 Y N 0.319 120.687 120.300 0.113 0.000 2.677 97 Y HA 0.381 4.968 4.550 0.063 0.000 0.334 97 Y C -2.489 173.445 175.900 0.057 0.000 1.154 97 Y CA -2.247 55.892 58.100 0.065 0.000 1.070 97 Y CB 2.542 41.023 38.460 0.036 0.000 1.294 97 Y HN 0.171 8.240 8.280 -0.352 0.000 0.475 98 S N -1.793 114.004 115.700 0.162 0.000 2.715 98 S HA 0.516 4.974 4.470 -0.021 0.000 0.307 98 S C 0.458 175.134 174.600 0.126 0.000 1.119 98 S CA -1.418 56.818 58.200 0.061 0.000 0.937 98 S CB 3.777 67.002 63.200 0.043 0.000 1.150 98 S HN 0.166 9.361 8.310 0.268 -0.724 0.521 99 Q N 0.069 119.906 119.800 0.062 0.000 2.248 99 Q HA -0.310 4.080 4.340 0.084 0.000 0.208 99 Q C 1.603 177.640 176.000 0.062 0.000 0.984 99 Q CA 3.018 58.859 55.803 0.064 0.000 0.875 99 Q CB -0.380 28.376 28.738 0.030 0.000 0.910 99 Q HN 0.652 8.939 8.270 0.028 0.000 0.433 100 N N -0.858 117.874 118.700 0.053 0.000 2.381 100 N HA -0.227 4.527 4.740 0.023 0.000 0.182 100 N C 0.783 176.315 175.510 0.038 0.000 1.025 100 N CA 1.865 54.935 53.050 0.034 0.000 0.888 100 N CB -0.202 38.298 38.487 0.021 0.000 0.965 100 N HN -0.435 7.900 8.380 0.052 0.076 0.438 101 D N -1.375 119.070 120.400 0.075 0.000 2.348 101 D HA 0.001 4.644 4.640 0.004 0.000 0.211 101 D C -0.916 175.407 176.300 0.039 0.000 0.998 101 D CA -0.025 54.008 54.000 0.055 0.000 0.873 101 D CB 0.194 41.052 40.800 0.098 0.000 0.925 101 D HN 0.150 nan 8.370 nan 0.000 0.524 102 L N 0.532 121.792 121.223 0.061 0.000 2.410 102 L HA -0.141 4.211 4.340 0.020 0.000 0.273 102 L C -0.078 176.809 176.870 0.027 0.000 1.152 102 L CA 0.035 54.899 54.840 0.041 0.000 0.855 102 L CB 0.536 42.630 42.059 0.058 0.000 1.129 102 L HN -0.668 7.576 8.230 0.084 0.037 0.463 103 V N -0.141 119.788 119.914 0.024 0.000 3.177 103 V HA 0.312 4.455 4.120 0.037 0.000 0.319 103 V C -0.838 175.286 176.094 0.051 0.000 1.125 103 V CA -2.755 59.569 62.300 0.040 0.000 1.029 103 V CB 2.095 33.951 31.823 0.055 0.000 1.119 103 V HN 0.218 8.416 8.190 0.013 0.000 0.452 104 E N 1.778 122.022 120.200 0.073 0.000 2.452 104 E HA -0.177 4.225 4.350 0.086 0.000 0.261 104 E C -0.706 175.993 176.600 0.164 0.000 0.987 104 E CA 0.872 57.333 56.400 0.102 0.000 0.926 104 E CB 0.514 30.276 29.700 0.102 0.000 0.934 104 E HN 0.063 8.465 8.360 0.071 0.000 0.452 105 Y N 3.168 123.484 120.300 0.026 0.000 2.908 105 Y HA -0.232 4.330 4.550 0.021 0.000 0.107 105 Y C -1.911 173.999 175.900 0.018 0.000 1.948 105 Y CA 0.672 58.786 58.100 0.023 0.000 1.029 105 Y CB -1.151 37.324 38.460 0.025 0.000 1.668 105 Y HN 0.329 8.704 8.280 0.157 0.000 0.326 106 S N 4.705 120.187 115.700 -0.364 0.000 2.399 106 S HA 0.354 4.838 4.470 -0.331 -0.212 0.198 106 S C -1.681 172.750 174.600 -0.281 0.000 1.294 106 S CA -2.220 55.806 58.200 -0.290 0.000 1.237 106 S CB 0.013 63.143 63.200 -0.116 0.000 1.286 106 S HN 0.613 8.759 8.310 -0.274 0.000 0.404 107 P HA -0.020 4.289 4.420 -0.185 0.000 0.221 107 P C -0.324 176.908 177.300 -0.113 0.000 1.150 107 P CA 1.996 64.945 63.100 -0.252 0.000 0.800 107 P CB 0.239 31.765 31.700 -0.289 0.000 0.787 108 V N -2.302 117.553 119.914 -0.098 0.000 2.436 108 V HA -0.086 4.069 4.120 0.058 0.000 0.240 108 V C 2.118 178.289 176.094 0.128 0.000 1.040 108 V CA 3.380 65.695 62.300 0.025 0.000 1.052 108 V CB 0.302 32.122 31.823 -0.004 0.000 0.707 108 V HN -0.029 8.293 8.190 -0.163 -0.229 0.469 109 T N -0.153 114.429 114.554 0.047 0.000 2.881 109 T HA -0.275 4.234 4.350 0.266 0.000 0.270 109 T C 2.163 177.001 174.700 0.230 0.000 1.068 109 T CA 3.608 65.790 62.100 0.137 0.000 1.131 109 T CB -0.111 68.679 68.868 -0.131 0.000 0.871 109 T HN -0.115 8.441 8.240 -0.043 -0.342 0.479 110 E N 0.176 120.431 120.200 0.092 0.000 2.409 110 E HA -0.209 4.214 4.350 0.122 0.000 0.198 110 E C 1.082 177.697 176.600 0.025 0.000 1.024 110 E CA 2.188 58.631 56.400 0.073 0.000 0.861 110 E CB -0.899 28.809 29.700 0.013 0.000 0.788 110 E HN -0.326 8.029 8.360 0.028 0.023 0.521 111 K N -2.665 117.725 120.400 -0.016 0.000 2.374 111 K HA 0.136 4.360 4.320 -0.159 0.000 0.196 111 K C 0.081 176.423 176.600 -0.430 0.000 1.023 111 K CA -0.705 55.452 56.287 -0.217 0.000 1.103 111 K CB 0.365 32.688 32.500 -0.295 0.000 0.848 111 K HN -0.467 7.642 8.250 0.045 0.167 0.528 112 H N -1.358 117.744 119.070 0.054 0.000 2.510 112 H HA 0.307 4.855 4.556 -0.012 0.000 0.266 112 H C -0.359 174.880 175.328 -0.150 0.000 1.146 112 H CA -1.074 54.982 56.048 0.014 0.000 0.993 112 H CB 0.469 30.281 29.762 0.083 0.000 1.727 112 H HN -0.572 7.721 8.280 0.128 0.065 0.590 113 L N -1.334 119.817 121.223 -0.120 0.000 2.083 113 L HA -0.270 3.702 4.340 -0.614 0.000 0.209 113 L C 1.226 177.957 176.870 -0.231 0.000 1.083 113 L CA 3.334 57.998 54.840 -0.293 0.000 0.752 113 L CB -0.162 41.821 42.059 -0.126 0.000 0.899 113 L HN -0.163 8.029 8.230 -0.063 0.000 0.433 114 T N -2.704 111.784 114.554 -0.110 0.000 2.777 114 T HA -0.180 4.132 4.350 -0.064 0.000 0.266 114 T C 0.667 175.363 174.700 -0.007 0.000 1.040 114 T CA 3.415 65.480 62.100 -0.057 0.000 1.141 114 T CB -0.020 68.827 68.868 -0.036 0.000 0.868 114 T HN -0.139 8.045 8.240 -0.092 0.000 0.444 115 D N -1.552 118.854 120.400 0.010 0.000 2.469 115 D HA 0.153 4.878 4.640 0.142 0.000 0.215 115 D C -0.072 176.231 176.300 0.006 0.000 1.154 115 D CA 0.161 54.207 54.000 0.077 0.000 0.832 115 D CB 1.137 41.982 40.800 0.074 0.000 1.008 115 D HN -0.300 8.066 8.370 -0.006 0.000 0.506 116 G N -0.620 108.118 108.800 -0.103 0.000 2.750 116 G HA2 -0.374 3.462 3.960 -0.274 0.000 0.228 116 G HA3 -0.374 3.524 3.960 -0.386 -0.170 0.228 116 G C -1.931 172.942 174.900 -0.044 0.000 1.367 116 G CA -0.160 44.821 45.100 -0.198 0.000 0.871 116 G HN -0.337 7.883 8.290 -0.116 0.000 0.560 117 M N -1.576 118.023 119.600 -0.002 0.000 2.531 117 M HA 0.528 5.078 4.480 -0.105 -0.133 0.286 117 M C -0.911 175.349 176.300 -0.067 0.000 1.232 117 M CA -0.870 54.402 55.300 -0.046 0.000 0.877 117 M CB 5.623 38.210 32.600 -0.020 0.000 1.726 117 M HN 0.009 8.308 8.290 0.015 0.000 0.463 118 T N -1.273 113.237 114.554 -0.073 0.000 2.849 118 T HA 0.503 5.211 4.350 -0.047 -0.387 0.284 118 T C 1.561 176.233 174.700 -0.046 0.000 1.004 118 T CA -1.340 60.731 62.100 -0.047 0.000 1.021 118 T CB 1.305 70.159 68.868 -0.022 0.000 1.013 118 T HN 0.338 8.858 8.240 -0.085 -0.330 0.527 119 V N 2.890 122.790 119.914 -0.023 0.000 2.255 119 V HA -0.545 nan 4.120 nan 0.000 0.247 119 V C 1.562 177.634 176.094 -0.036 0.000 1.051 119 V CA 5.099 67.382 62.300 -0.030 0.000 1.018 119 V CB -0.439 31.386 31.823 0.004 0.000 0.641 119 V HN 0.252 8.435 8.190 -0.011 0.000 0.445 120 R N -0.902 119.631 120.500 0.054 0.000 2.112 120 R HA -0.502 4.020 4.340 0.303 0.000 0.242 120 R C 2.157 178.463 176.300 0.010 0.000 1.137 120 R CA 3.905 60.102 56.100 0.163 0.000 0.944 120 R CB -0.245 30.179 30.300 0.207 0.000 0.857 120 R HN 0.029 8.227 8.270 0.061 0.107 0.435 121 E N -1.170 119.006 120.200 -0.039 0.000 2.110 121 E HA -0.294 4.012 4.350 -0.073 0.000 0.193 121 E C 2.638 179.120 176.600 -0.197 0.000 0.988 121 E CA 2.966 59.304 56.400 -0.104 0.000 0.804 121 E CB -0.209 29.418 29.700 -0.122 0.000 0.745 121 E HN -0.663 7.684 8.360 -0.022 0.000 0.458 122 L N -0.545 120.555 121.223 -0.204 0.000 2.056 122 L HA -0.296 3.910 4.340 -0.223 0.000 0.207 122 L C 2.062 178.709 176.870 -0.371 0.000 1.078 122 L CA 3.473 58.167 54.840 -0.243 0.000 0.749 122 L CB -0.165 41.779 42.059 -0.192 0.000 0.901 122 L HN -0.022 8.008 8.230 -0.162 0.103 0.433 123 c N -1.414 116.858 118.600 -0.547 0.000 2.425 123 c HA -0.275 3.884 4.570 -0.685 0.000 0.277 123 c C 2.497 175.923 174.090 -1.107 0.000 1.280 123 c CA 3.410 59.176 56.329 -0.939 0.000 1.744 123 c CB -2.076 39.481 42.510 -1.589 0.000 1.989 123 c HN -0.089 7.861 8.230 -0.468 0.000 0.491 124 S N -0.056 115.040 115.700 -1.007 0.000 2.359 124 S HA -0.428 3.554 4.470 -0.814 0.000 0.224 124 S C 1.741 176.139 174.600 -0.336 0.000 1.035 124 S CA 3.883 61.707 58.200 -0.628 0.000 1.018 124 S CB -0.115 62.974 63.200 -0.186 0.000 0.876 124 S HN -0.270 7.537 8.310 -0.838 0.000 0.448 125 A N 1.422 124.076 122.820 -0.277 0.000 1.877 125 A HA -0.215 4.024 4.320 -0.135 0.000 0.216 125 A C 1.983 179.456 177.584 -0.184 0.000 1.186 125 A CA 2.892 54.819 52.037 -0.184 0.000 0.620 125 A CB -0.624 18.277 19.000 -0.166 0.000 0.822 125 A HN -0.216 7.754 8.150 -0.299 0.000 0.443 126 A N -1.005 121.668 122.820 -0.245 0.000 1.883 126 A HA -0.263 4.104 4.320 -0.166 -0.146 0.217 126 A C 2.515 179.981 177.584 -0.197 0.000 1.186 126 A CA 2.512 54.416 52.037 -0.221 0.000 0.624 126 A CB -0.714 18.117 19.000 -0.282 0.000 0.822 126 A HN 0.022 7.993 8.150 -0.298 0.000 0.444 127 I N -1.531 118.893 120.570 -0.244 0.000 2.339 127 I HA -0.260 3.832 4.170 -0.130 0.000 0.245 127 I C 2.013 178.088 176.117 -0.070 0.000 1.096 127 I CA 0.936 62.148 61.300 -0.146 0.000 1.408 127 I CB -0.005 37.923 38.000 -0.119 0.000 1.092 127 I HN -0.261 nan 8.210 nan 0.000 0.423 128 T N -2.150 112.360 114.554 -0.073 0.000 2.985 128 T HA -0.075 4.278 4.350 0.005 0.000 0.266 128 T C 1.331 176.032 174.700 0.002 0.000 1.076 128 T CA 2.174 64.265 62.100 -0.014 0.000 1.135 128 T CB 0.686 69.557 68.868 0.005 0.000 0.890 128 T HN 0.059 8.221 8.240 -0.129 0.000 0.480 129 M N 0.446 120.043 119.600 -0.005 0.000 2.308 129 M HA 0.346 4.870 4.480 0.074 0.000 0.269 129 M C -0.081 176.305 176.300 0.143 0.000 1.040 129 M CA -1.772 53.557 55.300 0.050 0.000 1.024 129 M CB 0.805 33.404 32.600 -0.001 0.000 1.465 129 M HN -0.386 7.870 8.290 -0.042 0.008 0.517 130 S N -1.133 114.614 115.700 0.078 0.000 3.635 130 S HA -0.398 4.532 4.470 0.032 -0.441 0.328 130 S C -0.700 174.010 174.600 0.185 0.000 1.135 130 S CA 0.740 59.017 58.200 0.128 0.000 0.942 130 S CB -0.853 62.446 63.200 0.165 0.000 0.930 130 S HN -0.348 7.969 8.310 0.012 0.000 0.512 131 D N 0.798 121.201 120.400 0.006 0.000 2.450 131 D HA -0.170 4.335 4.640 -0.226 0.000 0.247 131 D C 0.486 176.766 176.300 -0.033 0.000 1.162 131 D CA 1.253 55.189 54.000 -0.107 0.000 0.879 131 D CB 0.793 41.495 40.800 -0.163 0.000 1.163 131 D HN -0.601 7.726 8.370 -0.036 0.022 0.472 132 N N 7.675 126.386 118.700 0.018 0.000 2.250 132 N HA -0.106 4.698 4.740 0.106 0.000 0.181 132 N C 1.957 177.487 175.510 0.034 0.000 1.017 132 N CA 2.790 55.889 53.050 0.081 0.000 0.866 132 N CB 0.407 38.983 38.487 0.148 0.000 0.985 132 N HN 0.366 8.736 8.380 -0.016 0.000 0.429 133 T N 3.667 118.200 114.554 -0.036 0.000 2.788 133 T HA -0.318 4.016 4.350 -0.027 0.000 0.268 133 T C 1.055 175.674 174.700 -0.134 0.000 1.044 133 T CA 4.951 67.002 62.100 -0.081 0.000 1.139 133 T CB -0.311 68.470 68.868 -0.145 0.000 0.867 133 T HN -0.699 7.574 8.240 -0.056 -0.067 0.454 134 A N 0.288 123.011 122.820 -0.163 0.000 1.908 134 A HA -0.302 3.876 4.320 -0.237 0.000 0.218 134 A C 1.462 178.976 177.584 -0.117 0.000 1.181 134 A CA 3.134 55.060 52.037 -0.183 0.000 0.627 134 A CB -1.014 17.871 19.000 -0.192 0.000 0.818 134 A HN -0.163 8.217 8.150 -0.154 -0.322 0.445 135 A N -1.859 120.922 122.820 -0.065 0.000 1.902 135 A HA -0.463 3.809 4.320 -0.081 0.000 0.217 135 A C 1.632 179.280 177.584 0.107 0.000 1.181 135 A CA 3.131 55.164 52.037 -0.007 0.000 0.623 135 A CB -0.594 18.431 19.000 0.042 0.000 0.818 135 A HN -0.459 7.655 8.150 -0.060 0.000 0.443 136 N N -0.986 117.810 118.700 0.160 0.000 2.120 136 N HA -0.260 4.745 4.740 0.442 0.000 0.188 136 N C 2.314 177.972 175.510 0.246 0.000 1.024 136 N CA 2.754 55.990 53.050 0.310 0.000 0.852 136 N CB -0.378 38.285 38.487 0.294 0.000 1.003 136 N HN -0.565 7.888 8.380 0.121 0.000 0.424 137 L N -0.411 120.851 121.223 0.066 0.000 2.046 137 L HA -0.356 4.023 4.340 0.065 0.000 0.208 137 L C 1.930 178.826 176.870 0.042 0.000 1.077 137 L CA 3.304 58.159 54.840 0.024 0.000 0.747 137 L CB -0.201 41.791 42.059 -0.111 0.000 0.896 137 L HN -0.036 8.195 8.230 0.002 0.000 0.432 138 L N -2.883 118.339 121.223 -0.002 0.000 2.093 138 L HA -0.333 3.990 4.340 -0.028 0.000 0.208 138 L C 3.062 179.936 176.870 0.007 0.000 1.085 138 L CA 2.745 57.571 54.840 -0.024 0.000 0.755 138 L CB -0.238 41.769 42.059 -0.086 0.000 0.904 138 L HN -0.445 7.771 8.230 -0.024 0.000 0.435 139 L N -1.284 119.960 121.223 0.035 0.000 2.191 139 L HA -0.404 3.884 4.340 -0.086 0.000 0.212 139 L C 1.625 178.514 176.870 0.032 0.000 1.103 139 L CA 3.095 57.898 54.840 -0.062 0.000 0.769 139 L CB -0.486 41.362 42.059 -0.352 0.000 0.908 139 L HN 0.281 8.472 8.230 0.070 0.081 0.438 140 T N -0.675 114.017 114.554 0.230 0.000 2.812 140 T HA -0.266 4.322 4.350 0.398 0.000 0.264 140 T C 1.919 176.700 174.700 0.136 0.000 1.042 140 T CA 5.255 67.525 62.100 0.282 0.000 1.140 140 T CB -0.357 68.657 68.868 0.244 0.000 0.870 140 T HN 0.075 8.404 8.240 0.246 0.058 0.445 141 T N 1.877 116.480 114.554 0.081 0.000 2.833 141 T HA -0.244 4.139 4.350 0.056 0.000 0.269 141 T C 1.139 175.859 174.700 0.034 0.000 1.054 141 T CA 3.197 65.325 62.100 0.047 0.000 1.135 141 T CB -0.023 68.858 68.868 0.021 0.000 0.869 141 T HN -0.443 7.472 8.240 0.076 0.371 0.466 142 I N -5.378 115.203 120.570 0.018 0.000 3.793 142 I HA 0.213 4.385 4.170 0.002 0.000 0.315 142 I C 0.153 176.279 176.117 0.016 0.000 1.275 142 I CA -0.341 60.958 61.300 -0.002 0.000 1.214 142 I CB 0.606 38.579 38.000 -0.046 0.000 1.018 142 I HN -0.656 7.558 8.210 0.014 0.004 0.439 143 G N -1.251 107.578 108.800 0.047 0.000 2.163 143 G HA2 -0.302 3.715 3.960 0.094 0.000 0.213 143 G HA3 -0.302 3.689 3.960 0.050 0.000 0.213 143 G C -0.378 174.560 174.900 0.063 0.000 0.991 143 G CA -0.565 44.576 45.100 0.067 0.000 0.653 143 G HN -0.529 7.731 8.290 0.063 0.069 0.518 144 G N -0.553 108.235 108.800 -0.019 0.000 2.592 144 G HA2 -0.251 3.469 3.960 -0.494 0.000 0.684 144 G HA3 -0.251 3.688 3.960 -0.034 0.000 0.684 144 G C -2.666 172.047 174.900 -0.312 0.000 1.291 144 G CA -0.426 44.545 45.100 -0.215 0.000 0.891 144 G HN -0.253 7.970 8.290 -0.036 0.045 0.544 145 P HA -0.319 3.890 4.420 -0.352 0.000 0.218 145 P C 0.442 177.645 177.300 -0.162 0.000 1.146 145 P CA 2.214 65.094 63.100 -0.365 0.000 0.813 145 P CB 0.245 31.662 31.700 -0.473 0.000 0.778 146 K N -3.473 116.871 120.400 -0.093 0.000 2.155 146 K HA -0.227 4.068 4.320 -0.041 0.000 0.203 146 K C 1.934 178.528 176.600 -0.010 0.000 1.052 146 K CA 3.255 59.520 56.287 -0.037 0.000 0.948 146 K CB -0.326 32.168 32.500 -0.009 0.000 0.728 146 K HN 0.065 8.187 8.250 -0.089 0.074 0.448 147 E N -2.264 117.930 120.200 -0.010 0.000 2.230 147 E HA -0.189 nan 4.350 nan 0.000 0.192 147 E C 1.322 177.960 176.600 0.062 0.000 0.987 147 E CA 1.902 58.320 56.400 0.029 0.000 0.841 147 E CB -0.218 29.497 29.700 0.024 0.000 0.783 147 E HN -0.508 7.814 8.360 -0.032 0.019 0.481 148 L N -1.248 119.989 121.223 0.023 0.000 2.056 148 L HA -0.180 4.231 4.340 0.119 0.000 0.207 148 L C 1.438 178.407 176.870 0.164 0.000 1.078 148 L CA 2.619 57.513 54.840 0.091 0.000 0.749 148 L CB -0.057 42.026 42.059 0.039 0.000 0.901 148 L HN -0.632 7.315 8.230 -0.035 0.262 0.433 149 T N 1.646 116.247 114.554 0.078 0.000 2.777 149 T HA -0.366 4.045 4.350 0.103 0.000 0.266 149 T C 1.647 176.414 174.700 0.113 0.000 1.040 149 T CA 5.251 67.400 62.100 0.082 0.000 1.141 149 T CB -0.600 68.280 68.868 0.020 0.000 0.868 149 T HN -0.161 8.083 8.240 0.027 0.012 0.444 150 A N 1.222 124.099 122.820 0.095 0.000 1.902 150 A HA -0.337 4.021 4.320 0.064 0.000 0.217 150 A C 2.247 179.925 177.584 0.158 0.000 1.181 150 A CA 2.854 54.949 52.037 0.096 0.000 0.623 150 A CB -0.692 18.347 19.000 0.064 0.000 0.818 150 A HN -0.022 8.086 8.150 0.073 0.086 0.443 151 F N 1.986 121.970 119.950 0.056 0.000 2.091 151 F HA -0.372 4.191 4.527 0.061 0.000 0.299 151 F C 1.214 177.063 175.800 0.081 0.000 1.103 151 F CA 1.208 59.246 58.000 0.063 0.000 1.228 151 F CB 0.148 39.178 39.000 0.050 0.000 0.984 151 F HN -0.115 nan 8.300 nan 0.000 0.477 152 L N -1.548 119.702 121.223 0.045 0.000 2.017 152 L HA -0.553 3.645 4.340 -0.236 0.000 0.208 152 L C 1.870 178.717 176.870 -0.038 0.000 1.073 152 L CA 2.551 57.359 54.840 -0.053 0.000 0.745 152 L CB -0.216 41.913 42.059 0.117 0.000 0.894 152 L HN -0.267 8.093 8.230 0.240 0.013 0.432 153 H N 0.195 119.257 119.070 -0.013 0.000 2.387 153 H HA -0.253 4.788 4.556 0.160 -0.390 0.299 153 H C 2.899 178.245 175.328 0.029 0.000 1.090 153 H CA 3.785 59.857 56.048 0.040 0.000 1.332 153 H CB 0.135 29.865 29.762 -0.054 0.000 1.386 153 H HN 0.264 8.637 8.280 0.174 0.012 0.516 154 N N 0.550 119.289 118.700 0.065 0.000 2.512 154 N HA -0.144 nan 4.740 nan 0.000 0.183 154 N C 0.518 175.959 175.510 -0.115 0.000 1.073 154 N CA 1.942 54.998 53.050 0.011 0.000 0.911 154 N CB 0.161 38.658 38.487 0.016 0.000 0.964 154 N HN -0.156 8.141 8.380 0.062 0.120 0.447 155 M N -4.946 114.510 119.600 -0.239 0.000 2.475 155 M HA 0.288 4.656 4.480 -0.187 0.000 0.283 155 M C 0.126 176.316 176.300 -0.183 0.000 1.165 155 M CA -2.090 53.062 55.300 -0.246 0.000 0.976 155 M CB -0.225 32.127 32.600 -0.414 0.000 1.428 155 M HN -0.671 7.306 8.290 -0.278 0.147 0.495 156 G N -2.433 106.265 108.800 -0.171 0.000 2.159 156 G HA2 -0.297 3.469 3.960 -0.324 0.000 0.227 156 G HA3 -0.297 3.522 3.960 -0.236 0.000 0.227 156 G C -0.887 173.844 174.900 -0.281 0.000 0.986 156 G CA -0.073 44.873 45.100 -0.256 0.000 0.651 156 G HN -0.198 7.743 8.290 -0.145 0.262 0.523 157 D N 1.803 122.133 120.400 -0.116 0.000 2.443 157 D HA 0.183 4.773 4.640 -0.084 0.000 0.221 157 D C -1.026 175.337 176.300 0.104 0.000 1.097 157 D CA -1.508 52.468 54.000 -0.040 0.000 0.865 157 D CB -0.225 40.569 40.800 -0.010 0.000 1.034 157 D HN -0.338 7.922 8.370 -0.099 0.050 0.511 158 H N 4.596 123.597 119.070 -0.116 0.000 2.529 158 H HA 0.026 4.581 4.556 -0.003 0.000 0.277 158 H C -0.147 175.196 175.328 0.025 0.000 1.004 158 H CA 0.050 56.066 56.048 -0.053 0.000 1.167 158 H CB 0.575 30.277 29.762 -0.100 0.000 1.445 158 H HN 0.217 8.507 8.280 0.017 0.000 0.554 159 V N -1.220 118.767 119.914 0.123 0.000 2.840 159 V HA 0.095 4.258 4.120 0.071 0.000 0.234 159 V C -0.258 175.872 176.094 0.059 0.000 1.159 159 V CA 1.331 63.675 62.300 0.074 0.000 1.194 159 V CB 1.213 33.066 31.823 0.050 0.000 0.971 159 V HN -0.077 8.521 8.190 0.110 -0.342 0.494 160 T N 4.119 118.711 114.554 0.063 0.000 2.928 160 T HA -0.065 4.494 4.350 0.040 -0.184 0.305 160 T C -0.876 173.854 174.700 0.051 0.000 1.035 160 T CA 2.915 65.049 62.100 0.056 0.000 1.145 160 T CB 0.152 69.068 68.868 0.080 0.000 0.963 160 T HN -0.134 8.815 8.240 0.068 -0.669 0.545 161 R N 1.957 122.469 120.500 0.019 0.000 2.584 161 R HA 0.352 4.699 4.340 0.013 0.000 0.276 161 R C -2.770 173.500 176.300 -0.050 0.000 1.046 161 R CA -1.592 54.505 56.100 -0.004 0.000 0.906 161 R CB 3.187 33.479 30.300 -0.013 0.000 1.215 161 R HN 0.228 8.503 8.270 0.009 0.000 0.449 162 L N 2.196 123.370 121.223 -0.082 0.000 2.329 162 L HA 0.339 4.663 4.340 -0.207 -0.108 0.279 162 L C -1.986 174.779 176.870 -0.176 0.000 1.014 162 L CA -0.799 53.929 54.840 -0.187 0.000 0.814 162 L CB 3.411 45.298 42.059 -0.288 0.000 1.257 162 L HN 0.368 8.565 8.230 -0.054 0.000 0.424 163 D N 3.351 123.639 120.400 -0.187 0.000 2.461 163 D HA 0.198 4.773 4.640 -0.108 0.000 0.266 163 D C -0.008 176.219 176.300 -0.122 0.000 1.085 163 D CA 1.508 55.433 54.000 -0.125 0.000 0.887 163 D CB 3.385 44.141 40.800 -0.074 0.000 1.309 163 D HN 0.628 9.251 8.370 -0.214 -0.381 0.498 164 R N -1.738 118.661 120.500 -0.168 0.000 2.950 164 R HA 0.283 4.669 4.340 0.078 0.000 0.253 164 R C -1.880 174.302 176.300 -0.196 0.000 1.168 164 R CA -1.258 54.809 56.100 -0.054 0.000 1.014 164 R CB 3.118 33.428 30.300 0.017 0.000 1.228 164 R HN -0.424 7.977 8.270 -0.222 -0.264 0.487 165 W N -3.775 117.475 121.300 -0.082 0.000 2.594 165 W HA 0.096 4.712 4.660 -0.074 0.000 0.365 165 W C -0.255 176.246 176.519 -0.030 0.000 1.196 165 W CA -1.290 56.021 57.345 -0.056 0.000 1.258 165 W CB 1.161 30.609 29.460 -0.019 0.000 1.405 165 W HN 0.095 8.517 8.180 0.403 0.000 0.640 166 E N 0.948 121.318 120.200 0.283 0.000 2.344 166 E HA 0.033 4.479 4.350 0.159 0.000 0.270 166 E C -0.882 175.817 176.600 0.165 0.000 1.021 166 E CA -1.158 55.361 56.400 0.198 0.000 0.887 166 E CB -0.417 29.405 29.700 0.204 0.000 0.997 166 E HN -0.296 8.559 8.360 0.345 -0.288 0.429 167 P HA 0.169 4.658 4.420 0.115 0.000 0.245 167 P C 0.439 177.788 177.300 0.082 0.000 1.199 167 P CA 1.010 64.171 63.100 0.101 0.000 0.807 167 P CB 1.091 32.838 31.700 0.079 0.000 1.002 168 E N 0.684 120.931 120.200 0.079 0.000 2.265 168 E HA -0.228 4.150 4.350 0.046 0.000 0.196 168 E C 2.200 178.818 176.600 0.031 0.000 0.996 168 E CA 3.003 59.435 56.400 0.054 0.000 0.832 168 E CB -1.036 28.698 29.700 0.057 0.000 0.756 168 E HN -0.204 8.215 8.360 0.097 0.000 0.491 169 L N -5.501 115.731 121.223 0.015 0.000 2.450 169 L HA -0.050 4.414 4.340 -0.053 -0.156 0.224 169 L C 0.459 177.321 176.870 -0.014 0.000 1.149 169 L CA 2.097 56.909 54.840 -0.046 0.000 0.816 169 L CB -0.615 41.341 42.059 -0.171 0.000 0.932 169 L HN -0.559 7.652 8.230 0.035 0.040 0.449 170 N N -1.775 116.942 118.700 0.029 0.000 2.314 170 N HA -0.028 4.740 4.740 0.047 0.000 0.200 170 N C -0.001 175.530 175.510 0.034 0.000 1.135 170 N CA 0.745 53.822 53.050 0.045 0.000 0.835 170 N CB 0.272 38.799 38.487 0.066 0.000 0.989 170 N HN -0.605 7.745 8.380 0.040 0.054 0.478 171 E N 0.103 120.316 120.200 0.021 0.000 2.358 171 E HA -0.163 4.202 4.350 0.024 0.000 0.195 171 E C -1.432 175.177 176.600 0.015 0.000 1.010 171 E CA 1.312 57.724 56.400 0.019 0.000 0.856 171 E CB 0.239 29.948 29.700 0.014 0.000 0.795 171 E HN -0.720 7.572 8.360 0.014 0.077 0.504 172 A N -4.490 118.336 122.820 0.010 0.000 2.791 172 A HA -0.256 4.065 4.320 0.003 0.000 0.292 172 A C -1.456 176.127 177.584 -0.000 0.000 1.487 172 A CA 0.189 52.232 52.037 0.010 0.000 0.760 172 A CB -1.323 17.696 19.000 0.032 0.000 1.031 172 A HN 0.133 8.287 8.150 0.006 0.000 0.503 173 I N -1.553 119.011 120.570 -0.009 0.000 2.618 173 I HA -0.044 4.122 4.170 -0.007 0.000 0.284 173 I C -1.183 174.919 176.117 -0.026 0.000 1.146 173 I CA -3.941 57.351 61.300 -0.013 0.000 1.425 173 I CB -1.224 36.768 38.000 -0.014 0.000 1.383 173 I HN -0.137 8.067 8.210 -0.010 0.000 0.562 174 P HA 0.017 4.407 4.420 -0.049 0.000 0.265 174 P C -0.425 176.847 177.300 -0.047 0.000 1.193 174 P CA 1.401 64.478 63.100 -0.039 0.000 0.765 174 P CB 0.148 31.831 31.700 -0.028 0.000 0.823 175 N N -2.095 116.564 118.700 -0.068 0.000 2.936 175 N HA -0.369 4.321 4.740 -0.084 0.000 0.236 175 N C -1.392 174.082 175.510 -0.060 0.000 0.930 175 N CA 1.560 54.569 53.050 -0.068 0.000 0.966 175 N CB -0.354 38.102 38.487 -0.052 0.000 1.090 175 N HN 0.275 8.604 8.380 -0.084 0.000 0.592 176 D N 0.028 120.394 120.400 -0.056 0.000 2.308 176 D HA 0.109 4.723 4.640 -0.042 0.000 0.251 176 D C -0.002 176.264 176.300 -0.058 0.000 1.127 176 D CA 0.006 53.977 54.000 -0.048 0.000 0.876 176 D CB 0.843 41.620 40.800 -0.038 0.000 1.176 176 D HN -0.534 7.717 8.370 -0.056 0.085 0.446 177 E N 3.179 123.348 120.200 -0.051 0.000 2.442 177 E HA -0.036 4.276 4.350 -0.063 0.000 0.195 177 E C 0.597 177.167 176.600 -0.049 0.000 1.030 177 E CA 0.204 56.572 56.400 -0.053 0.000 0.869 177 E CB 0.320 29.994 29.700 -0.044 0.000 0.857 177 E HN 0.291 8.624 8.360 -0.045 0.000 0.505 178 R N 0.528 121.000 120.500 -0.046 0.000 2.585 178 R HA -0.387 4.117 4.340 -0.052 -0.196 0.275 178 R C -0.309 175.952 176.300 -0.065 0.000 1.018 178 R CA 1.730 57.799 56.100 -0.052 0.000 1.072 178 R CB 0.053 30.326 30.300 -0.044 0.000 0.953 178 R HN -0.667 7.827 8.270 -0.043 -0.249 0.419 179 D N -2.828 117.522 120.400 -0.084 0.000 2.870 179 D HA -0.373 4.333 4.640 -0.136 -0.148 0.228 179 D C -1.016 175.237 176.300 -0.079 0.000 1.147 179 D CA 1.650 55.586 54.000 -0.108 0.000 0.757 179 D CB -1.572 39.153 40.800 -0.125 0.000 1.091 179 D HN 0.188 8.773 8.370 -0.084 -0.265 0.429 180 T N -7.091 107.424 114.554 -0.066 0.000 2.942 180 T HA 0.791 5.219 4.350 -0.091 -0.132 0.289 180 T C -1.281 173.389 174.700 -0.049 0.000 1.044 180 T CA -2.053 60.004 62.100 -0.071 0.000 1.023 180 T CB 3.773 72.596 68.868 -0.075 0.000 1.123 180 T HN -0.774 7.411 8.240 -0.060 0.020 0.512 181 T N -0.151 114.359 114.554 -0.073 0.000 2.716 181 T HA 0.408 4.765 4.350 0.011 0.000 0.286 181 T C -1.698 173.009 174.700 0.012 0.000 1.052 181 T CA -1.984 60.106 62.100 -0.016 0.000 1.024 181 T CB 1.988 70.869 68.868 0.022 0.000 1.349 181 T HN 0.282 8.444 8.240 -0.130 0.000 0.525 182 T N -2.583 112.018 114.554 0.077 0.000 2.932 182 T HA 0.879 5.511 4.350 0.215 -0.153 0.289 182 T C -1.025 173.794 174.700 0.198 0.000 1.039 182 T CA -3.895 58.295 62.100 0.150 0.000 1.024 182 T CB 1.129 70.060 68.868 0.104 0.000 1.090 182 T HN 0.272 8.557 8.240 0.076 0.000 0.496 183 P HA -0.299 4.292 4.420 0.284 0.000 0.215 183 P C 0.326 177.689 177.300 0.105 0.000 1.157 183 P CA 3.140 66.358 63.100 0.197 0.000 0.874 183 P CB -0.086 31.691 31.700 0.128 0.000 0.790 184 A N -3.808 119.057 122.820 0.074 0.000 1.902 184 A HA -0.252 4.075 4.320 0.012 0.000 0.217 184 A C 1.911 179.516 177.584 0.035 0.000 1.181 184 A CA 3.034 55.090 52.037 0.032 0.000 0.623 184 A CB -0.874 18.137 19.000 0.019 0.000 0.818 184 A HN -0.054 8.148 8.150 0.086 0.000 0.443 185 A N -0.813 122.038 122.820 0.052 0.000 1.877 185 A HA -0.239 4.092 4.320 0.019 0.000 0.216 185 A C 1.718 179.340 177.584 0.063 0.000 1.186 185 A CA 2.718 54.781 52.037 0.043 0.000 0.620 185 A CB -0.386 18.643 19.000 0.048 0.000 0.822 185 A HN -0.300 7.889 8.150 0.065 0.000 0.443 186 M N -0.265 119.399 119.600 0.108 0.000 2.117 186 M HA -0.376 4.180 4.480 0.128 0.000 0.262 186 M C 1.720 178.074 176.300 0.090 0.000 1.065 186 M CA 2.011 57.392 55.300 0.134 0.000 1.114 186 M CB -0.562 32.182 32.600 0.240 0.000 1.361 186 M HN -0.254 8.112 8.290 0.126 0.000 0.408 187 A N -2.580 120.277 122.820 0.062 0.000 1.877 187 A HA -0.371 3.967 4.320 0.029 0.000 0.216 187 A C 1.904 179.498 177.584 0.017 0.000 1.186 187 A CA 3.579 55.631 52.037 0.025 0.000 0.620 187 A CB -0.890 18.103 19.000 -0.012 0.000 0.822 187 A HN 0.010 8.202 8.150 0.069 0.000 0.443 188 T N -3.509 111.051 114.554 0.009 0.000 2.904 188 T HA -0.239 nan 4.350 nan 0.000 0.267 188 T C 2.227 176.929 174.700 0.003 0.000 1.059 188 T CA 4.031 66.128 62.100 -0.005 0.000 1.137 188 T CB -0.726 68.129 68.868 -0.022 0.000 0.879 188 T HN -0.184 8.063 8.240 0.011 0.000 0.467 189 T N 5.921 120.488 114.554 0.021 0.000 2.746 189 T HA -0.317 4.039 4.350 0.010 0.000 0.267 189 T C 1.329 176.063 174.700 0.057 0.000 1.039 189 T CA 5.753 67.873 62.100 0.033 0.000 1.142 189 T CB -0.346 68.556 68.868 0.058 0.000 0.866 189 T HN -0.146 8.111 8.240 0.028 0.000 0.444 190 L N 1.224 122.486 121.223 0.066 0.000 2.046 190 L HA -0.338 4.057 4.340 0.091 0.000 0.208 190 L C 0.751 177.656 176.870 0.058 0.000 1.077 190 L CA 3.152 58.036 54.840 0.075 0.000 0.747 190 L CB -0.431 41.673 42.059 0.076 0.000 0.896 190 L HN 0.072 8.341 8.230 0.065 0.000 0.432 191 R N -1.508 119.013 120.500 0.036 0.000 2.091 191 R HA -0.452 3.904 4.340 0.026 0.000 0.238 191 R C 2.400 178.711 176.300 0.018 0.000 1.136 191 R CA 3.533 59.645 56.100 0.021 0.000 0.959 191 R CB -0.153 30.148 30.300 0.002 0.000 0.856 191 R HN -0.256 8.032 8.270 0.031 0.000 0.437 192 K N -1.840 118.569 120.400 0.015 0.000 2.211 192 K HA -0.257 4.064 4.320 0.001 0.000 0.203 192 K C 2.525 179.146 176.600 0.034 0.000 1.050 192 K CA 2.925 59.217 56.287 0.009 0.000 0.945 192 K CB -0.277 32.216 32.500 -0.012 0.000 0.732 192 K HN -0.593 7.665 8.250 0.013 0.000 0.451 193 L N -1.544 119.716 121.223 0.061 0.000 2.141 193 L HA -0.287 4.115 4.340 0.103 0.000 0.209 193 L C 1.796 178.707 176.870 0.067 0.000 1.094 193 L CA 2.518 57.412 54.840 0.090 0.000 0.763 193 L CB 0.143 42.275 42.059 0.123 0.000 0.908 193 L HN -0.231 7.935 8.230 0.061 0.101 0.437 194 L N -3.509 117.746 121.223 0.054 0.000 2.585 194 L HA -0.061 nan 4.340 nan 0.000 0.226 194 L C 0.394 177.274 176.870 0.016 0.000 1.113 194 L CA 0.314 55.180 54.840 0.043 0.000 0.876 194 L CB -0.351 41.740 42.059 0.055 0.000 1.072 194 L HN -0.553 7.546 8.230 0.052 0.161 0.468 195 T N -6.498 108.062 114.554 0.011 0.000 2.812 195 T HA 0.183 4.530 4.350 -0.006 0.000 0.294 195 T C -0.635 174.063 174.700 -0.003 0.000 1.159 195 T CA -0.888 61.209 62.100 -0.005 0.000 1.008 195 T CB 2.021 70.881 68.868 -0.013 0.000 1.289 195 T HN -0.747 nan 8.240 nan 0.000 0.514 196 G N 0.595 109.390 108.800 -0.010 0.000 2.578 196 G HA2 -0.358 3.599 3.960 -0.006 0.000 0.275 196 G HA3 -0.358 3.720 3.960 -0.000 -0.118 0.275 196 G C -0.439 174.461 174.900 -0.001 0.000 1.271 196 G CA 0.483 45.578 45.100 -0.008 0.000 0.941 196 G HN -0.199 8.082 8.290 -0.015 0.000 0.564 197 E N -0.475 119.726 120.200 0.002 0.000 2.526 197 E HA 0.115 4.470 4.350 0.008 0.000 0.208 197 E C -0.370 176.242 176.600 0.021 0.000 0.997 197 E CA -0.413 55.992 56.400 0.008 0.000 0.961 197 E CB 0.223 29.925 29.700 0.003 0.000 1.030 197 E HN 0.303 8.662 8.360 -0.002 0.000 0.483 198 L N -4.658 116.583 121.223 0.031 0.000 2.291 198 L HA -0.102 nan 4.340 nan 0.000 0.214 198 L C -0.121 176.798 176.870 0.082 0.000 1.120 198 L CA 0.683 55.557 54.840 0.056 0.000 0.799 198 L CB -0.354 41.734 42.059 0.047 0.000 0.925 198 L HN -0.684 7.502 8.230 0.026 0.059 0.446 199 L N -2.667 118.595 121.223 0.066 0.000 2.342 199 L HA 0.307 nan 4.340 nan 0.000 0.271 199 L C -0.368 176.519 176.870 0.028 0.000 1.008 199 L CA -1.852 53.022 54.840 0.057 0.000 0.818 199 L CB 2.702 44.794 42.059 0.056 0.000 1.296 199 L HN -0.958 7.233 8.230 0.055 0.072 0.427 200 T N -0.996 113.569 114.554 0.018 0.000 2.795 200 T HA -0.171 nan 4.350 nan 0.000 0.314 200 T C 1.446 176.141 174.700 -0.008 0.000 1.069 200 T CA -0.096 62.006 62.100 0.003 0.000 1.071 200 T CB 0.378 69.245 68.868 -0.001 0.000 0.988 200 T HN 0.527 9.301 8.240 0.022 -0.520 0.543 201 L N 2.503 123.718 121.223 -0.014 0.000 2.083 201 L HA -0.082 4.249 4.340 -0.015 0.000 0.209 201 L C 2.328 179.175 176.870 -0.038 0.000 1.083 201 L CA 1.183 56.009 54.840 -0.023 0.000 0.752 201 L CB -1.404 40.641 42.059 -0.023 0.000 0.899 201 L HN 0.218 nan 8.230 nan 0.000 0.433 202 A N -0.572 122.225 122.820 -0.039 0.000 1.873 202 A HA -0.092 4.187 4.320 -0.068 0.000 0.218 202 A C 1.321 178.859 177.584 -0.077 0.000 1.193 202 A CA 1.412 53.415 52.037 -0.058 0.000 0.629 202 A CB 0.019 18.993 19.000 -0.044 0.000 0.826 202 A HN 0.112 nan 8.150 nan 0.000 0.447 203 S N -0.593 115.075 115.700 -0.053 0.000 2.428 203 S HA -0.207 4.204 4.470 -0.099 0.000 0.230 203 S C 2.083 176.641 174.600 -0.071 0.000 1.014 203 S CA 1.223 59.386 58.200 -0.062 0.000 0.957 203 S CB -0.157 63.036 63.200 -0.011 0.000 0.784 203 S HN -0.087 8.006 8.310 -0.033 0.196 0.499 204 R N 1.354 121.829 120.500 -0.042 0.000 2.066 204 R HA -0.036 4.306 4.340 0.004 0.000 0.232 204 R C 2.539 178.806 176.300 -0.054 0.000 1.131 204 R CA 2.000 58.086 56.100 -0.024 0.000 0.955 204 R CB -0.376 29.920 30.300 -0.007 0.000 0.851 204 R HN 0.399 nan 8.270 nan 0.000 0.432 205 Q N 0.524 120.278 119.800 -0.076 0.000 2.119 205 Q HA -0.238 4.071 4.340 -0.051 0.000 0.201 205 Q C 2.348 178.234 176.000 -0.191 0.000 0.972 205 Q CA 1.259 57.008 55.803 -0.092 0.000 0.847 205 Q CB -0.677 28.013 28.738 -0.080 0.000 0.903 205 Q HN 0.427 nan 8.270 nan 0.000 0.433 206 Q N -0.301 119.321 119.800 -0.297 0.000 2.096 206 Q HA -0.228 3.744 4.340 -0.614 0.000 0.204 206 Q C 2.040 177.577 176.000 -0.770 0.000 0.982 206 Q CA 1.015 56.445 55.803 -0.622 0.000 0.850 206 Q CB -0.167 28.165 28.738 -0.677 0.000 0.901 206 Q HN 0.178 nan 8.270 nan 0.000 0.422 207 L N 0.130 121.121 121.223 -0.386 0.000 2.056 207 L HA -0.312 4.055 4.340 0.044 0.000 0.207 207 L C 1.567 178.447 176.870 0.018 0.000 1.078 207 L CA 2.560 57.355 54.840 -0.074 0.000 0.749 207 L CB 0.090 42.188 42.059 0.065 0.000 0.901 207 L HN -0.266 7.762 8.230 -0.283 0.032 0.433 208 I N 0.445 121.010 120.570 -0.007 0.000 2.226 208 I HA -0.657 3.583 4.170 0.117 0.000 0.245 208 I C 1.772 177.905 176.117 0.027 0.000 1.100 208 I CA 3.451 64.794 61.300 0.072 0.000 1.374 208 I CB -1.412 36.663 38.000 0.126 0.000 1.057 208 I HN 0.053 8.156 8.210 -0.039 0.084 0.413 209 D N 1.274 121.627 120.400 -0.079 0.000 2.133 209 D HA -0.201 4.415 4.640 -0.038 0.000 0.195 209 D C 2.414 178.729 176.300 0.024 0.000 0.997 209 D CA 2.091 56.038 54.000 -0.088 0.000 0.840 209 D CB -0.509 40.160 40.800 -0.220 0.000 0.947 209 D HN 0.139 nan 8.370 nan 0.000 0.452 210 W N -0.984 120.312 121.300 -0.006 0.000 2.381 210 W HA -0.220 4.426 4.660 -0.022 0.000 0.301 210 W C 0.731 177.234 176.519 -0.028 0.000 1.205 210 W CA 0.897 58.230 57.345 -0.020 0.000 1.285 210 W CB -0.241 29.205 29.460 -0.023 0.000 1.133 210 W HN -0.450 7.666 8.180 -0.106 0.000 0.521 211 M N -4.015 115.711 119.600 0.210 0.000 2.175 211 M HA -0.325 4.213 4.480 0.095 0.000 0.264 211 M C 3.089 179.396 176.300 0.011 0.000 1.063 211 M CA 3.619 58.978 55.300 0.099 0.000 1.119 211 M CB 0.443 33.100 32.600 0.095 0.000 1.377 211 M HN -0.467 7.958 8.290 0.224 0.000 0.415 212 E N 0.457 120.637 120.200 -0.034 0.000 2.204 212 E HA -0.095 4.485 4.350 -0.223 -0.364 0.194 212 E C 2.839 179.398 176.600 -0.068 0.000 0.989 212 E CA 2.199 58.512 56.400 -0.145 0.000 0.824 212 E CB -0.026 29.554 29.700 -0.201 0.000 0.756 212 E HN 0.214 8.573 8.360 -0.001 0.000 0.477 213 A N 0.307 123.132 122.820 0.007 0.000 2.276 213 A HA -0.007 4.316 4.320 0.005 0.000 0.212 213 A C 0.518 178.118 177.584 0.027 0.000 1.230 213 A CA -0.037 52.016 52.037 0.028 0.000 0.844 213 A CB -1.005 18.042 19.000 0.078 0.000 0.860 213 A HN -0.198 nan 8.150 nan 0.000 0.486 214 D N 0.078 120.487 120.400 0.015 0.000 2.520 214 D HA -0.151 4.500 4.640 0.019 0.000 0.243 214 D C -0.226 176.078 176.300 0.007 0.000 1.160 214 D CA 0.154 54.161 54.000 0.012 0.000 0.877 214 D CB 0.570 41.371 40.800 0.002 0.000 1.150 214 D HN 0.011 nan 8.370 nan 0.000 0.494 215 K N 3.007 123.416 120.400 0.016 0.000 2.354 215 K HA 0.081 nan 4.320 nan 0.000 0.194 215 K C 0.152 176.765 176.600 0.022 0.000 1.038 215 K CA 0.252 56.550 56.287 0.018 0.000 1.052 215 K CB 1.110 33.626 32.500 0.026 0.000 0.861 215 K HN 0.208 8.229 8.250 0.019 0.241 0.535 216 V N -5.694 114.234 119.914 0.023 0.000 2.915 216 V HA 0.214 4.348 4.120 0.024 0.000 0.364 216 V C -1.564 174.534 176.094 0.006 0.000 1.354 216 V CA -1.524 60.791 62.300 0.025 0.000 1.213 216 V CB -0.571 31.285 31.823 0.055 0.000 1.268 216 V HN -0.037 8.681 8.190 0.021 -0.515 0.557 217 A N -0.275 122.546 122.820 0.000 0.000 2.610 217 A HA 0.430 4.745 4.320 -0.009 0.000 0.291 217 A C 0.805 178.382 177.584 -0.011 0.000 1.116 217 A CA -0.665 51.368 52.037 -0.007 0.000 0.963 217 A CB -0.210 18.786 19.000 -0.007 0.000 1.220 217 A HN 0.284 8.963 8.150 0.002 -0.528 0.530 218 G N 1.393 110.188 108.800 -0.010 0.000 2.529 218 G HA2 -0.235 3.715 3.960 -0.017 0.000 0.219 218 G HA3 -0.235 3.718 3.960 -0.012 0.000 0.219 218 G C -1.099 173.790 174.900 -0.017 0.000 1.177 218 G CA 2.342 47.434 45.100 -0.013 0.000 0.773 218 G HN -0.048 8.140 8.290 -0.006 0.098 0.573 219 P HA 0.192 4.600 4.420 -0.021 0.000 0.255 219 P C -1.255 176.034 177.300 -0.019 0.000 1.301 219 P CA -0.206 62.883 63.100 -0.018 0.000 0.817 219 P CB -0.092 31.598 31.700 -0.016 0.000 1.259 220 L N -1.544 119.669 121.223 -0.018 0.000 2.644 220 L HA 0.060 4.390 4.340 -0.017 0.000 0.187 220 L C 1.437 178.298 176.870 -0.016 0.000 1.767 220 L CA -1.568 53.262 54.840 -0.016 0.000 3.065 220 L CB 0.334 42.385 42.059 -0.014 0.000 2.923 220 L HN -0.490 7.564 8.230 -0.017 0.166 0.799 221 L N -1.715 119.505 121.223 -0.006 0.000 2.187 221 L HA -0.283 4.057 4.340 -0.001 0.000 0.213 221 L C 2.677 179.537 176.870 -0.017 0.000 1.100 221 L CA 3.317 58.157 54.840 0.001 0.000 0.765 221 L CB -0.710 41.369 42.059 0.034 0.000 0.904 221 L HN 0.198 8.426 8.230 -0.003 0.000 0.437 222 R N -0.059 120.429 120.500 -0.020 0.000 2.193 222 R HA -0.301 4.018 4.340 -0.035 0.000 0.229 222 R C 3.252 179.523 176.300 -0.048 0.000 1.110 222 R CA 2.664 58.744 56.100 -0.033 0.000 0.988 222 R CB -0.811 29.472 30.300 -0.028 0.000 0.871 222 R HN 0.263 8.495 8.270 -0.016 0.028 0.458 223 S N 1.097 116.771 115.700 -0.044 0.000 2.481 223 S HA -0.084 4.389 4.470 0.004 0.000 0.231 223 S C 0.178 174.734 174.600 -0.073 0.000 0.996 223 S CA 1.192 59.361 58.200 -0.052 0.000 0.942 223 S CB 0.073 63.248 63.200 -0.040 0.000 0.768 223 S HN 0.298 nan 8.310 nan 0.000 0.520 224 A N -0.015 122.754 122.820 -0.085 0.000 2.390 224 A HA 0.185 4.435 4.320 -0.118 0.000 0.232 224 A C -1.439 176.026 177.584 -0.197 0.000 1.233 224 A CA -0.507 51.456 52.037 -0.123 0.000 0.907 224 A CB 0.782 19.723 19.000 -0.098 0.000 0.967 224 A HN -0.516 7.538 8.150 -0.071 0.054 0.512 225 L N 0.283 121.398 121.223 -0.180 0.000 2.276 225 L HA 0.311 4.437 4.340 -0.356 0.000 0.286 225 L C -2.618 174.054 176.870 -0.329 0.000 1.061 225 L CA -2.460 52.227 54.840 -0.255 0.000 0.807 225 L CB 1.175 43.170 42.059 -0.107 0.000 1.177 225 L HN -0.974 6.902 8.230 -0.128 0.278 0.429 226 P HA 0.032 4.239 4.420 -0.355 0.000 0.272 226 P C -1.311 175.862 177.300 -0.213 0.000 1.230 226 P CA -0.686 62.110 63.100 -0.507 0.000 0.788 226 P CB 0.720 31.893 31.700 -0.878 0.000 0.949 227 A N 1.399 124.163 122.820 -0.093 0.000 2.540 227 A HA -0.189 4.139 4.320 0.013 0.000 0.239 227 A C 1.294 178.958 177.584 0.133 0.000 1.061 227 A CA 1.457 53.502 52.037 0.013 0.000 0.758 227 A CB -0.110 18.890 19.000 0.000 0.000 0.991 227 A HN 0.035 8.113 8.150 -0.120 0.000 0.502 228 G N 2.320 111.206 108.800 0.144 0.000 2.253 228 G HA2 -0.196 3.829 3.960 0.109 0.000 0.251 228 G HA3 -0.196 3.863 3.960 0.165 0.000 0.251 228 G C -0.446 174.596 174.900 0.236 0.000 0.998 228 G CA 0.297 45.497 45.100 0.167 0.000 0.621 228 G HN 0.257 8.607 8.290 0.100 0.000 0.524 229 W N -0.300 120.973 121.300 -0.044 0.000 2.161 229 W HA 0.225 5.049 4.660 -0.027 -0.180 0.344 229 W C 0.254 176.796 176.519 0.038 0.000 1.262 229 W CA 0.147 57.471 57.345 -0.034 0.000 1.270 229 W CB 0.280 29.671 29.460 -0.115 0.000 1.126 229 W HN -0.733 7.647 8.180 0.477 0.086 0.598 230 F N 1.873 121.877 119.950 0.090 0.000 2.396 230 F HA 0.168 4.727 4.527 0.054 0.000 0.343 230 F C -1.685 174.179 175.800 0.107 0.000 1.104 230 F CA -0.029 58.004 58.000 0.056 0.000 1.161 230 F CB 2.424 41.420 39.000 -0.006 0.000 1.146 230 F HN 0.543 9.002 8.300 0.265 0.000 0.522 231 I N 6.130 126.483 120.570 -0.362 0.000 2.644 231 I HA 0.480 4.835 4.170 -0.017 -0.195 0.291 231 I C -2.970 172.810 176.117 -0.562 0.000 1.180 231 I CA -1.200 59.949 61.300 -0.252 0.000 1.040 231 I CB 4.141 42.109 38.000 -0.053 0.000 1.255 231 I HN 0.247 8.093 8.210 -0.606 0.000 0.422 232 A N 7.469 130.105 122.820 -0.306 0.000 2.335 232 A HA 0.537 4.946 4.320 -0.202 -0.210 0.304 232 A C -2.642 174.944 177.584 0.003 0.000 1.118 232 A CA -1.712 50.231 52.037 -0.156 0.000 0.757 232 A CB 2.832 21.820 19.000 -0.021 0.000 1.188 232 A HN 0.636 8.736 8.150 -0.082 0.000 0.460 233 D N 1.250 121.649 120.400 -0.002 0.000 2.610 233 D HA 0.880 5.687 4.640 0.036 -0.146 0.271 233 D C -1.938 174.373 176.300 0.019 0.000 1.174 233 D CA -1.868 52.143 54.000 0.018 0.000 0.949 233 D CB 4.253 45.057 40.800 0.008 0.000 1.430 233 D HN 0.010 8.279 8.370 -0.018 0.090 0.467 234 K N -2.770 117.639 120.400 0.015 0.000 2.588 234 K HA 0.403 4.845 4.320 0.007 -0.118 0.250 234 K C -1.672 174.931 176.600 0.004 0.000 0.972 234 K CA -0.966 55.327 56.287 0.010 0.000 0.821 234 K CB 2.912 35.420 32.500 0.013 0.000 1.249 234 K HN 0.078 8.335 8.250 0.012 0.000 0.442 235 S N 4.568 120.271 115.700 0.005 0.000 2.693 235 S HA 0.868 5.468 4.470 -0.006 -0.134 0.276 235 S C -0.533 174.088 174.600 0.035 0.000 1.192 235 S CA -1.778 56.426 58.200 0.006 0.000 0.994 235 S CB 2.292 65.491 63.200 -0.002 0.000 1.012 235 S HN 0.207 8.520 8.310 0.005 0.000 0.550 236 G N -2.478 106.353 108.800 0.053 0.000 2.696 236 G HA2 0.304 4.310 3.960 0.076 0.000 0.295 236 G HA3 0.304 4.349 3.960 0.141 0.000 0.295 236 G C -3.100 171.844 174.900 0.073 0.000 1.398 236 G CA -0.679 44.475 45.100 0.090 0.000 0.920 236 G HN 0.118 8.431 8.290 0.038 0.000 0.492 237 A N -0.116 122.740 122.820 0.060 0.000 2.520 237 A HA 0.907 5.603 4.320 0.061 -0.340 0.298 237 A C -1.687 175.929 177.584 0.053 0.000 1.051 237 A CA -0.988 51.076 52.037 0.044 0.000 0.690 237 A CB 3.298 22.295 19.000 -0.004 0.000 1.281 237 A HN 0.248 8.434 8.150 0.060 0.000 0.402 241 R N -1.568 118.952 120.500 0.034 0.000 3.525 241 R HA -0.420 3.938 4.340 0.031 0.000 0.276 241 R C -0.348 175.981 176.300 0.048 0.000 1.116 241 R CA 1.175 57.296 56.100 0.036 0.000 0.745 241 R CB -0.944 29.375 30.300 0.032 0.000 1.185 241 R HN 0.844 9.131 8.270 0.029 0.000 0.454 242 G N -6.482 102.347 108.800 0.047 0.000 2.148 242 G HA2 -0.497 3.490 3.960 0.046 0.000 0.254 242 G HA3 -0.497 3.696 3.960 0.056 -0.200 0.254 242 G C -0.192 174.753 174.900 0.075 0.000 0.981 242 G CA -0.001 45.132 45.100 0.055 0.000 0.670 242 G HN 0.513 8.803 8.290 0.040 0.024 0.528 243 S N 1.797 117.546 115.700 0.082 0.000 2.562 243 S HA 0.152 4.918 4.470 0.143 -0.211 0.281 243 S C -0.658 174.007 174.600 0.109 0.000 1.333 243 S CA 2.327 60.597 58.200 0.116 0.000 1.052 243 S CB 0.878 64.147 63.200 0.115 0.000 0.884 243 S HN -0.552 7.649 8.310 0.070 0.151 0.506 244 R N 3.754 124.338 120.500 0.140 0.000 2.634 244 R HA 0.636 5.217 4.340 0.096 -0.184 0.263 244 R C -1.971 174.408 176.300 0.131 0.000 1.060 244 R CA -0.763 55.401 56.100 0.107 0.000 0.898 244 R CB 4.606 34.944 30.300 0.063 0.000 1.253 244 R HN 0.177 8.552 8.270 0.174 0.000 0.461 245 G N 1.328 110.173 108.800 0.076 0.000 2.506 245 G HA2 0.758 4.752 3.960 -0.113 0.000 0.292 245 G HA3 0.758 4.693 3.960 -0.038 0.003 0.292 245 G C -3.618 171.212 174.900 -0.117 0.000 1.425 245 G CA 0.325 45.391 45.100 -0.057 0.000 0.788 245 G HN 0.042 8.371 8.290 0.065 0.000 0.490 246 I N -0.969 119.439 120.570 -0.269 0.000 2.842 246 I HA 0.792 5.079 4.170 -0.105 -0.180 0.297 246 I C -2.841 173.141 176.117 -0.225 0.000 1.380 246 I CA -1.578 59.624 61.300 -0.163 0.000 1.018 246 I CB 4.163 42.117 38.000 -0.078 0.000 1.311 246 I HN 0.465 8.414 8.210 -0.435 0.000 0.439 247 I N 1.229 121.733 120.570 -0.109 0.000 2.530 247 I HA 1.062 5.491 4.170 -0.088 -0.312 0.297 247 I C -2.381 173.741 176.117 0.007 0.000 1.011 247 I CA -2.794 58.471 61.300 -0.058 0.000 1.107 247 I CB 3.998 41.994 38.000 -0.007 0.000 1.285 247 I HN 0.296 8.466 8.210 -0.067 0.000 0.436 248 A N 2.042 124.887 122.820 0.041 0.000 2.589 248 A HA 0.869 5.431 4.320 0.082 -0.193 0.296 248 A C -2.688 174.978 177.584 0.136 0.000 1.062 248 A CA -0.789 51.301 52.037 0.087 0.000 0.686 248 A CB 4.189 23.245 19.000 0.094 0.000 1.282 248 A HN 0.315 8.485 8.150 0.033 0.000 0.404 249 A N 1.543 124.482 122.820 0.198 0.000 2.318 249 A HA 1.171 6.012 4.320 0.231 -0.382 0.317 249 A C -2.023 175.818 177.584 0.428 0.000 1.159 249 A CA -2.262 49.943 52.037 0.280 0.000 0.799 249 A CB 2.376 21.550 19.000 0.291 0.000 1.194 249 A HN 0.496 8.759 8.150 0.188 0.000 0.479 250 L N -2.565 118.922 121.223 0.440 0.000 2.479 250 L HA 0.996 6.035 4.340 0.663 -0.301 0.255 250 L C -1.667 175.468 176.870 0.442 0.000 1.026 250 L CA -1.949 53.199 54.840 0.513 0.000 0.842 250 L CB 3.980 46.296 42.059 0.427 0.000 1.444 250 L HN 0.609 9.072 8.230 0.388 0.000 0.409 251 G N -3.686 105.240 108.800 0.210 0.000 2.338 251 G HA2 0.273 3.868 3.960 -0.609 0.000 0.295 251 G HA3 0.273 4.366 3.960 -0.122 -0.205 0.295 251 G C -3.678 170.634 174.900 -0.979 0.000 1.461 251 G CA 0.335 45.234 45.100 -0.336 0.000 0.817 251 G HN -0.125 8.350 8.290 0.307 0.000 0.556 255 G N 0.620 109.365 108.800 -0.091 0.000 2.157 255 G HA2 -0.454 3.609 3.960 0.173 0.000 0.248 255 G HA3 -0.454 3.539 3.960 0.056 0.000 0.248 255 G C -1.093 173.802 174.900 -0.009 0.000 0.979 255 G CA 0.490 45.614 45.100 0.041 0.000 0.650 255 G HN -0.016 8.266 8.290 -0.059 -0.027 0.529 256 K N 0.205 120.496 120.400 -0.183 0.000 2.501 256 K HA 0.424 4.353 4.320 -0.653 0.000 0.252 256 K C -3.111 173.205 176.600 -0.474 0.000 0.934 256 K CA -2.954 53.078 56.287 -0.427 0.000 0.797 256 K CB 2.444 34.772 32.500 -0.286 0.000 1.270 256 K HN -0.306 7.755 8.250 -0.196 0.071 0.431 257 P HA 0.018 4.499 4.420 -0.065 -0.100 0.275 257 P C -0.965 176.261 177.300 -0.124 0.000 1.228 257 P CA -0.432 62.479 63.100 -0.316 0.000 0.786 257 P CB 0.572 32.035 31.700 -0.395 0.000 0.927 258 S N -1.010 114.737 115.700 0.080 0.000 2.744 258 S HA 0.103 4.572 4.470 -0.001 0.000 0.265 258 S C -0.555 174.080 174.600 0.057 0.000 1.065 258 S CA -0.036 58.209 58.200 0.075 0.000 1.191 258 S CB 2.654 65.927 63.200 0.121 0.000 1.150 258 S HN 0.661 8.993 8.310 0.203 0.100 0.646 259 R N -0.534 120.041 120.500 0.125 0.000 2.698 259 R HA 0.944 5.665 4.340 -0.044 -0.407 0.275 259 R C -2.265 174.093 176.300 0.097 0.000 1.001 259 R CA -1.084 55.028 56.100 0.019 0.000 0.896 259 R CB 4.744 34.937 30.300 -0.178 0.000 1.218 259 R HN -0.275 8.138 8.270 0.238 0.000 0.462 260 I N 1.623 122.213 120.570 0.033 0.000 2.428 260 I HA 0.831 5.235 4.170 0.089 -0.180 0.296 260 I C -0.986 175.139 176.117 0.013 0.000 0.985 260 I CA -2.610 58.717 61.300 0.044 0.000 1.260 260 I CB 1.201 39.210 38.000 0.015 0.000 1.389 260 I HN 0.842 8.934 8.210 -0.012 0.111 0.484 261 V N 7.439 127.377 119.914 0.039 0.000 2.531 261 V HA 0.653 5.133 4.120 -0.079 -0.407 0.301 261 V C -1.604 174.472 176.094 -0.030 0.000 1.034 261 V CA -1.426 60.877 62.300 0.006 0.000 0.865 261 V CB 2.891 34.789 31.823 0.126 0.000 0.995 261 V HN 0.652 8.884 8.190 0.069 0.000 0.424 262 V N 7.305 127.159 119.914 -0.101 0.000 2.531 262 V HA 0.587 4.777 4.120 -0.183 -0.180 0.301 262 V C -1.429 174.575 176.094 -0.150 0.000 1.034 262 V CA -1.139 61.067 62.300 -0.157 0.000 0.865 262 V CB 3.232 34.984 31.823 -0.118 0.000 0.995 262 V HN 0.329 8.422 8.190 -0.162 0.000 0.424 263 I N 5.605 126.012 120.570 -0.272 0.000 2.533 263 I HA 0.738 5.285 4.170 -0.063 -0.416 0.290 263 I C -1.739 174.085 176.117 -0.489 0.000 1.056 263 I CA -1.424 59.762 61.300 -0.191 0.000 1.057 263 I CB 3.388 41.368 38.000 -0.033 0.000 1.240 263 I HN 0.487 8.475 8.210 -0.370 0.000 0.423 264 Y N 5.114 125.255 120.300 -0.266 0.000 2.545 264 Y HA 0.803 5.393 4.550 -0.175 -0.145 0.348 264 Y C -1.110 174.563 175.900 -0.378 0.000 1.002 264 Y CA -1.641 56.236 58.100 -0.372 0.000 1.039 264 Y CB 4.641 42.707 38.460 -0.656 0.000 1.271 264 Y HN 0.812 8.935 8.280 -0.261 0.000 0.467 265 T N 1.127 115.746 114.554 0.108 0.000 2.894 265 T HA 0.727 5.563 4.350 0.307 -0.302 0.309 265 T C -1.837 173.057 174.700 0.324 0.000 1.208 265 T CA -1.258 60.978 62.100 0.227 0.000 1.016 265 T CB 2.314 71.272 68.868 0.149 0.000 1.192 265 T HN 0.676 9.032 8.240 0.193 0.000 0.491 266 T N 5.712 120.476 114.554 0.350 0.000 2.889 266 T HA 0.176 4.632 4.350 0.177 0.000 0.315 266 T C -1.519 173.266 174.700 0.141 0.000 1.291 266 T CA -0.560 61.669 62.100 0.215 0.000 1.028 266 T CB 2.140 71.126 68.868 0.197 0.000 1.235 266 T HN -0.194 8.287 8.240 0.403 0.000 0.491 267 G N 5.640 114.494 108.800 0.091 0.000 2.213 267 G HA2 -0.430 3.570 3.960 0.047 0.000 0.226 267 G HA3 -0.430 3.565 3.960 0.058 0.000 0.226 267 G C -1.339 173.596 174.900 0.058 0.000 0.992 267 G CA 0.223 45.359 45.100 0.062 0.000 0.632 267 G HN 0.244 8.586 8.290 0.088 0.000 0.511 268 S N -0.371 115.371 115.700 0.069 0.000 2.576 268 S HA -0.052 4.537 4.470 0.053 -0.087 0.276 268 S C 1.101 175.726 174.600 0.042 0.000 1.339 268 S CA -0.515 57.719 58.200 0.056 0.000 1.039 268 S CB 1.185 64.421 63.200 0.060 0.000 0.902 268 S HN -0.450 7.852 8.310 0.083 0.058 0.516 269 Q N 5.192 125.013 119.800 0.034 0.000 2.360 269 Q HA -0.003 4.353 4.340 0.026 0.000 0.202 269 Q C -0.395 175.619 176.000 0.023 0.000 0.915 269 Q CA -0.163 55.656 55.803 0.026 0.000 0.943 269 Q CB 0.080 28.832 28.738 0.022 0.000 1.064 269 Q HN 0.420 8.710 8.270 0.034 0.000 0.511 270 A N 0.218 123.054 122.820 0.026 0.000 2.406 270 A HA -0.012 4.402 4.320 0.017 -0.084 0.243 270 A C 0.068 177.662 177.584 0.017 0.000 1.082 270 A CA -0.059 51.990 52.037 0.020 0.000 0.786 270 A CB 1.133 20.146 19.000 0.022 0.000 1.029 270 A HN -0.587 7.509 8.150 0.031 0.072 0.495 271 T N -2.615 111.946 114.554 0.012 0.000 2.802 271 T HA -0.126 4.229 4.350 0.009 0.000 0.305 271 T C 1.248 175.953 174.700 0.008 0.000 1.053 271 T CA 0.450 62.556 62.100 0.009 0.000 1.058 271 T CB 1.568 70.439 68.868 0.005 0.000 0.988 271 T HN -0.013 8.533 8.240 0.011 -0.300 0.539 272 M N 2.490 122.092 119.600 0.004 0.000 2.108 272 M HA -0.407 4.076 4.480 0.004 0.000 0.261 272 M C 0.853 177.152 176.300 -0.001 0.000 1.066 272 M CA 3.626 58.926 55.300 0.001 0.000 1.107 272 M CB -0.287 32.308 32.600 -0.007 0.000 1.356 272 M HN 0.246 8.538 8.290 0.003 0.000 0.406 273 D N -3.190 117.208 120.400 -0.003 0.000 2.123 273 D HA -0.320 4.316 4.640 -0.007 0.000 0.196 273 D C 2.755 179.053 176.300 -0.003 0.000 0.992 273 D CA 3.913 57.910 54.000 -0.005 0.000 0.833 273 D CB -0.983 39.814 40.800 -0.005 0.000 0.954 273 D HN 0.145 8.513 8.370 -0.002 0.000 0.455 274 E N 0.273 120.473 120.200 0.000 0.000 2.077 274 E HA -0.331 4.017 4.350 -0.002 0.000 0.193 274 E C 2.359 178.961 176.600 0.002 0.000 0.989 274 E CA 2.803 59.204 56.400 0.001 0.000 0.800 274 E CB -0.207 29.496 29.700 0.005 0.000 0.746 274 E HN -0.521 7.839 8.360 0.002 0.000 0.452 275 R N -2.238 118.267 120.500 0.007 0.000 2.096 275 R HA -0.412 3.937 4.340 0.015 0.000 0.235 275 R C 2.489 178.791 176.300 0.002 0.000 1.127 275 R CA 3.960 60.067 56.100 0.011 0.000 0.968 275 R CB -0.168 30.145 30.300 0.021 0.000 0.861 275 R HN -0.082 8.193 8.270 0.008 0.000 0.440 276 N N -1.096 117.602 118.700 -0.003 0.000 2.120 276 N HA -0.230 4.505 4.740 -0.009 0.000 0.188 276 N C 1.941 177.443 175.510 -0.013 0.000 1.024 276 N CA 2.746 55.791 53.050 -0.009 0.000 0.852 276 N CB -0.434 38.046 38.487 -0.011 0.000 1.003 276 N HN 0.194 8.573 8.380 -0.002 0.000 0.424 277 R N 0.639 121.131 120.500 -0.013 0.000 2.081 277 R HA -0.297 4.031 4.340 -0.021 0.000 0.235 277 R C 2.175 178.462 176.300 -0.021 0.000 1.131 277 R CA 2.547 58.636 56.100 -0.018 0.000 0.960 277 R CB -0.693 29.598 30.300 -0.016 0.000 0.856 277 R HN 0.084 8.348 8.270 -0.010 0.000 0.436 278 Q N -1.446 118.343 119.800 -0.018 0.000 2.084 278 Q HA -0.273 4.049 4.340 -0.030 0.000 0.202 278 Q C 2.589 178.570 176.000 -0.032 0.000 0.978 278 Q CA 2.790 58.579 55.803 -0.024 0.000 0.844 278 Q CB -0.517 28.212 28.738 -0.015 0.000 0.898 278 Q HN -0.283 7.968 8.270 -0.012 0.012 0.426 279 I N -0.238 120.318 120.570 -0.023 0.000 2.226 279 I HA -0.531 3.621 4.170 -0.029 0.000 0.245 279 I C 1.578 177.681 176.117 -0.024 0.000 1.100 279 I CA 3.826 65.112 61.300 -0.024 0.000 1.374 279 I CB -0.505 37.484 38.000 -0.018 0.000 1.057 279 I HN -0.396 7.804 8.210 -0.016 0.000 0.413 280 A N -0.057 122.748 122.820 -0.024 0.000 1.908 280 A HA -0.332 4.090 4.320 -0.025 -0.117 0.218 280 A C 2.395 179.958 177.584 -0.035 0.000 1.181 280 A CA 3.135 55.155 52.037 -0.028 0.000 0.627 280 A CB -0.821 18.160 19.000 -0.030 0.000 0.818 280 A HN 0.221 8.357 8.150 -0.023 0.000 0.445 281 E N -1.619 118.558 120.200 -0.039 0.000 2.152 281 E HA -0.264 4.059 4.350 -0.044 0.000 0.192 281 E C 2.544 179.113 176.600 -0.052 0.000 0.983 281 E CA 2.538 58.911 56.400 -0.044 0.000 0.818 281 E CB -0.266 29.407 29.700 -0.043 0.000 0.758 281 E HN -0.035 8.280 8.360 -0.036 0.023 0.467 282 I N 0.247 120.777 120.570 -0.066 0.000 2.226 282 I HA -0.449 3.645 4.170 -0.127 0.000 0.245 282 I C 2.061 178.157 176.117 -0.035 0.000 1.100 282 I CA 4.311 65.549 61.300 -0.103 0.000 1.374 282 I CB -0.310 37.590 38.000 -0.167 0.000 1.057 282 I HN 0.351 8.524 8.210 -0.062 0.000 0.413 283 G N -1.459 107.340 108.800 -0.002 0.000 2.446 283 G HA2 -0.401 3.615 3.960 0.093 0.000 0.217 283 G HA3 -0.401 3.575 3.960 0.026 0.000 0.217 283 G C 0.565 175.472 174.900 0.011 0.000 1.168 283 G CA 2.242 47.365 45.100 0.038 0.000 0.771 283 G HN -0.049 8.232 8.290 -0.014 0.000 0.551 284 A N 0.948 123.750 122.820 -0.031 0.000 1.940 284 A HA -0.243 4.022 4.320 -0.091 0.000 0.219 284 A C 1.062 178.629 177.584 -0.029 0.000 1.176 284 A CA 2.757 54.759 52.037 -0.059 0.000 0.631 284 A CB -0.600 18.360 19.000 -0.066 0.000 0.814 284 A HN -0.065 8.064 8.150 -0.034 0.000 0.446 285 S N -1.513 114.192 115.700 0.009 0.000 2.371 285 S HA -0.149 4.355 4.470 0.058 0.000 0.224 285 S C 2.185 176.884 174.600 0.167 0.000 1.029 285 S CA 3.126 61.371 58.200 0.076 0.000 0.978 285 S CB 0.269 63.504 63.200 0.059 0.000 0.833 285 S HN -0.482 7.598 8.310 -0.004 0.228 0.466 286 L N -0.275 121.048 121.223 0.167 0.000 2.141 286 L HA 0.021 4.539 4.340 0.297 0.000 0.209 286 L C 1.625 178.723 176.870 0.381 0.000 1.094 286 L CA 2.759 57.772 54.840 0.288 0.000 0.763 286 L CB -0.839 41.416 42.059 0.327 0.000 0.908 286 L HN -0.137 8.164 8.230 0.118 0.000 0.437 287 I N -0.631 120.074 120.570 0.226 0.000 2.286 287 I HA -0.612 3.739 4.170 0.302 0.000 0.245 287 I C 3.184 179.326 176.117 0.041 0.000 1.104 287 I CA 3.264 64.619 61.300 0.091 0.000 1.397 287 I CB -0.533 37.306 38.000 -0.268 0.000 1.072 287 I HN -0.096 8.188 8.210 0.141 0.011 0.417 288 K N 2.008 122.375 120.400 -0.055 0.000 2.063 288 K HA -0.188 4.019 4.320 -0.189 0.000 0.208 288 K C 0.967 177.421 176.600 -0.243 0.000 1.048 288 K CA 2.209 58.372 56.287 -0.208 0.000 0.928 288 K CB -0.100 32.189 32.500 -0.352 0.000 0.713 288 K HN 0.446 nan 8.250 nan 0.000 0.442 289 H N -3.403 115.699 119.070 0.054 0.000 2.519 289 H HA 0.108 4.644 4.556 -0.033 0.000 0.289 289 H C -0.752 174.699 175.328 0.204 0.000 1.040 289 H CA -0.614 55.446 56.048 0.020 0.000 1.165 289 H CB 0.149 29.807 29.762 -0.173 0.000 1.462 289 H HN -0.294 8.020 8.280 0.085 0.017 0.555 290 W N 0.000 121.390 121.300 0.150 0.000 2.388 290 W HA 0.000 4.783 4.660 0.205 0.000 0.303 290 W CA 0.000 57.465 57.345 0.200 0.000 1.226 290 W CB 0.000 29.642 29.460 0.302 0.000 1.126 290 W HN 0.000 8.208 8.180 0.455 0.245 0.535