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 1li0_1_A DATA FIRST_RESID 26 DATA SEQUENCE HPETLVKVKD AEDQLGARVG YIELDLNSGK ILESFRPEER FPMISTFKVL 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 0.000 175.293 175.328 -0.059 0.000 0.993 26 H CA 0.000 56.029 56.048 -0.032 0.000 1.023 26 H CB 0.000 29.715 29.762 -0.078 0.000 1.292 27 P HA -0.135 nan 4.420 nan 0.000 0.221 27 P C 0.989 178.313 177.300 0.041 0.000 1.145 27 P CA 0.964 64.041 63.100 -0.039 0.000 0.795 27 P CB 0.467 32.099 31.700 -0.113 0.000 0.775 28 E N -0.365 119.929 120.200 0.158 0.000 2.204 28 E HA -0.095 4.296 4.350 0.069 0.000 0.195 28 E C 1.835 178.405 176.600 -0.051 0.000 0.990 28 E CA 1.247 57.612 56.400 -0.057 0.000 0.821 28 E CB -0.938 28.485 29.700 -0.462 0.000 0.750 28 E HN 0.308 nan 8.360 nan 0.000 0.477 29 T N 1.414 115.958 114.554 -0.017 0.000 2.942 29 T HA 0.012 4.403 4.350 0.069 0.000 0.265 29 T C 2.054 176.643 174.700 -0.184 0.000 1.062 29 T CA 0.346 62.406 62.100 -0.067 0.000 1.139 29 T CB -0.031 68.832 68.868 -0.007 0.000 0.883 29 T HN 0.101 nan 8.240 nan 0.000 0.468 30 L N 0.783 121.944 121.223 -0.103 0.000 2.131 30 L HA -0.060 4.321 4.340 0.069 0.000 0.210 30 L C 2.565 179.333 176.870 -0.170 0.000 1.092 30 L CA 0.648 55.410 54.840 -0.130 0.000 0.759 30 L CB -0.659 41.435 42.059 0.058 0.000 0.903 30 L HN 0.150 nan 8.230 nan 0.000 0.435 31 V N 0.202 120.058 119.914 -0.097 0.000 2.332 31 V HA -0.300 3.862 4.120 0.069 0.000 0.248 31 V C 2.593 178.606 176.094 -0.135 0.000 1.055 31 V CA 1.954 64.205 62.300 -0.081 0.000 1.038 31 V CB -0.423 31.375 31.823 -0.042 0.000 0.651 31 V HN 0.374 nan 8.190 nan 0.000 0.450 32 K N 0.166 120.470 120.400 -0.159 0.000 2.103 32 K HA -0.072 4.290 4.320 0.069 0.000 0.204 32 K C 1.821 178.262 176.600 -0.264 0.000 1.052 32 K CA 1.393 57.575 56.287 -0.175 0.000 0.945 32 K CB -0.584 31.824 32.500 -0.153 0.000 0.722 32 K HN 0.285 nan 8.250 nan 0.000 0.443 33 V N 1.476 121.145 119.914 -0.408 0.000 2.343 33 V HA -0.198 3.963 4.120 0.069 0.000 0.247 33 V C 2.507 178.262 176.094 -0.565 0.000 1.051 33 V CA 1.772 63.736 62.300 -0.561 0.000 1.036 33 V CB -0.480 30.848 31.823 -0.825 0.000 0.654 33 V HN 0.359 nan 8.190 nan 0.000 0.451 34 K N 0.149 120.226 120.400 -0.538 0.000 2.097 34 K HA -0.233 4.129 4.320 0.069 0.000 0.205 34 K C 1.934 178.455 176.600 -0.132 0.000 1.050 34 K CA 1.955 58.066 56.287 -0.293 0.000 0.938 34 K CB -0.458 31.980 32.500 -0.102 0.000 0.718 34 K HN 0.508 nan 8.250 nan 0.000 0.442 35 D N 0.227 120.551 120.400 -0.127 0.000 2.123 35 D HA -0.117 4.565 4.640 0.069 0.000 0.196 35 D C 1.658 177.915 176.300 -0.072 0.000 0.992 35 D CA 1.600 55.555 54.000 -0.076 0.000 0.833 35 D CB -0.023 40.733 40.800 -0.073 0.000 0.954 35 D HN 0.256 nan 8.370 nan 0.000 0.455 36 A N 0.566 123.321 122.820 -0.109 0.000 1.908 36 A HA -0.209 4.153 4.320 0.069 0.000 0.218 36 A C 2.130 179.691 177.584 -0.039 0.000 1.181 36 A CA 1.689 53.678 52.037 -0.081 0.000 0.627 36 A CB -0.655 18.277 19.000 -0.114 0.000 0.818 36 A HN 0.330 nan 8.150 nan 0.000 0.445 37 E N -0.265 119.913 120.200 -0.038 0.000 2.110 37 E HA -0.201 4.191 4.350 0.069 0.000 0.193 37 E C 1.418 178.038 176.600 0.034 0.000 0.988 37 E CA 1.242 57.662 56.400 0.034 0.000 0.804 37 E CB -0.249 29.508 29.700 0.094 0.000 0.745 37 E HN 0.557 nan 8.360 nan 0.000 0.458 38 D N 0.454 120.863 120.400 0.015 0.000 2.117 38 D HA -0.134 4.548 4.640 0.069 0.000 0.198 38 D C 2.055 178.362 176.300 0.011 0.000 0.982 38 D CA 0.880 54.890 54.000 0.017 0.000 0.828 38 D CB -0.104 40.701 40.800 0.008 0.000 0.967 38 D HN 0.078 nan 8.370 nan 0.000 0.464 39 Q N -0.012 119.788 119.800 0.000 0.000 2.083 39 Q HA 0.033 4.414 4.340 0.069 0.000 0.198 39 Q C 2.461 178.466 176.000 0.008 0.000 0.969 39 Q CA 0.549 56.352 55.803 -0.001 0.000 0.838 39 Q CB -0.111 28.620 28.738 -0.012 0.000 0.900 39 Q HN 0.376 nan 8.270 nan 0.000 0.436 40 L N -0.908 120.323 121.223 0.014 0.000 2.446 40 L HA 0.144 4.526 4.340 0.069 0.000 0.219 40 L C 1.086 177.978 176.870 0.036 0.000 1.116 40 L CA 0.440 55.295 54.840 0.025 0.000 0.844 40 L CB -0.332 41.746 42.059 0.032 0.000 0.970 40 L HN 0.285 nan 8.230 nan 0.000 0.457 41 G N 0.943 109.766 108.800 0.038 0.000 2.273 41 G HA2 -0.120 3.881 3.960 0.069 0.000 0.280 41 G HA3 -0.120 3.881 3.960 0.069 0.000 0.280 41 G C 0.076 175.010 174.900 0.057 0.000 1.047 41 G CA 0.364 45.489 45.100 0.043 0.000 0.869 41 G HN 0.643 nan 8.290 nan 0.000 0.502 42 A N -1.089 121.776 122.820 0.076 0.000 2.610 42 A HA 0.851 5.212 4.320 0.069 0.000 0.291 42 A C 0.082 177.757 177.584 0.151 0.000 1.086 42 A CA -0.680 51.419 52.037 0.103 0.000 0.677 42 A CB 0.940 20.003 19.000 0.104 0.000 1.278 42 A HN 0.530 nan 8.150 nan 0.000 0.414 43 R N -0.128 120.491 120.500 0.198 0.000 2.590 43 R HA 0.467 4.848 4.340 0.069 0.000 0.274 43 R C -1.011 175.535 176.300 0.409 0.000 1.061 43 R CA -0.043 56.242 56.100 0.308 0.000 1.081 43 R CB 0.773 31.252 30.300 0.299 0.000 0.984 43 R HN 0.386 nan 8.270 nan 0.000 0.448 44 V N 1.695 121.847 119.914 0.397 0.000 2.531 44 V HA 0.447 4.608 4.120 0.069 0.000 0.301 44 V C 0.267 176.551 176.094 0.316 0.000 1.034 44 V CA -0.788 61.653 62.300 0.236 0.000 0.865 44 V CB 2.068 33.931 31.823 0.067 0.000 0.995 44 V HN 0.957 nan 8.190 nan 0.000 0.424 45 G N 2.888 111.638 108.800 -0.083 0.000 2.379 45 G HA2 0.625 4.626 3.960 0.069 0.000 0.327 45 G HA3 0.625 4.626 3.960 0.069 0.000 0.327 45 G C -1.792 173.167 174.900 0.098 0.000 1.145 45 G CA -0.397 44.708 45.100 0.007 0.000 0.905 45 G HN 0.639 nan 8.290 nan 0.000 0.466 46 Y N 1.645 122.003 120.300 0.097 0.000 2.513 46 Y HA 0.722 5.311 4.550 0.065 0.000 0.340 46 Y C -1.363 174.588 175.900 0.085 0.000 1.055 46 Y CA -1.338 56.793 58.100 0.051 0.000 1.020 46 Y CB 1.986 40.468 38.460 0.036 0.000 1.301 46 Y HN 0.598 nan 8.280 nan 0.000 0.453 47 I N 4.731 124.880 120.570 -0.702 0.000 2.775 47 I HA 0.367 4.578 4.170 0.069 0.000 0.295 47 I C -1.811 173.878 176.117 -0.714 0.000 1.287 47 I CA -0.494 60.457 61.300 -0.583 0.000 1.029 47 I CB 2.041 39.923 38.000 -0.197 0.000 1.282 47 I HN 0.794 nan 8.210 nan 0.000 0.426 48 E N 6.771 126.670 120.200 -0.501 0.000 2.191 48 E HA 0.487 4.878 4.350 0.069 0.000 0.263 48 E C -2.009 174.499 176.600 -0.153 0.000 0.881 48 E CA -0.736 55.497 56.400 -0.278 0.000 0.757 48 E CB 2.180 31.791 29.700 -0.149 0.000 1.147 48 E HN 0.457 nan 8.360 nan 0.000 0.414 49 L N 3.992 125.151 121.223 -0.107 0.000 2.386 49 L HA 0.387 4.768 4.340 0.069 0.000 0.271 49 L C -0.979 175.852 176.870 -0.065 0.000 0.993 49 L CA -0.521 54.274 54.840 -0.076 0.000 0.819 49 L CB 1.899 43.925 42.059 -0.055 0.000 1.294 49 L HN 0.500 nan 8.230 nan 0.000 0.414 50 D N 2.530 122.889 120.400 -0.069 0.000 2.371 50 D HA 0.085 4.767 4.640 0.069 0.000 0.256 50 D C 0.978 177.257 176.300 -0.035 0.000 1.193 50 D CA -0.006 53.955 54.000 -0.065 0.000 0.881 50 D CB 0.919 41.678 40.800 -0.067 0.000 1.143 50 D HN 0.568 nan 8.370 nan 0.000 0.473 51 L N 5.023 126.236 121.223 -0.017 0.000 2.017 51 L HA -0.107 4.274 4.340 0.069 0.000 0.208 51 L C 1.700 178.559 176.870 -0.018 0.000 1.073 51 L CA 1.761 56.598 54.840 -0.005 0.000 0.745 51 L CB -0.914 41.152 42.059 0.011 0.000 0.894 51 L HN 0.676 nan 8.230 nan 0.000 0.432 52 N N -1.167 117.518 118.700 -0.024 0.000 2.039 52 N HA -0.203 4.579 4.740 0.069 0.000 0.193 52 N C 1.750 177.244 175.510 -0.028 0.000 1.044 52 N CA 1.940 54.974 53.050 -0.028 0.000 0.847 52 N CB 0.014 38.483 38.487 -0.030 0.000 1.030 52 N HN 0.574 nan 8.380 nan 0.000 0.422 53 S N -1.363 114.318 115.700 -0.031 0.000 2.458 53 S HA 0.239 4.751 4.470 0.069 0.000 0.223 53 S C 1.483 176.064 174.600 -0.032 0.000 1.019 53 S CA 0.802 58.984 58.200 -0.031 0.000 0.937 53 S CB 0.441 63.621 63.200 -0.033 0.000 0.788 53 S HN 0.591 nan 8.310 nan 0.000 0.511 54 G N 0.908 109.689 108.800 -0.033 0.000 2.157 54 G HA2 -0.274 3.728 3.960 0.069 0.000 0.248 54 G HA3 -0.274 3.728 3.960 0.069 0.000 0.248 54 G C -0.003 174.874 174.900 -0.037 0.000 0.979 54 G CA 0.208 45.288 45.100 -0.033 0.000 0.650 54 G HN 0.759 nan 8.290 nan 0.000 0.529 55 K N 1.173 121.548 120.400 -0.040 0.000 2.368 55 K HA 0.528 4.889 4.320 0.069 0.000 0.282 55 K C 0.771 177.343 176.600 -0.047 0.000 1.035 55 K CA -0.544 55.718 56.287 -0.041 0.000 0.973 55 K CB 0.087 32.562 32.500 -0.042 0.000 0.957 55 K HN 0.260 nan 8.250 nan 0.000 0.474 56 I N 7.412 127.957 120.570 -0.042 0.000 2.436 56 I HA -0.050 4.161 4.170 0.069 0.000 0.289 56 I C 0.903 176.994 176.117 -0.044 0.000 1.083 56 I CA 0.002 61.275 61.300 -0.046 0.000 1.372 56 I CB 0.470 38.450 38.000 -0.034 0.000 1.408 56 I HN 0.665 nan 8.210 nan 0.000 0.516 57 L N 4.865 126.054 121.223 -0.056 0.000 2.249 57 L HA 0.166 4.547 4.340 0.069 0.000 0.207 57 L C 0.516 177.379 176.870 -0.011 0.000 1.090 57 L CA 0.760 55.571 54.840 -0.047 0.000 0.802 57 L CB -0.057 41.955 42.059 -0.077 0.000 0.947 57 L HN 0.588 nan 8.230 nan 0.000 0.453 58 E N -0.843 119.358 120.200 0.003 0.000 2.380 58 E HA 0.428 4.819 4.350 0.069 0.000 0.281 58 E C -1.319 175.327 176.600 0.077 0.000 0.999 58 E CA -0.344 56.106 56.400 0.084 0.000 0.800 58 E CB 1.961 31.778 29.700 0.195 0.000 1.228 58 E HN 0.038 nan 8.360 nan 0.000 0.436 59 S N 1.518 117.320 115.700 0.169 0.000 2.565 59 S HA 0.807 5.318 4.470 0.069 0.000 0.269 59 S C -1.612 173.206 174.600 0.363 0.000 1.153 59 S CA -0.844 57.472 58.200 0.193 0.000 0.835 59 S CB 1.011 64.260 63.200 0.083 0.000 1.122 59 S HN 0.416 nan 8.310 nan 0.000 0.462 60 F N 1.845 121.909 119.950 0.189 0.000 2.607 60 F HA 0.574 5.140 4.527 0.065 0.000 0.322 60 F C 0.226 176.130 175.800 0.174 0.000 1.176 60 F CA -0.428 57.675 58.000 0.172 0.000 0.977 60 F CB 1.542 40.657 39.000 0.191 0.000 1.242 60 F HN 0.913 nan 8.300 nan 0.000 0.465 61 R N 3.960 124.465 120.500 0.008 0.000 3.333 61 R HA -0.158 4.223 4.340 0.069 0.000 0.256 61 R C -2.176 174.250 176.300 0.210 0.000 1.010 61 R CA 0.616 56.782 56.100 0.109 0.000 0.680 61 R CB -1.341 29.122 30.300 0.272 0.000 1.102 61 R HN 0.481 nan 8.270 nan 0.000 0.440 62 P HA -0.177 nan 4.420 nan 0.000 0.220 62 P C 0.281 177.653 177.300 0.120 0.000 1.148 62 P CA 1.356 64.530 63.100 0.124 0.000 0.803 62 P CB 0.241 31.982 31.700 0.069 0.000 0.782 63 E N -0.534 119.722 120.200 0.094 0.000 2.569 63 E HA 0.150 4.541 4.350 0.069 0.000 0.205 63 E C 0.040 176.679 176.600 0.065 0.000 1.006 63 E CA -0.179 56.263 56.400 0.070 0.000 0.985 63 E CB 0.391 30.110 29.700 0.032 0.000 1.060 63 E HN 0.438 nan 8.360 nan 0.000 0.460 64 E N 1.281 121.548 120.200 0.112 0.000 2.277 64 E HA 0.295 4.687 4.350 0.069 0.000 0.274 64 E C -0.183 176.421 176.600 0.007 0.000 1.022 64 E CA -0.474 55.934 56.400 0.013 0.000 0.853 64 E CB 1.427 31.108 29.700 -0.032 0.000 1.086 64 E HN -0.027 nan 8.360 nan 0.000 0.397 65 R N 1.717 122.126 120.500 -0.152 0.000 2.441 65 R HA 0.407 4.788 4.340 0.069 0.000 0.284 65 R C -0.794 175.275 176.300 -0.385 0.000 1.070 65 R CA 0.024 56.043 56.100 -0.136 0.000 1.047 65 R CB 0.542 30.772 30.300 -0.115 0.000 1.016 65 R HN 0.326 nan 8.270 nan 0.000 0.477 66 F N 1.639 121.491 119.950 -0.163 0.000 2.613 66 F HA 0.361 4.929 4.527 0.069 0.000 0.310 66 F C -2.113 173.505 175.800 -0.303 0.000 1.085 66 F CA -2.742 55.130 58.000 -0.214 0.000 0.945 66 F CB 1.932 40.755 39.000 -0.296 0.000 1.298 66 F HN 0.298 nan 8.300 nan 0.000 0.455 67 P HA 0.209 nan 4.420 nan 0.000 0.268 67 P C 0.453 177.687 177.300 -0.109 0.000 1.204 67 P CA 0.111 63.189 63.100 -0.038 0.000 0.768 67 P CB 0.620 32.339 31.700 0.031 0.000 0.842 68 M N 3.701 123.265 119.600 -0.059 0.000 2.288 68 M HA -0.036 4.485 4.480 0.069 0.000 0.266 68 M C 1.310 177.755 176.300 0.242 0.000 1.072 68 M CA 0.697 56.034 55.300 0.062 0.000 1.132 68 M CB -0.522 32.165 32.600 0.145 0.000 1.386 68 M HN 0.376 nan 8.290 nan 0.000 0.432 69 I N -2.585 118.091 120.570 0.176 0.000 4.911 69 I HA -0.469 3.742 4.170 0.069 0.000 0.038 69 I C 0.996 177.309 176.117 0.327 0.000 0.637 69 I CA 1.199 62.622 61.300 0.206 0.000 0.215 69 I CB -1.888 36.213 38.000 0.168 0.000 0.332 69 I HN 0.183 nan 8.210 nan 0.000 0.152 70 S N 0.837 116.684 115.700 0.246 0.000 2.462 70 S HA -0.169 4.342 4.470 0.069 0.000 0.243 70 S C 1.734 176.396 174.600 0.104 0.000 1.003 70 S CA 2.276 60.585 58.200 0.181 0.000 0.970 70 S CB -1.049 62.202 63.200 0.084 0.000 0.762 70 S HN 0.976 nan 8.310 nan 0.000 0.510 71 T N 0.502 115.166 114.554 0.184 0.000 2.962 71 T HA -0.100 4.291 4.350 0.069 0.000 0.270 71 T C 1.547 176.327 174.700 0.134 0.000 1.088 71 T CA 0.936 63.121 62.100 0.142 0.000 1.127 71 T CB -0.834 68.168 68.868 0.223 0.000 0.883 71 T HN 0.563 nan 8.240 nan 0.000 0.493 72 F N 2.112 122.112 119.950 0.084 0.000 2.333 72 F HA 0.190 4.758 4.527 0.068 0.000 0.300 72 F C 1.869 177.685 175.800 0.026 0.000 1.083 72 F CA 0.435 58.467 58.000 0.055 0.000 1.395 72 F CB -0.550 38.465 39.000 0.024 0.000 1.056 72 F HN 0.046 nan 8.300 nan 0.000 0.529 73 K N 0.727 120.571 120.400 -0.927 0.000 2.280 73 K HA -0.072 4.289 4.320 0.069 0.000 0.202 73 K C 2.029 178.414 176.600 -0.358 0.000 1.047 73 K CA 1.223 56.995 56.287 -0.859 0.000 0.942 73 K CB -0.313 31.798 32.500 -0.648 0.000 0.739 73 K HN 0.310 nan 8.250 nan 0.000 0.457 74 V N 1.595 121.407 119.914 -0.170 0.000 2.453 74 V HA -0.186 3.976 4.120 0.069 0.000 0.247 74 V C 2.062 178.163 176.094 0.011 0.000 1.048 74 V CA 1.396 63.675 62.300 -0.035 0.000 1.049 74 V CB -0.318 31.523 31.823 0.029 0.000 0.672 74 V HN 0.277 nan 8.190 nan 0.000 0.457 75 L N -0.726 120.519 121.223 0.037 0.000 2.056 75 L HA -0.155 4.226 4.340 0.069 0.000 0.207 75 L C 2.500 179.394 176.870 0.039 0.000 1.078 75 L CA 1.180 56.093 54.840 0.121 0.000 0.749 75 L CB -0.754 41.424 42.059 0.199 0.000 0.901 75 L HN 0.349 nan 8.230 nan 0.000 0.433 76 L N 0.137 121.341 121.223 -0.031 0.000 1.990 76 L HA -0.247 4.134 4.340 0.069 0.000 0.213 76 L C 2.439 179.226 176.870 -0.140 0.000 1.072 76 L CA 1.969 56.756 54.840 -0.087 0.000 0.755 76 L CB -0.764 41.191 42.059 -0.173 0.000 0.889 76 L HN 0.248 nan 8.230 nan 0.000 0.432 77 c N 0.128 118.652 118.600 -0.127 0.000 2.456 77 c HA 0.100 4.711 4.570 0.069 0.000 0.279 77 c C 2.701 176.799 174.090 0.014 0.000 1.427 77 c CA 0.273 56.561 56.329 -0.069 0.000 1.778 77 c CB -1.873 40.582 42.510 -0.092 0.000 1.842 77 c HN 0.787 nan 8.230 nan 0.000 0.531 78 G N 0.611 109.408 108.800 -0.005 0.000 2.402 78 G HA2 -0.016 3.985 3.960 0.069 0.000 0.216 78 G HA3 -0.016 3.985 3.960 0.069 0.000 0.216 78 G C 1.865 176.633 174.900 -0.221 0.000 1.162 78 G CA 0.929 46.041 45.100 0.020 0.000 0.777 78 G HN 0.568 nan 8.290 nan 0.000 0.539 79 A N 0.099 122.586 122.820 -0.555 0.000 1.930 79 A HA 0.136 4.498 4.320 0.069 0.000 0.217 79 A C 2.581 179.911 177.584 -0.423 0.000 1.175 79 A CA 1.644 53.075 52.037 -1.011 0.000 0.627 79 A CB -0.511 17.897 19.000 -0.988 0.000 0.815 79 A HN 0.233 nan 8.150 nan 0.000 0.443 80 V N 0.112 119.892 119.914 -0.224 0.000 2.295 80 V HA -0.258 3.904 4.120 0.069 0.000 0.246 80 V C 2.554 178.626 176.094 -0.038 0.000 1.049 80 V CA 1.992 64.232 62.300 -0.101 0.000 1.024 80 V CB -0.746 31.044 31.823 -0.055 0.000 0.648 80 V HN 0.579 nan 8.190 nan 0.000 0.447 81 L N -0.173 121.053 121.223 0.005 0.000 2.083 81 L HA -0.169 4.212 4.340 0.069 0.000 0.209 81 L C 2.706 179.589 176.870 0.021 0.000 1.083 81 L CA 1.737 56.605 54.840 0.046 0.000 0.752 81 L CB -0.623 41.484 42.059 0.080 0.000 0.899 81 L HN 0.376 nan 8.230 nan 0.000 0.433 82 S N -0.075 115.621 115.700 -0.007 0.000 2.368 82 S HA -0.188 4.324 4.470 0.069 0.000 0.225 82 S C 2.136 176.755 174.600 0.031 0.000 1.030 82 S CA 1.302 59.530 58.200 0.046 0.000 0.999 82 S CB -0.063 63.196 63.200 0.099 0.000 0.844 82 S HN 0.339 nan 8.310 nan 0.000 0.459 83 R N -0.014 120.479 120.500 -0.011 0.000 2.115 83 R HA 0.014 4.396 4.340 0.069 0.000 0.230 83 R C 2.224 178.534 176.300 0.017 0.000 1.111 83 R CA 1.351 57.453 56.100 0.005 0.000 0.976 83 R CB -0.420 29.870 30.300 -0.016 0.000 0.870 83 R HN 0.311 nan 8.270 nan 0.000 0.445 84 V N 1.337 121.262 119.914 0.018 0.000 2.427 84 V HA -0.223 3.939 4.120 0.069 0.000 0.248 84 V C 1.428 177.537 176.094 0.025 0.000 1.051 84 V CA 1.842 64.156 62.300 0.025 0.000 1.048 84 V CB -0.373 31.470 31.823 0.034 0.000 0.666 84 V HN 0.243 nan 8.190 nan 0.000 0.456 85 D N 0.740 121.157 120.400 0.028 0.000 2.144 85 D HA -0.086 4.595 4.640 0.069 0.000 0.199 85 D C 1.954 178.272 176.300 0.031 0.000 0.984 85 D CA 1.609 55.626 54.000 0.029 0.000 0.834 85 D CB -0.233 40.590 40.800 0.039 0.000 0.955 85 D HN 0.463 nan 8.370 nan 0.000 0.465 86 A N -0.381 122.460 122.820 0.036 0.000 2.259 86 A HA 0.420 4.781 4.320 0.069 0.000 0.208 86 A C 1.645 179.247 177.584 0.029 0.000 1.201 86 A CA 0.858 52.917 52.037 0.035 0.000 0.824 86 A CB -0.448 18.578 19.000 0.045 0.000 0.838 86 A HN 0.224 nan 8.150 nan 0.000 0.485 87 G N -0.702 108.113 108.800 0.025 0.000 2.179 87 G HA2 -0.319 3.682 3.960 0.069 0.000 0.257 87 G HA3 -0.319 3.682 3.960 0.069 0.000 0.257 87 G C 0.497 175.411 174.900 0.023 0.000 1.010 87 G CA 0.702 45.815 45.100 0.022 0.000 0.736 87 G HN 0.653 nan 8.290 nan 0.000 0.513 88 Q N -1.059 118.755 119.800 0.023 0.000 2.282 88 Q HA 0.368 4.749 4.340 0.069 0.000 0.206 88 Q C 0.572 176.584 176.000 0.020 0.000 0.878 88 Q CA 0.615 56.432 55.803 0.023 0.000 0.944 88 Q CB 0.922 29.675 28.738 0.024 0.000 1.100 88 Q HN 0.514 nan 8.270 nan 0.000 0.509 89 E N 0.509 120.721 120.200 0.020 0.000 2.392 89 E HA 0.272 4.663 4.350 0.069 0.000 0.279 89 E C -1.816 174.799 176.600 0.024 0.000 0.964 89 E CA -0.500 55.913 56.400 0.020 0.000 0.777 89 E CB 1.453 31.162 29.700 0.015 0.000 1.249 89 E HN -0.163 nan 8.360 nan 0.000 0.449 90 Q N 2.414 122.229 119.800 0.026 0.000 2.330 90 Q HA 0.444 4.825 4.340 0.069 0.000 0.269 90 Q C 0.331 176.352 176.000 0.035 0.000 1.022 90 Q CA -0.298 55.522 55.803 0.028 0.000 0.796 90 Q CB 1.860 30.613 28.738 0.025 0.000 1.271 90 Q HN 0.645 nan 8.270 nan 0.000 0.450 91 L N 0.605 121.856 121.223 0.046 0.000 2.191 91 L HA -0.077 4.305 4.340 0.069 0.000 0.212 91 L C 1.583 178.484 176.870 0.051 0.000 1.103 91 L CA 1.459 56.340 54.840 0.068 0.000 0.769 91 L CB -0.067 42.047 42.059 0.092 0.000 0.908 91 L HN 0.910 nan 8.230 nan 0.000 0.438 92 G N -0.658 108.164 108.800 0.036 0.000 2.985 92 G HA2 -0.072 3.930 3.960 0.069 0.000 0.209 92 G HA3 -0.072 3.930 3.960 0.069 0.000 0.209 92 G C 0.806 175.717 174.900 0.018 0.000 1.165 92 G CA -0.451 44.665 45.100 0.027 0.000 0.776 92 G HN 0.166 nan 8.290 nan 0.000 0.541 93 R N 0.906 121.417 120.500 0.018 0.000 2.449 93 R HA 0.211 4.593 4.340 0.069 0.000 0.296 93 R C 0.286 176.587 176.300 0.000 0.000 1.047 93 R CA -0.482 55.627 56.100 0.015 0.000 1.018 93 R CB 0.302 30.614 30.300 0.020 0.000 0.962 93 R HN 0.152 nan 8.270 nan 0.000 0.428 94 R N 4.828 125.325 120.500 -0.006 0.000 2.357 94 R HA 0.273 4.654 4.340 0.069 0.000 0.296 94 R C -0.684 175.585 176.300 -0.052 0.000 1.052 94 R CA -0.294 55.774 56.100 -0.053 0.000 0.988 94 R CB 0.670 30.924 30.300 -0.077 0.000 1.025 94 R HN 0.580 nan 8.270 nan 0.000 0.469 95 I N 4.273 124.795 120.570 -0.080 0.000 2.406 95 I HA 0.286 4.497 4.170 0.069 0.000 0.290 95 I C -0.217 175.886 176.117 -0.024 0.000 0.999 95 I CA -0.814 60.488 61.300 0.003 0.000 1.124 95 I CB 1.601 39.632 38.000 0.052 0.000 1.289 95 I HN 0.562 nan 8.210 nan 0.000 0.441 96 H N 5.729 124.878 119.070 0.131 0.000 2.533 96 H HA 0.549 5.147 4.556 0.069 0.000 0.343 96 H C -1.150 174.265 175.328 0.145 0.000 1.160 96 H CA -0.135 55.941 56.048 0.046 0.000 1.218 96 H CB 2.148 31.892 29.762 -0.030 0.000 1.566 96 H HN 0.523 nan 8.280 nan 0.000 0.522 97 Y N -1.351 119.036 120.300 0.144 0.000 2.840 97 Y HA 0.549 5.140 4.550 0.069 0.000 0.324 97 Y C -0.510 175.433 175.900 0.072 0.000 1.378 97 Y CA -1.115 57.034 58.100 0.082 0.000 1.077 97 Y CB 0.698 39.188 38.460 0.049 0.000 1.361 97 Y HN 0.573 nan 8.280 nan 0.000 0.459 98 S N -1.041 114.772 115.700 0.188 0.000 2.806 98 S HA 0.291 4.803 4.470 0.069 0.000 0.306 98 S C 0.366 175.049 174.600 0.140 0.000 1.167 98 S CA -0.412 57.834 58.200 0.077 0.000 0.847 98 S CB 1.760 64.982 63.200 0.036 0.000 1.216 98 S HN 0.836 nan 8.310 nan 0.000 0.532 99 Q N 0.925 120.770 119.800 0.075 0.000 2.234 99 Q HA -0.165 4.216 4.340 0.069 0.000 0.206 99 Q C 1.758 177.798 176.000 0.066 0.000 0.980 99 Q CA 2.238 58.084 55.803 0.072 0.000 0.869 99 Q CB -0.586 28.175 28.738 0.038 0.000 0.912 99 Q HN 0.820 nan 8.270 nan 0.000 0.436 100 N N -0.397 118.337 118.700 0.056 0.000 2.364 100 N HA -0.166 4.615 4.740 0.069 0.000 0.183 100 N C 0.761 176.295 175.510 0.039 0.000 1.022 100 N CA 1.702 54.774 53.050 0.036 0.000 0.883 100 N CB 0.012 38.513 38.487 0.023 0.000 0.965 100 N HN 0.256 nan 8.380 nan 0.000 0.438 101 D N -0.321 120.126 120.400 0.079 0.000 2.346 101 D HA 0.054 4.736 4.640 0.069 0.000 0.206 101 D C 0.091 176.419 176.300 0.046 0.000 1.001 101 D CA 0.055 54.093 54.000 0.064 0.000 0.871 101 D CB 0.444 41.310 40.800 0.110 0.000 0.943 101 D HN 0.324 nan 8.370 nan 0.000 0.518 102 L N 2.058 123.324 121.223 0.071 0.000 2.455 102 L HA 0.107 4.488 4.340 0.069 0.000 0.272 102 L C 0.521 177.413 176.870 0.036 0.000 1.174 102 L CA -0.265 54.605 54.840 0.050 0.000 0.869 102 L CB 0.877 42.978 42.059 0.070 0.000 1.130 102 L HN -0.174 nan 8.230 nan 0.000 0.474 103 V N -0.019 119.915 119.914 0.034 0.000 3.158 103 V HA 0.473 4.635 4.120 0.069 0.000 0.315 103 V C -0.200 175.930 176.094 0.060 0.000 1.148 103 V CA -1.171 61.158 62.300 0.048 0.000 1.042 103 V CB 1.679 33.539 31.823 0.062 0.000 1.101 103 V HN 0.835 nan 8.190 nan 0.000 0.448 104 E N 0.744 120.991 120.200 0.079 0.000 2.502 104 E HA 0.004 4.396 4.350 0.069 0.000 0.261 104 E C -0.516 176.189 176.600 0.175 0.000 0.974 104 E CA -0.029 56.437 56.400 0.109 0.000 0.936 104 E CB -0.086 29.678 29.700 0.107 0.000 0.926 104 E HN 1.178 nan 8.360 nan 0.000 0.459 105 Y N 1.964 122.280 120.300 0.028 0.000 2.903 105 Y HA -0.258 4.333 4.550 0.069 0.000 0.119 105 Y C -1.213 174.699 175.900 0.019 0.000 1.882 105 Y CA 1.025 59.139 58.100 0.024 0.000 1.019 105 Y CB -1.170 37.304 38.460 0.024 0.000 1.646 105 Y HN 0.550 nan 8.280 nan 0.000 0.329 106 S N 6.071 121.590 115.700 -0.303 0.000 2.235 106 S HA 0.210 4.721 4.470 0.069 0.000 0.152 106 S C -1.327 173.110 174.600 -0.272 0.000 1.649 106 S CA -0.167 57.891 58.200 -0.236 0.000 1.277 106 S CB 1.255 64.401 63.200 -0.090 0.000 1.299 106 S HN 0.520 nan 8.310 nan 0.000 0.388 107 P HA -0.104 nan 4.420 nan 0.000 0.216 107 P C 1.230 178.462 177.300 -0.114 0.000 1.150 107 P CA 1.046 63.963 63.100 -0.306 0.000 0.837 107 P CB 0.147 31.605 31.700 -0.403 0.000 0.786 108 V N 0.501 120.367 119.914 -0.079 0.000 2.374 108 V HA -0.119 4.042 4.120 0.069 0.000 0.241 108 V C 2.936 179.133 176.094 0.172 0.000 1.034 108 V CA 2.417 64.749 62.300 0.053 0.000 1.037 108 V CB -2.014 29.809 31.823 -0.000 0.000 0.682 108 V HN 0.219 nan 8.190 nan 0.000 0.463 109 T N 0.707 115.296 114.554 0.058 0.000 2.833 109 T HA -0.260 4.131 4.350 0.069 0.000 0.269 109 T C 1.637 176.488 174.700 0.253 0.000 1.054 109 T CA 1.724 63.904 62.100 0.133 0.000 1.135 109 T CB -0.595 68.191 68.868 -0.138 0.000 0.869 109 T HN 0.784 nan 8.240 nan 0.000 0.466 110 E N 2.413 122.681 120.200 0.114 0.000 2.333 110 E HA -0.203 4.188 4.350 0.069 0.000 0.198 110 E C 1.924 178.566 176.600 0.071 0.000 1.007 110 E CA 1.097 57.554 56.400 0.095 0.000 0.845 110 E CB -0.418 29.293 29.700 0.019 0.000 0.766 110 E HN 0.815 nan 8.360 nan 0.000 0.507 111 K N -0.223 120.210 120.400 0.055 0.000 2.372 111 K HA 0.106 4.467 4.320 0.069 0.000 0.200 111 K C 0.134 176.582 176.600 -0.254 0.000 1.022 111 K CA 0.020 56.246 56.287 -0.102 0.000 1.125 111 K CB 0.165 32.560 32.500 -0.175 0.000 0.855 111 K HN 0.146 nan 8.250 nan 0.000 0.524 112 H N 0.395 119.509 119.070 0.074 0.000 2.567 112 H HA 0.283 4.880 4.556 0.069 0.000 0.267 112 H C 0.976 176.253 175.328 -0.084 0.000 1.148 112 H CA -0.388 55.688 56.048 0.046 0.000 1.031 112 H CB 0.448 30.277 29.762 0.110 0.000 1.691 112 H HN -0.003 nan 8.280 nan 0.000 0.588 113 L N 0.268 121.472 121.223 -0.033 0.000 2.081 113 L HA -0.207 4.174 4.340 0.069 0.000 0.212 113 L C 2.323 179.065 176.870 -0.213 0.000 1.080 113 L CA 2.158 56.855 54.840 -0.238 0.000 0.754 113 L CB -0.263 41.749 42.059 -0.080 0.000 0.893 113 L HN 0.513 nan 8.230 nan 0.000 0.433 114 T N -5.976 108.528 114.554 -0.082 0.000 3.044 114 T HA -0.017 4.375 4.350 0.069 0.000 0.255 114 T C 1.335 176.068 174.700 0.055 0.000 1.073 114 T CA 0.416 62.498 62.100 -0.030 0.000 1.125 114 T CB -0.025 68.826 68.868 -0.029 0.000 0.908 114 T HN 0.117 nan 8.240 nan 0.000 0.480 115 D N 1.575 122.011 120.400 0.061 0.000 2.249 115 D HA 0.321 5.003 4.640 0.069 0.000 0.205 115 D C 1.440 177.775 176.300 0.057 0.000 0.962 115 D CA 1.237 55.306 54.000 0.115 0.000 0.860 115 D CB -0.314 40.578 40.800 0.153 0.000 0.955 115 D HN 0.724 nan 8.370 nan 0.000 0.505 116 G N 0.148 108.910 108.800 -0.064 0.000 2.828 116 G HA2 -0.179 3.823 3.960 0.069 0.000 0.463 116 G HA3 -0.179 3.823 3.960 0.069 0.000 0.463 116 G C -0.556 174.291 174.900 -0.089 0.000 1.394 116 G CA -0.287 44.613 45.100 -0.333 0.000 0.862 116 G HN 0.102 nan 8.290 nan 0.000 0.540 117 M N 0.388 119.957 119.600 -0.052 0.000 2.531 117 M HA 0.505 5.026 4.480 0.069 0.000 0.286 117 M C 0.595 176.845 176.300 -0.084 0.000 1.232 117 M CA -0.378 54.871 55.300 -0.085 0.000 0.877 117 M CB 2.725 35.268 32.600 -0.096 0.000 1.726 117 M HN 1.135 nan 8.290 nan 0.000 0.463 118 T N -1.335 113.169 114.554 -0.082 0.000 2.849 118 T HA 0.346 4.737 4.350 0.069 0.000 0.284 118 T C 1.037 175.707 174.700 -0.049 0.000 1.004 118 T CA -0.891 61.180 62.100 -0.048 0.000 1.021 118 T CB 0.969 69.825 68.868 -0.021 0.000 1.013 118 T HN 0.402 nan 8.240 nan 0.000 0.527 119 V N 1.193 121.093 119.914 -0.024 0.000 2.332 119 V HA -0.153 4.008 4.120 0.069 0.000 0.248 119 V C 3.005 179.081 176.094 -0.030 0.000 1.055 119 V CA 2.232 64.514 62.300 -0.030 0.000 1.038 119 V CB -1.010 30.815 31.823 0.004 0.000 0.651 119 V HN 0.934 nan 8.190 nan 0.000 0.450 120 R N 0.082 120.611 120.500 0.048 0.000 2.073 120 R HA -0.196 4.185 4.340 0.069 0.000 0.234 120 R C 2.293 178.608 176.300 0.024 0.000 1.134 120 R CA 2.012 58.211 56.100 0.164 0.000 0.952 120 R CB -0.204 30.217 30.300 0.202 0.000 0.850 120 R HN 0.635 nan 8.270 nan 0.000 0.433 121 E N 0.276 120.456 120.200 -0.034 0.000 2.150 121 E HA -0.179 4.212 4.350 0.069 0.000 0.193 121 E C 2.075 178.554 176.600 -0.201 0.000 0.985 121 E CA 1.075 57.412 56.400 -0.104 0.000 0.814 121 E CB -0.022 29.601 29.700 -0.129 0.000 0.752 121 E HN 0.375 nan 8.360 nan 0.000 0.466 122 L N 0.115 121.213 121.223 -0.209 0.000 2.072 122 L HA -0.167 4.215 4.340 0.069 0.000 0.205 122 L C 2.537 179.189 176.870 -0.363 0.000 1.079 122 L CA 0.629 55.321 54.840 -0.247 0.000 0.752 122 L CB -0.263 41.678 42.059 -0.196 0.000 0.906 122 L HN 0.280 nan 8.230 nan 0.000 0.436 123 c N -1.263 117.027 118.600 -0.516 0.000 2.425 123 c HA -0.159 4.452 4.570 0.069 0.000 0.277 123 c C 3.357 176.785 174.090 -1.103 0.000 1.280 123 c CA 1.362 57.156 56.329 -0.891 0.000 1.744 123 c CB -0.513 41.139 42.510 -1.430 0.000 1.989 123 c HN 0.577 nan 8.230 nan 0.000 0.491 124 S N 0.512 115.627 115.700 -0.976 0.000 2.368 124 S HA -0.105 4.407 4.470 0.069 0.000 0.225 124 S C 2.044 176.431 174.600 -0.355 0.000 1.030 124 S CA 1.637 59.432 58.200 -0.674 0.000 0.999 124 S CB -0.295 62.786 63.200 -0.198 0.000 0.844 124 S HN 0.609 nan 8.310 nan 0.000 0.459 125 A N 1.283 123.932 122.820 -0.285 0.000 1.902 125 A HA 0.217 4.578 4.320 0.069 0.000 0.217 125 A C 2.453 179.929 177.584 -0.181 0.000 1.181 125 A CA 1.859 53.784 52.037 -0.187 0.000 0.623 125 A CB -1.340 17.557 19.000 -0.172 0.000 0.818 125 A HN 0.755 nan 8.150 nan 0.000 0.443 126 A N -0.181 122.488 122.820 -0.251 0.000 1.873 126 A HA -0.017 4.344 4.320 0.069 0.000 0.215 126 A C 2.153 179.616 177.584 -0.202 0.000 1.186 126 A CA 1.523 53.428 52.037 -0.220 0.000 0.616 126 A CB -0.521 18.310 19.000 -0.282 0.000 0.823 126 A HN 0.478 nan 8.150 nan 0.000 0.442 127 I N -0.297 120.116 120.570 -0.261 0.000 2.235 127 I HA -0.168 4.043 4.170 0.069 0.000 0.241 127 I C 2.879 178.944 176.117 -0.087 0.000 1.085 127 I CA 1.820 63.017 61.300 -0.172 0.000 1.378 127 I CB -0.465 37.438 38.000 -0.162 0.000 1.076 127 I HN 0.533 nan 8.210 nan 0.000 0.415 128 T N -1.582 112.921 114.554 -0.085 0.000 2.942 128 T HA -0.010 4.381 4.350 0.069 0.000 0.265 128 T C 1.506 176.203 174.700 -0.005 0.000 1.062 128 T CA 0.713 62.801 62.100 -0.021 0.000 1.139 128 T CB 0.121 68.995 68.868 0.009 0.000 0.883 128 T HN 0.034 nan 8.240 nan 0.000 0.468 129 M N 0.940 120.531 119.600 -0.015 0.000 2.346 129 M HA 0.408 4.929 4.480 0.069 0.000 0.280 129 M C 0.704 177.074 176.300 0.116 0.000 1.075 129 M CA -0.016 55.306 55.300 0.037 0.000 0.989 129 M CB -0.260 32.340 32.600 0.000 0.000 1.447 129 M HN 0.332 nan 8.290 nan 0.000 0.511 130 S N 1.422 117.167 115.700 0.075 0.000 3.587 130 S HA -0.142 4.370 4.470 0.069 0.000 0.337 130 S C 0.236 174.957 174.600 0.201 0.000 1.119 130 S CA 0.624 58.903 58.200 0.132 0.000 0.976 130 S CB -1.531 61.775 63.200 0.176 0.000 0.922 130 S HN 0.626 nan 8.310 nan 0.000 0.503 131 D N 1.091 121.520 120.400 0.050 0.000 2.358 131 D HA 0.126 4.807 4.640 0.069 0.000 0.258 131 D C 1.123 177.430 176.300 0.011 0.000 1.223 131 D CA -0.208 53.784 54.000 -0.013 0.000 0.886 131 D CB 0.333 41.073 40.800 -0.099 0.000 1.120 131 D HN 0.204 nan 8.370 nan 0.000 0.482 132 N N 2.172 120.915 118.700 0.073 0.000 2.171 132 N HA -0.111 4.670 4.740 0.069 0.000 0.184 132 N C 1.538 177.079 175.510 0.050 0.000 1.021 132 N CA 0.989 54.096 53.050 0.094 0.000 0.854 132 N CB -0.081 38.492 38.487 0.143 0.000 0.994 132 N HN 0.425 nan 8.380 nan 0.000 0.426 133 T N 1.308 115.856 114.554 -0.011 0.000 2.821 133 T HA -0.028 4.363 4.350 0.069 0.000 0.267 133 T C 2.026 176.656 174.700 -0.117 0.000 1.046 133 T CA 1.202 63.266 62.100 -0.061 0.000 1.139 133 T CB -0.280 68.512 68.868 -0.126 0.000 0.871 133 T HN 0.311 nan 8.240 nan 0.000 0.454 134 A N 1.636 124.366 122.820 -0.149 0.000 1.908 134 A HA 0.039 4.400 4.320 0.069 0.000 0.218 134 A C 2.657 180.173 177.584 -0.113 0.000 1.181 134 A CA 2.002 53.932 52.037 -0.178 0.000 0.627 134 A CB -1.172 17.717 19.000 -0.185 0.000 0.818 134 A HN 0.519 nan 8.150 nan 0.000 0.445 135 A N -0.070 122.716 122.820 -0.058 0.000 1.902 135 A HA -0.195 4.166 4.320 0.069 0.000 0.217 135 A C 1.930 179.571 177.584 0.094 0.000 1.181 135 A CA 1.881 53.914 52.037 -0.007 0.000 0.623 135 A CB -0.623 18.418 19.000 0.067 0.000 0.818 135 A HN 0.539 nan 8.150 nan 0.000 0.443 136 N N 0.101 118.890 118.700 0.148 0.000 2.188 136 N HA -0.061 4.720 4.740 0.069 0.000 0.184 136 N C 1.610 177.269 175.510 0.248 0.000 1.018 136 N CA 1.181 54.410 53.050 0.298 0.000 0.858 136 N CB -0.464 38.204 38.487 0.302 0.000 0.989 136 N HN 0.519 nan 8.380 nan 0.000 0.426 137 L N 0.254 121.521 121.223 0.072 0.000 2.056 137 L HA -0.093 4.288 4.340 0.069 0.000 0.207 137 L C 2.089 178.985 176.870 0.043 0.000 1.078 137 L CA 0.786 55.645 54.840 0.032 0.000 0.749 137 L CB -0.402 41.597 42.059 -0.100 0.000 0.901 137 L HN 0.128 nan 8.230 nan 0.000 0.433 138 L N -0.714 120.506 121.223 -0.005 0.000 2.093 138 L HA -0.214 4.167 4.340 0.069 0.000 0.208 138 L C 2.503 179.367 176.870 -0.010 0.000 1.085 138 L CA 0.992 55.813 54.840 -0.032 0.000 0.755 138 L CB -0.368 41.635 42.059 -0.094 0.000 0.904 138 L HN 0.243 nan 8.230 nan 0.000 0.435 139 L N -0.719 120.506 121.223 0.003 0.000 2.083 139 L HA -0.226 4.156 4.340 0.069 0.000 0.209 139 L C 2.602 179.467 176.870 -0.007 0.000 1.083 139 L CA 1.498 56.267 54.840 -0.117 0.000 0.752 139 L CB -0.585 41.215 42.059 -0.431 0.000 0.899 139 L HN 0.281 nan 8.230 nan 0.000 0.433 140 T N -1.458 113.233 114.554 0.230 0.000 2.788 140 T HA -0.187 4.204 4.350 0.069 0.000 0.268 140 T C 1.883 176.666 174.700 0.139 0.000 1.044 140 T CA 1.848 64.127 62.100 0.299 0.000 1.139 140 T CB -0.349 68.686 68.868 0.277 0.000 0.867 140 T HN 0.585 nan 8.240 nan 0.000 0.454 141 T N 1.588 116.189 114.554 0.078 0.000 2.833 141 T HA -0.050 4.341 4.350 0.069 0.000 0.269 141 T C 1.932 176.646 174.700 0.024 0.000 1.054 141 T CA 1.187 63.313 62.100 0.043 0.000 1.135 141 T CB -0.753 68.125 68.868 0.017 0.000 0.869 141 T HN 0.672 nan 8.240 nan 0.000 0.466 142 I N -2.563 118.008 120.570 0.002 0.000 3.793 142 I HA 0.624 4.835 4.170 0.069 0.000 0.315 142 I C 1.610 177.728 176.117 0.002 0.000 1.275 142 I CA 0.150 61.438 61.300 -0.019 0.000 1.214 142 I CB -0.188 37.769 38.000 -0.072 0.000 1.018 142 I HN 0.389 nan 8.210 nan 0.000 0.439 143 G N 0.619 109.439 108.800 0.032 0.000 2.168 143 G HA2 0.115 4.117 3.960 0.069 0.000 0.197 143 G HA3 0.115 4.117 3.960 0.069 0.000 0.197 143 G C 0.667 175.596 174.900 0.048 0.000 0.997 143 G CA -0.320 44.812 45.100 0.054 0.000 0.658 143 G HN 1.462 nan 8.290 nan 0.000 0.513 144 G N -0.718 108.062 108.800 -0.034 0.000 2.796 144 G HA2 0.151 4.152 3.960 0.069 0.000 0.571 144 G HA3 0.151 4.152 3.960 0.069 0.000 0.571 144 G C -0.906 173.818 174.900 -0.294 0.000 1.370 144 G CA 0.196 45.157 45.100 -0.233 0.000 0.856 144 G HN 0.554 nan 8.290 nan 0.000 0.538 145 P HA -0.113 nan 4.420 nan 0.000 0.216 145 P C 1.917 179.141 177.300 -0.127 0.000 1.154 145 P CA 2.125 65.034 63.100 -0.318 0.000 0.865 145 P CB -0.039 31.447 31.700 -0.356 0.000 0.789 146 K N -0.673 119.688 120.400 -0.064 0.000 2.057 146 K HA -0.159 4.202 4.320 0.069 0.000 0.207 146 K C 1.968 178.573 176.600 0.008 0.000 1.049 146 K CA 1.103 57.383 56.287 -0.012 0.000 0.931 146 K CB -0.291 32.218 32.500 0.014 0.000 0.714 146 K HN 0.134 nan 8.250 nan 0.000 0.440 147 E N 0.722 120.926 120.200 0.007 0.000 2.158 147 E HA -0.115 4.276 4.350 0.069 0.000 0.191 147 E C 1.925 178.571 176.600 0.077 0.000 0.982 147 E CA 0.506 56.931 56.400 0.042 0.000 0.823 147 E CB -0.086 29.632 29.700 0.030 0.000 0.766 147 E HN 0.128 nan 8.360 nan 0.000 0.468 148 L N 1.014 122.257 121.223 0.033 0.000 2.056 148 L HA -0.091 4.290 4.340 0.069 0.000 0.207 148 L C 2.027 179.003 176.870 0.176 0.000 1.078 148 L CA 1.780 56.678 54.840 0.097 0.000 0.749 148 L CB -0.860 41.224 42.059 0.041 0.000 0.901 148 L HN -0.004 nan 8.230 nan 0.000 0.433 149 T N -0.130 114.481 114.554 0.095 0.000 2.821 149 T HA -0.108 4.283 4.350 0.069 0.000 0.267 149 T C 1.912 176.691 174.700 0.132 0.000 1.046 149 T CA 1.225 63.385 62.100 0.100 0.000 1.139 149 T CB -0.472 68.421 68.868 0.042 0.000 0.871 149 T HN 0.508 nan 8.240 nan 0.000 0.454 150 A N 1.136 124.025 122.820 0.115 0.000 1.933 150 A HA -0.017 4.345 4.320 0.069 0.000 0.218 150 A C 1.994 179.679 177.584 0.168 0.000 1.175 150 A CA 1.278 53.381 52.037 0.111 0.000 0.628 150 A CB -0.945 18.101 19.000 0.077 0.000 0.814 150 A HN 0.501 nan 8.150 nan 0.000 0.444 151 F N 0.715 120.703 119.950 0.062 0.000 2.126 151 F HA -0.157 4.411 4.527 0.069 0.000 0.299 151 F C 1.843 177.694 175.800 0.085 0.000 1.096 151 F CA 1.757 59.796 58.000 0.065 0.000 1.255 151 F CB -0.310 38.720 39.000 0.050 0.000 0.997 151 F HN 0.147 nan 8.300 nan 0.000 0.479 152 L N -0.545 120.714 121.223 0.060 0.000 2.017 152 L HA -0.261 4.120 4.340 0.069 0.000 0.208 152 L C 2.756 179.612 176.870 -0.023 0.000 1.073 152 L CA 1.726 56.544 54.840 -0.037 0.000 0.745 152 L CB -1.219 40.909 42.059 0.114 0.000 0.894 152 L HN 0.279 nan 8.230 nan 0.000 0.432 153 H N 0.424 119.499 119.070 0.009 0.000 2.352 153 H HA -0.211 4.386 4.556 0.069 0.000 0.299 153 H C 2.023 177.381 175.328 0.051 0.000 1.097 153 H CA 2.153 58.245 56.048 0.074 0.000 1.311 153 H CB 0.036 29.788 29.762 -0.016 0.000 1.377 153 H HN 0.298 nan 8.280 nan 0.000 0.504 154 N N 0.833 119.597 118.700 0.107 0.000 2.272 154 N HA -0.164 4.617 4.740 0.069 0.000 0.185 154 N C 1.998 177.459 175.510 -0.083 0.000 1.014 154 N CA 1.666 54.737 53.050 0.034 0.000 0.870 154 N CB -0.299 38.189 38.487 0.002 0.000 0.975 154 N HN 0.556 nan 8.380 nan 0.000 0.433 155 M N -3.576 115.900 119.600 -0.207 0.000 2.494 155 M HA 0.432 4.953 4.480 0.069 0.000 0.232 155 M C 1.002 177.199 176.300 -0.172 0.000 1.137 155 M CA 0.603 55.769 55.300 -0.224 0.000 1.012 155 M CB 0.659 33.040 32.600 -0.365 0.000 1.567 155 M HN 0.003 nan 8.290 nan 0.000 0.486 156 G N 0.301 109.001 108.800 -0.166 0.000 2.179 156 G HA2 -0.227 3.774 3.960 0.069 0.000 0.220 156 G HA3 -0.227 3.774 3.960 0.069 0.000 0.220 156 G C -0.455 174.220 174.900 -0.375 0.000 0.990 156 G CA 0.093 45.017 45.100 -0.294 0.000 0.646 156 G HN 0.575 nan 8.290 nan 0.000 0.517 157 D N 0.661 120.956 120.400 -0.176 0.000 2.411 157 D HA 0.366 5.047 4.640 0.069 0.000 0.225 157 D C 0.896 177.219 176.300 0.039 0.000 1.156 157 D CA -0.306 53.637 54.000 -0.095 0.000 0.874 157 D CB -0.296 40.487 40.800 -0.027 0.000 1.034 157 D HN 0.587 nan 8.370 nan 0.000 0.502 158 H N 1.729 120.704 119.070 -0.159 0.000 2.519 158 H HA 0.146 4.743 4.556 0.070 0.000 0.289 158 H C 1.113 176.450 175.328 0.014 0.000 1.040 158 H CA -0.395 55.594 56.048 -0.097 0.000 1.165 158 H CB 1.187 30.866 29.762 -0.139 0.000 1.462 158 H HN 0.192 nan 8.280 nan 0.000 0.555 159 V N -0.454 119.531 119.914 0.117 0.000 2.948 159 V HA -0.034 4.127 4.120 0.069 0.000 0.234 159 V C 1.026 177.160 176.094 0.067 0.000 1.205 159 V CA 0.531 62.878 62.300 0.079 0.000 1.234 159 V CB 0.754 32.607 31.823 0.051 0.000 1.020 159 V HN 0.201 nan 8.190 nan 0.000 0.491 160 T N 4.556 119.152 114.554 0.069 0.000 2.902 160 T HA 0.357 4.748 4.350 0.069 0.000 0.301 160 T C -0.054 174.684 174.700 0.064 0.000 1.012 160 T CA 0.203 62.342 62.100 0.065 0.000 1.151 160 T CB -0.034 68.884 68.868 0.083 0.000 0.946 160 T HN 0.596 nan 8.240 nan 0.000 0.542 161 R N 1.976 122.496 120.500 0.034 0.000 2.604 161 R HA 0.708 5.089 4.340 0.069 0.000 0.281 161 R C -1.875 174.407 176.300 -0.030 0.000 1.020 161 R CA -1.130 54.978 56.100 0.014 0.000 0.899 161 R CB 1.056 31.360 30.300 0.005 0.000 1.205 161 R HN 0.409 nan 8.270 nan 0.000 0.450 162 L N 2.024 123.213 121.223 -0.057 0.000 2.322 162 L HA 0.440 4.822 4.340 0.069 0.000 0.281 162 L C -0.774 176.009 176.870 -0.145 0.000 1.014 162 L CA 0.199 54.945 54.840 -0.156 0.000 0.815 162 L CB 1.987 43.911 42.059 -0.225 0.000 1.247 162 L HN 0.851 nan 8.230 nan 0.000 0.421 163 D N 2.005 122.315 120.400 -0.150 0.000 2.482 163 D HA 0.244 4.926 4.640 0.069 0.000 0.251 163 D C 0.060 176.318 176.300 -0.070 0.000 1.073 163 D CA 0.177 54.125 54.000 -0.088 0.000 0.892 163 D CB 0.564 41.335 40.800 -0.048 0.000 1.202 163 D HN 0.399 nan 8.370 nan 0.000 0.496 164 R N -0.803 119.627 120.500 -0.117 0.000 3.018 164 R HA 0.582 4.963 4.340 0.069 0.000 0.243 164 R C -1.143 175.086 176.300 -0.119 0.000 1.315 164 R CA -0.890 55.215 56.100 0.009 0.000 1.039 164 R CB 1.120 31.450 30.300 0.051 0.000 1.315 164 R HN -0.072 nan 8.270 nan 0.000 0.492 165 W N 0.172 121.416 121.300 -0.093 0.000 2.630 165 W HA 0.360 5.062 4.660 0.070 0.000 0.365 165 W C 0.119 176.607 176.519 -0.052 0.000 1.270 165 W CA -0.550 56.751 57.345 -0.074 0.000 1.291 165 W CB 0.337 29.781 29.460 -0.026 0.000 1.440 165 W HN 0.137 nan 8.180 nan 0.000 0.652 166 E N 2.253 122.609 120.200 0.260 0.000 2.354 166 E HA 0.078 4.469 4.350 0.069 0.000 0.269 166 E C -1.535 175.161 176.600 0.161 0.000 1.036 166 E CA -1.245 55.264 56.400 0.182 0.000 0.876 166 E CB 0.966 30.786 29.700 0.200 0.000 1.009 166 E HN 0.117 nan 8.360 nan 0.000 0.416 167 P HA 0.111 nan 4.420 nan 0.000 0.264 167 P C 0.339 177.682 177.300 0.072 0.000 1.259 167 P CA 0.280 63.437 63.100 0.096 0.000 0.841 167 P CB 0.635 32.385 31.700 0.083 0.000 1.232 168 E N 0.991 121.233 120.200 0.070 0.000 2.209 168 E HA -0.143 4.248 4.350 0.069 0.000 0.196 168 E C 1.803 178.418 176.600 0.024 0.000 0.993 168 E CA 1.057 57.486 56.400 0.048 0.000 0.819 168 E CB -1.081 28.652 29.700 0.055 0.000 0.745 168 E HN 0.305 nan 8.360 nan 0.000 0.477 169 L N -0.752 120.473 121.223 0.003 0.000 2.450 169 L HA -0.002 4.380 4.340 0.069 0.000 0.224 169 L C 0.986 177.842 176.870 -0.022 0.000 1.149 169 L CA 1.393 56.198 54.840 -0.058 0.000 0.816 169 L CB -0.252 41.689 42.059 -0.196 0.000 0.932 169 L HN -0.029 nan 8.230 nan 0.000 0.449 170 N N 0.349 119.060 118.700 0.019 0.000 2.270 170 N HA -0.011 4.771 4.740 0.069 0.000 0.198 170 N C 1.113 176.643 175.510 0.033 0.000 1.117 170 N CA 0.264 53.338 53.050 0.040 0.000 0.845 170 N CB 0.175 38.698 38.487 0.059 0.000 0.980 170 N HN 0.623 nan 8.380 nan 0.000 0.486 171 E N 1.339 121.552 120.200 0.022 0.000 2.118 171 E HA -0.092 4.299 4.350 0.069 0.000 0.195 171 E C 0.609 177.220 176.600 0.019 0.000 0.992 171 E CA 0.789 57.201 56.400 0.020 0.000 0.804 171 E CB -0.061 29.647 29.700 0.013 0.000 0.741 171 E HN 0.325 nan 8.360 nan 0.000 0.458 172 A N 0.704 123.534 122.820 0.016 0.000 2.745 172 A HA -0.226 4.135 4.320 0.069 0.000 0.296 172 A C 0.288 177.877 177.584 0.008 0.000 1.500 172 A CA 0.371 52.418 52.037 0.018 0.000 0.766 172 A CB -2.487 16.537 19.000 0.040 0.000 1.030 172 A HN 0.291 nan 8.150 nan 0.000 0.489 173 I N 0.447 121.017 120.570 -0.001 0.000 2.668 173 I HA 0.099 4.311 4.170 0.069 0.000 0.285 173 I C -1.618 174.490 176.117 -0.015 0.000 1.168 173 I CA -1.448 59.849 61.300 -0.005 0.000 1.424 173 I CB 0.474 38.470 38.000 -0.007 0.000 1.377 173 I HN 0.153 nan 8.210 nan 0.000 0.560 174 P HA -0.016 nan 4.420 nan 0.000 0.262 174 P C -0.100 177.179 177.300 -0.036 0.000 1.182 174 P CA 0.445 63.529 63.100 -0.027 0.000 0.761 174 P CB 0.243 31.933 31.700 -0.017 0.000 0.795 175 N N -0.726 117.941 118.700 -0.056 0.000 2.863 175 N HA -0.194 4.587 4.740 0.069 0.000 0.245 175 N C -0.092 175.388 175.510 -0.050 0.000 1.001 175 N CA 1.088 54.103 53.050 -0.058 0.000 0.901 175 N CB -1.487 36.973 38.487 -0.044 0.000 1.124 175 N HN 0.509 nan 8.380 nan 0.000 0.582 176 D N 1.297 121.670 120.400 -0.045 0.000 2.277 176 D HA 0.188 4.870 4.640 0.069 0.000 0.249 176 D C 0.924 177.197 176.300 -0.045 0.000 1.134 176 D CA 0.040 54.018 54.000 -0.037 0.000 0.863 176 D CB 0.716 41.500 40.800 -0.027 0.000 1.143 176 D HN 0.128 nan 8.370 nan 0.000 0.458 177 E N 2.319 122.495 120.200 -0.039 0.000 2.479 177 E HA 0.048 4.439 4.350 0.069 0.000 0.193 177 E C 0.261 176.839 176.600 -0.036 0.000 1.049 177 E CA -0.079 56.296 56.400 -0.041 0.000 0.870 177 E CB 0.480 30.160 29.700 -0.033 0.000 0.944 177 E HN 0.279 nan 8.360 nan 0.000 0.492 178 R N 2.028 122.508 120.500 -0.034 0.000 2.623 178 R HA -0.033 4.348 4.340 0.069 0.000 0.271 178 R C -0.121 176.148 176.300 -0.051 0.000 1.043 178 R CA 0.325 56.402 56.100 -0.037 0.000 1.083 178 R CB 0.171 30.453 30.300 -0.030 0.000 0.974 178 R HN 0.082 nan 8.270 nan 0.000 0.436 179 D N 0.283 120.643 120.400 -0.067 0.000 2.772 179 D HA -0.158 4.523 4.640 0.069 0.000 0.233 179 D C -0.160 176.101 176.300 -0.065 0.000 1.143 179 D CA 1.729 55.675 54.000 -0.091 0.000 0.700 179 D CB -1.116 39.616 40.800 -0.113 0.000 1.076 179 D HN 0.737 nan 8.370 nan 0.000 0.430 180 T N -3.983 110.540 114.554 -0.051 0.000 2.926 180 T HA 0.736 5.127 4.350 0.069 0.000 0.289 180 T C 0.099 174.777 174.700 -0.037 0.000 1.054 180 T CA -0.490 61.576 62.100 -0.057 0.000 1.015 180 T CB 3.424 72.256 68.868 -0.059 0.000 1.167 180 T HN 0.034 nan 8.240 nan 0.000 0.526 181 T N -0.120 114.397 114.554 -0.061 0.000 2.696 181 T HA 0.775 5.166 4.350 0.069 0.000 0.291 181 T C -1.085 173.624 174.700 0.015 0.000 1.095 181 T CA -0.260 61.834 62.100 -0.010 0.000 1.026 181 T CB 1.461 70.343 68.868 0.023 0.000 1.390 181 T HN 1.237 nan 8.240 nan 0.000 0.513 182 T N -0.176 114.427 114.554 0.083 0.000 2.916 182 T HA 0.595 4.986 4.350 0.069 0.000 0.292 182 T C -2.286 172.535 174.700 0.201 0.000 1.055 182 T CA -1.768 60.428 62.100 0.160 0.000 1.009 182 T CB 1.477 70.417 68.868 0.120 0.000 1.118 182 T HN 0.267 nan 8.240 nan 0.000 0.497 183 P HA -0.082 nan 4.420 nan 0.000 0.216 183 P C 1.675 179.044 177.300 0.116 0.000 1.153 183 P CA 1.760 64.986 63.100 0.210 0.000 0.858 183 P CB -0.212 31.580 31.700 0.153 0.000 0.789 184 A N -0.244 122.629 122.820 0.088 0.000 1.902 184 A HA -0.107 4.254 4.320 0.069 0.000 0.217 184 A C 2.320 179.927 177.584 0.039 0.000 1.181 184 A CA 2.128 54.191 52.037 0.043 0.000 0.623 184 A CB -1.598 17.421 19.000 0.031 0.000 0.818 184 A HN 0.196 nan 8.150 nan 0.000 0.443 185 A N -1.013 121.841 122.820 0.056 0.000 1.873 185 A HA -0.079 4.283 4.320 0.069 0.000 0.215 185 A C 2.183 179.804 177.584 0.062 0.000 1.186 185 A CA 2.234 54.296 52.037 0.043 0.000 0.616 185 A CB -0.491 18.538 19.000 0.048 0.000 0.823 185 A HN 0.564 nan 8.150 nan 0.000 0.442 186 M N 0.398 120.063 119.600 0.109 0.000 2.117 186 M HA 0.017 4.539 4.480 0.069 0.000 0.262 186 M C 2.093 178.447 176.300 0.089 0.000 1.065 186 M CA 1.683 57.063 55.300 0.135 0.000 1.114 186 M CB -0.734 32.015 32.600 0.248 0.000 1.361 186 M HN 0.353 nan 8.290 nan 0.000 0.408 187 A N -0.677 122.181 122.820 0.062 0.000 1.902 187 A HA -0.158 4.203 4.320 0.069 0.000 0.217 187 A C 2.264 179.859 177.584 0.017 0.000 1.181 187 A CA 2.486 54.537 52.037 0.024 0.000 0.623 187 A CB -1.642 17.352 19.000 -0.011 0.000 0.818 187 A HN 0.692 nan 8.150 nan 0.000 0.443 188 T N -3.290 111.270 114.554 0.009 0.000 2.777 188 T HA -0.127 4.264 4.350 0.069 0.000 0.266 188 T C 1.825 176.525 174.700 -0.001 0.000 1.040 188 T CA 2.012 64.108 62.100 -0.007 0.000 1.141 188 T CB -1.012 67.841 68.868 -0.025 0.000 0.868 188 T HN 0.296 nan 8.240 nan 0.000 0.444 189 T N 2.159 116.722 114.554 0.015 0.000 2.746 189 T HA 0.047 4.438 4.350 0.069 0.000 0.267 189 T C 1.778 176.507 174.700 0.049 0.000 1.039 189 T CA 1.213 63.328 62.100 0.024 0.000 1.142 189 T CB -0.520 68.377 68.868 0.047 0.000 0.866 189 T HN 0.242 nan 8.240 nan 0.000 0.444 190 L N 1.446 122.705 121.223 0.060 0.000 2.093 190 L HA 0.061 4.442 4.340 0.069 0.000 0.208 190 L C 2.458 179.361 176.870 0.055 0.000 1.085 190 L CA 1.687 56.569 54.840 0.069 0.000 0.755 190 L CB -0.515 41.586 42.059 0.070 0.000 0.904 190 L HN 0.087 nan 8.230 nan 0.000 0.435 191 R N -0.295 120.226 120.500 0.035 0.000 2.073 191 R HA -0.190 4.191 4.340 0.069 0.000 0.234 191 R C 2.248 178.560 176.300 0.019 0.000 1.134 191 R CA 1.827 57.941 56.100 0.023 0.000 0.952 191 R CB -0.188 30.115 30.300 0.006 0.000 0.850 191 R HN 0.337 nan 8.270 nan 0.000 0.433 192 K N 0.317 120.724 120.400 0.012 0.000 2.097 192 K HA -0.109 4.252 4.320 0.069 0.000 0.206 192 K C 2.128 178.745 176.600 0.029 0.000 1.049 192 K CA 1.482 57.773 56.287 0.005 0.000 0.933 192 K CB -0.128 32.361 32.500 -0.017 0.000 0.717 192 K HN 0.224 nan 8.250 nan 0.000 0.442 193 L N 0.645 121.901 121.223 0.055 0.000 2.093 193 L HA -0.146 4.236 4.340 0.069 0.000 0.208 193 L C 1.908 178.819 176.870 0.068 0.000 1.085 193 L CA 1.034 55.926 54.840 0.087 0.000 0.755 193 L CB -0.210 41.923 42.059 0.122 0.000 0.904 193 L HN 0.174 nan 8.230 nan 0.000 0.435 194 L N -0.944 120.313 121.223 0.056 0.000 2.592 194 L HA 0.116 4.497 4.340 0.069 0.000 0.227 194 L C 0.757 177.639 176.870 0.020 0.000 1.127 194 L CA -0.017 54.850 54.840 0.045 0.000 0.884 194 L CB -0.566 41.529 42.059 0.060 0.000 1.065 194 L HN 0.367 nan 8.230 nan 0.000 0.457 195 T N -4.196 110.367 114.554 0.015 0.000 2.812 195 T HA 0.722 5.114 4.350 0.069 0.000 0.294 195 T C 0.331 175.031 174.700 0.000 0.000 1.159 195 T CA -0.073 62.027 62.100 -0.001 0.000 1.008 195 T CB 2.270 71.134 68.868 -0.007 0.000 1.289 195 T HN 0.204 nan 8.240 nan 0.000 0.514 196 G N 0.980 109.776 108.800 -0.007 0.000 2.528 196 G HA2 -0.175 3.826 3.960 0.069 0.000 0.262 196 G HA3 -0.175 3.826 3.960 0.069 0.000 0.262 196 G C 0.153 175.053 174.900 -0.001 0.000 1.200 196 G CA 0.491 45.587 45.100 -0.006 0.000 0.951 196 G HN 0.905 nan 8.290 nan 0.000 0.566 197 E N 0.062 120.264 120.200 0.002 0.000 2.562 197 E HA 0.271 4.662 4.350 0.069 0.000 0.214 197 E C 2.640 179.253 176.600 0.022 0.000 0.979 197 E CA -0.105 56.300 56.400 0.009 0.000 1.002 197 E CB 0.479 30.182 29.700 0.005 0.000 1.048 197 E HN 0.473 nan 8.360 nan 0.000 0.488 198 L N 0.292 121.532 121.223 0.028 0.000 2.043 198 L HA -0.101 4.280 4.340 0.069 0.000 0.212 198 L C 1.069 177.988 176.870 0.081 0.000 1.075 198 L CA 1.361 56.232 54.840 0.053 0.000 0.752 198 L CB -0.159 41.937 42.059 0.061 0.000 0.891 198 L HN 0.050 nan 8.230 nan 0.000 0.432 199 L N -1.545 119.718 121.223 0.068 0.000 2.319 199 L HA 0.322 4.703 4.340 0.069 0.000 0.267 199 L C 0.427 177.317 176.870 0.033 0.000 1.011 199 L CA -0.801 54.076 54.840 0.062 0.000 0.818 199 L CB 1.844 43.942 42.059 0.065 0.000 1.316 199 L HN 0.039 nan 8.230 nan 0.000 0.432 200 T N -1.876 112.692 114.554 0.023 0.000 2.813 200 T HA 0.133 4.524 4.350 0.069 0.000 0.297 200 T C 1.265 175.963 174.700 -0.004 0.000 1.036 200 T CA -0.724 61.381 62.100 0.008 0.000 1.044 200 T CB 0.825 69.695 68.868 0.004 0.000 0.993 200 T HN 0.347 nan 8.240 nan 0.000 0.535 201 L N 0.966 122.182 121.223 -0.012 0.000 2.131 201 L HA -0.048 4.333 4.340 0.069 0.000 0.210 201 L C 3.018 179.867 176.870 -0.036 0.000 1.092 201 L CA 2.203 57.030 54.840 -0.022 0.000 0.759 201 L CB -2.067 39.978 42.059 -0.023 0.000 0.903 201 L HN 1.003 nan 8.230 nan 0.000 0.435 202 A N -0.962 121.835 122.820 -0.038 0.000 1.902 202 A HA -0.175 4.186 4.320 0.069 0.000 0.217 202 A C 2.562 180.095 177.584 -0.085 0.000 1.181 202 A CA 1.997 53.999 52.037 -0.058 0.000 0.623 202 A CB -0.477 18.495 19.000 -0.047 0.000 0.818 202 A HN 0.424 nan 8.150 nan 0.000 0.443 203 S N -1.069 114.596 115.700 -0.059 0.000 2.371 203 S HA -0.109 4.402 4.470 0.069 0.000 0.224 203 S C 2.102 176.661 174.600 -0.069 0.000 1.029 203 S CA 1.030 59.191 58.200 -0.066 0.000 0.978 203 S CB -0.341 62.852 63.200 -0.012 0.000 0.833 203 S HN 0.651 nan 8.310 nan 0.000 0.466 204 R N 1.162 121.642 120.500 -0.033 0.000 2.094 204 R HA -0.208 4.174 4.340 0.069 0.000 0.239 204 R C 2.364 178.636 176.300 -0.046 0.000 1.137 204 R CA 1.931 58.021 56.100 -0.016 0.000 0.943 204 R CB -0.395 29.901 30.300 -0.006 0.000 0.850 204 R HN 0.248 nan 8.270 nan 0.000 0.433 205 Q N 0.426 120.184 119.800 -0.071 0.000 2.167 205 Q HA -0.199 4.182 4.340 0.069 0.000 0.202 205 Q C 1.941 177.831 176.000 -0.184 0.000 0.970 205 Q CA 1.968 57.719 55.803 -0.087 0.000 0.855 205 Q CB -0.150 28.542 28.738 -0.077 0.000 0.911 205 Q HN 0.366 nan 8.270 nan 0.000 0.438 206 Q N -0.484 119.141 119.800 -0.291 0.000 2.084 206 Q HA -0.125 4.257 4.340 0.069 0.000 0.202 206 Q C 1.775 177.345 176.000 -0.717 0.000 0.978 206 Q CA 1.453 56.888 55.803 -0.613 0.000 0.844 206 Q CB -0.534 27.779 28.738 -0.707 0.000 0.898 206 Q HN 0.456 nan 8.270 nan 0.000 0.426 207 L N -0.126 120.907 121.223 -0.318 0.000 2.017 207 L HA -0.072 4.309 4.340 0.069 0.000 0.208 207 L C 2.083 178.983 176.870 0.050 0.000 1.073 207 L CA 1.692 56.534 54.840 0.004 0.000 0.745 207 L CB -0.618 41.499 42.059 0.097 0.000 0.894 207 L HN 0.394 nan 8.230 nan 0.000 0.432 208 I N -0.327 120.251 120.570 0.013 0.000 2.163 208 I HA -0.318 3.893 4.170 0.069 0.000 0.243 208 I C 2.075 178.218 176.117 0.044 0.000 1.085 208 I CA 1.477 62.826 61.300 0.082 0.000 1.347 208 I CB -0.581 37.500 38.000 0.135 0.000 1.044 208 I HN 0.300 nan 8.210 nan 0.000 0.408 209 D N 0.077 120.441 120.400 -0.060 0.000 2.123 209 D HA -0.212 4.469 4.640 0.069 0.000 0.196 209 D C 1.955 178.264 176.300 0.015 0.000 0.992 209 D CA 1.172 55.126 54.000 -0.078 0.000 0.833 209 D CB -0.273 40.405 40.800 -0.205 0.000 0.954 209 D HN 0.385 nan 8.370 nan 0.000 0.455 210 W N 0.630 121.926 121.300 -0.007 0.000 2.363 210 W HA 0.028 4.728 4.660 0.068 0.000 0.296 210 W C 2.304 178.804 176.519 -0.032 0.000 1.212 210 W CA 0.435 57.766 57.345 -0.022 0.000 1.260 210 W CB -0.805 28.639 29.460 -0.027 0.000 1.131 210 W HN 0.092 nan 8.180 nan 0.000 0.530 211 M N -0.540 119.180 119.600 0.199 0.000 2.419 211 M HA -0.101 4.421 4.480 0.069 0.000 0.264 211 M C 1.693 177.993 176.300 0.001 0.000 1.082 211 M CA 1.278 56.631 55.300 0.088 0.000 1.119 211 M CB -0.383 32.265 32.600 0.080 0.000 1.398 211 M HN -0.049 nan 8.290 nan 0.000 0.453 212 E N 0.717 120.902 120.200 -0.025 0.000 2.230 212 E HA 0.081 4.472 4.350 0.069 0.000 0.192 212 E C 0.657 177.219 176.600 -0.062 0.000 0.987 212 E CA -0.080 56.247 56.400 -0.121 0.000 0.841 212 E CB 0.176 29.784 29.700 -0.154 0.000 0.783 212 E HN 0.405 nan 8.360 nan 0.000 0.481 213 A N 1.932 124.756 122.820 0.007 0.000 2.587 213 A HA -0.107 4.255 4.320 0.069 0.000 0.233 213 A C 0.101 177.683 177.584 -0.003 0.000 1.049 213 A CA 0.460 52.509 52.037 0.020 0.000 0.754 213 A CB 0.199 19.239 19.000 0.067 0.000 0.977 213 A HN 0.035 nan 8.150 nan 0.000 0.509 214 D N 1.547 121.943 120.400 -0.006 0.000 2.473 214 D HA 0.362 5.044 4.640 0.069 0.000 0.226 214 D C 0.199 176.499 176.300 -0.001 0.000 1.089 214 D CA -0.274 53.718 54.000 -0.013 0.000 0.883 214 D CB 0.639 41.426 40.800 -0.022 0.000 1.029 214 D HN 0.461 nan 8.370 nan 0.000 0.517 215 K N 1.922 122.323 120.400 0.003 0.000 2.703 215 K HA 0.108 4.470 4.320 0.069 0.000 0.196 215 K C 1.428 178.036 176.600 0.012 0.000 1.457 215 K CA 0.244 56.538 56.287 0.013 0.000 1.115 215 K CB 0.322 32.836 32.500 0.023 0.000 1.661 215 K HN 0.223 nan 8.250 nan 0.000 0.552 216 V N 1.218 121.136 119.914 0.007 0.000 2.484 216 V HA 0.144 4.306 4.120 0.069 0.000 0.236 216 V C 1.792 177.879 176.094 -0.012 0.000 1.062 216 V CA 1.414 63.715 62.300 0.002 0.000 1.081 216 V CB -0.454 31.371 31.823 0.004 0.000 0.751 216 V HN 0.210 nan 8.190 nan 0.000 0.484 217 A N 1.067 123.877 122.820 -0.017 0.000 2.265 217 A HA 0.058 4.419 4.320 0.069 0.000 0.203 217 A C 2.127 179.695 177.584 -0.027 0.000 1.285 217 A CA 1.112 53.135 52.037 -0.024 0.000 0.839 217 A CB -1.439 17.545 19.000 -0.027 0.000 0.758 217 A HN 0.569 nan 8.150 nan 0.000 0.502 218 G N 1.905 110.692 108.800 -0.023 0.000 2.802 218 G HA2 -0.302 3.699 3.960 0.069 0.000 0.222 218 G HA3 -0.302 3.699 3.960 0.069 0.000 0.222 218 G C 0.013 174.895 174.900 -0.030 0.000 1.248 218 G CA 1.368 46.454 45.100 -0.025 0.000 0.787 218 G HN 0.595 nan 8.290 nan 0.000 0.643 219 P HA 0.170 nan 4.420 nan 0.000 0.249 219 P C 0.975 178.254 177.300 -0.035 0.000 1.241 219 P CA 0.289 63.370 63.100 -0.032 0.000 0.781 219 P CB 0.009 31.692 31.700 -0.028 0.000 1.088 220 L N -1.014 120.188 121.223 -0.035 0.000 2.600 220 L HA 0.210 4.591 4.340 0.069 0.000 0.179 220 L C 2.506 179.353 176.870 -0.039 0.000 1.609 220 L CA -0.542 54.276 54.840 -0.036 0.000 3.107 220 L CB -1.060 40.979 42.059 -0.034 0.000 2.940 220 L HN -0.245 nan 8.230 nan 0.000 0.916 221 L N -0.276 120.927 121.223 -0.032 0.000 2.131 221 L HA -0.130 4.251 4.340 0.069 0.000 0.210 221 L C 2.777 179.617 176.870 -0.051 0.000 1.092 221 L CA 1.135 55.957 54.840 -0.030 0.000 0.759 221 L CB -0.542 41.517 42.059 0.000 0.000 0.903 221 L HN 0.397 nan 8.230 nan 0.000 0.435 222 R N 0.186 120.656 120.500 -0.049 0.000 2.105 222 R HA -0.163 4.218 4.340 0.069 0.000 0.239 222 R C 2.608 178.863 176.300 -0.075 0.000 1.135 222 R CA 1.695 57.759 56.100 -0.060 0.000 0.967 222 R CB -0.475 29.795 30.300 -0.051 0.000 0.861 222 R HN 0.475 nan 8.270 nan 0.000 0.442 223 S N 0.082 115.741 115.700 -0.068 0.000 2.442 223 S HA -0.073 4.438 4.470 0.069 0.000 0.236 223 S C 1.847 176.388 174.600 -0.098 0.000 1.007 223 S CA 1.051 59.207 58.200 -0.073 0.000 0.965 223 S CB 0.101 63.265 63.200 -0.059 0.000 0.773 223 S HN 0.363 nan 8.310 nan 0.000 0.504 224 A N 0.019 122.769 122.820 -0.116 0.000 2.348 224 A HA 0.547 4.908 4.320 0.069 0.000 0.224 224 A C 0.551 177.982 177.584 -0.254 0.000 1.227 224 A CA -0.417 51.525 52.037 -0.158 0.000 0.885 224 A CB -0.182 18.739 19.000 -0.131 0.000 0.933 224 A HN 0.481 nan 8.150 nan 0.000 0.506 225 L N 1.836 122.911 121.223 -0.247 0.000 2.360 225 L HA 0.379 4.761 4.340 0.069 0.000 0.276 225 L C -2.341 174.274 176.870 -0.425 0.000 1.121 225 L CA -1.578 53.041 54.840 -0.369 0.000 0.845 225 L CB 0.464 42.413 42.059 -0.183 0.000 1.143 225 L HN 0.032 nan 8.230 nan 0.000 0.452 226 P HA 0.252 nan 4.420 nan 0.000 0.274 226 P C -1.172 176.009 177.300 -0.199 0.000 1.246 226 P CA -0.524 62.253 63.100 -0.537 0.000 0.795 226 P CB 0.513 31.745 31.700 -0.780 0.000 1.006 227 A N 1.013 123.807 122.820 -0.043 0.000 2.511 227 A HA 0.429 4.790 4.320 0.069 0.000 0.242 227 A C 1.439 179.136 177.584 0.189 0.000 1.069 227 A CA 0.713 52.783 52.037 0.056 0.000 0.763 227 A CB -1.414 17.602 19.000 0.027 0.000 1.001 227 A HN 0.882 nan 8.150 nan 0.000 0.498 228 G N 0.452 109.346 108.800 0.157 0.000 2.176 228 G HA2 -0.240 3.761 3.960 0.069 0.000 0.253 228 G HA3 -0.240 3.761 3.960 0.069 0.000 0.253 228 G C -0.044 174.967 174.900 0.185 0.000 0.979 228 G CA 0.358 45.545 45.100 0.146 0.000 0.641 228 G HN 0.745 nan 8.290 nan 0.000 0.530 229 W N 0.217 121.490 121.300 -0.044 0.000 2.237 229 W HA 0.697 5.395 4.660 0.062 0.000 0.335 229 W C 0.512 177.054 176.519 0.040 0.000 1.230 229 W CA -1.034 56.287 57.345 -0.040 0.000 1.253 229 W CB 0.292 29.676 29.460 -0.126 0.000 1.129 229 W HN 0.128 nan 8.180 nan 0.000 0.590 230 F N 4.481 124.471 119.950 0.067 0.000 2.397 230 F HA 0.677 5.245 4.527 0.068 0.000 0.331 230 F C -0.760 175.090 175.800 0.083 0.000 1.090 230 F CA -1.414 56.612 58.000 0.043 0.000 1.065 230 F CB 0.548 39.539 39.000 -0.015 0.000 1.184 230 F HN 0.176 nan 8.300 nan 0.000 0.499 231 I N 4.686 124.923 120.570 -0.555 0.000 2.649 231 I HA 0.611 4.822 4.170 0.069 0.000 0.289 231 I C -1.830 173.928 176.117 -0.599 0.000 1.222 231 I CA -0.490 60.601 61.300 -0.349 0.000 1.046 231 I CB 1.550 39.499 38.000 -0.085 0.000 1.272 231 I HN 0.833 nan 8.210 nan 0.000 0.425 232 A N 5.910 128.531 122.820 -0.332 0.000 2.311 232 A HA 0.792 5.153 4.320 0.069 0.000 0.306 232 A C -1.417 176.152 177.584 -0.025 0.000 1.189 232 A CA -0.378 51.554 52.037 -0.175 0.000 0.791 232 A CB 0.739 19.755 19.000 0.025 0.000 1.172 232 A HN 0.706 nan 8.150 nan 0.000 0.481 233 D N 1.056 121.439 120.400 -0.029 0.000 2.610 233 D HA 0.730 5.411 4.640 0.069 0.000 0.271 233 D C -1.005 175.293 176.300 -0.002 0.000 1.174 233 D CA -0.695 53.302 54.000 -0.005 0.000 0.949 233 D CB 1.392 42.182 40.800 -0.018 0.000 1.430 233 D HN 0.260 nan 8.370 nan 0.000 0.467 234 K N -0.103 120.293 120.400 -0.006 0.000 2.588 234 K HA 0.510 4.871 4.320 0.069 0.000 0.250 234 K C -1.431 175.158 176.600 -0.018 0.000 0.972 234 K CA -0.333 55.949 56.287 -0.010 0.000 0.821 234 K CB 1.471 33.967 32.500 -0.006 0.000 1.249 234 K HN 0.612 nan 8.250 nan 0.000 0.442 235 S N 1.480 117.170 115.700 -0.017 0.000 2.681 235 S HA 0.959 5.470 4.470 0.069 0.000 0.299 235 S C 0.017 174.622 174.600 0.008 0.000 1.113 235 S CA -0.424 57.765 58.200 -0.018 0.000 1.013 235 S CB 1.765 64.950 63.200 -0.025 0.000 1.076 235 S HN 0.806 nan 8.310 nan 0.000 0.534 236 G N -0.775 108.041 108.800 0.027 0.000 2.704 236 G HA2 0.762 4.763 3.960 0.069 0.000 0.293 236 G HA3 0.762 4.763 3.960 0.069 0.000 0.293 236 G C -1.495 173.438 174.900 0.056 0.000 1.421 236 G CA -0.485 44.648 45.100 0.055 0.000 0.870 236 G HN 1.292 nan 8.290 nan 0.000 0.492 237 A N -0.526 122.320 122.820 0.044 0.000 2.455 237 A HA 0.990 5.351 4.320 0.069 0.000 0.300 237 A C 0.053 177.665 177.584 0.045 0.000 1.040 237 A CA 0.050 52.110 52.037 0.038 0.000 0.697 237 A CB 1.877 20.876 19.000 -0.001 0.000 1.265 237 A HN 1.968 nan 8.150 nan 0.000 0.407 241 R N 0.052 120.572 120.500 0.034 0.000 3.516 241 R HA -0.256 4.125 4.340 0.069 0.000 0.271 241 R C 0.657 176.986 176.300 0.048 0.000 1.098 241 R CA 0.836 56.958 56.100 0.036 0.000 0.732 241 R CB -2.051 28.269 30.300 0.032 0.000 1.152 241 R HN 1.049 nan 8.270 nan 0.000 0.455 242 G N -0.573 108.255 108.800 0.047 0.000 2.168 242 G HA2 -0.405 3.596 3.960 0.069 0.000 0.263 242 G HA3 -0.405 3.596 3.960 0.069 0.000 0.263 242 G C 0.173 175.119 174.900 0.078 0.000 0.977 242 G CA 0.454 45.587 45.100 0.055 0.000 0.659 242 G HN 0.904 nan 8.290 nan 0.000 0.533 243 S N -0.729 115.023 115.700 0.087 0.000 2.537 243 S HA 0.651 5.163 4.470 0.069 0.000 0.286 243 S C 0.098 174.768 174.600 0.117 0.000 1.299 243 S CA 0.408 58.681 58.200 0.123 0.000 1.067 243 S CB 2.126 65.396 63.200 0.117 0.000 0.864 243 S HN 0.978 nan 8.310 nan 0.000 0.494 244 R N 0.913 121.502 120.500 0.148 0.000 2.643 244 R HA 0.726 5.107 4.340 0.069 0.000 0.269 244 R C -0.600 175.788 176.300 0.147 0.000 1.037 244 R CA 0.246 56.413 56.100 0.111 0.000 0.894 244 R CB 1.835 32.171 30.300 0.061 0.000 1.238 244 R HN 1.128 nan 8.270 nan 0.000 0.459 245 G N 2.134 110.981 108.800 0.077 0.000 2.632 245 G HA2 0.580 4.581 3.960 0.069 0.000 0.292 245 G HA3 0.580 4.581 3.960 0.069 0.000 0.292 245 G C -1.903 172.890 174.900 -0.178 0.000 1.465 245 G CA -0.496 44.550 45.100 -0.089 0.000 0.824 245 G HN 0.650 nan 8.290 nan 0.000 0.509 246 I N 0.636 120.998 120.570 -0.347 0.000 2.752 246 I HA 0.706 4.917 4.170 0.069 0.000 0.295 246 I C -1.147 174.818 176.117 -0.254 0.000 1.219 246 I CA -1.462 59.714 61.300 -0.206 0.000 1.030 246 I CB 2.167 40.100 38.000 -0.113 0.000 1.259 246 I HN 0.699 nan 8.210 nan 0.000 0.423 247 I N 4.586 125.075 120.570 -0.135 0.000 2.569 247 I HA 0.993 5.205 4.170 0.069 0.000 0.296 247 I C -0.989 175.118 176.117 -0.016 0.000 1.028 247 I CA -0.425 60.826 61.300 -0.082 0.000 1.082 247 I CB 1.895 39.880 38.000 -0.025 0.000 1.264 247 I HN 0.670 nan 8.210 nan 0.000 0.429 248 A N 4.090 126.920 122.820 0.016 0.000 2.604 248 A HA 0.898 5.260 4.320 0.069 0.000 0.295 248 A C -1.332 176.321 177.584 0.114 0.000 1.067 248 A CA -0.476 51.598 52.037 0.062 0.000 0.683 248 A CB 1.673 20.710 19.000 0.061 0.000 1.281 248 A HN 1.311 nan 8.150 nan 0.000 0.407 249 A N 1.404 124.325 122.820 0.168 0.000 2.304 249 A HA 0.790 5.152 4.320 0.069 0.000 0.314 249 A C -0.481 177.314 177.584 0.352 0.000 1.187 249 A CA -0.300 51.882 52.037 0.242 0.000 0.810 249 A CB 0.249 19.409 19.000 0.265 0.000 1.183 249 A HN 2.132 nan 8.150 nan 0.000 0.487 250 L N 0.353 121.799 121.223 0.371 0.000 2.479 250 L HA 1.092 5.473 4.340 0.069 0.000 0.255 250 L C -0.238 176.854 176.870 0.371 0.000 1.026 250 L CA -0.650 54.443 54.840 0.423 0.000 0.842 250 L CB 2.136 44.401 42.059 0.342 0.000 1.444 250 L HN 1.225 nan 8.230 nan 0.000 0.409 251 G N 0.097 109.009 108.800 0.187 0.000 2.387 251 G HA2 0.498 4.500 3.960 0.069 0.000 0.294 251 G HA3 0.498 4.500 3.960 0.069 0.000 0.294 251 G C -3.438 170.949 174.900 -0.855 0.000 1.509 251 G CA -0.614 44.313 45.100 -0.288 0.000 0.806 251 G HN 0.556 nan 8.290 nan 0.000 0.546 255 G N 1.736 110.505 108.800 -0.052 0.000 2.258 255 G HA2 -0.333 3.668 3.960 0.069 0.000 0.274 255 G HA3 -0.333 3.668 3.960 0.069 0.000 0.274 255 G C 0.306 175.169 174.900 -0.062 0.000 1.021 255 G CA 0.937 46.080 45.100 0.071 0.000 0.798 255 G HN 0.324 nan 8.290 nan 0.000 0.507 256 K N 0.424 120.700 120.400 -0.207 0.000 2.507 256 K HA 0.478 4.840 4.320 0.069 0.000 0.251 256 K C -2.683 173.673 176.600 -0.407 0.000 0.943 256 K CA -2.219 53.819 56.287 -0.414 0.000 0.794 256 K CB 2.896 35.240 32.500 -0.260 0.000 1.188 256 K HN 0.001 nan 8.250 nan 0.000 0.428 257 P HA 0.086 nan 4.420 nan 0.000 0.278 257 P C -0.323 176.937 177.300 -0.066 0.000 1.238 257 P CA -0.194 62.789 63.100 -0.195 0.000 0.794 257 P CB 1.455 33.049 31.700 -0.176 0.000 0.955 258 S N 1.425 117.187 115.700 0.102 0.000 2.744 258 S HA 0.273 4.785 4.470 0.069 0.000 0.265 258 S C 0.472 175.146 174.600 0.123 0.000 1.065 258 S CA -0.486 57.776 58.200 0.103 0.000 1.191 258 S CB 0.349 63.627 63.200 0.130 0.000 1.150 258 S HN 0.417 nan 8.310 nan 0.000 0.646 259 R N 0.120 120.747 120.500 0.213 0.000 2.740 259 R HA 0.618 4.999 4.340 0.069 0.000 0.273 259 R C -1.642 174.754 176.300 0.160 0.000 0.998 259 R CA -0.647 55.534 56.100 0.134 0.000 0.900 259 R CB 1.705 32.051 30.300 0.075 0.000 1.223 259 R HN 0.193 nan 8.270 nan 0.000 0.466 260 I N 1.911 122.527 120.570 0.077 0.000 2.441 260 I HA 0.432 4.644 4.170 0.069 0.000 0.295 260 I C -0.610 175.522 176.117 0.026 0.000 0.994 260 I CA -1.043 60.297 61.300 0.068 0.000 1.144 260 I CB 2.155 40.175 38.000 0.034 0.000 1.314 260 I HN 0.176 nan 8.210 nan 0.000 0.445 261 V N 6.880 126.816 119.914 0.037 0.000 2.656 261 V HA 0.498 4.659 4.120 0.069 0.000 0.307 261 V C -0.458 175.599 176.094 -0.061 0.000 1.051 261 V CA -0.634 61.653 62.300 -0.021 0.000 0.893 261 V CB 2.472 34.353 31.823 0.097 0.000 0.999 261 V HN 0.388 nan 8.190 nan 0.000 0.426 262 V N 6.107 125.934 119.914 -0.145 0.000 2.577 262 V HA 0.594 4.755 4.120 0.069 0.000 0.303 262 V C -0.647 175.329 176.094 -0.197 0.000 1.042 262 V CA -0.338 61.853 62.300 -0.182 0.000 0.872 262 V CB 1.962 33.716 31.823 -0.116 0.000 0.998 262 V HN 0.714 nan 8.190 nan 0.000 0.423 263 I N 4.924 125.312 120.570 -0.304 0.000 2.533 263 I HA 0.596 4.807 4.170 0.069 0.000 0.290 263 I C -1.464 174.364 176.117 -0.482 0.000 1.056 263 I CA -0.597 60.576 61.300 -0.212 0.000 1.057 263 I CB 2.274 40.240 38.000 -0.057 0.000 1.240 263 I HN 0.472 nan 8.210 nan 0.000 0.423 264 Y N 2.631 122.754 120.300 -0.294 0.000 2.553 264 Y HA 0.676 5.268 4.550 0.069 0.000 0.347 264 Y C 0.052 175.690 175.900 -0.437 0.000 1.019 264 Y CA -0.768 57.094 58.100 -0.396 0.000 1.032 264 Y CB 2.553 40.611 38.460 -0.670 0.000 1.284 264 Y HN 0.431 nan 8.280 nan 0.000 0.466 265 T N 0.656 115.261 114.554 0.086 0.000 2.932 265 T HA 0.633 5.025 4.350 0.069 0.000 0.318 265 T C -1.511 173.375 174.700 0.310 0.000 1.265 265 T CA -0.335 61.893 62.100 0.213 0.000 1.036 265 T CB 1.607 70.550 68.868 0.124 0.000 1.209 265 T HN 0.735 nan 8.240 nan 0.000 0.484 266 T N 1.080 115.842 114.554 0.347 0.000 2.853 266 T HA 0.618 5.009 4.350 0.069 0.000 0.311 266 T C 0.815 175.604 174.700 0.149 0.000 1.307 266 T CA 0.993 63.226 62.100 0.222 0.000 1.019 266 T CB 0.890 69.885 68.868 0.211 0.000 1.264 266 T HN 1.859 nan 8.240 nan 0.000 0.497 267 G N 1.723 110.581 108.800 0.096 0.000 2.213 267 G HA2 -0.208 3.794 3.960 0.069 0.000 0.236 267 G HA3 -0.208 3.794 3.960 0.069 0.000 0.236 267 G C 0.433 175.369 174.900 0.060 0.000 0.991 267 G CA 0.562 45.702 45.100 0.067 0.000 0.629 267 G HN 1.189 nan 8.290 nan 0.000 0.517 268 S N -0.170 115.571 115.700 0.068 0.000 2.576 268 S HA 0.485 4.996 4.470 0.069 0.000 0.276 268 S C 1.203 175.827 174.600 0.040 0.000 1.339 268 S CA 0.627 58.859 58.200 0.053 0.000 1.039 268 S CB 1.045 64.277 63.200 0.054 0.000 0.902 268 S HN 0.418 nan 8.310 nan 0.000 0.516 269 Q N 1.769 121.588 119.800 0.031 0.000 2.247 269 Q HA 0.321 4.702 4.340 0.069 0.000 0.204 269 Q C 0.465 176.477 176.000 0.020 0.000 0.872 269 Q CA -0.266 55.551 55.803 0.024 0.000 0.951 269 Q CB 0.539 29.289 28.738 0.020 0.000 1.099 269 Q HN 0.749 nan 8.270 nan 0.000 0.501 270 A N 1.366 124.199 122.820 0.021 0.000 2.366 270 A HA 0.292 4.653 4.320 0.069 0.000 0.249 270 A C 0.700 178.291 177.584 0.012 0.000 1.084 270 A CA -0.302 51.743 52.037 0.015 0.000 0.794 270 A CB 0.186 19.194 19.000 0.014 0.000 1.034 270 A HN 0.309 nan 8.150 nan 0.000 0.491 271 T N -0.204 114.355 114.554 0.007 0.000 2.795 271 T HA 0.214 4.605 4.350 0.069 0.000 0.314 271 T C 1.277 175.978 174.700 0.003 0.000 1.069 271 T CA 0.328 62.431 62.100 0.004 0.000 1.071 271 T CB 0.147 69.016 68.868 0.001 0.000 0.988 271 T HN 0.504 nan 8.240 nan 0.000 0.543 272 M N 0.538 120.138 119.600 -0.000 0.000 2.117 272 M HA -0.109 4.412 4.480 0.069 0.000 0.262 272 M C 1.862 178.158 176.300 -0.007 0.000 1.065 272 M CA 1.700 56.997 55.300 -0.004 0.000 1.114 272 M CB -0.545 32.048 32.600 -0.010 0.000 1.361 272 M HN 0.673 nan 8.290 nan 0.000 0.408 273 D N 0.373 120.768 120.400 -0.008 0.000 2.144 273 D HA -0.142 4.539 4.640 0.069 0.000 0.199 273 D C 1.820 178.114 176.300 -0.011 0.000 0.984 273 D CA 1.281 55.274 54.000 -0.011 0.000 0.834 273 D CB -0.241 40.553 40.800 -0.011 0.000 0.955 273 D HN 0.481 nan 8.370 nan 0.000 0.465 274 E N 0.374 120.569 120.200 -0.008 0.000 2.072 274 E HA -0.090 4.302 4.350 0.069 0.000 0.191 274 E C 2.254 178.849 176.600 -0.009 0.000 0.985 274 E CA 0.539 56.934 56.400 -0.008 0.000 0.801 274 E CB 0.090 29.788 29.700 -0.003 0.000 0.750 274 E HN 0.167 nan 8.360 nan 0.000 0.452 275 R N 0.629 121.127 120.500 -0.004 0.000 2.096 275 R HA -0.079 4.303 4.340 0.069 0.000 0.235 275 R C 2.064 178.357 176.300 -0.012 0.000 1.127 275 R CA 1.153 57.252 56.100 -0.002 0.000 0.968 275 R CB -0.115 30.190 30.300 0.009 0.000 0.861 275 R HN 0.119 nan 8.270 nan 0.000 0.440 276 N N 0.615 119.306 118.700 -0.015 0.000 2.120 276 N HA -0.138 4.643 4.740 0.069 0.000 0.188 276 N C 1.660 177.154 175.510 -0.028 0.000 1.024 276 N CA 1.202 54.239 53.050 -0.022 0.000 0.852 276 N CB -0.200 38.274 38.487 -0.022 0.000 1.003 276 N HN 0.194 nan 8.380 nan 0.000 0.424 277 R N 0.545 121.029 120.500 -0.027 0.000 2.081 277 R HA -0.053 4.329 4.340 0.069 0.000 0.235 277 R C 1.953 178.230 176.300 -0.038 0.000 1.131 277 R CA 0.980 57.061 56.100 -0.032 0.000 0.960 277 R CB -0.070 30.214 30.300 -0.027 0.000 0.856 277 R HN 0.302 nan 8.270 nan 0.000 0.436 278 Q N 0.496 120.274 119.800 -0.037 0.000 2.084 278 Q HA -0.098 4.283 4.340 0.069 0.000 0.202 278 Q C 2.191 178.155 176.000 -0.060 0.000 0.978 278 Q CA 1.297 57.071 55.803 -0.049 0.000 0.844 278 Q CB -0.192 28.520 28.738 -0.043 0.000 0.898 278 Q HN 0.423 nan 8.270 nan 0.000 0.426 279 I N 0.527 121.067 120.570 -0.050 0.000 2.286 279 I HA -0.266 3.945 4.170 0.069 0.000 0.248 279 I C 2.243 178.331 176.117 -0.049 0.000 1.115 279 I CA 1.002 62.272 61.300 -0.051 0.000 1.392 279 I CB -0.346 37.629 38.000 -0.041 0.000 1.065 279 I HN 0.072 nan 8.210 nan 0.000 0.418 280 A N 0.232 123.023 122.820 -0.047 0.000 1.902 280 A HA -0.190 4.172 4.320 0.069 0.000 0.217 280 A C 2.215 179.765 177.584 -0.057 0.000 1.181 280 A CA 1.406 53.413 52.037 -0.049 0.000 0.623 280 A CB -0.389 18.582 19.000 -0.048 0.000 0.818 280 A HN 0.314 nan 8.150 nan 0.000 0.443 281 E N -0.056 120.108 120.200 -0.060 0.000 2.153 281 E HA -0.129 4.263 4.350 0.069 0.000 0.194 281 E C 1.936 178.490 176.600 -0.076 0.000 0.988 281 E CA 0.893 57.254 56.400 -0.065 0.000 0.811 281 E CB -0.347 29.315 29.700 -0.064 0.000 0.746 281 E HN 0.744 nan 8.360 nan 0.000 0.466 282 I N 0.464 120.976 120.570 -0.096 0.000 2.252 282 I HA -0.174 4.037 4.170 0.069 0.000 0.245 282 I C 2.471 178.549 176.117 -0.065 0.000 1.102 282 I CA 1.219 62.437 61.300 -0.137 0.000 1.385 282 I CB -0.504 37.377 38.000 -0.198 0.000 1.064 282 I HN 0.106 nan 8.210 nan 0.000 0.414 283 G N 0.536 109.317 108.800 -0.030 0.000 2.418 283 G HA2 -0.259 3.743 3.960 0.069 0.000 0.217 283 G HA3 -0.259 3.743 3.960 0.069 0.000 0.217 283 G C 1.874 176.760 174.900 -0.022 0.000 1.158 283 G CA 0.830 45.933 45.100 0.005 0.000 0.771 283 G HN 0.486 nan 8.290 nan 0.000 0.545 284 A N 0.513 123.300 122.820 -0.056 0.000 1.940 284 A HA -0.070 4.291 4.320 0.069 0.000 0.219 284 A C 2.645 180.199 177.584 -0.050 0.000 1.176 284 A CA 2.465 54.455 52.037 -0.078 0.000 0.631 284 A CB -0.807 18.146 19.000 -0.078 0.000 0.814 284 A HN 0.442 nan 8.150 nan 0.000 0.446 285 S N -0.565 115.129 115.700 -0.010 0.000 2.355 285 S HA -0.111 4.400 4.470 0.069 0.000 0.222 285 S C 2.003 176.689 174.600 0.143 0.000 1.031 285 S CA 1.248 59.485 58.200 0.061 0.000 0.993 285 S CB -0.442 62.788 63.200 0.050 0.000 0.859 285 S HN 0.568 nan 8.310 nan 0.000 0.453 286 L N 1.452 122.764 121.223 0.148 0.000 2.043 286 L HA -0.087 4.295 4.340 0.069 0.000 0.212 286 L C 1.981 179.074 176.870 0.372 0.000 1.075 286 L CA 2.024 57.031 54.840 0.278 0.000 0.752 286 L CB -1.283 40.965 42.059 0.314 0.000 0.891 286 L HN 0.332 nan 8.230 nan 0.000 0.432 287 I N 0.593 121.272 120.570 0.180 0.000 2.286 287 I HA -0.247 3.964 4.170 0.069 0.000 0.245 287 I C 2.637 178.776 176.117 0.036 0.000 1.104 287 I CA 1.247 62.566 61.300 0.030 0.000 1.397 287 I CB -1.036 36.775 38.000 -0.315 0.000 1.072 287 I HN 0.395 nan 8.210 nan 0.000 0.417 288 K N 0.254 120.611 120.400 -0.071 0.000 2.057 288 K HA -0.189 4.172 4.320 0.069 0.000 0.207 288 K C 1.463 177.880 176.600 -0.306 0.000 1.049 288 K CA 1.347 57.492 56.287 -0.236 0.000 0.931 288 K CB -0.016 32.259 32.500 -0.374 0.000 0.714 288 K HN 0.401 nan 8.250 nan 0.000 0.440 289 H N -0.953 118.163 119.070 0.076 0.000 2.507 289 H HA -0.014 4.582 4.556 0.066 0.000 0.294 289 H C 0.309 175.745 175.328 0.180 0.000 1.064 289 H CA -0.360 55.710 56.048 0.037 0.000 1.138 289 H CB -0.241 29.453 29.762 -0.113 0.000 1.515 289 H HN 0.319 nan 8.280 nan 0.000 0.547 290 W N 0.000 121.381 121.300 0.135 0.000 2.388 290 W HA 0.000 4.703 4.660 0.071 0.000 0.303 290 W CA 0.000 57.461 57.345 0.193 0.000 1.226 290 W CB 0.000 29.640 29.460 0.300 0.000 1.126 290 W HN 0.000 nan 8.180 nan 0.000 0.535