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 2osx_1_A DATA FIRST_RESID 42 DATA SEQUENCE TPSYLKDDDG RSLILRGFNT ASSAKSAPDG MPQFTEADLA REYADMGTNF DATA SEQUENCE VRFLISWRSV EPAPGVYDQQ YLDRVEDRVG WYAERGYKVM LDMHQDVYSG DATA SEQUENCE AITPEGNSGN GAGAIGNGAP AWATYMDGLP VEPQPRWELY YIQPGVMRAF DATA SEQUENCE DNFWNTTGKH PELVEHYAKA WRAVADRFAD NDAVVAYDLM NEPFGGSLQG DATA SEQUENCE PAFEAGPLAA MYQRTTDAIR QVDQDTWVCV APQAIGVNQG LPSGLTKIDD DATA SEQUENCE PRAGQQRIAY CPHLYPLPLD IGDGHEGLAR TLTDVTIDAW RANTAHTARV DATA SEQUENCE LGDVPIILGS FGLDTTLPGA RDYIERVYGT AREMGAGVSY WSSDPGPWGP DATA SEQUENCE YLPDGTQTLL VDTLNKPYPR AVAGTPTEWS STSDRLQLTI EPDAAITAPT DATA SEQUENCE EIYLPEAGFP GDVHVEGADV VGWDRQSRLL TVRTPADSGN VTVTVTPAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 42 T HA 0.000 nan 4.350 nan 0.000 0.228 42 T C 0.000 174.701 174.700 0.001 0.000 1.109 42 T CA 0.000 62.111 62.100 0.018 0.000 1.349 42 T CB 0.000 68.897 68.868 0.048 0.000 0.612 43 P HA 0.520 nan 4.420 nan 0.000 0.272 43 P C -0.463 176.753 177.300 -0.140 0.000 1.223 43 P CA -0.436 62.587 63.100 -0.128 0.000 0.784 43 P CB 0.495 32.061 31.700 -0.223 0.000 0.923 44 S N 0.481 116.033 115.700 -0.248 0.000 2.621 44 S HA 0.693 5.155 4.470 -0.014 0.000 0.302 44 S C -1.157 173.186 174.600 -0.429 0.000 1.093 44 S CA -0.689 57.419 58.200 -0.154 0.000 1.017 44 S CB 0.823 64.006 63.200 -0.028 0.000 1.077 44 S HN 0.319 nan 8.310 nan 0.000 0.517 45 Y N 0.052 120.299 120.300 -0.088 0.000 2.499 45 Y HA 0.557 5.098 4.550 -0.014 0.000 0.347 45 Y C -0.250 175.482 175.900 -0.280 0.000 0.987 45 Y CA -1.201 56.800 58.100 -0.165 0.000 1.044 45 Y CB 1.078 39.483 38.460 -0.090 0.000 1.245 45 Y HN 0.543 nan 8.280 nan 0.000 0.461 46 L N 2.978 123.988 121.223 -0.356 0.000 2.483 46 L HA 0.171 4.503 4.340 -0.014 0.000 0.276 46 L C -0.196 176.627 176.870 -0.079 0.000 1.213 46 L CA 0.431 54.968 54.840 -0.505 0.000 0.843 46 L CB 0.130 41.782 42.059 -0.678 0.000 1.107 46 L HN 0.543 nan 8.230 nan 0.000 0.487 47 K N 0.723 121.169 120.400 0.076 0.000 2.385 47 K HA 0.405 4.717 4.320 -0.014 0.000 0.248 47 K C -1.073 175.595 176.600 0.112 0.000 0.955 47 K CA -1.002 55.344 56.287 0.100 0.000 0.816 47 K CB 1.722 34.300 32.500 0.130 0.000 1.250 47 K HN 0.643 nan 8.250 nan 0.000 0.434 48 D N -0.266 120.175 120.400 0.069 0.000 2.433 48 D HA 0.028 4.659 4.640 -0.014 0.000 0.255 48 D C 0.239 176.582 176.300 0.071 0.000 1.226 48 D CA -0.230 53.812 54.000 0.069 0.000 1.015 48 D CB 0.474 41.301 40.800 0.044 0.000 1.091 48 D HN 0.327 nan 8.370 nan 0.000 0.527 49 D N -1.097 119.340 120.400 0.062 0.000 2.310 49 D HA -0.089 4.543 4.640 -0.014 0.000 0.212 49 D C 0.572 176.895 176.300 0.039 0.000 0.965 49 D CA 0.726 54.757 54.000 0.053 0.000 0.879 49 D CB -0.044 40.785 40.800 0.047 0.000 0.921 49 D HN 0.395 nan 8.370 nan 0.000 0.510 50 D N -0.655 119.764 120.400 0.032 0.000 2.340 50 D HA 0.073 4.705 4.640 -0.014 0.000 0.220 50 D C 1.530 177.842 176.300 0.019 0.000 1.039 50 D CA 0.643 54.655 54.000 0.020 0.000 0.866 50 D CB 0.749 41.556 40.800 0.011 0.000 0.913 50 D HN 0.254 nan 8.370 nan 0.000 0.523 51 G N 1.717 110.536 108.800 0.031 0.000 2.157 51 G HA2 -0.310 3.641 3.960 -0.014 0.000 0.248 51 G HA3 -0.310 3.641 3.960 -0.014 0.000 0.248 51 G C 0.352 175.262 174.900 0.016 0.000 0.979 51 G CA -0.289 44.831 45.100 0.033 0.000 0.650 51 G HN 0.272 nan 8.290 nan 0.000 0.529 52 R N 0.647 121.147 120.500 0.001 0.000 2.539 52 R HA 0.484 4.816 4.340 -0.014 0.000 0.275 52 R C 0.242 176.520 176.300 -0.036 0.000 1.077 52 R CA 0.049 56.131 56.100 -0.031 0.000 1.097 52 R CB 0.687 30.962 30.300 -0.042 0.000 1.018 52 R HN 0.197 nan 8.270 nan 0.000 0.483 53 S N 2.807 118.451 115.700 -0.093 0.000 2.523 53 S HA 0.213 4.675 4.470 -0.014 0.000 0.275 53 S C 0.044 174.564 174.600 -0.135 0.000 1.281 53 S CA -0.539 57.581 58.200 -0.133 0.000 1.050 53 S CB 0.425 63.405 63.200 -0.366 0.000 0.937 53 S HN 0.297 nan 8.310 nan 0.000 0.492 54 L N 4.143 125.345 121.223 -0.034 0.000 2.275 54 L HA 0.504 4.836 4.340 -0.014 0.000 0.288 54 L C -0.392 176.505 176.870 0.045 0.000 1.046 54 L CA -0.323 54.505 54.840 -0.020 0.000 0.805 54 L CB 0.763 42.802 42.059 -0.034 0.000 1.193 54 L HN 0.528 nan 8.230 nan 0.000 0.426 55 I N 4.997 125.587 120.570 0.033 0.000 2.328 55 I HA 0.308 4.469 4.170 -0.014 0.000 0.287 55 I C -0.490 175.694 176.117 0.112 0.000 1.012 55 I CA -0.267 61.102 61.300 0.115 0.000 1.195 55 I CB 1.152 39.217 38.000 0.107 0.000 1.350 55 I HN 0.390 nan 8.210 nan 0.000 0.464 56 L N 7.246 128.460 121.223 -0.014 0.000 2.282 56 L HA 0.586 4.918 4.340 -0.014 0.000 0.288 56 L C -0.201 176.656 176.870 -0.021 0.000 1.033 56 L CA -0.684 54.077 54.840 -0.133 0.000 0.807 56 L CB 0.867 42.506 42.059 -0.700 0.000 1.209 56 L HN 0.455 nan 8.230 nan 0.000 0.423 57 R N 2.845 123.410 120.500 0.108 0.000 2.502 57 R HA 0.747 5.078 4.340 -0.014 0.000 0.298 57 R C -0.328 176.101 176.300 0.214 0.000 1.018 57 R CA -0.521 55.622 56.100 0.070 0.000 0.899 57 R CB 1.957 32.038 30.300 -0.366 0.000 1.181 57 R HN 0.862 nan 8.270 nan 0.000 0.444 58 G N 1.541 110.494 108.800 0.256 0.000 2.588 58 G HA2 0.550 4.502 3.960 -0.014 0.000 0.281 58 G HA3 0.550 4.502 3.960 -0.014 0.000 0.281 58 G C -1.675 173.161 174.900 -0.106 0.000 1.223 58 G CA -0.398 44.817 45.100 0.192 0.000 0.871 58 G HN 0.193 nan 8.290 nan 0.000 0.492 59 F N 0.468 120.532 119.950 0.189 0.000 2.579 59 F HA 0.478 4.997 4.527 -0.013 0.000 0.324 59 F C 0.484 176.256 175.800 -0.046 0.000 1.058 59 F CA -0.938 57.128 58.000 0.109 0.000 0.944 59 F CB 1.951 40.991 39.000 0.068 0.000 1.245 59 F HN 0.133 nan 8.300 nan 0.000 0.477 60 N N 1.110 119.879 118.700 0.115 0.000 2.452 60 N HA 0.179 4.911 4.740 -0.014 0.000 0.266 60 N C -1.029 174.317 175.510 -0.274 0.000 1.175 60 N CA 0.421 53.412 53.050 -0.099 0.000 0.945 60 N CB 0.943 39.335 38.487 -0.158 0.000 1.063 60 N HN 0.486 nan 8.380 nan 0.000 0.472 61 T N 1.384 115.731 114.554 -0.345 0.000 2.906 61 T HA 0.603 4.944 4.350 -0.014 0.000 0.302 61 T C -0.625 173.688 174.700 -0.644 0.000 1.002 61 T CA -0.580 61.215 62.100 -0.508 0.000 0.988 61 T CB 1.308 69.827 68.868 -0.582 0.000 0.972 61 T HN 0.591 nan 8.240 nan 0.000 0.447 62 A N 1.575 124.047 122.820 -0.580 0.000 2.606 62 A HA 0.777 5.089 4.320 -0.014 0.000 0.293 62 A C 1.118 178.453 177.584 -0.415 0.000 1.082 62 A CA -0.569 51.177 52.037 -0.484 0.000 0.685 62 A CB 1.218 20.008 19.000 -0.351 0.000 1.284 62 A HN 0.538 nan 8.150 nan 0.000 0.408 63 S N 0.026 115.475 115.700 -0.418 0.000 2.419 63 S HA -0.150 4.311 4.470 -0.014 0.000 0.233 63 S C 1.997 176.486 174.600 -0.184 0.000 1.016 63 S CA 2.408 60.464 58.200 -0.239 0.000 0.974 63 S CB -0.497 62.628 63.200 -0.126 0.000 0.786 63 S HN 1.535 nan 8.310 nan 0.000 0.492 64 S N 1.243 116.840 115.700 -0.172 0.000 2.440 64 S HA 0.011 4.473 4.470 -0.014 0.000 0.238 64 S C 1.932 176.466 174.600 -0.110 0.000 1.010 64 S CA 0.926 59.058 58.200 -0.113 0.000 0.972 64 S CB -0.661 62.497 63.200 -0.070 0.000 0.774 64 S HN 0.610 nan 8.310 nan 0.000 0.501 65 A N 2.094 124.823 122.820 -0.153 0.000 2.015 65 A HA -0.011 4.300 4.320 -0.014 0.000 0.219 65 A C 2.194 179.710 177.584 -0.114 0.000 1.163 65 A CA 1.312 53.271 52.037 -0.131 0.000 0.646 65 A CB -0.521 18.356 19.000 -0.205 0.000 0.806 65 A HN 0.601 nan 8.150 nan 0.000 0.448 66 K N 0.376 120.695 120.400 -0.134 0.000 2.063 66 K HA -0.135 4.177 4.320 -0.014 0.000 0.208 66 K C 2.070 178.603 176.600 -0.112 0.000 1.048 66 K CA 1.783 57.999 56.287 -0.118 0.000 0.928 66 K CB -0.164 32.259 32.500 -0.128 0.000 0.713 66 K HN 0.658 nan 8.250 nan 0.000 0.442 67 S N -0.234 115.404 115.700 -0.103 0.000 2.535 67 S HA 0.255 4.717 4.470 -0.014 0.000 0.214 67 S C 0.688 175.243 174.600 -0.075 0.000 0.980 67 S CA -0.429 57.715 58.200 -0.094 0.000 0.907 67 S CB 0.386 63.532 63.200 -0.089 0.000 0.790 67 S HN 0.189 nan 8.310 nan 0.000 0.510 68 A N 3.212 125.994 122.820 -0.062 0.000 2.492 68 A HA 0.520 4.831 4.320 -0.014 0.000 0.254 68 A C -1.089 176.471 177.584 -0.039 0.000 1.091 68 A CA -1.326 50.690 52.037 -0.036 0.000 0.768 68 A CB 0.030 19.023 19.000 -0.012 0.000 1.028 68 A HN 0.230 nan 8.150 nan 0.000 0.498 69 P HA -0.179 nan 4.420 nan 0.000 0.216 69 P C 0.673 177.959 177.300 -0.022 0.000 1.150 69 P CA 1.756 64.835 63.100 -0.036 0.000 0.843 69 P CB 0.086 31.772 31.700 -0.024 0.000 0.787 70 D N -2.041 118.369 120.400 0.017 0.000 2.328 70 D HA 0.087 4.718 4.640 -0.014 0.000 0.226 70 D C 1.392 177.767 176.300 0.125 0.000 1.066 70 D CA 0.518 54.558 54.000 0.067 0.000 0.861 70 D CB -0.953 39.900 40.800 0.087 0.000 0.912 70 D HN 0.236 nan 8.370 nan 0.000 0.521 71 G N -0.035 108.797 108.800 0.052 0.000 2.184 71 G HA2 -0.272 3.680 3.960 -0.014 0.000 0.264 71 G HA3 -0.272 3.680 3.960 -0.014 0.000 0.264 71 G C 0.143 175.153 174.900 0.184 0.000 0.975 71 G CA 0.634 45.785 45.100 0.084 0.000 0.642 71 G HN 0.273 nan 8.290 nan 0.000 0.536 72 M N 1.298 120.987 119.600 0.148 0.000 2.423 72 M HA 0.469 4.941 4.480 -0.014 0.000 0.335 72 M C -2.039 174.297 176.300 0.060 0.000 1.177 72 M CA -3.362 52.022 55.300 0.140 0.000 1.038 72 M CB 0.639 33.337 32.600 0.163 0.000 1.641 72 M HN -0.006 nan 8.290 nan 0.000 0.455 73 P HA 0.110 nan 4.420 nan 0.000 0.272 73 P C -0.978 176.395 177.300 0.122 0.000 1.230 73 P CA -0.218 62.881 63.100 -0.002 0.000 0.788 73 P CB 0.409 32.045 31.700 -0.106 0.000 0.949 74 Q N 1.095 120.953 119.800 0.097 0.000 2.664 74 Q HA 0.346 4.678 4.340 -0.014 0.000 0.223 74 Q C -1.022 175.108 176.000 0.217 0.000 1.298 74 Q CA 0.227 56.102 55.803 0.120 0.000 0.965 74 Q CB -0.588 28.182 28.738 0.053 0.000 1.510 74 Q HN 0.381 nan 8.270 nan 0.000 0.567 75 F N 0.689 120.692 119.950 0.088 0.000 2.651 75 F HA 0.232 4.750 4.527 -0.016 0.000 0.329 75 F C -0.508 175.431 175.800 0.232 0.000 1.186 75 F CA -0.563 57.507 58.000 0.117 0.000 1.046 75 F CB 1.413 40.499 39.000 0.143 0.000 1.296 75 F HN 0.183 nan 8.300 nan 0.000 0.497 76 T N 0.540 114.922 114.554 -0.286 0.000 2.937 76 T HA 0.336 4.678 4.350 -0.014 0.000 0.283 76 T C 0.824 175.027 174.700 -0.828 0.000 1.012 76 T CA -0.379 61.491 62.100 -0.383 0.000 0.997 76 T CB 1.799 70.448 68.868 -0.364 0.000 1.136 76 T HN 0.788 nan 8.240 nan 0.000 0.551 77 E N 0.197 119.595 120.200 -1.337 0.000 2.110 77 E HA -0.111 4.230 4.350 -0.014 0.000 0.193 77 E C 2.260 178.456 176.600 -0.672 0.000 0.988 77 E CA 1.216 56.865 56.400 -1.253 0.000 0.804 77 E CB -0.529 28.310 29.700 -1.436 0.000 0.745 77 E HN 0.769 nan 8.360 nan 0.000 0.458 78 A N 1.119 123.609 122.820 -0.550 0.000 1.933 78 A HA -0.206 4.106 4.320 -0.014 0.000 0.218 78 A C 1.751 179.087 177.584 -0.413 0.000 1.175 78 A CA 1.725 53.528 52.037 -0.390 0.000 0.628 78 A CB -0.394 18.419 19.000 -0.311 0.000 0.814 78 A HN 0.251 nan 8.150 nan 0.000 0.444 79 D N -0.382 119.668 120.400 -0.583 0.000 2.117 79 D HA -0.131 4.500 4.640 -0.014 0.000 0.197 79 D C 1.821 177.777 176.300 -0.574 0.000 0.987 79 D CA 1.225 54.803 54.000 -0.703 0.000 0.829 79 D CB -0.355 39.729 40.800 -1.193 0.000 0.961 79 D HN 0.362 nan 8.370 nan 0.000 0.460 80 L N 1.081 121.959 121.223 -0.576 0.000 2.056 80 L HA -0.031 4.301 4.340 -0.014 0.000 0.207 80 L C 2.156 179.008 176.870 -0.029 0.000 1.078 80 L CA 1.562 56.316 54.840 -0.143 0.000 0.749 80 L CB -0.834 41.106 42.059 -0.198 0.000 0.901 80 L HN -0.047 nan 8.230 nan 0.000 0.433 81 A N -0.320 122.428 122.820 -0.119 0.000 1.940 81 A HA -0.266 4.046 4.320 -0.014 0.000 0.219 81 A C 2.552 180.168 177.584 0.054 0.000 1.176 81 A CA 1.873 53.905 52.037 -0.008 0.000 0.631 81 A CB -0.670 18.277 19.000 -0.089 0.000 0.814 81 A HN 0.528 nan 8.150 nan 0.000 0.446 82 R N -0.210 120.263 120.500 -0.046 0.000 2.073 82 R HA -0.183 4.149 4.340 -0.014 0.000 0.234 82 R C 2.229 178.593 176.300 0.106 0.000 1.134 82 R CA 1.798 57.877 56.100 -0.034 0.000 0.952 82 R CB -0.363 29.808 30.300 -0.215 0.000 0.850 82 R HN 0.716 nan 8.270 nan 0.000 0.433 83 E N -0.625 119.672 120.200 0.163 0.000 2.058 83 E HA -0.279 4.063 4.350 -0.014 0.000 0.194 83 E C 1.817 178.609 176.600 0.320 0.000 0.997 83 E CA 1.593 58.183 56.400 0.316 0.000 0.801 83 E CB -0.321 29.616 29.700 0.394 0.000 0.746 83 E HN 0.457 nan 8.360 nan 0.000 0.450 84 Y N 0.590 121.046 120.300 0.261 0.000 2.181 84 Y HA -0.156 4.386 4.550 -0.014 0.000 0.288 84 Y C 2.097 178.093 175.900 0.159 0.000 1.146 84 Y CA 1.723 59.971 58.100 0.246 0.000 1.164 84 Y CB -0.549 38.080 38.460 0.283 0.000 0.982 84 Y HN 0.157 nan 8.280 nan 0.000 0.515 85 A N -0.255 122.642 122.820 0.128 0.000 1.933 85 A HA -0.172 4.140 4.320 -0.014 0.000 0.218 85 A C 1.770 179.387 177.584 0.055 0.000 1.175 85 A CA 2.085 54.166 52.037 0.073 0.000 0.628 85 A CB -0.606 18.459 19.000 0.108 0.000 0.814 85 A HN 0.521 nan 8.150 nan 0.000 0.444 86 D N -1.676 118.783 120.400 0.098 0.000 2.271 86 D HA 0.127 4.759 4.640 -0.014 0.000 0.206 86 D C 1.593 177.960 176.300 0.111 0.000 0.967 86 D CA 0.994 55.074 54.000 0.133 0.000 0.867 86 D CB 0.150 41.082 40.800 0.220 0.000 0.960 86 D HN 0.482 nan 8.370 nan 0.000 0.509 87 M N -1.895 117.734 119.600 0.048 0.000 2.211 87 M HA 0.225 4.697 4.480 -0.014 0.000 0.338 87 M C 0.788 176.913 176.300 -0.291 0.000 0.893 87 M CA 0.233 55.540 55.300 0.012 0.000 1.096 87 M CB 2.277 34.949 32.600 0.120 0.000 1.923 87 M HN -0.011 nan 8.290 nan 0.000 0.656 88 G N 2.806 111.232 108.800 -0.623 0.000 2.198 88 G HA2 -0.255 3.697 3.960 -0.014 0.000 0.260 88 G HA3 -0.255 3.697 3.960 -0.014 0.000 0.260 88 G C 0.196 174.780 174.900 -0.526 0.000 1.025 88 G CA 0.546 44.871 45.100 -1.293 0.000 0.769 88 G HN 0.532 nan 8.290 nan 0.000 0.507 89 T N -1.561 112.949 114.554 -0.073 0.000 2.855 89 T HA 0.434 4.776 4.350 -0.014 0.000 0.314 89 T C 1.011 175.652 174.700 -0.098 0.000 1.077 89 T CA 0.445 62.622 62.100 0.128 0.000 1.095 89 T CB 1.403 70.515 68.868 0.407 0.000 0.987 89 T HN 0.892 nan 8.240 nan 0.000 0.546 90 N N -0.390 118.301 118.700 -0.015 0.000 2.184 90 N HA 0.164 4.896 4.740 -0.014 0.000 0.234 90 N C -0.908 174.736 175.510 0.223 0.000 1.282 90 N CA -0.592 52.347 53.050 -0.186 0.000 0.877 90 N CB 0.226 38.752 38.487 0.064 0.000 1.184 90 N HN 0.576 nan 8.380 nan 0.000 0.510 91 F N 0.378 120.502 119.950 0.291 0.000 2.613 91 F HA 0.735 5.255 4.527 -0.013 0.000 0.310 91 F C -1.690 174.336 175.800 0.376 0.000 1.085 91 F CA -1.278 56.906 58.000 0.306 0.000 0.945 91 F CB 1.933 41.035 39.000 0.171 0.000 1.298 91 F HN -0.173 nan 8.300 nan 0.000 0.455 92 V N 5.249 124.854 119.914 -0.516 0.000 2.808 92 V HA 0.555 4.667 4.120 -0.014 0.000 0.308 92 V C -1.451 174.092 176.094 -0.918 0.000 1.099 92 V CA -0.771 61.166 62.300 -0.606 0.000 0.920 92 V CB 2.069 33.509 31.823 -0.637 0.000 1.014 92 V HN 0.880 nan 8.190 nan 0.000 0.425 93 R N 5.257 125.410 120.500 -0.578 0.000 2.230 93 R HA 0.385 4.717 4.340 -0.014 0.000 0.337 93 R C -1.506 174.712 176.300 -0.136 0.000 1.063 93 R CA -0.429 55.509 56.100 -0.269 0.000 0.935 93 R CB 0.539 30.811 30.300 -0.047 0.000 1.121 93 R HN 0.641 nan 8.270 nan 0.000 0.486 94 F N 5.696 125.502 119.950 -0.240 0.000 2.391 94 F HA 0.305 4.824 4.527 -0.013 0.000 0.359 94 F C -0.828 174.917 175.800 -0.091 0.000 1.122 94 F CA -0.893 56.970 58.000 -0.228 0.000 1.120 94 F CB 0.659 39.470 39.000 -0.315 0.000 1.142 94 F HN 0.376 nan 8.300 nan 0.000 0.483 95 L N 7.888 128.786 121.223 -0.543 0.000 2.418 95 L HA 0.281 4.613 4.340 -0.014 0.000 0.274 95 L C 0.216 176.977 176.870 -0.182 0.000 1.135 95 L CA 0.290 54.972 54.840 -0.263 0.000 0.870 95 L CB 0.258 42.114 42.059 -0.338 0.000 1.154 95 L HN 0.542 nan 8.230 nan 0.000 0.462 96 I N -0.108 120.502 120.570 0.068 0.000 3.133 96 I HA 0.944 5.106 4.170 -0.014 0.000 0.311 96 I C -0.241 175.940 176.117 0.107 0.000 1.072 96 I CA -0.666 60.736 61.300 0.170 0.000 1.015 96 I CB 2.372 40.484 38.000 0.186 0.000 1.233 96 I HN 0.549 nan 8.210 nan 0.000 0.473 97 S N 0.560 116.304 115.700 0.072 0.000 2.536 97 S HA 0.254 4.715 4.470 -0.014 0.000 0.271 97 S C -0.305 174.288 174.600 -0.012 0.000 1.134 97 S CA -0.746 57.453 58.200 -0.002 0.000 0.897 97 S CB 1.471 64.630 63.200 -0.067 0.000 1.094 97 S HN 0.990 nan 8.310 nan 0.000 0.473 98 W N 3.628 124.803 121.300 -0.209 0.000 2.358 98 W HA -0.121 4.533 4.660 -0.011 0.000 0.303 98 W C 2.142 178.548 176.519 -0.188 0.000 1.208 98 W CA 1.664 58.881 57.345 -0.213 0.000 1.274 98 W CB -0.593 28.758 29.460 -0.183 0.000 1.138 98 W HN 0.950 nan 8.180 nan 0.000 0.515 99 R N -0.110 120.272 120.500 -0.196 0.000 2.152 99 R HA -0.070 4.262 4.340 -0.014 0.000 0.232 99 R C 1.936 178.086 176.300 -0.250 0.000 1.117 99 R CA 2.175 58.084 56.100 -0.318 0.000 0.981 99 R CB -1.411 28.692 30.300 -0.329 0.000 0.870 99 R HN -0.024 nan 8.270 nan 0.000 0.451 100 S N 0.034 115.527 115.700 -0.344 0.000 2.406 100 S HA 0.072 4.533 4.470 -0.014 0.000 0.224 100 S C 1.872 176.226 174.600 -0.409 0.000 1.030 100 S CA 0.736 58.553 58.200 -0.638 0.000 0.958 100 S CB -0.001 62.317 63.200 -1.469 0.000 0.811 100 S HN 0.128 nan 8.310 nan 0.000 0.489 101 V N 1.126 120.972 119.914 -0.113 0.000 2.358 101 V HA -0.019 4.092 4.120 -0.014 0.000 0.246 101 V C 1.264 177.549 176.094 0.317 0.000 1.047 101 V CA 1.264 63.683 62.300 0.199 0.000 1.035 101 V CB -0.230 31.694 31.823 0.167 0.000 0.658 101 V HN 0.439 nan 8.190 nan 0.000 0.452 102 E N 0.258 120.646 120.200 0.313 0.000 3.374 102 E HA 0.188 4.530 4.350 -0.014 0.000 0.223 102 E C -1.972 174.798 176.600 0.284 0.000 1.210 102 E CA -1.568 55.073 56.400 0.402 0.000 0.987 102 E CB 1.416 31.547 29.700 0.718 0.000 1.322 102 E HN 0.311 nan 8.360 nan 0.000 0.404 103 P HA -0.013 nan 4.420 nan 0.000 0.223 103 P C 0.030 177.449 177.300 0.198 0.000 1.151 103 P CA 0.559 63.726 63.100 0.113 0.000 0.787 103 P CB 0.404 32.115 31.700 0.019 0.000 0.788 104 A N -0.228 122.613 122.820 0.034 0.000 2.498 104 A HA 0.660 4.972 4.320 -0.014 0.000 0.298 104 A C -2.897 174.287 177.584 -0.667 0.000 1.075 104 A CA -2.165 49.668 52.037 -0.339 0.000 0.714 104 A CB 0.829 19.686 19.000 -0.239 0.000 1.299 104 A HN -0.210 nan 8.150 nan 0.000 0.407 105 P HA 0.233 nan 4.420 nan 0.000 0.262 105 P C 0.979 178.018 177.300 -0.435 0.000 1.199 105 P CA 1.932 64.313 63.100 -1.198 0.000 0.763 105 P CB 0.505 31.452 31.700 -1.255 0.000 0.790 106 G N 2.224 110.886 108.800 -0.231 0.000 2.162 106 G HA2 -0.219 3.733 3.960 -0.014 0.000 0.260 106 G HA3 -0.219 3.733 3.960 -0.014 0.000 0.260 106 G C -0.042 174.522 174.900 -0.560 0.000 0.976 106 G CA 0.008 44.907 45.100 -0.336 0.000 0.655 106 G HN 0.518 nan 8.290 nan 0.000 0.533 107 V N 1.698 121.319 119.914 -0.487 0.000 2.266 107 V HA 0.477 4.589 4.120 -0.014 0.000 0.271 107 V C -0.039 175.904 176.094 -0.252 0.000 1.032 107 V CA -1.375 60.721 62.300 -0.340 0.000 0.806 107 V CB 0.070 31.779 31.823 -0.190 0.000 1.052 107 V HN 0.245 nan 8.190 nan 0.000 0.449 108 Y N 1.328 121.670 120.300 0.070 0.000 2.336 108 Y HA 0.374 4.915 4.550 -0.014 0.000 0.331 108 Y C 0.764 176.712 175.900 0.081 0.000 1.211 108 Y CA -0.928 57.228 58.100 0.094 0.000 1.346 108 Y CB 0.462 38.979 38.460 0.096 0.000 1.271 108 Y HN 0.492 nan 8.280 nan 0.000 0.538 109 D N 2.181 122.744 120.400 0.272 0.000 2.467 109 D HA 0.096 4.728 4.640 -0.014 0.000 0.220 109 D C 0.426 176.853 176.300 0.213 0.000 1.103 109 D CA -0.200 53.920 54.000 0.200 0.000 0.886 109 D CB 0.685 41.592 40.800 0.177 0.000 1.025 109 D HN 0.476 nan 8.370 nan 0.000 0.514 110 Q N 2.074 121.963 119.800 0.148 0.000 2.291 110 Q HA -0.153 4.179 4.340 -0.014 0.000 0.205 110 Q C 1.486 177.529 176.000 0.072 0.000 0.970 110 Q CA 0.740 56.600 55.803 0.094 0.000 0.876 110 Q CB 0.067 28.842 28.738 0.061 0.000 0.935 110 Q HN 0.680 nan 8.270 nan 0.000 0.455 111 Q N -0.332 119.523 119.800 0.091 0.000 2.079 111 Q HA -0.197 4.134 4.340 -0.014 0.000 0.200 111 Q C 1.869 177.935 176.000 0.110 0.000 0.974 111 Q CA 1.127 56.979 55.803 0.080 0.000 0.840 111 Q CB -0.102 28.685 28.738 0.081 0.000 0.898 111 Q HN 0.368 nan 8.270 nan 0.000 0.430 112 Y N 0.930 121.256 120.300 0.044 0.000 2.145 112 Y HA -0.221 4.321 4.550 -0.013 0.000 0.286 112 Y C 1.694 177.635 175.900 0.067 0.000 1.145 112 Y CA 1.639 59.771 58.100 0.053 0.000 1.148 112 Y CB -0.351 38.143 38.460 0.057 0.000 0.981 112 Y HN 0.104 nan 8.280 nan 0.000 0.507 113 L N -0.126 121.049 121.223 -0.081 0.000 2.131 113 L HA -0.217 4.114 4.340 -0.014 0.000 0.210 113 L C 2.054 178.850 176.870 -0.123 0.000 1.092 113 L CA 1.404 56.161 54.840 -0.139 0.000 0.759 113 L CB -0.663 41.382 42.059 -0.023 0.000 0.903 113 L HN 0.184 nan 8.230 nan 0.000 0.435 114 D N 0.196 120.545 120.400 -0.084 0.000 2.123 114 D HA -0.156 4.475 4.640 -0.014 0.000 0.196 114 D C 2.350 178.598 176.300 -0.087 0.000 0.992 114 D CA 1.138 55.093 54.000 -0.075 0.000 0.833 114 D CB -0.100 40.680 40.800 -0.034 0.000 0.954 114 D HN 0.276 nan 8.370 nan 0.000 0.455 115 R N 0.331 120.772 120.500 -0.098 0.000 2.081 115 R HA -0.058 4.274 4.340 -0.014 0.000 0.235 115 R C 2.445 178.627 176.300 -0.196 0.000 1.131 115 R CA 0.701 56.736 56.100 -0.107 0.000 0.960 115 R CB -0.482 29.800 30.300 -0.031 0.000 0.856 115 R HN 0.093 nan 8.270 nan 0.000 0.436 116 V N 1.343 121.093 119.914 -0.273 0.000 2.287 116 V HA -0.276 3.836 4.120 -0.014 0.000 0.248 116 V C 2.325 178.305 176.094 -0.189 0.000 1.053 116 V CA 2.095 64.227 62.300 -0.279 0.000 1.027 116 V CB -0.545 31.110 31.823 -0.280 0.000 0.646 116 V HN 0.409 nan 8.190 nan 0.000 0.447 117 E N 0.126 120.349 120.200 0.039 0.000 2.118 117 E HA -0.317 4.024 4.350 -0.014 0.000 0.195 117 E C 1.928 178.467 176.600 -0.103 0.000 0.992 117 E CA 1.681 58.133 56.400 0.087 0.000 0.804 117 E CB -0.156 29.522 29.700 -0.036 0.000 0.741 117 E HN 0.733 nan 8.360 nan 0.000 0.458 118 D N -0.326 119.963 120.400 -0.184 0.000 2.104 118 D HA -0.180 4.451 4.640 -0.014 0.000 0.194 118 D C 1.982 177.888 176.300 -0.656 0.000 0.994 118 D CA 1.260 55.104 54.000 -0.261 0.000 0.830 118 D CB 0.107 40.803 40.800 -0.174 0.000 0.959 118 D HN -0.022 nan 8.370 nan 0.000 0.452 119 R N -0.183 119.809 120.500 -0.847 0.000 2.075 119 R HA 0.011 4.343 4.340 -0.014 0.000 0.232 119 R C 2.419 178.339 176.300 -0.634 0.000 1.126 119 R CA 0.598 55.952 56.100 -1.244 0.000 0.963 119 R CB -0.916 28.832 30.300 -0.920 0.000 0.858 119 R HN 0.156 nan 8.270 nan 0.000 0.435 120 V N 0.026 119.667 119.914 -0.454 0.000 2.392 120 V HA -0.193 3.918 4.120 -0.014 0.000 0.249 120 V C 2.218 178.308 176.094 -0.007 0.000 1.059 120 V CA 2.136 64.323 62.300 -0.188 0.000 1.051 120 V CB -1.061 30.669 31.823 -0.154 0.000 0.658 120 V HN 0.538 nan 8.190 nan 0.000 0.455 121 G N -1.022 107.743 108.800 -0.058 0.000 2.432 121 G HA2 -0.228 3.724 3.960 -0.014 0.000 0.219 121 G HA3 -0.228 3.724 3.960 -0.014 0.000 0.219 121 G C 1.210 176.216 174.900 0.178 0.000 1.135 121 G CA 0.676 45.812 45.100 0.060 0.000 0.767 121 G HN 0.530 nan 8.290 nan 0.000 0.550 122 W N 0.344 121.621 121.300 -0.037 0.000 2.355 122 W HA 0.018 4.668 4.660 -0.016 0.000 0.309 122 W C 2.251 178.662 176.519 -0.180 0.000 1.206 122 W CA 0.343 57.605 57.345 -0.140 0.000 1.284 122 W CB -1.522 27.792 29.460 -0.244 0.000 1.145 122 W HN 0.282 nan 8.180 nan 0.000 0.502 123 Y N 0.547 120.933 120.300 0.143 0.000 2.181 123 Y HA -0.127 4.414 4.550 -0.015 0.000 0.288 123 Y C 2.712 178.714 175.900 0.170 0.000 1.146 123 Y CA 2.104 60.229 58.100 0.042 0.000 1.164 123 Y CB -1.406 37.023 38.460 -0.051 0.000 0.982 123 Y HN -0.087 nan 8.280 nan 0.000 0.515 124 A N 0.053 123.032 122.820 0.265 0.000 1.908 124 A HA -0.287 4.025 4.320 -0.014 0.000 0.218 124 A C 2.152 179.829 177.584 0.155 0.000 1.181 124 A CA 1.971 54.126 52.037 0.197 0.000 0.627 124 A CB -0.800 18.285 19.000 0.142 0.000 0.818 124 A HN 0.555 nan 8.150 nan 0.000 0.445 125 E N -0.377 119.902 120.200 0.131 0.000 2.204 125 E HA -0.151 4.191 4.350 -0.014 0.000 0.195 125 E C 1.509 178.138 176.600 0.047 0.000 0.990 125 E CA 0.817 57.264 56.400 0.078 0.000 0.821 125 E CB -0.016 29.723 29.700 0.064 0.000 0.750 125 E HN 0.607 nan 8.360 nan 0.000 0.477 126 R N -1.132 119.424 120.500 0.093 0.000 2.427 126 R HA 0.179 4.511 4.340 -0.014 0.000 0.262 126 R C 0.761 177.078 176.300 0.028 0.000 0.943 126 R CA 0.438 56.548 56.100 0.016 0.000 1.081 126 R CB 0.926 31.267 30.300 0.069 0.000 1.166 126 R HN 0.222 nan 8.270 nan 0.000 0.534 127 G N 0.629 109.496 108.800 0.111 0.000 2.147 127 G HA2 -0.318 3.634 3.960 -0.014 0.000 0.244 127 G HA3 -0.318 3.634 3.960 -0.014 0.000 0.244 127 G C -0.269 174.698 174.900 0.112 0.000 1.005 127 G CA -0.074 45.066 45.100 0.068 0.000 0.713 127 G HN 0.265 nan 8.290 nan 0.000 0.515 128 Y N 0.343 120.739 120.300 0.159 0.000 2.300 128 Y HA 0.585 5.127 4.550 -0.013 0.000 0.328 128 Y C 1.002 177.022 175.900 0.200 0.000 1.270 128 Y CA -0.297 57.947 58.100 0.241 0.000 1.352 128 Y CB 0.793 39.483 38.460 0.383 0.000 1.286 128 Y HN -0.078 nan 8.280 nan 0.000 0.536 129 K N 1.447 122.073 120.400 0.377 0.000 2.123 129 K HA 0.604 4.915 4.320 -0.014 0.000 0.259 129 K C -1.205 175.570 176.600 0.291 0.000 0.960 129 K CA -0.764 55.708 56.287 0.307 0.000 0.872 129 K CB 2.015 34.686 32.500 0.286 0.000 1.079 129 K HN 0.357 nan 8.250 nan 0.000 0.440 130 V N 2.931 122.929 119.914 0.141 0.000 2.495 130 V HA 0.434 4.545 4.120 -0.014 0.000 0.298 130 V C -0.272 175.846 176.094 0.041 0.000 1.031 130 V CA -0.885 61.386 62.300 -0.049 0.000 0.871 130 V CB 1.755 33.477 31.823 -0.168 0.000 0.988 130 V HN 0.738 nan 8.190 nan 0.000 0.432 131 M N 5.747 125.337 119.600 -0.017 0.000 2.149 131 M HA 0.567 5.039 4.480 -0.014 0.000 0.342 131 M C -1.399 174.968 176.300 0.113 0.000 1.068 131 M CA -0.463 54.910 55.300 0.121 0.000 0.991 131 M CB 1.011 33.762 32.600 0.252 0.000 1.596 131 M HN 0.535 nan 8.290 nan 0.000 0.439 132 L N 4.218 125.580 121.223 0.231 0.000 2.290 132 L HA 0.335 4.667 4.340 -0.014 0.000 0.284 132 L C -0.454 176.673 176.870 0.428 0.000 1.078 132 L CA -0.482 54.534 54.840 0.294 0.000 0.815 132 L CB 0.748 42.990 42.059 0.304 0.000 1.162 132 L HN 0.641 nan 8.230 nan 0.000 0.435 133 D N 4.582 125.185 120.400 0.338 0.000 2.392 133 D HA 0.218 4.849 4.640 -0.014 0.000 0.228 133 D C -0.372 176.135 176.300 0.345 0.000 1.074 133 D CA -0.599 53.633 54.000 0.388 0.000 0.838 133 D CB 1.406 42.419 40.800 0.355 0.000 1.067 133 D HN 0.255 nan 8.370 nan 0.000 0.511 134 M N 4.637 124.483 119.600 0.409 0.000 2.618 134 M HA 0.175 4.647 4.480 -0.014 0.000 0.322 134 M C -1.153 175.310 176.300 0.271 0.000 1.471 134 M CA -0.030 55.397 55.300 0.212 0.000 1.450 134 M CB -0.369 32.311 32.600 0.134 0.000 1.444 134 M HN 0.425 nan 8.290 nan 0.000 0.471 135 H N 2.955 122.107 119.070 0.136 0.000 2.467 135 H HA 0.616 5.163 4.556 -0.014 0.000 0.331 135 H C -0.878 174.495 175.328 0.076 0.000 1.120 135 H CA -0.197 55.929 56.048 0.131 0.000 1.270 135 H CB 0.809 30.629 29.762 0.097 0.000 1.466 135 H HN 0.687 nan 8.280 nan 0.000 0.504 136 Q N 2.549 122.239 119.800 -0.184 0.000 2.418 136 Q HA 0.436 4.768 4.340 -0.014 0.000 0.282 136 Q C -1.939 174.000 176.000 -0.101 0.000 1.044 136 Q CA -0.947 54.817 55.803 -0.065 0.000 0.813 136 Q CB 2.156 30.856 28.738 -0.063 0.000 1.428 136 Q HN 0.552 nan 8.270 nan 0.000 0.402 137 D N 1.451 121.830 120.400 -0.034 0.000 2.879 137 D HA 0.337 4.969 4.640 -0.014 0.000 0.236 137 D C -0.160 176.090 176.300 -0.083 0.000 1.171 137 D CA -0.280 53.705 54.000 -0.025 0.000 0.868 137 D CB 2.535 43.172 40.800 -0.272 0.000 1.598 137 D HN 1.146 nan 8.370 nan 0.000 0.497 138 V N 1.067 120.866 119.914 -0.192 0.000 5.175 138 V HA -0.406 3.705 4.120 -0.014 0.000 0.279 138 V C 0.620 176.745 176.094 0.052 0.000 0.571 138 V CA 1.939 64.075 62.300 -0.273 0.000 0.694 138 V CB -3.078 28.514 31.823 -0.385 0.000 0.525 138 V HN 1.022 nan 8.190 nan 0.000 1.093 139 Y N -1.014 119.271 120.300 -0.025 0.000 2.740 139 Y HA -0.351 4.190 4.550 -0.015 0.000 0.482 139 Y C 1.033 176.760 175.900 -0.287 0.000 1.156 139 Y CA 2.765 60.641 58.100 -0.373 0.000 2.839 139 Y CB -1.461 36.573 38.460 -0.709 0.000 0.979 139 Y HN 2.036 nan 8.280 nan 0.000 0.561 140 S N -1.248 114.340 115.700 -0.187 0.000 2.578 140 S HA 0.519 4.981 4.470 -0.014 0.000 0.272 140 S C 0.457 174.942 174.600 -0.191 0.000 1.145 140 S CA -0.127 57.926 58.200 -0.245 0.000 0.835 140 S CB 0.903 63.967 63.200 -0.225 0.000 1.104 140 S HN 1.028 nan 8.310 nan 0.000 0.458 141 G N 1.220 109.897 108.800 -0.204 0.000 2.509 141 G HA2 0.142 4.094 3.960 -0.014 0.000 0.218 141 G HA3 0.142 4.094 3.960 -0.014 0.000 0.218 141 G C 1.188 175.984 174.900 -0.175 0.000 1.124 141 G CA 0.782 45.770 45.100 -0.187 0.000 0.776 141 G HN 1.132 nan 8.290 nan 0.000 0.547 142 A N 0.983 123.696 122.820 -0.178 0.000 2.235 142 A HA 0.223 4.535 4.320 -0.014 0.000 0.208 142 A C 2.145 179.645 177.584 -0.140 0.000 1.172 142 A CA 0.704 52.642 52.037 -0.164 0.000 0.786 142 A CB -0.483 18.399 19.000 -0.196 0.000 0.804 142 A HN 0.682 nan 8.150 nan 0.000 0.479 143 I N -2.400 118.088 120.570 -0.137 0.000 2.830 143 I HA 0.040 4.202 4.170 -0.014 0.000 0.263 143 I C 0.782 176.827 176.117 -0.119 0.000 1.230 143 I CA 1.076 62.304 61.300 -0.121 0.000 1.480 143 I CB -0.466 37.461 38.000 -0.121 0.000 1.095 143 I HN 0.259 nan 8.210 nan 0.000 0.455 144 T N -3.647 110.826 114.554 -0.135 0.000 2.900 144 T HA 0.476 4.817 4.350 -0.014 0.000 0.303 144 T C -2.405 172.237 174.700 -0.097 0.000 1.142 144 T CA -1.681 60.355 62.100 -0.107 0.000 1.007 144 T CB 1.948 70.744 68.868 -0.120 0.000 1.156 144 T HN -0.299 nan 8.240 nan 0.000 0.490 145 P HA -0.082 nan 4.420 nan 0.000 0.218 145 P C 1.251 178.511 177.300 -0.065 0.000 1.146 145 P CA 0.918 63.981 63.100 -0.062 0.000 0.813 145 P CB 0.133 31.807 31.700 -0.044 0.000 0.778 146 E N -0.264 119.894 120.200 -0.070 0.000 2.219 146 E HA -0.137 4.204 4.350 -0.014 0.000 0.198 146 E C 1.751 178.302 176.600 -0.081 0.000 0.998 146 E CA 1.149 57.508 56.400 -0.070 0.000 0.818 146 E CB -0.764 28.892 29.700 -0.074 0.000 0.741 146 E HN 0.201 nan 8.360 nan 0.000 0.477 147 G N -0.109 108.632 108.800 -0.098 0.000 3.088 147 G HA2 -0.095 3.857 3.960 -0.014 0.000 0.212 147 G HA3 -0.095 3.857 3.960 -0.014 0.000 0.212 147 G C 0.929 175.770 174.900 -0.099 0.000 1.173 147 G CA -0.237 44.799 45.100 -0.108 0.000 0.779 147 G HN 0.133 nan 8.290 nan 0.000 0.540 148 N N 1.195 119.846 118.700 -0.082 0.000 2.348 148 N HA -0.114 4.617 4.740 -0.014 0.000 0.185 148 N C 2.301 177.769 175.510 -0.070 0.000 1.019 148 N CA 1.374 54.380 53.050 -0.075 0.000 0.880 148 N CB 0.079 38.530 38.487 -0.060 0.000 0.965 148 N HN 0.445 nan 8.380 nan 0.000 0.437 149 S N -2.031 113.629 115.700 -0.067 0.000 2.557 149 S HA 0.259 4.720 4.470 -0.014 0.000 0.223 149 S C 1.465 176.024 174.600 -0.069 0.000 0.969 149 S CA 0.009 58.173 58.200 -0.060 0.000 0.927 149 S CB 0.436 63.607 63.200 -0.049 0.000 0.806 149 S HN 0.205 nan 8.310 nan 0.000 0.489 150 G N 1.461 110.209 108.800 -0.087 0.000 3.126 150 G HA2 0.107 4.059 3.960 -0.014 0.000 0.224 150 G HA3 0.107 4.059 3.960 -0.014 0.000 0.224 150 G C 0.462 175.289 174.900 -0.121 0.000 1.142 150 G CA -0.236 44.804 45.100 -0.100 0.000 0.759 150 G HN 0.530 nan 8.290 nan 0.000 0.550 151 N N -0.171 118.455 118.700 -0.123 0.000 2.708 151 N HA -0.187 4.545 4.740 -0.014 0.000 0.251 151 N C 1.454 176.835 175.510 -0.214 0.000 1.017 151 N CA 1.647 54.608 53.050 -0.149 0.000 0.742 151 N CB -1.255 37.162 38.487 -0.116 0.000 0.943 151 N HN 1.101 nan 8.380 nan 0.000 0.539 152 G N -2.840 105.831 108.800 -0.215 0.000 2.213 152 G HA2 -0.053 3.899 3.960 -0.014 0.000 0.226 152 G HA3 -0.053 3.899 3.960 -0.014 0.000 0.226 152 G C 0.389 175.156 174.900 -0.221 0.000 0.992 152 G CA 0.588 45.533 45.100 -0.258 0.000 0.632 152 G HN 1.344 nan 8.290 nan 0.000 0.511 153 A N 0.156 122.865 122.820 -0.185 0.000 2.466 153 A HA 0.766 5.078 4.320 -0.014 0.000 0.238 153 A C 0.975 178.470 177.584 -0.148 0.000 1.074 153 A CA 1.374 53.317 52.037 -0.156 0.000 0.774 153 A CB 0.631 19.552 19.000 -0.132 0.000 1.015 153 A HN 2.225 nan 8.150 nan 0.000 0.498 154 G N -2.024 106.692 108.800 -0.141 0.000 2.489 154 G HA2 0.606 4.558 3.960 -0.014 0.000 0.291 154 G HA3 0.606 4.558 3.960 -0.014 0.000 0.291 154 G C 0.181 174.995 174.900 -0.142 0.000 1.487 154 G CA 0.061 45.077 45.100 -0.140 0.000 0.795 154 G HN 1.437 nan 8.290 nan 0.000 0.513 155 A N -0.348 122.390 122.820 -0.136 0.000 2.021 155 A HA 0.368 4.680 4.320 -0.014 0.000 0.216 155 A C 1.667 179.139 177.584 -0.187 0.000 1.163 155 A CA 1.494 53.447 52.037 -0.139 0.000 0.676 155 A CB -0.224 18.712 19.000 -0.107 0.000 0.818 155 A HN 0.507 nan 8.150 nan 0.000 0.453 156 I N -0.943 119.507 120.570 -0.199 0.000 4.728 156 I HA 0.184 4.346 4.170 -0.014 0.000 0.233 156 I C 1.599 177.553 176.117 -0.273 0.000 1.004 156 I CA 0.706 61.859 61.300 -0.244 0.000 1.677 156 I CB -1.774 36.126 38.000 -0.166 0.000 1.509 156 I HN 0.192 nan 8.210 nan 0.000 0.463 157 G N 2.227 110.870 108.800 -0.261 0.000 2.432 157 G HA2 0.303 4.255 3.960 -0.014 0.000 0.239 157 G HA3 0.303 4.255 3.960 -0.014 0.000 0.239 157 G C -0.421 174.358 174.900 -0.201 0.000 1.291 157 G CA 0.096 45.057 45.100 -0.232 0.000 0.863 157 G HN 0.754 nan 8.290 nan 0.000 0.560 158 N N 0.174 118.767 118.700 -0.178 0.000 2.745 158 N HA 0.644 5.376 4.740 -0.014 0.000 0.256 158 N C 0.288 175.701 175.510 -0.162 0.000 1.268 158 N CA -0.080 52.875 53.050 -0.158 0.000 0.887 158 N CB 1.484 39.903 38.487 -0.114 0.000 1.575 158 N HN 1.149 nan 8.380 nan 0.000 0.496 159 G N 0.092 108.781 108.800 -0.185 0.000 2.483 159 G HA2 0.234 4.185 3.960 -0.014 0.000 0.196 159 G HA3 0.234 4.185 3.960 -0.014 0.000 0.196 159 G C -0.244 174.500 174.900 -0.260 0.000 2.335 159 G CA 0.084 45.085 45.100 -0.164 0.000 1.576 159 G HN 1.228 nan 8.290 nan 0.000 0.499 160 A N 3.471 126.000 122.820 -0.484 0.000 2.445 160 A HA 0.660 4.972 4.320 -0.014 0.000 0.242 160 A C -1.565 175.549 177.584 -0.782 0.000 1.075 160 A CA -0.116 51.487 52.037 -0.724 0.000 0.777 160 A CB -0.033 18.314 19.000 -1.088 0.000 1.013 160 A HN 0.446 nan 8.150 nan 0.000 0.493 161 P HA 0.169 nan 4.420 nan 0.000 0.272 161 P C 0.721 177.509 177.300 -0.853 0.000 1.240 161 P CA 0.483 63.027 63.100 -0.927 0.000 0.791 161 P CB 0.847 31.839 31.700 -1.181 0.000 0.978 162 A N 2.794 125.300 122.820 -0.523 0.000 1.940 162 A HA -0.160 4.152 4.320 -0.014 0.000 0.219 162 A C 2.003 179.334 177.584 -0.420 0.000 1.176 162 A CA 1.541 53.347 52.037 -0.385 0.000 0.631 162 A CB -1.770 17.096 19.000 -0.223 0.000 0.814 162 A HN 0.834 nan 8.150 nan 0.000 0.446 163 W N -1.280 119.809 121.300 -0.352 0.000 2.468 163 W HA 0.181 4.832 4.660 -0.016 0.000 0.262 163 W C 1.330 177.589 176.519 -0.434 0.000 1.241 163 W CA 0.811 57.942 57.345 -0.356 0.000 1.232 163 W CB -0.562 28.741 29.460 -0.260 0.000 1.124 163 W HN 0.401 nan 8.180 nan 0.000 0.597 164 A N 0.964 123.178 122.820 -1.009 0.000 2.345 164 A HA 0.239 4.550 4.320 -0.014 0.000 0.225 164 A C 0.365 177.721 177.584 -0.382 0.000 1.243 164 A CA 0.268 51.834 52.037 -0.785 0.000 0.875 164 A CB -0.453 17.632 19.000 -1.525 0.000 0.929 164 A HN 0.045 nan 8.150 nan 0.000 0.502 165 T N 0.527 114.764 114.554 -0.528 0.000 2.770 165 T HA 0.501 4.843 4.350 -0.014 0.000 0.297 165 T C -1.370 173.004 174.700 -0.542 0.000 0.997 165 T CA 0.135 62.035 62.100 -0.334 0.000 0.949 165 T CB 0.026 68.759 68.868 -0.226 0.000 0.941 165 T HN 0.226 nan 8.240 nan 0.000 0.457 166 Y N 2.874 123.016 120.300 -0.262 0.000 2.526 166 Y HA 0.355 4.898 4.550 -0.011 0.000 0.328 166 Y C 1.055 176.858 175.900 -0.162 0.000 0.995 166 Y CA -0.776 57.207 58.100 -0.194 0.000 1.304 166 Y CB 0.937 39.234 38.460 -0.271 0.000 1.096 166 Y HN 0.587 nan 8.280 nan 0.000 0.499 167 M N 0.552 120.146 119.600 -0.010 0.000 2.509 167 M HA 0.033 4.505 4.480 -0.014 0.000 0.250 167 M C -0.114 176.210 176.300 0.040 0.000 1.132 167 M CA 0.466 55.761 55.300 -0.009 0.000 1.080 167 M CB 0.283 32.862 32.600 -0.035 0.000 1.408 167 M HN 0.534 nan 8.290 nan 0.000 0.484 168 D N 1.015 121.461 120.400 0.076 0.000 2.772 168 D HA -0.172 4.460 4.640 -0.014 0.000 0.233 168 D C 1.004 177.336 176.300 0.053 0.000 1.143 168 D CA 1.302 55.351 54.000 0.083 0.000 0.700 168 D CB -1.849 39.003 40.800 0.087 0.000 1.076 168 D HN 0.707 nan 8.370 nan 0.000 0.430 169 G N -1.149 107.673 108.800 0.037 0.000 2.168 169 G HA2 -0.342 3.610 3.960 -0.014 0.000 0.263 169 G HA3 -0.342 3.610 3.960 -0.014 0.000 0.263 169 G C 0.375 175.291 174.900 0.026 0.000 0.977 169 G CA 0.467 45.583 45.100 0.026 0.000 0.659 169 G HN 0.511 nan 8.290 nan 0.000 0.533 170 L N 2.119 123.360 121.223 0.030 0.000 2.371 170 L HA 0.382 4.714 4.340 -0.014 0.000 0.272 170 L C -1.145 175.745 176.870 0.033 0.000 1.124 170 L CA -1.930 52.931 54.840 0.035 0.000 0.816 170 L CB 0.812 42.898 42.059 0.044 0.000 1.129 170 L HN 0.002 nan 8.230 nan 0.000 0.448 171 P HA 0.118 nan 4.420 nan 0.000 0.274 171 P C -0.999 176.334 177.300 0.055 0.000 1.237 171 P CA -0.254 62.869 63.100 0.038 0.000 0.793 171 P CB 1.404 33.126 31.700 0.037 0.000 0.977 172 V N 2.133 122.083 119.914 0.061 0.000 2.439 172 V HA 0.191 4.303 4.120 -0.014 0.000 0.277 172 V C 0.085 176.255 176.094 0.128 0.000 1.008 172 V CA -0.532 61.831 62.300 0.105 0.000 0.846 172 V CB 1.082 32.949 31.823 0.075 0.000 1.031 172 V HN 0.458 nan 8.190 nan 0.000 0.441 173 E N 4.400 124.678 120.200 0.130 0.000 2.277 173 E HA 0.438 4.780 4.350 -0.014 0.000 0.274 173 E C -2.542 174.156 176.600 0.165 0.000 1.022 173 E CA -2.386 54.078 56.400 0.107 0.000 0.853 173 E CB 1.385 31.117 29.700 0.053 0.000 1.086 173 E HN 0.305 nan 8.360 nan 0.000 0.397 174 P HA -0.017 nan 4.420 nan 0.000 0.264 174 P C -0.438 176.859 177.300 -0.004 0.000 1.183 174 P CA 0.395 63.597 63.100 0.170 0.000 0.763 174 P CB 0.540 32.303 31.700 0.106 0.000 0.807 175 Q N 3.548 123.247 119.800 -0.167 0.000 2.399 175 Q HA 0.323 4.655 4.340 -0.014 0.000 0.276 175 Q C -1.610 174.280 176.000 -0.183 0.000 1.098 175 Q CA -1.744 53.854 55.803 -0.343 0.000 0.827 175 Q CB 1.008 29.250 28.738 -0.828 0.000 1.386 175 Q HN 0.325 nan 8.270 nan 0.000 0.443 176 P HA 0.013 nan 4.420 nan 0.000 0.231 176 P C -0.297 176.972 177.300 -0.051 0.000 1.168 176 P CA 0.696 63.758 63.100 -0.065 0.000 0.779 176 P CB 0.792 32.459 31.700 -0.057 0.000 0.844 177 R N -0.997 119.436 120.500 -0.113 0.000 2.740 177 R HA 0.269 4.601 4.340 -0.014 0.000 0.273 177 R C 1.020 177.244 176.300 -0.127 0.000 0.998 177 R CA -1.057 54.993 56.100 -0.083 0.000 0.900 177 R CB 0.100 30.323 30.300 -0.128 0.000 1.223 177 R HN -0.063 nan 8.270 nan 0.000 0.466 178 W N 1.571 122.866 121.300 -0.009 0.000 2.402 178 W HA -0.034 4.618 4.660 -0.013 0.000 0.286 178 W C 0.078 176.613 176.519 0.026 0.000 1.221 178 W CA 1.187 58.588 57.345 0.095 0.000 1.257 178 W CB -0.404 29.103 29.460 0.079 0.000 1.120 178 W HN 0.655 nan 8.180 nan 0.000 0.551 179 E N 1.560 121.227 120.200 -0.888 0.000 2.204 179 E HA -0.122 4.219 4.350 -0.014 0.000 0.195 179 E C 2.237 178.659 176.600 -0.298 0.000 0.990 179 E CA 1.384 57.278 56.400 -0.844 0.000 0.821 179 E CB -0.762 28.370 29.700 -0.947 0.000 0.750 179 E HN 0.285 nan 8.360 nan 0.000 0.477 180 L N -0.180 120.858 121.223 -0.308 0.000 2.353 180 L HA -0.154 4.178 4.340 -0.014 0.000 0.220 180 L C 1.462 178.201 176.870 -0.217 0.000 1.133 180 L CA 0.701 55.392 54.840 -0.249 0.000 0.798 180 L CB -0.295 41.586 42.059 -0.297 0.000 0.922 180 L HN 0.215 nan 8.230 nan 0.000 0.445 181 Y N -1.830 118.427 120.300 -0.071 0.000 2.403 181 Y HA -0.248 4.295 4.550 -0.012 0.000 0.291 181 Y C 2.232 178.087 175.900 -0.075 0.000 1.143 181 Y CA 1.016 59.079 58.100 -0.062 0.000 1.257 181 Y CB -0.671 37.751 38.460 -0.064 0.000 0.984 181 Y HN 0.075 nan 8.280 nan 0.000 0.550 182 Y N 0.109 120.401 120.300 -0.012 0.000 2.256 182 Y HA -0.227 4.317 4.550 -0.011 0.000 0.288 182 Y C 2.094 177.956 175.900 -0.063 0.000 1.155 182 Y CA 1.530 59.482 58.100 -0.245 0.000 1.203 182 Y CB -0.603 37.390 38.460 -0.779 0.000 0.980 182 Y HN 0.239 nan 8.280 nan 0.000 0.530 183 I N -2.348 118.310 120.570 0.146 0.000 3.861 183 I HA 0.162 4.323 4.170 -0.014 0.000 0.329 183 I C 0.180 176.376 176.117 0.132 0.000 1.321 183 I CA -0.218 61.185 61.300 0.172 0.000 1.126 183 I CB -0.177 37.894 38.000 0.118 0.000 1.018 183 I HN -0.133 nan 8.210 nan 0.000 0.407 184 Q N 2.156 122.036 119.800 0.134 0.000 2.352 184 Q HA 0.209 4.540 4.340 -0.014 0.000 0.260 184 Q C -1.554 174.526 176.000 0.134 0.000 0.976 184 Q CA -1.454 54.422 55.803 0.121 0.000 0.881 184 Q CB 1.152 29.982 28.738 0.154 0.000 1.235 184 Q HN 0.066 nan 8.270 nan 0.000 0.419 185 P HA -0.174 nan 4.420 nan 0.000 0.215 185 P C 1.065 178.422 177.300 0.094 0.000 1.157 185 P CA 1.812 64.968 63.100 0.093 0.000 0.874 185 P CB 0.172 31.912 31.700 0.067 0.000 0.790 186 G N -0.776 108.071 108.800 0.079 0.000 2.422 186 G HA2 -0.185 3.767 3.960 -0.014 0.000 0.218 186 G HA3 -0.185 3.767 3.960 -0.014 0.000 0.218 186 G C 1.569 176.499 174.900 0.051 0.000 1.140 186 G CA 0.567 45.697 45.100 0.050 0.000 0.775 186 G HN 0.163 nan 8.290 nan 0.000 0.545 187 V N 1.288 121.269 119.914 0.112 0.000 2.323 187 V HA -0.136 3.975 4.120 -0.014 0.000 0.244 187 V C 2.940 179.236 176.094 0.338 0.000 1.041 187 V CA 1.524 63.932 62.300 0.180 0.000 1.025 187 V CB -0.364 31.600 31.823 0.234 0.000 0.656 187 V HN 0.261 nan 8.190 nan 0.000 0.451 188 M N -0.097 119.706 119.600 0.338 0.000 2.082 188 M HA -0.216 4.255 4.480 -0.014 0.000 0.258 188 M C 2.388 178.840 176.300 0.252 0.000 1.069 188 M CA 1.954 57.471 55.300 0.361 0.000 1.102 188 M CB -1.168 31.578 32.600 0.243 0.000 1.336 188 M HN 0.276 nan 8.290 nan 0.000 0.404 189 R N 0.731 121.317 120.500 0.143 0.000 2.092 189 R HA 0.018 4.350 4.340 -0.014 0.000 0.231 189 R C 2.119 178.424 176.300 0.008 0.000 1.119 189 R CA 1.865 58.016 56.100 0.084 0.000 0.970 189 R CB -0.857 29.480 30.300 0.061 0.000 0.864 189 R HN 0.328 nan 8.270 nan 0.000 0.440 190 A N -0.383 122.361 122.820 -0.127 0.000 1.908 190 A HA -0.128 4.184 4.320 -0.014 0.000 0.218 190 A C 2.074 179.296 177.584 -0.604 0.000 1.181 190 A CA 1.538 53.270 52.037 -0.508 0.000 0.627 190 A CB -0.809 17.665 19.000 -0.876 0.000 0.818 190 A HN 0.375 nan 8.150 nan 0.000 0.445 191 F N 0.541 120.355 119.950 -0.227 0.000 2.146 191 F HA -0.131 4.388 4.527 -0.013 0.000 0.298 191 F C 2.100 178.005 175.800 0.176 0.000 1.096 191 F CA 1.694 59.719 58.000 0.042 0.000 1.275 191 F CB -0.355 38.841 39.000 0.326 0.000 1.008 191 F HN 0.197 nan 8.300 nan 0.000 0.480 192 D N -0.213 120.382 120.400 0.325 0.000 2.144 192 D HA -0.159 4.472 4.640 -0.014 0.000 0.199 192 D C 1.931 178.363 176.300 0.220 0.000 0.984 192 D CA 0.966 55.130 54.000 0.273 0.000 0.834 192 D CB -0.435 40.467 40.800 0.170 0.000 0.955 192 D HN 0.213 nan 8.370 nan 0.000 0.465 193 N N -0.003 118.778 118.700 0.136 0.000 2.171 193 N HA -0.118 4.614 4.740 -0.014 0.000 0.184 193 N C 1.701 177.279 175.510 0.113 0.000 1.021 193 N CA 0.285 53.410 53.050 0.125 0.000 0.854 193 N CB -0.497 38.009 38.487 0.031 0.000 0.994 193 N HN 0.182 nan 8.380 nan 0.000 0.426 194 F N 0.404 120.303 119.950 -0.085 0.000 2.095 194 F HA -0.167 4.353 4.527 -0.013 0.000 0.298 194 F C 1.603 177.336 175.800 -0.112 0.000 1.104 194 F CA 1.511 59.434 58.000 -0.129 0.000 1.232 194 F CB -0.525 38.320 39.000 -0.258 0.000 0.987 194 F HN 0.050 nan 8.300 nan 0.000 0.475 195 W N 0.210 121.622 121.300 0.187 0.000 3.077 195 W HA 0.041 4.693 4.660 -0.013 0.000 0.245 195 W C 1.019 177.553 176.519 0.025 0.000 1.316 195 W CA 0.442 57.837 57.345 0.083 0.000 1.537 195 W CB -0.609 29.002 29.460 0.251 0.000 1.131 195 W HN 0.127 nan 8.180 nan 0.000 0.695 196 N N -0.264 118.552 118.700 0.193 0.000 2.741 196 N HA -0.216 4.516 4.740 -0.014 0.000 0.250 196 N C 0.589 176.187 175.510 0.147 0.000 1.115 196 N CA 1.524 54.660 53.050 0.143 0.000 0.724 196 N CB -1.343 37.198 38.487 0.090 0.000 1.090 196 N HN 0.034 nan 8.380 nan 0.000 0.558 197 T N -1.929 112.741 114.554 0.192 0.000 2.833 197 T HA -0.153 4.189 4.350 -0.014 0.000 0.269 197 T C 1.794 176.550 174.700 0.094 0.000 1.054 197 T CA 2.012 64.195 62.100 0.139 0.000 1.135 197 T CB -0.412 68.547 68.868 0.152 0.000 0.869 197 T HN 0.676 nan 8.240 nan 0.000 0.466 198 T N -1.097 113.516 114.554 0.098 0.000 3.055 198 T HA 0.299 4.641 4.350 -0.014 0.000 0.265 198 T C 1.977 176.696 174.700 0.033 0.000 1.111 198 T CA 0.917 63.056 62.100 0.065 0.000 1.118 198 T CB -0.380 68.535 68.868 0.079 0.000 0.909 198 T HN 0.510 nan 8.240 nan 0.000 0.501 199 G N 1.781 110.602 108.800 0.034 0.000 2.184 199 G HA2 -0.323 3.629 3.960 -0.014 0.000 0.264 199 G HA3 -0.323 3.629 3.960 -0.014 0.000 0.264 199 G C 0.835 175.704 174.900 -0.053 0.000 0.975 199 G CA 0.585 45.686 45.100 0.002 0.000 0.642 199 G HN 0.594 nan 8.290 nan 0.000 0.536 200 K N -0.352 119.991 120.400 -0.095 0.000 2.379 200 K HA 0.148 4.460 4.320 -0.014 0.000 0.194 200 K C 0.370 176.598 176.600 -0.620 0.000 1.031 200 K CA 0.385 56.482 56.287 -0.316 0.000 1.037 200 K CB 0.315 32.613 32.500 -0.337 0.000 0.824 200 K HN 0.539 nan 8.250 nan 0.000 0.516 201 H N 0.392 119.424 119.070 -0.064 0.000 2.597 201 H HA 0.129 4.677 4.556 -0.013 0.000 0.225 201 H C -2.172 173.156 175.328 0.001 0.000 1.422 201 H CA -1.464 54.549 56.048 -0.057 0.000 1.335 201 H CB 1.062 30.760 29.762 -0.106 0.000 1.783 201 H HN 0.002 nan 8.280 nan 0.000 0.513 202 P HA -0.154 nan 4.420 nan 0.000 0.222 202 P C 1.437 178.803 177.300 0.110 0.000 1.147 202 P CA 0.996 64.138 63.100 0.070 0.000 0.790 202 P CB 0.442 32.169 31.700 0.044 0.000 0.780 203 E N 0.735 121.044 120.200 0.182 0.000 2.274 203 E HA -0.097 4.244 4.350 -0.014 0.000 0.194 203 E C 2.003 178.847 176.600 0.406 0.000 0.996 203 E CA 0.610 57.179 56.400 0.282 0.000 0.840 203 E CB -1.196 28.724 29.700 0.367 0.000 0.772 203 E HN 0.289 nan 8.360 nan 0.000 0.491 204 L N 0.743 122.157 121.223 0.319 0.000 2.056 204 L HA -0.114 4.218 4.340 -0.014 0.000 0.207 204 L C 2.690 179.682 176.870 0.202 0.000 1.078 204 L CA 0.839 55.910 54.840 0.385 0.000 0.749 204 L CB -0.353 41.879 42.059 0.288 0.000 0.901 204 L HN -0.007 nan 8.230 nan 0.000 0.433 205 V N -0.039 119.784 119.914 -0.152 0.000 2.490 205 V HA -0.250 3.861 4.120 -0.014 0.000 0.250 205 V C 2.331 178.508 176.094 0.138 0.000 1.061 205 V CA 1.642 63.846 62.300 -0.159 0.000 1.064 205 V CB -0.442 31.257 31.823 -0.206 0.000 0.670 205 V HN 0.470 nan 8.190 nan 0.000 0.461 206 E N -0.983 119.317 120.200 0.166 0.000 2.077 206 E HA -0.218 4.124 4.350 -0.014 0.000 0.193 206 E C 2.222 178.956 176.600 0.224 0.000 0.989 206 E CA 1.365 57.861 56.400 0.159 0.000 0.800 206 E CB -0.228 29.531 29.700 0.099 0.000 0.746 206 E HN 0.682 nan 8.360 nan 0.000 0.452 207 H N -0.668 118.615 119.070 0.355 0.000 2.353 207 H HA -0.152 4.397 4.556 -0.013 0.000 0.300 207 H C 2.019 177.602 175.328 0.425 0.000 1.090 207 H CA 1.534 57.888 56.048 0.510 0.000 1.327 207 H CB -0.244 30.033 29.762 0.858 0.000 1.383 207 H HN 0.245 nan 8.280 nan 0.000 0.508 208 Y N 1.240 121.668 120.300 0.214 0.000 2.128 208 Y HA -0.244 4.297 4.550 -0.015 0.000 0.284 208 Y C 2.734 178.650 175.900 0.027 0.000 1.154 208 Y CA 1.565 59.515 58.100 -0.251 0.000 1.149 208 Y CB -0.336 37.947 38.460 -0.294 0.000 0.976 208 Y HN 0.162 nan 8.280 nan 0.000 0.505 209 A N 0.094 123.081 122.820 0.279 0.000 1.902 209 A HA -0.209 4.103 4.320 -0.014 0.000 0.217 209 A C 2.168 179.850 177.584 0.164 0.000 1.181 209 A CA 2.038 54.218 52.037 0.237 0.000 0.623 209 A CB -0.524 18.598 19.000 0.203 0.000 0.818 209 A HN 0.514 nan 8.150 nan 0.000 0.443 210 K N -0.424 120.074 120.400 0.164 0.000 2.217 210 K HA 0.094 4.406 4.320 -0.014 0.000 0.202 210 K C 2.223 178.838 176.600 0.025 0.000 1.051 210 K CA 0.766 57.136 56.287 0.137 0.000 0.952 210 K CB -0.222 32.406 32.500 0.213 0.000 0.736 210 K HN 0.439 nan 8.250 nan 0.000 0.453 211 A N 0.670 123.534 122.820 0.073 0.000 1.902 211 A HA -0.163 4.149 4.320 -0.014 0.000 0.217 211 A C 1.805 179.226 177.584 -0.271 0.000 1.181 211 A CA 1.017 52.989 52.037 -0.107 0.000 0.623 211 A CB -0.830 18.188 19.000 0.030 0.000 0.818 211 A HN 0.449 nan 8.150 nan 0.000 0.443 212 W N -0.162 120.969 121.300 -0.282 0.000 2.358 212 W HA -0.139 4.514 4.660 -0.012 0.000 0.303 212 W C 2.619 178.991 176.519 -0.244 0.000 1.208 212 W CA 1.548 58.727 57.345 -0.278 0.000 1.274 212 W CB -0.018 29.293 29.460 -0.248 0.000 1.138 212 W HN 0.309 nan 8.180 nan 0.000 0.515 213 R N 0.575 121.120 120.500 0.075 0.000 2.091 213 R HA -0.215 4.117 4.340 -0.014 0.000 0.238 213 R C 2.127 178.378 176.300 -0.081 0.000 1.136 213 R CA 1.827 57.931 56.100 0.006 0.000 0.959 213 R CB -0.614 29.690 30.300 0.008 0.000 0.856 213 R HN 0.164 nan 8.270 nan 0.000 0.437 214 A N 0.242 122.912 122.820 -0.250 0.000 1.902 214 A HA -0.097 4.214 4.320 -0.014 0.000 0.217 214 A C 2.276 179.769 177.584 -0.151 0.000 1.181 214 A CA 1.581 53.420 52.037 -0.330 0.000 0.623 214 A CB -0.489 18.004 19.000 -0.845 0.000 0.818 214 A HN 0.232 nan 8.150 nan 0.000 0.443 215 V N -0.134 119.708 119.914 -0.121 0.000 2.295 215 V HA -0.247 3.865 4.120 -0.014 0.000 0.246 215 V C 3.052 179.224 176.094 0.130 0.000 1.049 215 V CA 1.974 64.284 62.300 0.018 0.000 1.024 215 V CB -1.272 30.462 31.823 -0.148 0.000 0.648 215 V HN 0.606 nan 8.190 nan 0.000 0.447 216 A N -0.278 122.553 122.820 0.019 0.000 1.972 216 A HA -0.277 4.034 4.320 -0.014 0.000 0.219 216 A C 2.056 179.724 177.584 0.139 0.000 1.169 216 A CA 2.007 54.082 52.037 0.062 0.000 0.635 216 A CB -0.629 18.375 19.000 0.006 0.000 0.810 216 A HN 0.553 nan 8.150 nan 0.000 0.446 217 D N -0.601 119.828 120.400 0.048 0.000 2.144 217 D HA -0.150 4.481 4.640 -0.014 0.000 0.200 217 D C 2.095 178.379 176.300 -0.027 0.000 0.978 217 D CA 1.193 55.203 54.000 0.017 0.000 0.833 217 D CB -0.084 40.708 40.800 -0.013 0.000 0.961 217 D HN 0.331 nan 8.370 nan 0.000 0.470 218 R N -0.822 119.624 120.500 -0.090 0.000 2.090 218 R HA 0.011 4.343 4.340 -0.014 0.000 0.228 218 R C 1.481 177.493 176.300 -0.479 0.000 1.110 218 R CA 1.204 57.107 56.100 -0.327 0.000 0.973 218 R CB -0.620 29.379 30.300 -0.503 0.000 0.869 218 R HN 0.168 nan 8.270 nan 0.000 0.440 219 F N -0.476 119.535 119.950 0.101 0.000 2.695 219 F HA 0.434 4.952 4.527 -0.015 0.000 0.303 219 F C 1.844 177.753 175.800 0.181 0.000 1.091 219 F CA 0.202 58.296 58.000 0.156 0.000 1.300 219 F CB 0.019 39.170 39.000 0.252 0.000 1.071 219 F HN 0.093 nan 8.300 nan 0.000 0.578 220 A N -0.131 122.844 122.820 0.258 0.000 1.940 220 A HA -0.194 4.118 4.320 -0.014 0.000 0.219 220 A C 1.535 179.198 177.584 0.131 0.000 1.176 220 A CA 2.106 54.264 52.037 0.201 0.000 0.631 220 A CB -0.491 18.591 19.000 0.136 0.000 0.814 220 A HN 0.186 nan 8.150 nan 0.000 0.446 221 D N -0.305 120.149 120.400 0.090 0.000 2.358 221 D HA 0.052 4.683 4.640 -0.014 0.000 0.224 221 D C -0.111 176.236 176.300 0.078 0.000 1.123 221 D CA -0.053 53.986 54.000 0.065 0.000 0.833 221 D CB -0.219 40.599 40.800 0.031 0.000 0.946 221 D HN 0.278 nan 8.370 nan 0.000 0.505 222 N N 1.778 120.557 118.700 0.131 0.000 2.420 222 N HA -0.019 4.712 4.740 -0.014 0.000 0.249 222 N C 0.434 176.026 175.510 0.136 0.000 1.033 222 N CA -0.183 52.961 53.050 0.156 0.000 0.944 222 N CB 1.227 39.892 38.487 0.297 0.000 1.113 222 N HN -0.085 nan 8.380 nan 0.000 0.502 223 D N 2.581 123.044 120.400 0.105 0.000 2.378 223 D HA -0.048 4.584 4.640 -0.014 0.000 0.227 223 D C 1.076 177.439 176.300 0.105 0.000 1.012 223 D CA 0.380 54.436 54.000 0.094 0.000 0.905 223 D CB 0.090 40.936 40.800 0.076 0.000 0.895 223 D HN 0.388 nan 8.370 nan 0.000 0.532 224 A N 0.038 122.929 122.820 0.118 0.000 2.169 224 A HA 0.274 4.585 4.320 -0.014 0.000 0.210 224 A C 0.868 178.519 177.584 0.111 0.000 1.168 224 A CA -0.184 51.929 52.037 0.126 0.000 0.813 224 A CB 0.275 19.358 19.000 0.139 0.000 0.861 224 A HN 0.137 nan 8.150 nan 0.000 0.481 225 V N 1.562 121.536 119.914 0.099 0.000 2.461 225 V HA 0.208 4.320 4.120 -0.014 0.000 0.275 225 V C 1.320 177.442 176.094 0.046 0.000 1.047 225 V CA 0.451 62.785 62.300 0.056 0.000 0.955 225 V CB 1.239 33.104 31.823 0.071 0.000 0.988 225 V HN 0.427 nan 8.190 nan 0.000 0.471 226 V N 1.788 121.737 119.914 0.057 0.000 3.635 226 V HA 0.783 4.895 4.120 -0.014 0.000 0.266 226 V C 0.519 176.650 176.094 0.063 0.000 1.316 226 V CA 0.635 62.990 62.300 0.091 0.000 1.060 226 V CB 0.269 32.167 31.823 0.124 0.000 0.820 226 V HN 0.901 nan 8.190 nan 0.000 0.447 227 A N -0.506 122.294 122.820 -0.033 0.000 2.574 227 A HA 0.819 5.131 4.320 -0.014 0.000 0.297 227 A C -2.001 175.555 177.584 -0.048 0.000 1.062 227 A CA -0.435 51.593 52.037 -0.015 0.000 0.686 227 A CB 1.301 20.389 19.000 0.146 0.000 1.285 227 A HN 0.252 nan 8.150 nan 0.000 0.403 228 Y N 1.110 121.460 120.300 0.083 0.000 2.345 228 Y HA 0.429 4.971 4.550 -0.014 0.000 0.331 228 Y C -0.210 175.644 175.900 -0.076 0.000 0.959 228 Y CA -1.382 56.698 58.100 -0.034 0.000 1.204 228 Y CB 1.733 39.943 38.460 -0.417 0.000 1.135 228 Y HN 0.681 nan 8.280 nan 0.000 0.477 229 D N 4.057 124.632 120.400 0.292 0.000 2.411 229 D HA 0.191 4.822 4.640 -0.014 0.000 0.225 229 D C 0.778 177.290 176.300 0.354 0.000 1.156 229 D CA 0.081 54.238 54.000 0.261 0.000 0.874 229 D CB 0.836 41.828 40.800 0.320 0.000 1.034 229 D HN 0.613 nan 8.370 nan 0.000 0.502 230 L N 2.728 124.047 121.223 0.160 0.000 2.093 230 L HA 0.025 4.356 4.340 -0.014 0.000 0.208 230 L C 1.280 178.581 176.870 0.718 0.000 1.085 230 L CA 0.742 55.741 54.840 0.265 0.000 0.755 230 L CB -0.195 41.911 42.059 0.079 0.000 0.904 230 L HN 0.458 nan 8.230 nan 0.000 0.435 231 M N -0.372 119.567 119.600 0.566 0.000 2.274 231 M HA 0.235 4.707 4.480 -0.014 0.000 0.272 231 M C -1.175 175.331 176.300 0.344 0.000 1.053 231 M CA -0.549 55.060 55.300 0.515 0.000 0.978 231 M CB 1.908 34.822 32.600 0.523 0.000 1.836 231 M HN -0.148 nan 8.290 nan 0.000 0.484 232 N N 3.498 122.334 118.700 0.227 0.000 2.468 232 N HA 0.045 4.777 4.740 -0.014 0.000 0.265 232 N C -0.801 174.770 175.510 0.101 0.000 1.199 232 N CA 1.102 54.208 53.050 0.095 0.000 0.928 232 N CB 0.439 38.752 38.487 -0.290 0.000 1.059 232 N HN 0.755 nan 8.380 nan 0.000 0.467 233 E N 0.309 120.543 120.200 0.057 0.000 2.246 233 E HA -0.204 4.138 4.350 -0.014 0.000 0.173 233 E C -2.124 174.584 176.600 0.182 0.000 1.532 233 E CA -0.117 56.323 56.400 0.067 0.000 0.672 233 E CB -1.173 28.577 29.700 0.084 0.000 1.078 233 E HN 0.591 nan 8.360 nan 0.000 0.338 234 P HA -0.007 nan 4.420 nan 0.000 0.264 234 P C -0.685 176.810 177.300 0.326 0.000 1.183 234 P CA 0.524 63.883 63.100 0.432 0.000 0.763 234 P CB 0.277 32.242 31.700 0.441 0.000 0.807 235 F N 2.074 122.012 119.950 -0.019 0.000 2.547 235 F HA 0.570 5.090 4.527 -0.013 0.000 0.316 235 F C 0.926 176.251 175.800 -0.791 0.000 1.121 235 F CA -0.488 57.170 58.000 -0.570 0.000 0.911 235 F CB 1.631 40.040 39.000 -0.986 0.000 1.179 235 F HN 0.351 nan 8.300 nan 0.000 0.443 236 G N 2.818 110.475 108.800 -1.906 0.000 2.985 236 G HA2 0.377 4.328 3.960 -0.014 0.000 0.209 236 G HA3 0.377 4.328 3.960 -0.014 0.000 0.209 236 G C 0.930 175.204 174.900 -1.043 0.000 1.165 236 G CA 0.436 44.256 45.100 -2.133 0.000 0.776 236 G HN 1.462 nan 8.290 nan 0.000 0.541 237 G N 0.561 108.593 108.800 -1.280 0.000 2.565 237 G HA2 -0.366 3.585 3.960 -0.014 0.000 0.295 237 G HA3 -0.366 3.585 3.960 -0.014 0.000 0.295 237 G C 1.474 176.124 174.900 -0.417 0.000 1.165 237 G CA 0.706 45.510 45.100 -0.493 0.000 0.977 237 G HN 0.586 nan 8.290 nan 0.000 0.546 238 S N -0.052 115.551 115.700 -0.162 0.000 2.481 238 S HA 0.182 4.644 4.470 -0.014 0.000 0.231 238 S C 0.813 175.308 174.600 -0.174 0.000 0.996 238 S CA 1.195 59.324 58.200 -0.119 0.000 0.942 238 S CB -0.034 63.150 63.200 -0.027 0.000 0.768 238 S HN 0.674 nan 8.310 nan 0.000 0.520 239 L N 2.664 123.731 121.223 -0.261 0.000 2.282 239 L HA 0.446 4.778 4.340 -0.014 0.000 0.288 239 L C -0.650 175.997 176.870 -0.372 0.000 1.033 239 L CA 0.147 54.848 54.840 -0.232 0.000 0.807 239 L CB 1.059 43.031 42.059 -0.144 0.000 1.209 239 L HN -0.045 nan 8.230 nan 0.000 0.423 240 Q N 3.499 123.170 119.800 -0.215 0.000 2.359 240 Q HA 0.719 5.051 4.340 -0.014 0.000 0.274 240 Q C 0.056 176.019 176.000 -0.061 0.000 1.074 240 Q CA -0.042 55.638 55.803 -0.205 0.000 0.810 240 Q CB 2.156 30.780 28.738 -0.191 0.000 1.342 240 Q HN 0.941 nan 8.270 nan 0.000 0.427 241 G N 2.626 111.422 108.800 -0.007 0.000 2.632 241 G HA2 -0.217 3.734 3.960 -0.014 0.000 0.224 241 G HA3 -0.217 3.734 3.960 -0.014 0.000 0.224 241 G C -2.091 172.824 174.900 0.025 0.000 1.341 241 G CA -0.342 44.768 45.100 0.016 0.000 0.880 241 G HN 0.459 nan 8.290 nan 0.000 0.566 242 P HA -0.050 nan 4.420 nan 0.000 0.217 242 P C 2.218 179.488 177.300 -0.050 0.000 1.148 242 P CA 3.203 66.285 63.100 -0.030 0.000 0.828 242 P CB -0.203 31.483 31.700 -0.023 0.000 0.783 243 A N -1.382 121.421 122.820 -0.029 0.000 1.933 243 A HA -0.209 4.103 4.320 -0.014 0.000 0.218 243 A C 2.054 179.613 177.584 -0.042 0.000 1.175 243 A CA 1.360 53.376 52.037 -0.035 0.000 0.628 243 A CB -1.701 17.287 19.000 -0.021 0.000 0.814 243 A HN 0.177 nan 8.150 nan 0.000 0.444 244 F N 1.014 120.846 119.950 -0.197 0.000 2.098 244 F HA -0.068 4.451 4.527 -0.014 0.000 0.294 244 F C 2.095 177.706 175.800 -0.315 0.000 1.107 244 F CA 1.970 59.786 58.000 -0.306 0.000 1.234 244 F CB -0.582 38.195 39.000 -0.372 0.000 1.002 244 F HN 0.353 nan 8.300 nan 0.000 0.472 245 E N 0.255 120.146 120.200 -0.515 0.000 2.077 245 E HA -0.153 4.189 4.350 -0.014 0.000 0.193 245 E C 2.150 178.508 176.600 -0.403 0.000 0.989 245 E CA 1.172 57.224 56.400 -0.580 0.000 0.800 245 E CB -0.425 29.127 29.700 -0.247 0.000 0.746 245 E HN 0.470 nan 8.360 nan 0.000 0.452 246 A N 0.744 123.415 122.820 -0.247 0.000 2.218 246 A HA 0.187 4.499 4.320 -0.014 0.000 0.209 246 A C 1.593 179.080 177.584 -0.162 0.000 1.168 246 A CA 0.835 52.774 52.037 -0.163 0.000 0.804 246 A CB 0.009 18.949 19.000 -0.099 0.000 0.834 246 A HN 0.279 nan 8.150 nan 0.000 0.482 247 G N -0.000 108.672 108.800 -0.213 0.000 2.992 247 G HA2 0.279 4.231 3.960 -0.014 0.000 0.201 247 G HA3 0.279 4.231 3.960 -0.014 0.000 0.201 247 G C -0.812 173.965 174.900 -0.204 0.000 2.057 247 G CA 0.498 45.503 45.100 -0.159 0.000 0.800 247 G HN 0.202 nan 8.290 nan 0.000 0.700 248 P HA -0.019 nan 4.420 nan 0.000 0.221 248 P C 2.073 179.163 177.300 -0.349 0.000 1.150 248 P CA 0.575 63.580 63.100 -0.158 0.000 0.800 248 P CB 0.125 31.828 31.700 0.006 0.000 0.787 249 L N 0.722 121.428 121.223 -0.863 0.000 1.976 249 L HA -0.041 4.291 4.340 -0.014 0.000 0.209 249 L C 2.567 179.047 176.870 -0.650 0.000 1.071 249 L CA 2.274 56.505 54.840 -1.015 0.000 0.746 249 L CB -1.654 39.504 42.059 -1.502 0.000 0.890 249 L HN -0.083 nan 8.230 nan 0.000 0.432 250 A N -0.518 122.051 122.820 -0.418 0.000 1.940 250 A HA -0.126 4.186 4.320 -0.014 0.000 0.219 250 A C 2.421 179.980 177.584 -0.043 0.000 1.176 250 A CA 1.918 53.879 52.037 -0.128 0.000 0.631 250 A CB -1.195 17.756 19.000 -0.082 0.000 0.814 250 A HN 0.617 nan 8.150 nan 0.000 0.446 251 A N -0.871 121.905 122.820 -0.074 0.000 1.930 251 A HA -0.112 4.199 4.320 -0.014 0.000 0.217 251 A C 2.198 179.818 177.584 0.060 0.000 1.175 251 A CA 1.890 53.929 52.037 0.004 0.000 0.627 251 A CB -0.492 18.509 19.000 0.003 0.000 0.815 251 A HN 0.534 nan 8.150 nan 0.000 0.443 252 M N -1.237 118.402 119.600 0.065 0.000 2.117 252 M HA -0.136 4.336 4.480 -0.014 0.000 0.262 252 M C 1.850 178.289 176.300 0.232 0.000 1.065 252 M CA 1.843 57.237 55.300 0.158 0.000 1.114 252 M CB -0.794 31.964 32.600 0.263 0.000 1.361 252 M HN 0.466 nan 8.290 nan 0.000 0.408 253 Y N 0.658 121.034 120.300 0.127 0.000 2.224 253 Y HA -0.212 4.329 4.550 -0.014 0.000 0.289 253 Y C 2.692 178.622 175.900 0.050 0.000 1.146 253 Y CA 1.696 59.847 58.100 0.086 0.000 1.182 253 Y CB -1.368 37.122 38.460 0.051 0.000 0.983 253 Y HN 0.378 nan 8.280 nan 0.000 0.524 254 Q N 0.665 120.586 119.800 0.202 0.000 2.046 254 Q HA -0.153 4.179 4.340 -0.014 0.000 0.200 254 Q C 2.457 178.516 176.000 0.098 0.000 0.975 254 Q CA 1.729 57.599 55.803 0.112 0.000 0.836 254 Q CB -0.278 28.504 28.738 0.073 0.000 0.896 254 Q HN 0.365 nan 8.270 nan 0.000 0.428 255 R N -1.050 119.517 120.500 0.112 0.000 2.081 255 R HA -0.114 4.218 4.340 -0.014 0.000 0.235 255 R C 1.840 178.210 176.300 0.116 0.000 1.131 255 R CA 1.900 58.063 56.100 0.105 0.000 0.960 255 R CB -0.321 30.047 30.300 0.113 0.000 0.856 255 R HN 0.311 nan 8.270 nan 0.000 0.436 256 T N -0.160 114.486 114.554 0.154 0.000 2.812 256 T HA -0.074 4.268 4.350 -0.014 0.000 0.264 256 T C 1.691 176.420 174.700 0.048 0.000 1.042 256 T CA 1.704 63.885 62.100 0.136 0.000 1.140 256 T CB -0.251 68.737 68.868 0.200 0.000 0.870 256 T HN 0.357 nan 8.240 nan 0.000 0.445 257 T N 2.229 116.807 114.554 0.040 0.000 2.684 257 T HA -0.139 4.203 4.350 -0.014 0.000 0.267 257 T C 1.697 176.408 174.700 0.017 0.000 1.036 257 T CA 1.411 63.513 62.100 0.004 0.000 1.148 257 T CB -0.506 68.365 68.868 0.004 0.000 0.863 257 T HN 0.338 nan 8.240 nan 0.000 0.436 258 D N 1.225 121.645 120.400 0.034 0.000 2.117 258 D HA -0.019 4.613 4.640 -0.014 0.000 0.197 258 D C 2.330 178.652 176.300 0.037 0.000 0.987 258 D CA 1.246 55.265 54.000 0.031 0.000 0.829 258 D CB -0.498 40.324 40.800 0.037 0.000 0.961 258 D HN 0.418 nan 8.370 nan 0.000 0.460 259 A N 0.666 123.517 122.820 0.051 0.000 1.873 259 A HA -0.112 4.200 4.320 -0.014 0.000 0.215 259 A C 2.387 180.000 177.584 0.048 0.000 1.186 259 A CA 0.804 52.874 52.037 0.056 0.000 0.616 259 A CB -0.718 18.330 19.000 0.080 0.000 0.823 259 A HN 0.179 nan 8.150 nan 0.000 0.442 260 I N -0.728 119.867 120.570 0.042 0.000 2.208 260 I HA -0.240 3.922 4.170 -0.014 0.000 0.245 260 I C 2.314 178.466 176.117 0.058 0.000 1.097 260 I CA 1.038 62.366 61.300 0.046 0.000 1.363 260 I CB -0.228 37.784 38.000 0.020 0.000 1.051 260 I HN 0.196 nan 8.210 nan 0.000 0.413 261 R N 0.745 121.267 120.500 0.037 0.000 2.316 261 R HA -0.071 4.261 4.340 -0.014 0.000 0.202 261 R C 1.886 178.201 176.300 0.025 0.000 1.029 261 R CA 0.538 56.654 56.100 0.025 0.000 1.018 261 R CB -0.361 29.941 30.300 0.004 0.000 0.888 261 R HN 0.582 nan 8.270 nan 0.000 0.471 262 Q N 0.056 119.875 119.800 0.031 0.000 2.291 262 Q HA -0.069 4.263 4.340 -0.014 0.000 0.205 262 Q C 1.716 177.735 176.000 0.032 0.000 0.970 262 Q CA 1.516 57.337 55.803 0.029 0.000 0.876 262 Q CB 0.350 29.107 28.738 0.032 0.000 0.935 262 Q HN 0.283 nan 8.270 nan 0.000 0.455 263 V N -4.646 115.294 119.914 0.043 0.000 3.485 263 V HA 0.284 4.396 4.120 -0.014 0.000 0.280 263 V C -0.352 175.784 176.094 0.069 0.000 1.495 263 V CA -0.284 62.045 62.300 0.048 0.000 1.018 263 V CB 1.195 33.045 31.823 0.045 0.000 0.818 263 V HN -0.015 nan 8.190 nan 0.000 0.436 264 D N 0.378 120.827 120.400 0.082 0.000 2.616 264 D HA 0.312 4.944 4.640 -0.014 0.000 0.238 264 D C 0.436 176.773 176.300 0.061 0.000 1.354 264 D CA -0.156 53.909 54.000 0.108 0.000 0.970 264 D CB 2.140 43.078 40.800 0.229 0.000 1.369 264 D HN 0.010 nan 8.370 nan 0.000 0.585 265 Q N 1.670 121.483 119.800 0.022 0.000 2.354 265 Q HA 0.087 4.419 4.340 -0.014 0.000 0.203 265 Q C 0.178 176.135 176.000 -0.071 0.000 0.933 265 Q CA 0.808 56.597 55.803 -0.023 0.000 0.901 265 Q CB 0.723 29.446 28.738 -0.025 0.000 1.007 265 Q HN 0.513 nan 8.270 nan 0.000 0.495 266 D N -0.255 120.110 120.400 -0.059 0.000 2.454 266 D HA 0.050 4.682 4.640 -0.014 0.000 0.214 266 D C -0.002 176.206 176.300 -0.153 0.000 1.088 266 D CA 0.248 54.182 54.000 -0.109 0.000 0.855 266 D CB 0.531 41.306 40.800 -0.042 0.000 1.025 266 D HN -0.007 nan 8.370 nan 0.000 0.502 267 T N 1.152 115.637 114.554 -0.115 0.000 2.916 267 T HA 0.040 4.382 4.350 -0.014 0.000 0.303 267 T C 0.061 174.652 174.700 -0.183 0.000 1.025 267 T CA -0.237 61.757 62.100 -0.177 0.000 1.142 267 T CB 0.513 69.098 68.868 -0.471 0.000 0.947 267 T HN -0.019 nan 8.240 nan 0.000 0.544 268 W N 2.262 123.464 121.300 -0.164 0.000 2.251 268 W HA 0.379 5.030 4.660 -0.014 0.000 0.327 268 W C -0.201 176.245 176.519 -0.121 0.000 1.361 268 W CA -0.444 56.837 57.345 -0.106 0.000 1.234 268 W CB 0.219 29.638 29.460 -0.068 0.000 1.212 268 W HN 0.271 nan 8.180 nan 0.000 0.557 269 V N 4.918 124.890 119.914 0.096 0.000 2.364 269 V HA 0.221 4.332 4.120 -0.014 0.000 0.272 269 V C -0.124 175.993 176.094 0.039 0.000 1.036 269 V CA -0.892 61.422 62.300 0.023 0.000 0.880 269 V CB 0.405 32.201 31.823 -0.045 0.000 0.991 269 V HN 0.562 nan 8.190 nan 0.000 0.460 270 C N 5.741 125.048 119.300 0.011 0.000 2.303 270 C HA 0.736 5.188 4.460 -0.014 0.000 0.326 270 C C 0.217 175.144 174.990 -0.105 0.000 1.285 270 C CA -0.843 58.188 59.018 0.022 0.000 1.675 270 C CB 0.775 28.572 27.740 0.094 0.000 2.289 270 C HN 0.770 nan 8.230 nan 0.000 0.512 271 V N 1.041 120.868 119.914 -0.145 0.000 2.628 271 V HA 0.993 5.105 4.120 -0.014 0.000 0.306 271 V C -0.064 176.010 176.094 -0.034 0.000 1.045 271 V CA -0.484 61.582 62.300 -0.391 0.000 0.905 271 V CB 1.416 32.822 31.823 -0.695 0.000 0.997 271 V HN 1.062 nan 8.190 nan 0.000 0.436 272 A N 5.279 128.137 122.820 0.064 0.000 2.337 272 A HA 1.014 5.326 4.320 -0.014 0.000 0.331 272 A C -2.548 175.214 177.584 0.298 0.000 1.137 272 A CA -2.028 50.084 52.037 0.127 0.000 0.807 272 A CB 1.430 20.475 19.000 0.074 0.000 1.250 272 A HN 0.819 nan 8.150 nan 0.000 0.468 273 P HA 0.168 nan 4.420 nan 0.000 0.275 273 P C -0.638 176.757 177.300 0.158 0.000 1.266 273 P CA -0.365 62.871 63.100 0.226 0.000 0.793 273 P CB 0.293 32.136 31.700 0.239 0.000 1.074 274 Q N -0.236 119.645 119.800 0.136 0.000 2.349 274 Q HA 0.188 4.519 4.340 -0.014 0.000 0.287 274 Q C 0.684 176.759 176.000 0.125 0.000 1.044 274 Q CA -0.016 55.898 55.803 0.185 0.000 0.918 274 Q CB 0.323 29.210 28.738 0.247 0.000 1.242 274 Q HN 0.436 nan 8.270 nan 0.000 0.405 275 A N 4.673 127.550 122.820 0.095 0.000 1.878 275 A HA 0.046 4.358 4.320 -0.014 0.000 0.213 275 A C 1.102 178.725 177.584 0.065 0.000 1.192 275 A CA 0.106 52.184 52.037 0.068 0.000 0.619 275 A CB -0.125 18.894 19.000 0.030 0.000 0.837 275 A HN 0.894 nan 8.150 nan 0.000 0.446 276 I N 0.119 120.706 120.570 0.027 0.000 2.752 276 I HA 0.278 4.439 4.170 -0.014 0.000 0.289 276 I C 1.407 177.553 176.117 0.048 0.000 1.197 276 I CA 1.242 62.553 61.300 0.017 0.000 1.432 276 I CB 0.331 38.348 38.000 0.028 0.000 1.359 276 I HN 0.677 nan 8.210 nan 0.000 0.571 277 G N 4.674 113.507 108.800 0.055 0.000 2.990 277 G HA2 -0.344 3.608 3.960 -0.014 0.000 0.225 277 G HA3 -0.344 3.608 3.960 -0.014 0.000 0.225 277 G C 0.753 175.718 174.900 0.108 0.000 1.304 277 G CA 0.403 45.544 45.100 0.068 0.000 0.816 277 G HN 0.525 nan 8.290 nan 0.000 0.528 278 V N 1.691 121.679 119.914 0.124 0.000 2.358 278 V HA -0.142 3.970 4.120 -0.014 0.000 0.246 278 V C 2.564 178.818 176.094 0.268 0.000 1.047 278 V CA 2.590 64.994 62.300 0.173 0.000 1.035 278 V CB -0.631 31.285 31.823 0.156 0.000 0.658 278 V HN 0.504 nan 8.190 nan 0.000 0.452 279 N N 0.464 119.313 118.700 0.248 0.000 2.192 279 N HA -0.196 4.536 4.740 -0.014 0.000 0.188 279 N C 1.727 177.388 175.510 0.250 0.000 1.013 279 N CA 1.223 54.455 53.050 0.304 0.000 0.863 279 N CB -0.296 38.369 38.487 0.296 0.000 0.990 279 N HN 0.550 nan 8.380 nan 0.000 0.430 280 Q N -1.343 118.574 119.800 0.196 0.000 2.280 280 Q HA 0.373 4.704 4.340 -0.014 0.000 0.201 280 Q C 0.884 176.978 176.000 0.157 0.000 0.890 280 Q CA 0.402 56.292 55.803 0.146 0.000 0.947 280 Q CB 0.501 29.300 28.738 0.101 0.000 1.081 280 Q HN 0.359 nan 8.270 nan 0.000 0.502 281 G N -0.706 108.231 108.800 0.229 0.000 2.184 281 G HA2 -0.204 3.747 3.960 -0.014 0.000 0.206 281 G HA3 -0.204 3.747 3.960 -0.014 0.000 0.206 281 G C -0.129 174.864 174.900 0.155 0.000 0.995 281 G CA -0.483 44.756 45.100 0.232 0.000 0.651 281 G HN 0.237 nan 8.290 nan 0.000 0.511 282 L N 1.532 122.831 121.223 0.127 0.000 2.439 282 L HA 0.450 4.782 4.340 -0.014 0.000 0.261 282 L C -1.586 175.329 176.870 0.074 0.000 1.153 282 L CA -2.057 52.831 54.840 0.081 0.000 0.808 282 L CB 0.584 42.681 42.059 0.063 0.000 1.126 282 L HN -0.072 nan 8.230 nan 0.000 0.460 283 P HA 0.066 nan 4.420 nan 0.000 0.274 283 P C -0.834 176.496 177.300 0.051 0.000 1.231 283 P CA -0.367 62.751 63.100 0.030 0.000 0.790 283 P CB 1.037 32.728 31.700 -0.015 0.000 0.951 284 S N 0.308 116.050 115.700 0.070 0.000 2.541 284 S HA 0.530 4.992 4.470 -0.014 0.000 0.283 284 S C 1.128 175.756 174.600 0.047 0.000 1.196 284 S CA -0.372 57.872 58.200 0.073 0.000 1.062 284 S CB 0.047 63.319 63.200 0.120 0.000 1.009 284 S HN 0.532 nan 8.310 nan 0.000 0.502 285 G N 3.367 112.178 108.800 0.018 0.000 3.371 285 G HA2 0.227 4.179 3.960 -0.014 0.000 0.248 285 G HA3 0.227 4.179 3.960 -0.014 0.000 0.248 285 G C 0.086 174.963 174.900 -0.037 0.000 1.161 285 G CA -0.311 44.785 45.100 -0.006 0.000 0.796 285 G HN 0.614 nan 8.290 nan 0.000 0.539 286 L N 2.900 124.103 121.223 -0.034 0.000 2.490 286 L HA 0.400 4.732 4.340 -0.014 0.000 0.274 286 L C 0.823 177.647 176.870 -0.077 0.000 1.201 286 L CA 0.249 55.059 54.840 -0.048 0.000 0.869 286 L CB 0.638 42.706 42.059 0.014 0.000 1.123 286 L HN 0.150 nan 8.230 nan 0.000 0.484 287 T N 1.751 116.266 114.554 -0.065 0.000 2.949 287 T HA 0.379 4.721 4.350 -0.014 0.000 0.287 287 T C -0.180 174.484 174.700 -0.060 0.000 1.034 287 T CA -1.082 60.976 62.100 -0.071 0.000 1.018 287 T CB 0.934 69.768 68.868 -0.058 0.000 1.135 287 T HN 0.665 nan 8.240 nan 0.000 0.532 288 K N 0.787 121.146 120.400 -0.068 0.000 2.448 288 K HA 0.191 4.503 4.320 -0.014 0.000 0.278 288 K C -0.507 176.076 176.600 -0.028 0.000 1.009 288 K CA -0.434 55.816 56.287 -0.061 0.000 0.995 288 K CB 0.117 32.578 32.500 -0.064 0.000 0.917 288 K HN 0.419 nan 8.250 nan 0.000 0.481 289 I N 3.961 124.519 120.570 -0.020 0.000 2.359 289 I HA 0.148 4.310 4.170 -0.014 0.000 0.294 289 I C -0.107 176.001 176.117 -0.015 0.000 0.987 289 I CA -0.627 60.674 61.300 0.001 0.000 1.225 289 I CB 1.352 39.359 38.000 0.011 0.000 1.366 289 I HN 0.624 nan 8.210 nan 0.000 0.466 290 D N 4.431 124.826 120.400 -0.009 0.000 2.308 290 D HA 0.131 4.763 4.640 -0.014 0.000 0.251 290 D C -0.252 176.035 176.300 -0.023 0.000 1.127 290 D CA 0.072 54.061 54.000 -0.018 0.000 0.876 290 D CB 1.533 42.326 40.800 -0.012 0.000 1.176 290 D HN 0.341 nan 8.370 nan 0.000 0.446 291 D N 2.287 122.663 120.400 -0.039 0.000 2.392 291 D HA 0.171 4.803 4.640 -0.014 0.000 0.228 291 D C -1.686 174.585 176.300 -0.049 0.000 1.074 291 D CA -2.019 51.948 54.000 -0.055 0.000 0.838 291 D CB 1.763 42.509 40.800 -0.091 0.000 1.067 291 D HN 0.043 nan 8.370 nan 0.000 0.511 292 P HA -0.026 nan 4.420 nan 0.000 0.242 292 P C 0.361 177.638 177.300 -0.038 0.000 1.197 292 P CA 0.009 63.092 63.100 -0.029 0.000 0.765 292 P CB 0.015 31.705 31.700 -0.015 0.000 0.936 293 R N 0.412 120.878 120.500 -0.057 0.000 2.698 293 R HA 0.362 4.694 4.340 -0.014 0.000 0.266 293 R C 0.015 176.280 176.300 -0.059 0.000 1.026 293 R CA -0.348 55.713 56.100 -0.064 0.000 1.102 293 R CB -0.017 30.223 30.300 -0.101 0.000 0.978 293 R HN -0.121 nan 8.270 nan 0.000 0.436 294 A N 2.309 125.100 122.820 -0.048 0.000 2.462 294 A HA 0.467 4.779 4.320 -0.014 0.000 0.243 294 A C 1.094 178.647 177.584 -0.051 0.000 1.076 294 A CA 0.591 52.603 52.037 -0.041 0.000 0.773 294 A CB -0.433 18.549 19.000 -0.029 0.000 1.010 294 A HN 1.306 nan 8.150 nan 0.000 0.493 295 G N 1.310 110.084 108.800 -0.043 0.000 2.512 295 G HA2 -0.169 3.783 3.960 -0.014 0.000 0.240 295 G HA3 -0.169 3.783 3.960 -0.014 0.000 0.240 295 G C -0.127 174.738 174.900 -0.057 0.000 1.246 295 G CA 0.152 45.226 45.100 -0.044 0.000 0.919 295 G HN 1.071 nan 8.290 nan 0.000 0.577 296 Q N 0.792 120.554 119.800 -0.063 0.000 2.373 296 Q HA 0.343 4.675 4.340 -0.014 0.000 0.255 296 Q C 0.633 176.556 176.000 -0.128 0.000 0.980 296 Q CA -0.158 55.604 55.803 -0.069 0.000 0.882 296 Q CB 0.511 29.224 28.738 -0.042 0.000 1.249 296 Q HN 0.533 nan 8.270 nan 0.000 0.438 297 Q N 1.447 121.177 119.800 -0.116 0.000 2.392 297 Q HA 0.073 4.404 4.340 -0.014 0.000 0.262 297 Q C -0.233 175.567 176.000 -0.333 0.000 1.003 297 Q CA 0.619 56.323 55.803 -0.165 0.000 0.888 297 Q CB 0.597 29.280 28.738 -0.092 0.000 1.260 297 Q HN 0.388 nan 8.270 nan 0.000 0.435 298 R N 1.941 122.143 120.500 -0.497 0.000 2.835 298 R HA 0.347 4.679 4.340 -0.014 0.000 0.290 298 R C -0.709 175.357 176.300 -0.390 0.000 1.410 298 R CA -0.299 55.143 56.100 -1.096 0.000 1.590 298 R CB 0.524 29.897 30.300 -1.545 0.000 1.288 298 R HN 0.406 nan 8.270 nan 0.000 0.637 299 I N 1.103 121.667 120.570 -0.010 0.000 2.412 299 I HA 0.557 4.719 4.170 -0.014 0.000 0.296 299 I C 0.462 176.806 176.117 0.379 0.000 0.987 299 I CA -0.827 60.567 61.300 0.157 0.000 1.180 299 I CB 1.462 39.485 38.000 0.039 0.000 1.340 299 I HN 0.281 nan 8.210 nan 0.000 0.455 300 A N 5.675 128.678 122.820 0.306 0.000 2.435 300 A HA 0.708 5.020 4.320 -0.014 0.000 0.296 300 A C -1.815 175.868 177.584 0.166 0.000 1.147 300 A CA -0.482 51.671 52.037 0.192 0.000 0.775 300 A CB 1.728 20.766 19.000 0.063 0.000 1.340 300 A HN 0.533 nan 8.150 nan 0.000 0.427 301 Y N -0.087 120.196 120.300 -0.029 0.000 2.335 301 Y HA 0.502 5.044 4.550 -0.013 0.000 0.338 301 Y C -0.273 175.631 175.900 0.007 0.000 0.977 301 Y CA -1.559 56.521 58.100 -0.033 0.000 1.114 301 Y CB 1.656 40.077 38.460 -0.064 0.000 1.182 301 Y HN 0.704 nan 8.280 nan 0.000 0.463 302 C N 10.549 129.715 119.300 -0.222 0.000 3.276 302 C HA 0.471 4.922 4.460 -0.014 0.000 0.226 302 C C -2.489 172.405 174.990 -0.160 0.000 1.502 302 C CA -1.847 57.107 59.018 -0.106 0.000 1.488 302 C CB -1.320 26.467 27.740 0.079 0.000 2.014 302 C HN 0.680 nan 8.230 nan 0.000 0.492 303 P HA 0.274 nan 4.420 nan 0.000 0.276 303 P C -0.722 176.810 177.300 0.386 0.000 1.261 303 P CA 0.391 63.414 63.100 -0.127 0.000 0.800 303 P CB 0.975 32.511 31.700 -0.273 0.000 1.066 304 H N -0.949 118.288 119.070 0.278 0.000 2.737 304 H HA 0.629 5.177 4.556 -0.014 0.000 0.358 304 H C -0.857 174.594 175.328 0.204 0.000 1.187 304 H CA -1.018 55.198 56.048 0.280 0.000 1.221 304 H CB 1.778 31.759 29.762 0.365 0.000 1.799 304 H HN 0.201 nan 8.280 nan 0.000 0.568 305 L N 2.136 123.343 121.223 -0.027 0.000 2.446 305 L HA 0.271 4.602 4.340 -0.014 0.000 0.268 305 L C -2.052 174.514 176.870 -0.506 0.000 0.975 305 L CA -0.390 54.162 54.840 -0.480 0.000 0.848 305 L CB 0.475 41.853 42.059 -1.136 0.000 1.225 305 L HN 0.560 nan 8.230 nan 0.000 0.410 306 Y N 5.460 125.759 120.300 -0.002 0.000 2.628 306 Y HA 0.454 4.996 4.550 -0.013 0.000 0.354 306 Y C -2.318 173.592 175.900 0.017 0.000 1.061 306 Y CA -2.028 56.103 58.100 0.051 0.000 1.251 306 Y CB 1.147 39.661 38.460 0.089 0.000 1.098 306 Y HN 0.521 nan 8.280 nan 0.000 0.626 307 P HA -0.028 nan 4.420 nan 0.000 0.264 307 P C 0.844 178.167 177.300 0.038 0.000 1.193 307 P CA -0.007 63.113 63.100 0.034 0.000 0.763 307 P CB 1.116 32.814 31.700 -0.004 0.000 0.810 308 L N 7.548 128.798 121.223 0.046 0.000 2.093 308 L HA -0.015 4.316 4.340 -0.014 0.000 0.208 308 L C -0.941 175.936 176.870 0.011 0.000 1.085 308 L CA 2.269 57.128 54.840 0.031 0.000 0.755 308 L CB -1.877 40.200 42.059 0.029 0.000 0.904 308 L HN 0.378 nan 8.230 nan 0.000 0.435 309 P HA -0.148 nan 4.420 nan 0.000 0.218 309 P C 1.885 179.177 177.300 -0.014 0.000 1.149 309 P CA 0.943 64.045 63.100 0.004 0.000 0.817 309 P CB -0.055 31.656 31.700 0.017 0.000 0.785 310 L N -0.083 121.111 121.223 -0.049 0.000 2.083 310 L HA -0.147 4.185 4.340 -0.014 0.000 0.209 310 L C 1.918 178.739 176.870 -0.083 0.000 1.083 310 L CA 2.048 56.816 54.840 -0.120 0.000 0.752 310 L CB -1.279 40.589 42.059 -0.319 0.000 0.899 310 L HN -0.092 nan 8.230 nan 0.000 0.433 311 D N -0.506 119.873 120.400 -0.035 0.000 2.085 311 D HA -0.154 4.477 4.640 -0.014 0.000 0.199 311 D C 2.121 178.423 176.300 0.002 0.000 0.981 311 D CA 1.378 55.381 54.000 0.005 0.000 0.834 311 D CB 0.113 40.934 40.800 0.035 0.000 0.992 311 D HN 0.271 nan 8.370 nan 0.000 0.457 312 I N 1.173 121.741 120.570 -0.003 0.000 2.286 312 I HA -0.092 4.070 4.170 -0.014 0.000 0.248 312 I C 2.494 178.609 176.117 -0.003 0.000 1.115 312 I CA 1.063 62.361 61.300 -0.004 0.000 1.392 312 I CB -1.651 36.345 38.000 -0.005 0.000 1.065 312 I HN 0.079 nan 8.210 nan 0.000 0.418 313 G N -0.259 108.537 108.800 -0.007 0.000 2.813 313 G HA2 -0.109 3.843 3.960 -0.014 0.000 0.209 313 G HA3 -0.109 3.843 3.960 -0.014 0.000 0.209 313 G C 0.312 175.209 174.900 -0.006 0.000 1.150 313 G CA 0.172 45.269 45.100 -0.006 0.000 0.785 313 G HN 0.385 nan 8.290 nan 0.000 0.535 314 D N -0.536 119.859 120.400 -0.008 0.000 2.723 314 D HA -0.061 4.570 4.640 -0.014 0.000 0.236 314 D C 0.961 177.252 176.300 -0.015 0.000 1.138 314 D CA 1.773 55.769 54.000 -0.006 0.000 0.676 314 D CB -1.350 39.455 40.800 0.009 0.000 1.069 314 D HN 1.004 nan 8.370 nan 0.000 0.430 315 G N -1.011 107.772 108.800 -0.028 0.000 2.362 315 G HA2 0.279 4.230 3.960 -0.014 0.000 0.288 315 G HA3 0.279 4.230 3.960 -0.014 0.000 0.288 315 G C -1.524 173.402 174.900 0.042 0.000 1.305 315 G CA -0.628 44.466 45.100 -0.009 0.000 0.910 315 G HN 0.219 nan 8.290 nan 0.000 0.518 316 H N 0.982 120.015 119.070 -0.062 0.000 2.439 316 H HA 0.598 5.146 4.556 -0.014 0.000 0.230 316 H C -0.532 174.791 175.328 -0.008 0.000 1.420 316 H CA -0.169 55.853 56.048 -0.044 0.000 1.305 316 H CB 0.121 29.867 29.762 -0.027 0.000 1.667 316 H HN 0.385 nan 8.280 nan 0.000 0.515 317 E N 0.149 120.296 120.200 -0.088 0.000 2.446 317 E HA 0.490 4.832 4.350 -0.014 0.000 0.276 317 E C 0.767 177.311 176.600 -0.093 0.000 0.969 317 E CA -0.263 56.071 56.400 -0.110 0.000 0.800 317 E CB 1.670 31.343 29.700 -0.045 0.000 1.341 317 E HN 0.588 nan 8.360 nan 0.000 0.460 318 G N 0.645 109.397 108.800 -0.080 0.000 2.582 318 G HA2 -0.347 3.605 3.960 -0.014 0.000 0.288 318 G HA3 -0.347 3.605 3.960 -0.014 0.000 0.288 318 G C 0.718 175.583 174.900 -0.058 0.000 1.247 318 G CA 0.470 45.536 45.100 -0.056 0.000 0.972 318 G HN 0.484 nan 8.290 nan 0.000 0.557 319 L N 1.062 122.263 121.223 -0.037 0.000 2.141 319 L HA 0.329 4.660 4.340 -0.014 0.000 0.209 319 L C 3.257 180.111 176.870 -0.027 0.000 1.094 319 L CA 3.000 57.824 54.840 -0.028 0.000 0.763 319 L CB -1.039 41.010 42.059 -0.016 0.000 0.908 319 L HN 1.241 nan 8.230 nan 0.000 0.437 320 A N -0.222 122.581 122.820 -0.028 0.000 1.883 320 A HA -0.293 4.019 4.320 -0.014 0.000 0.217 320 A C 2.522 180.095 177.584 -0.018 0.000 1.186 320 A CA 1.980 54.009 52.037 -0.014 0.000 0.624 320 A CB -0.662 18.332 19.000 -0.009 0.000 0.822 320 A HN 0.510 nan 8.150 nan 0.000 0.444 321 R N -0.874 119.559 120.500 -0.112 0.000 2.073 321 R HA -0.124 4.207 4.340 -0.014 0.000 0.234 321 R C 2.189 178.428 176.300 -0.102 0.000 1.134 321 R CA 2.141 58.071 56.100 -0.283 0.000 0.952 321 R CB -0.721 29.267 30.300 -0.519 0.000 0.850 321 R HN 0.485 nan 8.270 nan 0.000 0.433 322 T N 1.344 115.858 114.554 -0.066 0.000 2.665 322 T HA -0.153 4.188 4.350 -0.014 0.000 0.268 322 T C 1.706 176.416 174.700 0.016 0.000 1.035 322 T CA 1.627 63.715 62.100 -0.020 0.000 1.151 322 T CB -0.127 68.729 68.868 -0.019 0.000 0.862 322 T HN 0.202 nan 8.240 nan 0.000 0.438 323 L N 0.338 121.573 121.223 0.019 0.000 2.179 323 L HA -0.027 4.304 4.340 -0.014 0.000 0.208 323 L C 2.874 179.782 176.870 0.062 0.000 1.096 323 L CA 0.936 55.797 54.840 0.035 0.000 0.779 323 L CB -0.839 41.234 42.059 0.024 0.000 0.922 323 L HN 0.267 nan 8.230 nan 0.000 0.443 324 T N -0.903 113.706 114.554 0.091 0.000 2.777 324 T HA -0.155 4.187 4.350 -0.014 0.000 0.266 324 T C 1.457 176.256 174.700 0.166 0.000 1.040 324 T CA 1.238 63.421 62.100 0.139 0.000 1.141 324 T CB -0.144 68.848 68.868 0.207 0.000 0.868 324 T HN 0.276 nan 8.240 nan 0.000 0.444 325 D N 0.814 121.319 120.400 0.174 0.000 2.117 325 D HA -0.060 4.571 4.640 -0.014 0.000 0.197 325 D C 2.247 178.600 176.300 0.088 0.000 0.987 325 D CA 0.680 54.761 54.000 0.135 0.000 0.829 325 D CB -0.391 40.471 40.800 0.104 0.000 0.961 325 D HN 0.177 nan 8.370 nan 0.000 0.460 326 V N 1.041 120.999 119.914 0.073 0.000 2.332 326 V HA -0.248 3.864 4.120 -0.014 0.000 0.248 326 V C 2.514 178.657 176.094 0.082 0.000 1.055 326 V CA 1.918 64.257 62.300 0.064 0.000 1.038 326 V CB -0.752 31.100 31.823 0.049 0.000 0.651 326 V HN 0.232 nan 8.190 nan 0.000 0.450 327 T N 0.289 114.896 114.554 0.088 0.000 2.684 327 T HA -0.166 4.175 4.350 -0.014 0.000 0.267 327 T C 1.802 176.583 174.700 0.135 0.000 1.036 327 T CA 1.927 64.091 62.100 0.105 0.000 1.148 327 T CB -0.309 68.609 68.868 0.084 0.000 0.863 327 T HN 0.362 nan 8.240 nan 0.000 0.436 328 I N 1.258 121.884 120.570 0.093 0.000 2.163 328 I HA -0.195 3.967 4.170 -0.014 0.000 0.243 328 I C 2.295 178.523 176.117 0.184 0.000 1.085 328 I CA 1.280 62.624 61.300 0.075 0.000 1.347 328 I CB -0.385 37.606 38.000 -0.014 0.000 1.044 328 I HN 0.139 nan 8.210 nan 0.000 0.408 329 D N 0.969 121.445 120.400 0.126 0.000 2.144 329 D HA -0.114 4.518 4.640 -0.014 0.000 0.200 329 D C 2.260 178.634 176.300 0.123 0.000 0.978 329 D CA 1.493 55.560 54.000 0.111 0.000 0.833 329 D CB -0.211 40.630 40.800 0.068 0.000 0.961 329 D HN 0.343 nan 8.370 nan 0.000 0.470 330 A N 0.213 123.111 122.820 0.131 0.000 1.902 330 A HA -0.157 4.155 4.320 -0.014 0.000 0.217 330 A C 2.170 179.849 177.584 0.158 0.000 1.181 330 A CA 1.387 53.494 52.037 0.116 0.000 0.623 330 A CB -1.288 17.774 19.000 0.105 0.000 0.818 330 A HN 0.422 nan 8.150 nan 0.000 0.443 331 W N 0.829 122.140 121.300 0.019 0.000 2.338 331 W HA -0.238 4.414 4.660 -0.014 0.000 0.304 331 W C 2.404 178.936 176.519 0.022 0.000 1.212 331 W CA 2.236 59.596 57.345 0.025 0.000 1.264 331 W CB -0.144 29.324 29.460 0.013 0.000 1.142 331 W HN 0.336 nan 8.180 nan 0.000 0.512 332 R N 0.476 121.109 120.500 0.222 0.000 2.083 332 R HA -0.182 4.149 4.340 -0.014 0.000 0.237 332 R C 2.260 178.484 176.300 -0.126 0.000 1.137 332 R CA 2.133 58.222 56.100 -0.019 0.000 0.951 332 R CB -0.853 29.521 30.300 0.123 0.000 0.851 332 R HN 0.205 nan 8.270 nan 0.000 0.434 333 A N 1.212 124.008 122.820 -0.041 0.000 1.902 333 A HA -0.165 4.147 4.320 -0.014 0.000 0.217 333 A C 1.812 179.362 177.584 -0.057 0.000 1.181 333 A CA 1.625 53.638 52.037 -0.040 0.000 0.623 333 A CB -0.584 18.408 19.000 -0.014 0.000 0.818 333 A HN 0.449 nan 8.150 nan 0.000 0.443 334 N N -0.283 118.368 118.700 -0.081 0.000 2.142 334 N HA -0.096 4.636 4.740 -0.014 0.000 0.186 334 N C 1.732 177.185 175.510 -0.094 0.000 1.023 334 N CA 1.868 54.880 53.050 -0.063 0.000 0.852 334 N CB -0.789 37.666 38.487 -0.053 0.000 0.998 334 N HN 0.476 nan 8.380 nan 0.000 0.424 335 T N 1.179 115.553 114.554 -0.300 0.000 2.746 335 T HA -0.045 4.296 4.350 -0.014 0.000 0.267 335 T C 1.993 176.614 174.700 -0.132 0.000 1.039 335 T CA 1.346 63.282 62.100 -0.274 0.000 1.142 335 T CB -0.310 68.055 68.868 -0.839 0.000 0.866 335 T HN 0.328 nan 8.240 nan 0.000 0.444 336 A N 1.074 123.803 122.820 -0.152 0.000 1.902 336 A HA -0.182 4.129 4.320 -0.014 0.000 0.217 336 A C 1.997 179.530 177.584 -0.086 0.000 1.181 336 A CA 2.314 54.290 52.037 -0.101 0.000 0.623 336 A CB -0.947 18.008 19.000 -0.075 0.000 0.818 336 A HN 0.695 nan 8.150 nan 0.000 0.443 337 H N -0.211 118.779 119.070 -0.133 0.000 2.293 337 H HA -0.091 4.457 4.556 -0.014 0.000 0.300 337 H C 2.074 177.296 175.328 -0.177 0.000 1.082 337 H CA 2.500 58.471 56.048 -0.127 0.000 1.308 337 H CB -0.480 29.219 29.762 -0.104 0.000 1.375 337 H HN 0.345 nan 8.280 nan 0.000 0.495 338 T N 0.305 114.660 114.554 -0.332 0.000 2.821 338 T HA -0.075 4.267 4.350 -0.014 0.000 0.267 338 T C 2.190 176.506 174.700 -0.640 0.000 1.046 338 T CA 1.121 62.893 62.100 -0.547 0.000 1.139 338 T CB -0.644 67.894 68.868 -0.549 0.000 0.871 338 T HN 0.563 nan 8.240 nan 0.000 0.454 339 A N 1.716 124.238 122.820 -0.496 0.000 1.972 339 A HA -0.101 4.211 4.320 -0.014 0.000 0.219 339 A C 2.377 179.810 177.584 -0.252 0.000 1.169 339 A CA 1.212 53.050 52.037 -0.331 0.000 0.635 339 A CB -0.415 18.506 19.000 -0.131 0.000 0.810 339 A HN 0.391 nan 8.150 nan 0.000 0.446 340 R N -0.746 119.599 120.500 -0.259 0.000 2.066 340 R HA -0.076 4.256 4.340 -0.014 0.000 0.232 340 R C 2.050 178.202 176.300 -0.247 0.000 1.131 340 R CA 1.447 57.417 56.100 -0.215 0.000 0.955 340 R CB -0.654 29.531 30.300 -0.191 0.000 0.851 340 R HN 0.374 nan 8.270 nan 0.000 0.432 341 V N 1.810 121.503 119.914 -0.369 0.000 2.380 341 V HA -0.243 3.869 4.120 -0.014 0.000 0.251 341 V C 2.187 178.149 176.094 -0.221 0.000 1.063 341 V CA 1.678 63.790 62.300 -0.313 0.000 1.055 341 V CB -0.410 31.177 31.823 -0.393 0.000 0.657 341 V HN 0.320 nan 8.190 nan 0.000 0.455 342 L N 0.030 121.107 121.223 -0.244 0.000 2.551 342 L HA 0.200 4.531 4.340 -0.014 0.000 0.228 342 L C 1.414 178.221 176.870 -0.105 0.000 1.153 342 L CA 0.967 55.704 54.840 -0.172 0.000 0.851 342 L CB -0.339 41.600 42.059 -0.201 0.000 0.959 342 L HN 0.585 nan 8.230 nan 0.000 0.451 343 G N -0.363 108.374 108.800 -0.105 0.000 2.247 343 G HA2 -0.159 3.793 3.960 -0.014 0.000 0.111 343 G HA3 -0.159 3.793 3.960 -0.014 0.000 0.111 343 G C -0.253 174.622 174.900 -0.042 0.000 1.045 343 G CA -0.454 44.608 45.100 -0.062 0.000 0.715 343 G HN 0.274 nan 8.290 nan 0.000 0.485 344 D N -1.510 118.849 120.400 -0.068 0.000 2.746 344 D HA -0.165 4.467 4.640 -0.014 0.000 0.241 344 D C 1.022 177.307 176.300 -0.025 0.000 1.140 344 D CA 1.447 55.416 54.000 -0.052 0.000 0.707 344 D CB -1.675 39.106 40.800 -0.031 0.000 1.034 344 D HN 1.669 nan 8.370 nan 0.000 0.423 345 V N -3.236 116.658 119.914 -0.032 0.000 2.973 345 V HA 0.764 4.875 4.120 -0.014 0.000 0.314 345 V C -2.231 173.836 176.094 -0.045 0.000 1.066 345 V CA -1.753 60.559 62.300 0.020 0.000 1.021 345 V CB 1.468 33.324 31.823 0.056 0.000 1.076 345 V HN -0.185 nan 8.190 nan 0.000 0.462 346 P HA 0.432 nan 4.420 nan 0.000 0.272 346 P C -0.776 176.442 177.300 -0.136 0.000 1.230 346 P CA 0.058 63.020 63.100 -0.230 0.000 0.788 346 P CB 0.366 31.803 31.700 -0.438 0.000 0.949 347 I N 1.987 122.461 120.570 -0.160 0.000 2.474 347 I HA 0.434 4.596 4.170 -0.014 0.000 0.294 347 I C -0.110 175.949 176.117 -0.097 0.000 1.005 347 I CA -0.583 60.672 61.300 -0.074 0.000 1.113 347 I CB 1.488 39.453 38.000 -0.058 0.000 1.289 347 I HN 0.086 nan 8.210 nan 0.000 0.436 348 I N 6.244 126.788 120.570 -0.044 0.000 2.447 348 I HA 0.218 4.380 4.170 -0.014 0.000 0.287 348 I C -0.711 175.459 176.117 0.089 0.000 1.023 348 I CA -0.847 60.450 61.300 -0.004 0.000 1.083 348 I CB 2.069 40.076 38.000 0.012 0.000 1.245 348 I HN 0.332 nan 8.210 nan 0.000 0.434 349 L N 6.626 127.922 121.223 0.122 0.000 2.454 349 L HA 0.349 4.680 4.340 -0.014 0.000 0.284 349 L C 1.185 178.185 176.870 0.217 0.000 1.139 349 L CA 0.453 55.406 54.840 0.188 0.000 0.911 349 L CB 0.450 42.556 42.059 0.080 0.000 1.262 349 L HN 0.734 nan 8.230 nan 0.000 0.453 350 G N 2.582 111.560 108.800 0.297 0.000 2.511 350 G HA2 0.013 3.965 3.960 -0.014 0.000 0.217 350 G HA3 0.013 3.965 3.960 -0.014 0.000 0.217 350 G C 0.454 175.418 174.900 0.107 0.000 1.133 350 G CA 0.672 45.955 45.100 0.304 0.000 0.792 350 G HN 0.630 nan 8.290 nan 0.000 0.539 351 S N -1.195 114.453 115.700 -0.086 0.000 2.563 351 S HA 0.585 5.047 4.470 -0.014 0.000 0.279 351 S C -1.614 172.975 174.600 -0.017 0.000 1.155 351 S CA -0.853 57.283 58.200 -0.108 0.000 0.928 351 S CB 0.765 63.618 63.200 -0.578 0.000 1.107 351 S HN 0.851 nan 8.310 nan 0.000 0.462 352 F N 1.974 121.776 119.950 -0.247 0.000 2.719 352 F HA 0.891 5.411 4.527 -0.013 0.000 0.309 352 F C -0.426 175.140 175.800 -0.389 0.000 1.138 352 F CA 0.250 57.887 58.000 -0.605 0.000 0.943 352 F CB 0.780 39.436 39.000 -0.573 0.000 1.304 352 F HN 0.989 nan 8.300 nan 0.000 0.445 353 G N 1.491 109.912 108.800 -0.631 0.000 2.313 353 G HA2 0.613 4.564 3.960 -0.014 0.000 0.296 353 G HA3 0.613 4.564 3.960 -0.014 0.000 0.296 353 G C -2.323 172.332 174.900 -0.409 0.000 1.356 353 G CA -0.343 44.343 45.100 -0.689 0.000 0.833 353 G HN 1.839 nan 8.290 nan 0.000 0.552 354 L N -2.579 118.208 121.223 -0.727 0.000 2.940 354 L HA 0.758 5.089 4.340 -0.014 0.000 0.270 354 L C -1.615 174.424 176.870 -1.384 0.000 1.030 354 L CA -1.160 52.866 54.840 -1.357 0.000 0.928 354 L CB 2.044 43.752 42.059 -0.585 0.000 1.506 354 L HN 0.547 nan 8.230 nan 0.000 0.405 355 D N 1.650 121.245 120.400 -1.341 0.000 2.389 355 D HA 0.067 4.699 4.640 -0.014 0.000 0.263 355 D C 1.238 177.401 176.300 -0.230 0.000 1.255 355 D CA 0.720 54.384 54.000 -0.561 0.000 0.914 355 D CB 1.587 42.270 40.800 -0.194 0.000 1.116 355 D HN 0.764 nan 8.370 nan 0.000 0.502 356 T N -0.273 114.229 114.554 -0.086 0.000 3.113 356 T HA -0.139 4.203 4.350 -0.014 0.000 0.263 356 T C 1.552 176.250 174.700 -0.003 0.000 1.143 356 T CA 1.214 63.301 62.100 -0.022 0.000 1.090 356 T CB -0.377 68.498 68.868 0.012 0.000 0.922 356 T HN 0.409 nan 8.240 nan 0.000 0.521 357 T N -0.275 114.281 114.554 0.002 0.000 3.100 357 T HA 0.342 4.683 4.350 -0.014 0.000 0.253 357 T C 0.697 175.404 174.700 0.011 0.000 1.118 357 T CA -0.415 61.696 62.100 0.017 0.000 1.058 357 T CB -0.573 68.316 68.868 0.034 0.000 0.953 357 T HN 0.395 nan 8.240 nan 0.000 0.515 358 L N 1.780 122.998 121.223 -0.009 0.000 2.452 358 L HA 0.360 4.691 4.340 -0.014 0.000 0.267 358 L C -2.160 174.719 176.870 0.016 0.000 1.188 358 L CA -2.427 52.409 54.840 -0.006 0.000 0.821 358 L CB -0.004 42.032 42.059 -0.039 0.000 1.102 358 L HN -0.030 nan 8.230 nan 0.000 0.470 359 P HA 0.054 nan 4.420 nan 0.000 0.264 359 P C 0.621 177.965 177.300 0.073 0.000 1.193 359 P CA 0.555 63.677 63.100 0.037 0.000 0.763 359 P CB 0.690 32.405 31.700 0.025 0.000 0.810 360 G N 2.589 111.444 108.800 0.091 0.000 2.162 360 G HA2 -0.327 3.625 3.960 -0.014 0.000 0.260 360 G HA3 -0.327 3.625 3.960 -0.014 0.000 0.260 360 G C 1.151 176.170 174.900 0.199 0.000 0.976 360 G CA 0.446 45.648 45.100 0.170 0.000 0.655 360 G HN 0.669 nan 8.290 nan 0.000 0.533 361 A N 0.154 123.043 122.820 0.114 0.000 1.902 361 A HA 0.060 4.372 4.320 -0.014 0.000 0.217 361 A C 2.190 179.858 177.584 0.140 0.000 1.181 361 A CA 2.367 54.466 52.037 0.103 0.000 0.623 361 A CB -0.463 18.562 19.000 0.042 0.000 0.818 361 A HN 0.667 nan 8.150 nan 0.000 0.443 362 R N -0.409 120.154 120.500 0.104 0.000 2.081 362 R HA -0.165 4.166 4.340 -0.014 0.000 0.235 362 R C 1.435 177.798 176.300 0.105 0.000 1.131 362 R CA 1.827 57.980 56.100 0.088 0.000 0.960 362 R CB -0.328 30.006 30.300 0.056 0.000 0.856 362 R HN 0.444 nan 8.270 nan 0.000 0.436 363 D N -0.497 119.986 120.400 0.138 0.000 2.117 363 D HA -0.208 4.424 4.640 -0.014 0.000 0.197 363 D C 1.547 177.934 176.300 0.145 0.000 0.987 363 D CA 1.175 55.270 54.000 0.158 0.000 0.829 363 D CB -0.427 40.507 40.800 0.223 0.000 0.961 363 D HN 0.293 nan 8.370 nan 0.000 0.460 364 Y N 1.410 121.684 120.300 -0.043 0.000 2.145 364 Y HA -0.181 4.361 4.550 -0.014 0.000 0.286 364 Y C 2.195 178.064 175.900 -0.052 0.000 1.145 364 Y CA 1.280 59.203 58.100 -0.295 0.000 1.148 364 Y CB -0.504 37.614 38.460 -0.570 0.000 0.981 364 Y HN -0.095 nan 8.280 nan 0.000 0.507 365 I N 0.368 120.943 120.570 0.010 0.000 2.163 365 I HA -0.321 3.841 4.170 -0.014 0.000 0.243 365 I C 2.322 178.509 176.117 0.117 0.000 1.085 365 I CA 1.959 63.347 61.300 0.146 0.000 1.347 365 I CB -0.466 37.698 38.000 0.275 0.000 1.044 365 I HN 0.299 nan 8.210 nan 0.000 0.408 366 E N 0.223 120.461 120.200 0.063 0.000 2.110 366 E HA -0.275 4.067 4.350 -0.014 0.000 0.193 366 E C 2.205 178.793 176.600 -0.021 0.000 0.988 366 E CA 0.975 57.403 56.400 0.047 0.000 0.804 366 E CB -0.108 29.609 29.700 0.028 0.000 0.745 366 E HN 0.267 nan 8.360 nan 0.000 0.458 367 R N 0.998 121.443 120.500 -0.091 0.000 2.073 367 R HA -0.131 4.201 4.340 -0.014 0.000 0.234 367 R C 2.101 178.242 176.300 -0.265 0.000 1.134 367 R CA 1.265 57.282 56.100 -0.138 0.000 0.952 367 R CB -0.666 29.573 30.300 -0.101 0.000 0.850 367 R HN -0.002 nan 8.270 nan 0.000 0.433 368 V N 0.028 119.645 119.914 -0.495 0.000 2.295 368 V HA -0.247 3.865 4.120 -0.014 0.000 0.246 368 V C 1.907 177.658 176.094 -0.572 0.000 1.049 368 V CA 1.940 63.785 62.300 -0.758 0.000 1.024 368 V CB -0.679 30.255 31.823 -1.483 0.000 0.648 368 V HN 0.324 nan 8.190 nan 0.000 0.447 369 Y N 1.221 121.319 120.300 -0.337 0.000 2.293 369 Y HA -0.058 4.484 4.550 -0.014 0.000 0.291 369 Y C 2.490 178.284 175.900 -0.177 0.000 1.137 369 Y CA 1.427 59.413 58.100 -0.190 0.000 1.202 369 Y CB -0.879 37.531 38.460 -0.083 0.000 0.990 369 Y HN 0.274 nan 8.280 nan 0.000 0.537 370 G N -1.275 107.493 108.800 -0.053 0.000 2.402 370 G HA2 -0.214 3.738 3.960 -0.014 0.000 0.216 370 G HA3 -0.214 3.738 3.960 -0.014 0.000 0.216 370 G C 1.759 176.583 174.900 -0.128 0.000 1.162 370 G CA 1.487 46.519 45.100 -0.114 0.000 0.777 370 G HN 0.295 nan 8.290 nan 0.000 0.539 371 T N 1.708 116.184 114.554 -0.129 0.000 2.708 371 T HA -0.012 4.330 4.350 -0.014 0.000 0.266 371 T C 2.833 177.496 174.700 -0.063 0.000 1.037 371 T CA 1.576 63.624 62.100 -0.087 0.000 1.146 371 T CB -0.405 68.410 68.868 -0.090 0.000 0.865 371 T HN 0.361 nan 8.240 nan 0.000 0.435 372 A N 1.757 124.511 122.820 -0.110 0.000 1.908 372 A HA -0.159 4.153 4.320 -0.014 0.000 0.218 372 A C 2.275 179.856 177.584 -0.005 0.000 1.181 372 A CA 2.051 54.054 52.037 -0.056 0.000 0.627 372 A CB -0.649 18.271 19.000 -0.134 0.000 0.818 372 A HN 0.481 nan 8.150 nan 0.000 0.445 373 R N -0.011 120.465 120.500 -0.040 0.000 2.083 373 R HA -0.190 4.142 4.340 -0.014 0.000 0.237 373 R C 1.979 178.227 176.300 -0.087 0.000 1.137 373 R CA 1.976 58.021 56.100 -0.092 0.000 0.951 373 R CB -0.383 29.643 30.300 -0.457 0.000 0.851 373 R HN 0.664 nan 8.270 nan 0.000 0.434 374 E N 0.002 120.136 120.200 -0.109 0.000 2.153 374 E HA -0.185 4.157 4.350 -0.014 0.000 0.194 374 E C 1.917 178.510 176.600 -0.013 0.000 0.988 374 E CA 1.476 57.837 56.400 -0.064 0.000 0.811 374 E CB -0.054 29.607 29.700 -0.065 0.000 0.746 374 E HN 0.468 nan 8.360 nan 0.000 0.466 375 M N -0.559 119.034 119.600 -0.011 0.000 2.619 375 M HA 0.074 4.545 4.480 -0.014 0.000 0.251 375 M C 1.062 177.334 176.300 -0.047 0.000 1.106 375 M CA 0.609 55.895 55.300 -0.023 0.000 1.086 375 M CB 0.439 33.028 32.600 -0.018 0.000 1.465 375 M HN 0.208 nan 8.290 nan 0.000 0.506 376 G N 1.450 110.262 108.800 0.020 0.000 2.249 376 G HA2 -0.197 3.755 3.960 -0.014 0.000 0.273 376 G HA3 -0.197 3.755 3.960 -0.014 0.000 0.273 376 G C -0.012 174.810 174.900 -0.129 0.000 1.036 376 G CA 0.194 45.290 45.100 -0.006 0.000 0.824 376 G HN 0.686 nan 8.290 nan 0.000 0.504 377 A N -0.358 122.449 122.820 -0.022 0.000 2.306 377 A HA 0.886 5.198 4.320 -0.014 0.000 0.314 377 A C 1.032 178.611 177.584 -0.009 0.000 1.164 377 A CA 0.489 52.498 52.037 -0.046 0.000 0.822 377 A CB 1.019 20.016 19.000 -0.005 0.000 1.130 377 A HN 1.685 nan 8.150 nan 0.000 0.496 378 G N -0.380 108.371 108.800 -0.081 0.000 2.606 378 G HA2 0.502 4.453 3.960 -0.014 0.000 0.252 378 G HA3 0.502 4.453 3.960 -0.014 0.000 0.252 378 G C -0.676 174.208 174.900 -0.027 0.000 1.206 378 G CA -0.165 44.860 45.100 -0.126 0.000 0.861 378 G HN 1.044 nan 8.290 nan 0.000 0.561 379 V N 0.179 120.123 119.914 0.049 0.000 2.733 379 V HA 0.511 4.623 4.120 -0.014 0.000 0.306 379 V C -0.357 175.942 176.094 0.341 0.000 1.084 379 V CA -0.869 61.519 62.300 0.147 0.000 0.905 379 V CB 2.016 33.862 31.823 0.038 0.000 1.010 379 V HN 1.024 nan 8.190 nan 0.000 0.424 380 S N 3.751 119.669 115.700 0.364 0.000 2.640 380 S HA 0.610 5.072 4.470 -0.014 0.000 0.320 380 S C -0.941 173.795 174.600 0.227 0.000 1.097 380 S CA -0.605 57.780 58.200 0.309 0.000 1.092 380 S CB 0.816 64.179 63.200 0.271 0.000 0.988 380 S HN 0.694 nan 8.310 nan 0.000 0.470 381 Y N 3.662 123.968 120.300 0.010 0.000 2.411 381 Y HA 0.272 4.813 4.550 -0.014 0.000 0.333 381 Y C -0.082 175.893 175.900 0.125 0.000 1.186 381 Y CA -0.312 57.756 58.100 -0.054 0.000 1.381 381 Y CB 0.535 38.854 38.460 -0.234 0.000 1.273 381 Y HN 0.836 nan 8.280 nan 0.000 0.546 382 W N 8.444 129.387 121.300 -0.594 0.000 2.317 382 W HA 0.454 5.104 4.660 -0.016 0.000 0.327 382 W C -1.183 175.316 176.519 -0.033 0.000 1.036 382 W CA -0.109 57.132 57.345 -0.175 0.000 1.419 382 W CB 0.671 30.121 29.460 -0.017 0.000 1.253 382 W HN 0.782 nan 8.180 nan 0.000 0.392 383 S N 1.527 117.171 115.700 -0.094 0.000 2.727 383 S HA 0.265 4.727 4.470 -0.014 0.000 0.278 383 S C 0.601 175.196 174.600 -0.008 0.000 1.186 383 S CA -0.032 57.958 58.200 -0.349 0.000 0.836 383 S CB 1.201 63.552 63.200 -1.414 0.000 1.186 383 S HN 0.334 nan 8.310 nan 0.000 0.499 384 S N -0.536 115.041 115.700 -0.204 0.000 2.522 384 S HA 0.117 4.579 4.470 -0.014 0.000 0.227 384 S C -0.020 174.482 174.600 -0.163 0.000 0.986 384 S CA 0.360 58.354 58.200 -0.343 0.000 0.929 384 S CB -1.060 61.914 63.200 -0.377 0.000 0.769 384 S HN 0.707 nan 8.310 nan 0.000 0.529 385 D N 3.842 124.127 120.400 -0.191 0.000 2.423 385 D HA 0.265 4.897 4.640 -0.014 0.000 0.238 385 D C -2.505 173.785 176.300 -0.017 0.000 1.142 385 D CA -0.749 53.183 54.000 -0.112 0.000 0.884 385 D CB 0.209 40.898 40.800 -0.186 0.000 1.199 385 D HN 0.203 nan 8.370 nan 0.000 0.438 386 P HA 0.294 nan 4.420 nan 0.000 0.268 386 P C 0.082 177.422 177.300 0.066 0.000 1.204 386 P CA -0.013 63.124 63.100 0.060 0.000 0.768 386 P CB 0.928 32.656 31.700 0.047 0.000 0.842 387 G N 3.549 112.410 108.800 0.102 0.000 2.361 387 G HA2 0.007 3.958 3.960 -0.014 0.000 0.331 387 G HA3 0.007 3.958 3.960 -0.014 0.000 0.331 387 G C -2.643 172.366 174.900 0.182 0.000 1.324 387 G CA -0.626 44.552 45.100 0.131 0.000 0.984 387 G HN 0.239 nan 8.290 nan 0.000 0.586 388 P HA -0.005 nan 4.420 nan 0.000 0.226 388 P C 1.115 178.588 177.300 0.287 0.000 1.153 388 P CA 1.158 64.386 63.100 0.212 0.000 0.777 388 P CB 0.097 31.911 31.700 0.190 0.000 0.794 389 W N 1.290 122.669 121.300 0.132 0.000 2.436 389 W HA 0.122 4.776 4.660 -0.011 0.000 0.284 389 W C 1.851 178.521 176.519 0.251 0.000 1.225 389 W CA 1.413 58.884 57.345 0.209 0.000 1.271 389 W CB -1.083 28.515 29.460 0.229 0.000 1.114 389 W HN -0.089 nan 8.180 nan 0.000 0.559 390 G N -0.159 108.862 108.800 0.367 0.000 2.532 390 G HA2 0.231 4.182 3.960 -0.014 0.000 0.291 390 G HA3 0.231 4.182 3.960 -0.014 0.000 0.291 390 G C -1.703 173.204 174.900 0.011 0.000 1.349 390 G CA -0.689 44.537 45.100 0.210 0.000 1.038 390 G HN -0.194 nan 8.290 nan 0.000 0.518 391 P HA 0.035 nan 4.420 nan 0.000 0.222 391 P C -0.664 176.190 177.300 -0.743 0.000 1.153 391 P CA 1.036 63.835 63.100 -0.501 0.000 0.798 391 P CB 0.180 31.461 31.700 -0.698 0.000 0.796 392 Y N -1.185 119.106 120.300 -0.016 0.000 2.477 392 Y HA 0.392 4.933 4.550 -0.014 0.000 0.347 392 Y C 0.911 176.820 175.900 0.015 0.000 0.981 392 Y CA -1.273 56.824 58.100 -0.004 0.000 1.033 392 Y CB 1.183 39.629 38.460 -0.023 0.000 1.245 392 Y HN -0.309 nan 8.280 nan 0.000 0.455 393 L N 3.626 124.946 121.223 0.162 0.000 2.475 393 L HA 0.225 4.557 4.340 -0.014 0.000 0.253 393 L C -1.383 175.547 176.870 0.101 0.000 1.198 393 L CA -1.648 53.260 54.840 0.113 0.000 0.814 393 L CB 0.493 42.604 42.059 0.087 0.000 1.134 393 L HN 0.444 nan 8.230 nan 0.000 0.478 394 P HA -0.182 nan 4.420 nan 0.000 0.217 394 P C 0.523 177.841 177.300 0.031 0.000 1.148 394 P CA 1.197 64.324 63.100 0.045 0.000 0.828 394 P CB -0.021 31.701 31.700 0.037 0.000 0.783 395 D N -2.149 118.272 120.400 0.036 0.000 2.349 395 D HA 0.077 4.708 4.640 -0.014 0.000 0.224 395 D C 1.412 177.722 176.300 0.017 0.000 1.029 395 D CA 0.640 54.652 54.000 0.020 0.000 0.879 395 D CB -0.859 39.955 40.800 0.022 0.000 0.906 395 D HN 0.241 nan 8.370 nan 0.000 0.528 396 G N 0.091 108.913 108.800 0.037 0.000 2.195 396 G HA2 -0.266 3.686 3.960 -0.014 0.000 0.246 396 G HA3 -0.266 3.686 3.960 -0.014 0.000 0.246 396 G C 0.507 175.477 174.900 0.116 0.000 0.984 396 G CA 0.406 45.516 45.100 0.018 0.000 0.633 396 G HN 0.789 nan 8.290 nan 0.000 0.525 397 T N -0.801 113.826 114.554 0.121 0.000 2.899 397 T HA 0.596 4.938 4.350 -0.014 0.000 0.295 397 T C 0.293 175.103 174.700 0.184 0.000 1.033 397 T CA -0.071 62.111 62.100 0.135 0.000 1.084 397 T CB 1.560 70.475 68.868 0.079 0.000 0.979 397 T HN 0.437 nan 8.240 nan 0.000 0.532 398 Q N 1.489 121.377 119.800 0.147 0.000 2.327 398 Q HA 0.375 4.707 4.340 -0.014 0.000 0.254 398 Q C 0.904 176.893 176.000 -0.018 0.000 0.952 398 Q CA -0.626 55.192 55.803 0.026 0.000 0.884 398 Q CB 0.917 29.660 28.738 0.007 0.000 1.224 398 Q HN 0.917 nan 8.270 nan 0.000 0.422 399 T N -1.574 112.929 114.554 -0.084 0.000 2.810 399 T HA 0.187 4.528 4.350 -0.014 0.000 0.277 399 T C 1.066 175.732 174.700 -0.056 0.000 0.973 399 T CA -0.685 61.388 62.100 -0.045 0.000 0.949 399 T CB 0.375 69.222 68.868 -0.036 0.000 1.075 399 T HN 0.544 nan 8.240 nan 0.000 0.537 400 L N -0.741 120.463 121.223 -0.031 0.000 2.456 400 L HA 0.213 4.544 4.340 -0.014 0.000 0.224 400 L C 2.005 178.841 176.870 -0.057 0.000 1.148 400 L CA 0.973 55.795 54.840 -0.030 0.000 0.825 400 L CB -1.641 40.413 42.059 -0.007 0.000 0.937 400 L HN 0.546 nan 8.230 nan 0.000 0.450 401 L N -0.563 120.605 121.223 -0.092 0.000 2.083 401 L HA -0.104 4.228 4.340 -0.014 0.000 0.209 401 L C 2.405 179.195 176.870 -0.133 0.000 1.083 401 L CA 1.476 56.230 54.840 -0.142 0.000 0.752 401 L CB -0.454 41.483 42.059 -0.204 0.000 0.899 401 L HN 0.154 nan 8.230 nan 0.000 0.433 402 V N -0.295 119.539 119.914 -0.135 0.000 2.255 402 V HA -0.340 3.771 4.120 -0.014 0.000 0.247 402 V C 2.296 178.365 176.094 -0.042 0.000 1.051 402 V CA 2.163 64.404 62.300 -0.098 0.000 1.018 402 V CB -0.757 30.991 31.823 -0.125 0.000 0.641 402 V HN 0.546 nan 8.190 nan 0.000 0.445 403 D N -0.532 119.849 120.400 -0.031 0.000 2.178 403 D HA -0.152 4.479 4.640 -0.014 0.000 0.201 403 D C 2.112 178.400 176.300 -0.019 0.000 0.980 403 D CA 1.651 55.648 54.000 -0.005 0.000 0.842 403 D CB -0.031 40.770 40.800 0.001 0.000 0.948 403 D HN 0.428 nan 8.370 nan 0.000 0.472 404 T N -0.167 114.357 114.554 -0.050 0.000 2.777 404 T HA -0.055 4.287 4.350 -0.014 0.000 0.266 404 T C 1.878 176.498 174.700 -0.134 0.000 1.040 404 T CA 0.701 62.758 62.100 -0.072 0.000 1.141 404 T CB -0.119 68.706 68.868 -0.072 0.000 0.868 404 T HN 0.184 nan 8.240 nan 0.000 0.444 405 L N 0.759 121.881 121.223 -0.167 0.000 2.341 405 L HA 0.159 4.490 4.340 -0.014 0.000 0.214 405 L C 1.188 177.997 176.870 -0.101 0.000 1.115 405 L CA 0.273 54.962 54.840 -0.252 0.000 0.820 405 L CB -0.370 41.531 42.059 -0.263 0.000 0.944 405 L HN 0.146 nan 8.230 nan 0.000 0.452 406 N N 1.724 120.428 118.700 0.006 0.000 2.895 406 N HA 0.056 4.788 4.740 -0.014 0.000 0.277 406 N C -0.723 174.901 175.510 0.191 0.000 1.185 406 N CA 0.304 53.438 53.050 0.139 0.000 1.106 406 N CB 0.120 38.690 38.487 0.138 0.000 1.422 406 N HN -0.034 nan 8.380 nan 0.000 0.521 407 K N 1.590 122.129 120.400 0.231 0.000 2.385 407 K HA 0.545 4.857 4.320 -0.014 0.000 0.248 407 K C -2.672 174.146 176.600 0.364 0.000 0.955 407 K CA -2.183 54.245 56.287 0.234 0.000 0.816 407 K CB 1.198 33.796 32.500 0.164 0.000 1.250 407 K HN 0.160 nan 8.250 nan 0.000 0.434 408 P HA 0.068 nan 4.420 nan 0.000 0.266 408 P C -1.069 176.439 177.300 0.345 0.000 1.195 408 P CA 0.235 63.435 63.100 0.166 0.000 0.768 408 P CB 0.059 31.783 31.700 0.040 0.000 0.838 409 Y N 0.130 120.436 120.300 0.011 0.000 2.592 409 Y HA 0.683 5.225 4.550 -0.014 0.000 0.334 409 Y C -3.283 172.395 175.900 -0.370 0.000 1.136 409 Y CA -3.593 54.345 58.100 -0.270 0.000 1.042 409 Y CB 0.206 38.583 38.460 -0.138 0.000 1.325 409 Y HN 0.152 nan 8.280 nan 0.000 0.457 410 P HA 0.446 nan 4.420 nan 0.000 0.281 410 P C -0.317 176.710 177.300 -0.455 0.000 1.252 410 P CA -0.288 62.467 63.100 -0.576 0.000 0.778 410 P CB 1.665 32.992 31.700 -0.622 0.000 0.895 411 R N 2.509 122.759 120.500 -0.416 0.000 2.075 411 R HA 0.380 4.711 4.340 -0.014 0.000 0.220 411 R C 0.323 176.546 176.300 -0.127 0.000 1.118 411 R CA 0.743 56.702 56.100 -0.235 0.000 0.986 411 R CB 0.196 30.354 30.300 -0.236 0.000 0.884 411 R HN 0.502 nan 8.270 nan 0.000 0.439 412 A N 0.777 123.506 122.820 -0.152 0.000 2.442 412 A HA 0.497 4.809 4.320 -0.014 0.000 0.284 412 A C -1.141 176.360 177.584 -0.139 0.000 1.058 412 A CA -0.581 51.387 52.037 -0.115 0.000 0.738 412 A CB 1.581 20.539 19.000 -0.070 0.000 1.242 412 A HN -0.033 nan 8.150 nan 0.000 0.421 413 V N 1.862 121.680 119.914 -0.160 0.000 2.435 413 V HA 0.605 4.717 4.120 -0.014 0.000 0.290 413 V C 0.884 176.903 176.094 -0.125 0.000 1.030 413 V CA -0.109 62.091 62.300 -0.167 0.000 0.881 413 V CB 1.693 33.380 31.823 -0.226 0.000 0.983 413 V HN 1.238 nan 8.190 nan 0.000 0.445 414 A N 4.096 126.858 122.820 -0.096 0.000 3.026 414 A HA 0.691 5.003 4.320 -0.014 0.000 0.272 414 A C 0.853 178.398 177.584 -0.065 0.000 1.782 414 A CA 0.666 52.662 52.037 -0.067 0.000 1.451 414 A CB -1.035 17.934 19.000 -0.052 0.000 1.081 414 A HN 1.753 nan 8.150 nan 0.000 0.611 415 G N -0.342 108.413 108.800 -0.076 0.000 2.353 415 G HA2 0.226 4.178 3.960 -0.014 0.000 0.424 415 G HA3 0.226 4.178 3.960 -0.014 0.000 0.424 415 G C -0.507 174.325 174.900 -0.113 0.000 1.320 415 G CA -0.513 44.546 45.100 -0.068 0.000 0.995 415 G HN 0.530 nan 8.290 nan 0.000 0.580 416 T N 3.466 117.969 114.554 -0.086 0.000 2.761 416 T HA 0.535 4.876 4.350 -0.014 0.000 0.296 416 T C -2.197 172.428 174.700 -0.125 0.000 0.934 416 T CA -0.406 61.618 62.100 -0.125 0.000 1.091 416 T CB 1.412 70.279 68.868 -0.001 0.000 0.896 416 T HN 0.482 nan 8.240 nan 0.000 0.515 417 P HA 0.151 nan 4.420 nan 0.000 0.276 417 P C 0.954 178.293 177.300 0.065 0.000 1.264 417 P CA -0.289 62.761 63.100 -0.084 0.000 0.769 417 P CB 0.765 32.378 31.700 -0.145 0.000 0.840 418 T N 0.288 114.896 114.554 0.089 0.000 3.009 418 T HA 0.078 4.419 4.350 -0.014 0.000 0.258 418 T C 0.374 175.153 174.700 0.133 0.000 1.063 418 T CA 0.501 62.666 62.100 0.109 0.000 1.139 418 T CB 0.171 69.081 68.868 0.070 0.000 0.890 418 T HN 0.500 nan 8.240 nan 0.000 0.471 419 E N -0.380 119.918 120.200 0.163 0.000 2.388 419 E HA 0.459 4.801 4.350 -0.014 0.000 0.280 419 E C -1.943 174.823 176.600 0.276 0.000 1.019 419 E CA -1.219 55.271 56.400 0.150 0.000 0.806 419 E CB 1.654 31.397 29.700 0.071 0.000 1.246 419 E HN 0.474 nan 8.360 nan 0.000 0.443 420 W N 1.172 122.494 121.300 0.036 0.000 3.025 420 W HA 0.733 5.384 4.660 -0.014 0.000 0.343 420 W C -1.694 174.851 176.519 0.043 0.000 1.246 420 W CA -0.624 56.742 57.345 0.034 0.000 1.178 420 W CB 0.697 30.178 29.460 0.036 0.000 1.463 420 W HN 0.687 nan 8.180 nan 0.000 0.578 421 S N 0.839 116.714 115.700 0.292 0.000 2.550 421 S HA 0.792 5.253 4.470 -0.014 0.000 0.270 421 S C -0.941 173.837 174.600 0.296 0.000 1.145 421 S CA -0.352 57.908 58.200 0.100 0.000 0.852 421 S CB 1.671 64.895 63.200 0.040 0.000 1.119 421 S HN 1.318 nan 8.310 nan 0.000 0.465 422 S N 0.155 115.985 115.700 0.216 0.000 2.550 422 S HA 0.896 5.358 4.470 -0.014 0.000 0.270 422 S C -0.451 174.238 174.600 0.148 0.000 1.145 422 S CA -0.193 58.150 58.200 0.239 0.000 0.852 422 S CB 1.299 64.712 63.200 0.356 0.000 1.119 422 S HN 1.770 nan 8.310 nan 0.000 0.465 423 T N -1.247 113.388 114.554 0.135 0.000 2.773 423 T HA 0.595 4.937 4.350 -0.014 0.000 0.278 423 T C 1.059 175.826 174.700 0.112 0.000 1.011 423 T CA -0.182 61.974 62.100 0.093 0.000 1.014 423 T CB 0.814 69.714 68.868 0.053 0.000 1.293 423 T HN 0.541 nan 8.240 nan 0.000 0.554 424 S N 1.160 116.901 115.700 0.068 0.000 2.402 424 S HA -0.084 4.378 4.470 -0.014 0.000 0.233 424 S C 0.939 175.561 174.600 0.037 0.000 1.030 424 S CA 1.756 59.994 58.200 0.063 0.000 1.003 424 S CB -0.550 62.661 63.200 0.018 0.000 0.813 424 S HN 0.955 nan 8.310 nan 0.000 0.477 425 D N -0.656 119.715 120.400 -0.048 0.000 2.673 425 D HA 0.284 4.915 4.640 -0.014 0.000 0.278 425 D C 0.093 176.293 176.300 -0.166 0.000 1.393 425 D CA -0.370 53.434 54.000 -0.325 0.000 0.805 425 D CB 0.001 40.581 40.800 -0.366 0.000 1.110 425 D HN 0.134 nan 8.370 nan 0.000 0.476 426 R N -0.223 120.362 120.500 0.142 0.000 2.629 426 R HA 0.629 4.961 4.340 -0.014 0.000 0.266 426 R C -2.301 174.137 176.300 0.231 0.000 1.051 426 R CA -0.864 55.357 56.100 0.202 0.000 0.895 426 R CB 1.606 31.957 30.300 0.086 0.000 1.246 426 R HN 0.142 nan 8.270 nan 0.000 0.459 427 L N 2.340 123.676 121.223 0.190 0.000 2.431 427 L HA 0.537 4.869 4.340 -0.014 0.000 0.266 427 L C -1.589 175.349 176.870 0.113 0.000 0.978 427 L CA -0.302 54.626 54.840 0.147 0.000 0.822 427 L CB 2.158 44.252 42.059 0.058 0.000 1.310 427 L HN 0.751 nan 8.230 nan 0.000 0.409 428 Q N 3.636 123.525 119.800 0.149 0.000 2.375 428 Q HA 0.681 5.013 4.340 -0.014 0.000 0.271 428 Q C -2.064 174.036 176.000 0.168 0.000 1.074 428 Q CA -0.809 55.064 55.803 0.118 0.000 0.808 428 Q CB 2.523 31.321 28.738 0.100 0.000 1.327 428 Q HN 0.660 nan 8.270 nan 0.000 0.441 429 L N 1.938 123.225 121.223 0.107 0.000 2.493 429 L HA 0.587 4.919 4.340 -0.014 0.000 0.265 429 L C -1.570 175.340 176.870 0.066 0.000 0.954 429 L CA 0.125 55.034 54.840 0.115 0.000 0.844 429 L CB 2.609 44.670 42.059 0.004 0.000 1.302 429 L HN 0.600 nan 8.230 nan 0.000 0.405 430 T N 6.098 120.702 114.554 0.084 0.000 2.797 430 T HA 0.713 5.055 4.350 -0.014 0.000 0.279 430 T C -0.341 174.376 174.700 0.029 0.000 0.991 430 T CA -0.114 62.014 62.100 0.048 0.000 0.979 430 T CB 0.900 69.801 68.868 0.055 0.000 0.943 430 T HN 0.463 nan 8.240 nan 0.000 0.444 431 I N 2.370 122.941 120.570 0.003 0.000 2.465 431 I HA 0.327 4.489 4.170 -0.014 0.000 0.291 431 I C 0.106 176.217 176.117 -0.010 0.000 1.014 431 I CA -0.878 60.410 61.300 -0.019 0.000 1.093 431 I CB 2.236 40.212 38.000 -0.041 0.000 1.267 431 I HN 0.519 nan 8.210 nan 0.000 0.431 432 E N 7.521 127.715 120.200 -0.010 0.000 2.152 432 E HA 0.234 4.576 4.350 -0.014 0.000 0.285 432 E C -2.260 174.334 176.600 -0.011 0.000 1.043 432 E CA -1.716 54.683 56.400 -0.002 0.000 0.839 432 E CB 0.620 30.325 29.700 0.009 0.000 1.069 432 E HN 0.272 nan 8.360 nan 0.000 0.399 433 P HA 0.009 nan 4.420 nan 0.000 0.269 433 P C -0.620 176.675 177.300 -0.009 0.000 1.215 433 P CA 0.064 63.156 63.100 -0.012 0.000 0.780 433 P CB 0.715 32.410 31.700 -0.009 0.000 0.898 434 D N 0.783 121.176 120.400 -0.012 0.000 2.323 434 D HA 0.320 4.952 4.640 -0.014 0.000 0.242 434 D C 0.769 177.065 176.300 -0.007 0.000 1.347 434 D CA -0.656 53.340 54.000 -0.006 0.000 0.988 434 D CB 0.914 41.710 40.800 -0.006 0.000 1.314 434 D HN 0.219 nan 8.370 nan 0.000 0.564 435 A N 2.703 125.520 122.820 -0.004 0.000 2.125 435 A HA 0.097 4.409 4.320 -0.014 0.000 0.219 435 A C 1.996 179.578 177.584 -0.003 0.000 1.156 435 A CA 1.562 53.597 52.037 -0.004 0.000 0.671 435 A CB -0.141 18.858 19.000 -0.003 0.000 0.794 435 A HN 0.562 nan 8.150 nan 0.000 0.459 436 A N -0.334 122.486 122.820 -0.000 0.000 2.067 436 A HA 0.185 4.497 4.320 -0.014 0.000 0.219 436 A C 0.959 178.544 177.584 0.001 0.000 1.158 436 A CA 0.362 52.401 52.037 0.002 0.000 0.661 436 A CB -0.371 18.632 19.000 0.006 0.000 0.801 436 A HN 0.470 nan 8.150 nan 0.000 0.452 437 I N 1.090 121.658 120.570 -0.003 0.000 2.352 437 I HA 0.085 4.247 4.170 -0.014 0.000 0.290 437 I C 1.508 177.620 176.117 -0.008 0.000 1.036 437 I CA 0.230 61.527 61.300 -0.005 0.000 1.336 437 I CB 1.507 39.500 38.000 -0.012 0.000 1.407 437 I HN 0.310 nan 8.210 nan 0.000 0.497 438 T N 1.729 116.279 114.554 -0.006 0.000 3.014 438 T HA 0.293 4.634 4.350 -0.014 0.000 0.250 438 T C 0.821 175.516 174.700 -0.009 0.000 1.060 438 T CA -0.151 61.945 62.100 -0.007 0.000 1.040 438 T CB 0.281 69.148 68.868 -0.003 0.000 0.971 438 T HN 0.548 nan 8.240 nan 0.000 0.497 439 A N 3.708 126.523 122.820 -0.010 0.000 2.407 439 A HA 0.589 4.900 4.320 -0.014 0.000 0.248 439 A C -2.069 175.502 177.584 -0.021 0.000 1.082 439 A CA -1.430 50.599 52.037 -0.012 0.000 0.785 439 A CB -0.061 18.934 19.000 -0.010 0.000 1.020 439 A HN 0.354 nan 8.150 nan 0.000 0.489 440 P HA 0.177 nan 4.420 nan 0.000 0.274 440 P C -0.229 177.042 177.300 -0.048 0.000 1.237 440 P CA -0.125 62.955 63.100 -0.033 0.000 0.793 440 P CB 0.346 32.031 31.700 -0.026 0.000 0.977 441 T N 1.457 115.972 114.554 -0.064 0.000 2.888 441 T HA 0.099 4.441 4.350 -0.014 0.000 0.301 441 T C 0.173 174.816 174.700 -0.095 0.000 1.001 441 T CA 0.282 62.328 62.100 -0.091 0.000 1.147 441 T CB 0.018 68.822 68.868 -0.106 0.000 0.931 441 T HN 0.414 nan 8.240 nan 0.000 0.541 442 E N 3.204 123.337 120.200 -0.112 0.000 2.176 442 E HA 0.543 4.885 4.350 -0.014 0.000 0.267 442 E C -1.115 175.379 176.600 -0.177 0.000 0.893 442 E CA -0.590 55.746 56.400 -0.107 0.000 0.761 442 E CB 0.862 30.516 29.700 -0.077 0.000 1.133 442 E HN 0.525 nan 8.360 nan 0.000 0.409 443 I N 3.876 124.339 120.570 -0.178 0.000 2.582 443 I HA 0.228 4.389 4.170 -0.014 0.000 0.292 443 I C -1.144 174.851 176.117 -0.202 0.000 1.066 443 I CA -1.129 60.010 61.300 -0.268 0.000 1.053 443 I CB 1.667 39.501 38.000 -0.276 0.000 1.241 443 I HN 0.562 nan 8.210 nan 0.000 0.421 444 Y N 6.856 126.887 120.300 -0.448 0.000 2.313 444 Y HA 0.646 5.188 4.550 -0.013 0.000 0.332 444 Y C -1.302 174.461 175.900 -0.229 0.000 1.071 444 Y CA -0.637 57.288 58.100 -0.291 0.000 1.169 444 Y CB 0.801 39.030 38.460 -0.385 0.000 1.192 444 Y HN 0.337 nan 8.280 nan 0.000 0.487 445 L N 9.554 130.295 121.223 -0.803 0.000 2.372 445 L HA 0.448 4.780 4.340 -0.014 0.000 0.274 445 L C -2.424 173.980 176.870 -0.777 0.000 0.988 445 L CA -2.254 52.059 54.840 -0.879 0.000 0.833 445 L CB 1.984 43.432 42.059 -1.019 0.000 1.236 445 L HN 0.544 nan 8.230 nan 0.000 0.410 446 P HA 0.087 nan 4.420 nan 0.000 0.271 446 P C -0.021 177.340 177.300 0.102 0.000 1.218 446 P CA -0.162 62.813 63.100 -0.208 0.000 0.780 446 P CB 1.126 32.834 31.700 0.013 0.000 0.901 447 E N 1.797 122.074 120.200 0.129 0.000 2.153 447 E HA -0.166 4.176 4.350 -0.014 0.000 0.194 447 E C 2.107 178.790 176.600 0.139 0.000 0.988 447 E CA 1.495 57.992 56.400 0.162 0.000 0.811 447 E CB -0.478 29.296 29.700 0.123 0.000 0.746 447 E HN 0.514 nan 8.360 nan 0.000 0.466 448 A N 1.139 124.025 122.820 0.111 0.000 1.884 448 A HA -0.196 4.116 4.320 -0.014 0.000 0.219 448 A C 2.391 179.997 177.584 0.036 0.000 1.197 448 A CA 2.082 54.163 52.037 0.072 0.000 0.637 448 A CB -1.112 17.930 19.000 0.070 0.000 0.827 448 A HN 0.391 nan 8.150 nan 0.000 0.450 449 G N -3.145 105.681 108.800 0.044 0.000 2.887 449 G HA2 0.350 4.302 3.960 -0.014 0.000 0.211 449 G HA3 0.350 4.302 3.960 -0.014 0.000 0.211 449 G C 0.121 174.766 174.900 -0.424 0.000 1.152 449 G CA 0.007 45.011 45.100 -0.160 0.000 0.769 449 G HN 0.323 nan 8.290 nan 0.000 0.541 450 F N 1.228 121.179 119.950 0.002 0.000 2.531 450 F HA 0.333 4.851 4.527 -0.014 0.000 0.333 450 F C -1.573 174.292 175.800 0.109 0.000 1.292 450 F CA -2.263 55.750 58.000 0.022 0.000 1.184 450 F CB 2.198 41.175 39.000 -0.038 0.000 1.426 450 F HN -0.069 nan 8.300 nan 0.000 0.559 451 P HA 0.110 nan 4.420 nan 0.000 0.237 451 P C 0.830 178.235 177.300 0.174 0.000 1.178 451 P CA 0.765 63.952 63.100 0.144 0.000 0.766 451 P CB 0.904 32.644 31.700 0.067 0.000 0.876 452 G N -0.780 108.157 108.800 0.229 0.000 3.418 452 G HA2 0.180 4.132 3.960 -0.014 0.000 0.179 452 G HA3 0.180 4.132 3.960 -0.014 0.000 0.179 452 G C -1.044 174.105 174.900 0.415 0.000 1.212 452 G CA 0.005 45.251 45.100 0.243 0.000 0.935 452 G HN 0.011 nan 8.290 nan 0.000 0.716 453 D N -0.388 120.191 120.400 0.297 0.000 2.423 453 D HA 0.494 5.125 4.640 -0.014 0.000 0.255 453 D C 0.327 176.667 176.300 0.066 0.000 1.174 453 D CA -0.030 54.138 54.000 0.279 0.000 1.008 453 D CB 1.652 42.566 40.800 0.189 0.000 1.101 453 D HN 0.500 nan 8.370 nan 0.000 0.516 454 V N -0.955 118.883 119.914 -0.127 0.000 2.815 454 V HA 0.504 4.615 4.120 -0.014 0.000 0.314 454 V C -0.629 175.445 176.094 -0.033 0.000 1.064 454 V CA -0.709 61.479 62.300 -0.186 0.000 0.952 454 V CB 1.811 33.282 31.823 -0.586 0.000 1.020 454 V HN 0.632 nan 8.190 nan 0.000 0.439 455 H N 2.078 121.108 119.070 -0.068 0.000 2.505 455 H HA 0.749 5.297 4.556 -0.014 0.000 0.338 455 H C -1.836 173.459 175.328 -0.056 0.000 1.057 455 H CA -0.418 55.602 56.048 -0.047 0.000 1.202 455 H CB 2.071 31.819 29.762 -0.023 0.000 1.466 455 H HN 0.661 nan 8.280 nan 0.000 0.499 456 V N 5.031 124.632 119.914 -0.522 0.000 2.483 456 V HA 0.128 4.240 4.120 -0.014 0.000 0.297 456 V C -0.198 175.668 176.094 -0.381 0.000 1.027 456 V CA -0.800 61.303 62.300 -0.328 0.000 0.855 456 V CB 1.751 33.437 31.823 -0.228 0.000 0.995 456 V HN 0.708 nan 8.190 nan 0.000 0.424 457 E N 2.654 122.742 120.200 -0.188 0.000 2.175 457 E HA 0.638 4.979 4.350 -0.014 0.000 0.278 457 E C 0.786 177.348 176.600 -0.063 0.000 0.969 457 E CA 0.794 57.138 56.400 -0.093 0.000 0.796 457 E CB 1.410 31.125 29.700 0.025 0.000 1.104 457 E HN 0.934 nan 8.360 nan 0.000 0.395 458 G N 2.186 110.953 108.800 -0.054 0.000 2.175 458 G HA2 -0.019 3.932 3.960 -0.014 0.000 0.244 458 G HA3 -0.019 3.932 3.960 -0.014 0.000 0.244 458 G C 0.135 175.005 174.900 -0.049 0.000 0.982 458 G CA 0.086 45.163 45.100 -0.039 0.000 0.641 458 G HN 0.989 nan 8.290 nan 0.000 0.527 459 A N -0.731 122.047 122.820 -0.069 0.000 2.610 459 A HA 0.671 4.983 4.320 -0.014 0.000 0.291 459 A C -1.525 176.013 177.584 -0.077 0.000 1.086 459 A CA -0.363 51.634 52.037 -0.068 0.000 0.677 459 A CB 1.158 20.113 19.000 -0.074 0.000 1.278 459 A HN 0.106 nan 8.150 nan 0.000 0.414 460 D N 0.963 121.327 120.400 -0.061 0.000 2.177 460 D HA 0.430 5.061 4.640 -0.014 0.000 0.247 460 D C -0.251 176.016 176.300 -0.055 0.000 1.063 460 D CA 0.007 53.973 54.000 -0.056 0.000 0.867 460 D CB 1.813 42.591 40.800 -0.036 0.000 1.168 460 D HN 0.199 nan 8.370 nan 0.000 0.445 461 V N 2.779 122.660 119.914 -0.055 0.000 2.455 461 V HA 0.021 4.133 4.120 -0.014 0.000 0.273 461 V C 1.588 177.679 176.094 -0.006 0.000 1.045 461 V CA -0.185 62.093 62.300 -0.038 0.000 0.976 461 V CB 1.091 32.891 31.823 -0.038 0.000 0.993 461 V HN 0.501 nan 8.190 nan 0.000 0.475 462 V N 2.233 122.148 119.914 0.002 0.000 3.263 462 V HA 0.598 4.710 4.120 -0.014 0.000 0.248 462 V C 0.802 176.918 176.094 0.037 0.000 1.145 462 V CA 0.895 63.203 62.300 0.014 0.000 1.107 462 V CB 0.161 31.985 31.823 0.003 0.000 0.797 462 V HN 0.820 nan 8.190 nan 0.000 0.467 463 G N -0.908 107.930 108.800 0.062 0.000 2.719 463 G HA2 0.485 4.437 3.960 -0.014 0.000 0.298 463 G HA3 0.485 4.437 3.960 -0.014 0.000 0.298 463 G C -2.085 172.946 174.900 0.218 0.000 1.411 463 G CA -0.525 44.635 45.100 0.100 0.000 0.991 463 G HN 0.386 nan 8.290 nan 0.000 0.509 464 W N 4.092 125.375 121.300 -0.029 0.000 2.533 464 W HA 0.371 5.022 4.660 -0.014 0.000 0.291 464 W C -1.668 174.842 176.519 -0.016 0.000 1.013 464 W CA -0.806 56.519 57.345 -0.034 0.000 1.436 464 W CB 1.600 31.041 29.460 -0.032 0.000 1.291 464 W HN 0.464 nan 8.180 nan 0.000 0.396 465 D N 5.463 125.681 120.400 -0.303 0.000 2.411 465 D HA 0.081 4.713 4.640 -0.014 0.000 0.225 465 D C 1.459 177.277 176.300 -0.803 0.000 1.156 465 D CA -0.121 53.625 54.000 -0.423 0.000 0.874 465 D CB 0.943 41.648 40.800 -0.160 0.000 1.034 465 D HN 0.649 nan 8.370 nan 0.000 0.502 466 R N 2.474 122.422 120.500 -0.920 0.000 2.313 466 R HA -0.022 4.309 4.340 -0.014 0.000 0.199 466 R C 1.360 177.445 176.300 -0.358 0.000 0.958 466 R CA 0.451 56.026 56.100 -0.875 0.000 1.047 466 R CB 0.124 29.994 30.300 -0.716 0.000 0.955 466 R HN 0.199 nan 8.270 nan 0.000 0.481 467 Q N 1.623 121.280 119.800 -0.239 0.000 2.061 467 Q HA -0.046 4.285 4.340 -0.014 0.000 0.195 467 Q C 2.012 178.015 176.000 0.005 0.000 0.967 467 Q CA 2.266 58.017 55.803 -0.087 0.000 0.829 467 Q CB 0.063 28.764 28.738 -0.063 0.000 0.900 467 Q HN 0.425 nan 8.270 nan 0.000 0.450 468 S N -0.676 115.030 115.700 0.010 0.000 2.522 468 S HA 0.047 4.509 4.470 -0.014 0.000 0.227 468 S C 0.257 175.008 174.600 0.251 0.000 0.986 468 S CA 0.308 58.612 58.200 0.173 0.000 0.929 468 S CB 0.061 63.324 63.200 0.105 0.000 0.769 468 S HN 0.386 nan 8.310 nan 0.000 0.529 469 R N -0.119 120.421 120.500 0.067 0.000 3.776 469 R HA -0.084 4.248 4.340 -0.014 0.000 0.312 469 R C -1.017 175.470 176.300 0.311 0.000 1.181 469 R CA 0.527 56.717 56.100 0.150 0.000 0.836 469 R CB -2.897 27.576 30.300 0.288 0.000 1.324 469 R HN 0.540 nan 8.270 nan 0.000 0.501 470 L N 1.045 122.402 121.223 0.224 0.000 2.287 470 L HA 0.464 4.796 4.340 -0.014 0.000 0.287 470 L C 0.291 177.362 176.870 0.335 0.000 1.022 470 L CA -1.061 53.918 54.840 0.231 0.000 0.814 470 L CB 1.403 43.541 42.059 0.132 0.000 1.217 470 L HN -0.079 nan 8.230 nan 0.000 0.420 471 L N 4.100 125.481 121.223 0.264 0.000 2.289 471 L HA 0.562 4.893 4.340 -0.014 0.000 0.285 471 L C 0.114 177.001 176.870 0.029 0.000 1.049 471 L CA 0.299 55.239 54.840 0.165 0.000 0.804 471 L CB 1.647 43.611 42.059 -0.157 0.000 1.195 471 L HN 0.657 nan 8.230 nan 0.000 0.428 472 T N 3.161 117.739 114.554 0.039 0.000 2.824 472 T HA 0.750 5.092 4.350 -0.014 0.000 0.282 472 T C -0.394 174.291 174.700 -0.025 0.000 0.993 472 T CA -0.511 61.585 62.100 -0.007 0.000 0.967 472 T CB 1.375 70.247 68.868 0.008 0.000 0.960 472 T HN 0.742 nan 8.240 nan 0.000 0.441 473 V N 0.449 120.332 119.914 -0.051 0.000 3.040 473 V HA 0.826 4.938 4.120 -0.014 0.000 0.312 473 V C -0.978 175.085 176.094 -0.051 0.000 1.115 473 V CA -1.486 60.779 62.300 -0.058 0.000 0.998 473 V CB 2.077 33.849 31.823 -0.085 0.000 1.042 473 V HN 0.993 nan 8.190 nan 0.000 0.433 474 R N 1.421 121.894 120.500 -0.045 0.000 2.534 474 R HA 0.768 5.100 4.340 -0.014 0.000 0.301 474 R C -0.647 175.629 176.300 -0.040 0.000 0.961 474 R CA -0.281 55.796 56.100 -0.038 0.000 0.871 474 R CB 2.335 32.619 30.300 -0.028 0.000 1.170 474 R HN 1.052 nan 8.270 nan 0.000 0.446 475 T N -0.333 114.199 114.554 -0.038 0.000 2.912 475 T HA 0.550 4.892 4.350 -0.014 0.000 0.288 475 T C -2.291 172.394 174.700 -0.026 0.000 1.030 475 T CA -2.037 60.042 62.100 -0.034 0.000 1.020 475 T CB 1.618 70.463 68.868 -0.037 0.000 1.056 475 T HN 0.266 nan 8.240 nan 0.000 0.480 476 P HA 0.423 nan 4.420 nan 0.000 0.271 476 P C 0.030 177.321 177.300 -0.014 0.000 1.218 476 P CA -0.623 62.468 63.100 -0.016 0.000 0.780 476 P CB 0.598 32.290 31.700 -0.013 0.000 0.901 477 A N 1.567 124.380 122.820 -0.012 0.000 2.390 477 A HA 0.072 4.383 4.320 -0.014 0.000 0.232 477 A C 0.800 178.381 177.584 -0.006 0.000 1.233 477 A CA 0.136 52.167 52.037 -0.010 0.000 0.907 477 A CB -0.314 18.680 19.000 -0.009 0.000 0.967 477 A HN 0.569 nan 8.150 nan 0.000 0.512 478 D N -0.613 119.783 120.400 -0.005 0.000 2.462 478 D HA 0.043 4.675 4.640 -0.014 0.000 0.221 478 D C 0.559 176.858 176.300 -0.002 0.000 1.173 478 D CA 0.792 54.790 54.000 -0.003 0.000 0.831 478 D CB -0.462 40.336 40.800 -0.003 0.000 1.001 478 D HN 0.227 nan 8.370 nan 0.000 0.499 479 S N -1.313 114.386 115.700 -0.003 0.000 2.941 479 S HA 0.560 5.022 4.470 -0.014 0.000 0.251 479 S C 1.035 175.634 174.600 -0.001 0.000 1.029 479 S CA -0.119 58.080 58.200 -0.002 0.000 1.062 479 S CB 0.298 63.496 63.200 -0.003 0.000 0.977 479 S HN 0.560 nan 8.310 nan 0.000 0.552 480 G N 2.573 111.373 108.800 0.000 0.000 2.598 480 G HA2 -0.248 3.704 3.960 -0.014 0.000 0.244 480 G HA3 -0.248 3.704 3.960 -0.014 0.000 0.244 480 G C -0.709 174.192 174.900 0.001 0.000 1.302 480 G CA -0.477 44.624 45.100 0.002 0.000 0.903 480 G HN 0.548 nan 8.290 nan 0.000 0.575 481 N N -0.326 118.377 118.700 0.004 0.000 2.458 481 N HA 0.388 5.120 4.740 -0.014 0.000 0.258 481 N C 0.162 175.674 175.510 0.003 0.000 1.219 481 N CA 0.150 53.203 53.050 0.005 0.000 0.902 481 N CB 1.295 39.789 38.487 0.011 0.000 1.076 481 N HN 0.674 nan 8.380 nan 0.000 0.455 482 V N 1.761 121.675 119.914 -0.001 0.000 2.459 482 V HA 0.360 4.471 4.120 -0.014 0.000 0.295 482 V C 0.207 176.300 176.094 -0.001 0.000 1.029 482 V CA -0.662 61.635 62.300 -0.005 0.000 0.874 482 V CB 1.849 33.664 31.823 -0.014 0.000 0.985 482 V HN 0.576 nan 8.190 nan 0.000 0.438 483 T N 4.451 119.007 114.554 0.003 0.000 2.758 483 T HA 0.550 4.892 4.350 -0.014 0.000 0.285 483 T C -0.309 174.391 174.700 0.000 0.000 0.981 483 T CA -0.293 61.813 62.100 0.010 0.000 0.965 483 T CB 1.366 70.246 68.868 0.020 0.000 0.927 483 T HN 0.366 nan 8.240 nan 0.000 0.448 484 V N 4.092 124.003 119.914 -0.004 0.000 2.417 484 V HA 0.533 4.645 4.120 -0.014 0.000 0.291 484 V C 0.185 176.275 176.094 -0.007 0.000 1.024 484 V CA -0.684 61.602 62.300 -0.023 0.000 0.861 484 V CB 1.788 33.581 31.823 -0.048 0.000 0.985 484 V HN 0.948 nan 8.190 nan 0.000 0.436 485 T N 4.242 118.793 114.554 -0.005 0.000 2.812 485 T HA 0.584 4.926 4.350 -0.014 0.000 0.282 485 T C -0.526 174.184 174.700 0.016 0.000 0.990 485 T CA -0.419 61.696 62.100 0.024 0.000 0.960 485 T CB 1.627 70.524 68.868 0.048 0.000 0.948 485 T HN 0.340 nan 8.240 nan 0.000 0.438 486 V N 4.313 124.243 119.914 0.027 0.000 2.409 486 V HA 0.746 4.857 4.120 -0.014 0.000 0.291 486 V C 0.324 176.526 176.094 0.179 0.000 1.020 486 V CA -0.731 61.581 62.300 0.019 0.000 0.848 486 V CB 1.429 33.180 31.823 -0.120 0.000 0.990 486 V HN 1.121 nan 8.190 nan 0.000 0.430 487 T N 3.382 118.069 114.554 0.222 0.000 2.883 487 T HA 0.702 5.044 4.350 -0.014 0.000 0.296 487 T C -3.199 171.614 174.700 0.189 0.000 1.117 487 T CA -2.505 59.717 62.100 0.204 0.000 1.006 487 T CB 2.375 71.293 68.868 0.084 0.000 1.191 487 T HN 0.339 nan 8.240 nan 0.000 0.508 488 P HA 0.431 nan 4.420 nan 0.000 0.271 488 P C -0.379 176.917 177.300 -0.006 0.000 1.216 488 P CA -0.312 62.732 63.100 -0.093 0.000 0.776 488 P CB 0.139 31.647 31.700 -0.320 0.000 0.881 489 A N 2.999 125.846 122.820 0.044 0.000 2.466 489 A HA 0.463 4.774 4.320 -0.014 0.000 0.238 489 A C 0.824 178.408 177.584 0.001 0.000 1.074 489 A CA 0.127 52.190 52.037 0.043 0.000 0.774 489 A CB -0.451 18.593 19.000 0.073 0.000 1.015 489 A HN 0.637 nan 8.150 nan 0.000 0.498 490 A N 0.000 122.810 122.820 -0.017 0.000 2.254 490 A HA 0.000 4.312 4.320 -0.014 0.000 0.244 490 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 490 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 490 A HN 0.000 nan 8.150 nan 0.000 0.486