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 2vze_1_B DATA FIRST_RESID 37 DATA SEQUENCE HQEVPAKFNF ASDVLDHWAD MEKAGKRPPS PALWWVNGKG KELMWNFREL DATA SEQUENCE SENSQQAANV LSGACGLQRG DRVAVVLPRV PEWWLVILGC IRAGLIFMPG DATA SEQUENCE TIQMKSTDIL YRLQMSKAKA IVAGDEVIQE VDTVASECPS LRIKLLVSEK DATA SEQUENCE SCDGWLNFKK LLNEASTTHH CVETGSQEAS AIYFTSGTSG LPKMAEHSYS DATA SEQUENCE SLGLKAKMDA GWTGLQASDI MWTISDTGWI LNILCSLMEP WALGACTFVH DATA SEQUENCE LLPKFDPLVI LKTLSSYPIK SMMGAPIVYR MLLQQDLSSY KFPHLQNCVT DATA SEQUENCE VGESLLPETL ENWRAQTGLD IRESYGQTET GLTCMVSKTM KIKPGYMGTA DATA SEQUENCE ASCYDVQIID DKGNVLPPGT EGDIGIRVKP IRPIGIFSGY VDNPDKTAAN DATA SEQUENCE IRGDFWLLGD RGIKDEDGYF QFMGRADDII NSSGYRIGPS EVENALMEHP DATA SEQUENCE AVVETAVISS PDPVRGEVVK AFVVLASQFL SHDPEQLTKE LQQHVKSVTA DATA SEQUENCE PYKYPRKIEF VLNLPKTVTG KIQRAKLRDK EWK 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 37 H HA 0.000 nan 4.556 nan 0.000 0.296 37 H C 0.000 175.310 175.328 -0.030 0.000 0.993 37 H CA 0.000 56.030 56.048 -0.030 0.000 1.023 37 H CB 0.000 29.749 29.762 -0.022 0.000 1.292 38 Q N -0.108 119.677 119.800 -0.024 0.000 2.433 38 Q HA 0.621 4.962 4.340 0.002 0.000 0.279 38 Q C -0.399 175.593 176.000 -0.013 0.000 1.105 38 Q CA -0.406 55.385 55.803 -0.020 0.000 0.815 38 Q CB 2.352 31.077 28.738 -0.021 0.000 1.403 38 Q HN 1.019 nan 8.270 nan 0.000 0.435 39 E N 0.825 121.018 120.200 -0.012 0.000 2.261 39 E HA 0.490 4.842 4.350 0.002 0.000 0.239 39 E C -0.473 176.121 176.600 -0.010 0.000 0.991 39 E CA -0.458 55.937 56.400 -0.008 0.000 0.847 39 E CB 0.430 30.126 29.700 -0.007 0.000 1.223 39 E HN 0.413 nan 8.360 nan 0.000 0.446 40 V N -1.366 118.545 119.914 -0.005 0.000 3.074 40 V HA 0.890 5.011 4.120 0.002 0.000 0.314 40 V C -2.264 173.839 176.094 0.015 0.000 1.117 40 V CA -2.198 60.099 62.300 -0.004 0.000 1.014 40 V CB 1.340 33.162 31.823 -0.002 0.000 1.057 40 V HN 0.490 nan 8.190 nan 0.000 0.438 41 P HA 0.290 nan 4.420 nan 0.000 0.270 41 P C 0.782 178.119 177.300 0.062 0.000 1.223 41 P CA 0.258 63.390 63.100 0.052 0.000 0.785 41 P CB 0.999 32.752 31.700 0.087 0.000 0.923 42 A N 2.143 124.993 122.820 0.050 0.000 1.972 42 A HA -0.097 4.224 4.320 0.002 0.000 0.219 42 A C 0.947 178.570 177.584 0.065 0.000 1.169 42 A CA 1.336 53.400 52.037 0.045 0.000 0.635 42 A CB -0.339 18.677 19.000 0.027 0.000 0.810 42 A HN 0.572 nan 8.150 nan 0.000 0.446 43 K N -1.879 118.571 120.400 0.083 0.000 2.371 43 K HA 0.636 4.957 4.320 0.002 0.000 0.251 43 K C -1.894 174.820 176.600 0.191 0.000 0.934 43 K CA -0.429 55.909 56.287 0.086 0.000 0.798 43 K CB 2.151 34.664 32.500 0.023 0.000 1.204 43 K HN 0.198 nan 8.250 nan 0.000 0.427 44 F N 1.694 121.653 119.950 0.015 0.000 2.650 44 F HA 0.356 4.883 4.527 -0.001 0.000 0.310 44 F C -1.650 174.183 175.800 0.056 0.000 1.112 44 F CA -0.627 57.406 58.000 0.054 0.000 0.986 44 F CB 1.891 40.955 39.000 0.108 0.000 1.285 44 F HN 0.454 nan 8.300 nan 0.000 0.440 45 N N 5.173 123.405 118.700 -0.780 0.000 2.542 45 N HA 0.113 4.854 4.740 0.002 0.000 0.288 45 N C -0.296 174.927 175.510 -0.478 0.000 1.115 45 N CA -0.328 52.508 53.050 -0.357 0.000 0.924 45 N CB 1.212 39.556 38.487 -0.237 0.000 1.526 45 N HN 0.715 nan 8.380 nan 0.000 0.515 46 F N 3.810 123.697 119.950 -0.105 0.000 2.161 46 F HA -0.071 4.458 4.527 0.002 0.000 0.300 46 F C 2.101 177.941 175.800 0.066 0.000 1.089 46 F CA 2.150 60.193 58.000 0.072 0.000 1.282 46 F CB 0.249 39.446 39.000 0.328 0.000 1.010 46 F HN 0.697 nan 8.300 nan 0.000 0.485 47 A N -0.602 122.357 122.820 0.231 0.000 1.873 47 A HA -0.174 4.147 4.320 0.002 0.000 0.215 47 A C 2.325 179.912 177.584 0.004 0.000 1.186 47 A CA 2.043 54.176 52.037 0.160 0.000 0.616 47 A CB -1.247 17.854 19.000 0.168 0.000 0.823 47 A HN 0.471 nan 8.150 nan 0.000 0.442 48 S N -0.643 115.018 115.700 -0.065 0.000 2.439 48 S HA -0.051 4.421 4.470 0.002 0.000 0.224 48 S C 1.094 175.598 174.600 -0.160 0.000 1.029 48 S CA 1.077 59.223 58.200 -0.091 0.000 0.946 48 S CB -0.233 62.917 63.200 -0.085 0.000 0.797 48 S HN 0.437 nan 8.310 nan 0.000 0.504 49 D N 0.771 121.001 120.400 -0.283 0.000 2.305 49 D HA 0.219 4.860 4.640 0.002 0.000 0.206 49 D C 1.722 177.855 176.300 -0.278 0.000 0.974 49 D CA 0.472 54.289 54.000 -0.304 0.000 0.871 49 D CB 0.431 40.927 40.800 -0.507 0.000 0.947 49 D HN 0.402 nan 8.370 nan 0.000 0.516 50 V N -0.009 119.696 119.914 -0.347 0.000 2.950 50 V HA 0.043 4.164 4.120 0.002 0.000 0.231 50 V C 1.934 177.925 176.094 -0.172 0.000 1.205 50 V CA 0.014 62.096 62.300 -0.362 0.000 1.239 50 V CB -0.059 31.313 31.823 -0.751 0.000 1.050 50 V HN 0.020 nan 8.190 nan 0.000 0.498 51 L N 0.827 121.978 121.223 -0.120 0.000 2.017 51 L HA -0.131 4.210 4.340 0.002 0.000 0.208 51 L C 1.902 178.844 176.870 0.120 0.000 1.073 51 L CA 2.212 57.140 54.840 0.147 0.000 0.745 51 L CB -0.659 41.513 42.059 0.187 0.000 0.894 51 L HN 0.316 nan 8.230 nan 0.000 0.432 52 D N -2.096 118.317 120.400 0.021 0.000 2.269 52 D HA -0.175 4.466 4.640 0.002 0.000 0.208 52 D C 1.910 178.176 176.300 -0.056 0.000 0.963 52 D CA 1.065 55.068 54.000 0.003 0.000 0.864 52 D CB -0.086 40.706 40.800 -0.013 0.000 0.936 52 D HN 0.557 nan 8.370 nan 0.000 0.505 53 H N -0.759 118.168 119.070 -0.238 0.000 2.289 53 H HA -0.183 4.376 4.556 0.003 0.000 0.296 53 H C 1.773 176.868 175.328 -0.388 0.000 1.091 53 H CA 2.103 57.913 56.048 -0.397 0.000 1.274 53 H CB -0.353 29.009 29.762 -0.667 0.000 1.364 53 H HN 0.201 nan 8.280 nan 0.000 0.490 54 W N 0.367 121.594 121.300 -0.122 0.000 2.381 54 W HA -0.050 4.614 4.660 0.005 0.000 0.301 54 W C 2.918 179.316 176.519 -0.203 0.000 1.205 54 W CA 0.853 58.017 57.345 -0.303 0.000 1.285 54 W CB -0.384 28.661 29.460 -0.692 0.000 1.133 54 W HN 0.340 nan 8.180 nan 0.000 0.521 55 A N 0.624 123.523 122.820 0.131 0.000 1.877 55 A HA -0.233 4.089 4.320 0.002 0.000 0.216 55 A C 1.628 179.218 177.584 0.010 0.000 1.186 55 A CA 2.176 54.282 52.037 0.114 0.000 0.620 55 A CB -0.931 18.131 19.000 0.105 0.000 0.822 55 A HN 0.151 nan 8.150 nan 0.000 0.443 56 D N -0.509 119.847 120.400 -0.073 0.000 2.182 56 D HA -0.134 4.507 4.640 0.002 0.000 0.201 56 D C 1.939 178.160 176.300 -0.131 0.000 0.986 56 D CA 1.002 54.937 54.000 -0.108 0.000 0.847 56 D CB -0.282 40.426 40.800 -0.153 0.000 0.942 56 D HN 0.296 nan 8.370 nan 0.000 0.467 57 M N 0.411 119.897 119.600 -0.191 0.000 2.159 57 M HA -0.100 4.382 4.480 0.002 0.000 0.263 57 M C 1.913 178.192 176.300 -0.035 0.000 1.063 57 M CA 1.248 56.461 55.300 -0.145 0.000 1.110 57 M CB -0.688 31.830 32.600 -0.136 0.000 1.374 57 M HN 0.127 nan 8.290 nan 0.000 0.411 58 E N 0.171 120.377 120.200 0.010 0.000 2.016 58 E HA -0.148 4.204 4.350 0.002 0.000 0.190 58 E C 2.068 178.678 176.600 0.016 0.000 0.985 58 E CA 0.924 57.347 56.400 0.039 0.000 0.802 58 E CB -0.089 29.662 29.700 0.084 0.000 0.762 58 E HN 0.465 nan 8.360 nan 0.000 0.448 59 K N 0.598 121.003 120.400 0.008 0.000 2.089 59 K HA -0.178 4.144 4.320 0.002 0.000 0.210 59 K C 2.003 178.597 176.600 -0.010 0.000 1.048 59 K CA 1.419 57.706 56.287 -0.001 0.000 0.926 59 K CB -0.185 32.311 32.500 -0.007 0.000 0.714 59 K HN 0.063 nan 8.250 nan 0.000 0.448 60 A N -0.058 122.748 122.820 -0.023 0.000 2.238 60 A HA 0.192 4.513 4.320 0.002 0.000 0.208 60 A C 1.440 179.014 177.584 -0.017 0.000 1.177 60 A CA 0.889 52.911 52.037 -0.026 0.000 0.804 60 A CB -0.222 18.751 19.000 -0.045 0.000 0.823 60 A HN 0.465 nan 8.150 nan 0.000 0.482 61 G N -0.517 108.279 108.800 -0.008 0.000 2.179 61 G HA2 -0.311 3.650 3.960 0.002 0.000 0.260 61 G HA3 -0.311 3.650 3.960 0.002 0.000 0.260 61 G C 0.889 175.791 174.900 0.003 0.000 0.977 61 G CA 0.829 45.930 45.100 0.001 0.000 0.641 61 G HN 0.527 nan 8.290 nan 0.000 0.533 62 K N -0.560 119.838 120.400 -0.004 0.000 2.432 62 K HA 0.171 4.492 4.320 0.002 0.000 0.196 62 K C 1.222 177.837 176.600 0.025 0.000 1.038 62 K CA 0.576 56.864 56.287 0.001 0.000 0.986 62 K CB 0.258 32.745 32.500 -0.022 0.000 0.782 62 K HN 0.419 nan 8.250 nan 0.000 0.485 63 R N 0.533 121.052 120.500 0.033 0.000 2.668 63 R HA 0.253 4.594 4.340 0.002 0.000 0.272 63 R C -2.982 173.349 176.300 0.052 0.000 1.019 63 R CA -2.007 54.127 56.100 0.058 0.000 0.894 63 R CB 1.630 31.988 30.300 0.095 0.000 1.228 63 R HN -0.230 nan 8.270 nan 0.000 0.460 64 P HA 0.189 nan 4.420 nan 0.000 0.272 64 P C -2.589 174.751 177.300 0.065 0.000 1.223 64 P CA -1.370 61.758 63.100 0.047 0.000 0.784 64 P CB 0.083 31.806 31.700 0.039 0.000 0.923 65 P HA 0.004 nan 4.420 nan 0.000 0.253 65 P C -0.630 176.721 177.300 0.085 0.000 1.170 65 P CA 0.996 64.139 63.100 0.072 0.000 0.806 65 P CB -0.259 31.461 31.700 0.033 0.000 0.775 66 S N 5.980 121.777 115.700 0.161 0.000 2.475 66 S HA 0.507 4.979 4.470 0.002 0.000 0.298 66 S C -2.422 172.289 174.600 0.185 0.000 1.119 66 S CA -1.618 56.690 58.200 0.180 0.000 1.085 66 S CB 0.857 64.184 63.200 0.212 0.000 1.028 66 S HN 0.233 nan 8.310 nan 0.000 0.489 67 P HA 0.241 nan 4.420 nan 0.000 0.268 67 P C -0.143 177.116 177.300 -0.069 0.000 1.204 67 P CA -0.070 63.031 63.100 0.002 0.000 0.768 67 P CB 0.734 32.446 31.700 0.020 0.000 0.842 68 A N 3.647 126.245 122.820 -0.369 0.000 1.999 68 A HA 0.273 4.594 4.320 0.002 0.000 0.200 68 A C 0.200 177.792 177.584 0.012 0.000 1.363 68 A CA 0.745 52.332 52.037 -0.750 0.000 0.844 68 A CB -0.116 17.764 19.000 -1.866 0.000 0.954 68 A HN 0.482 nan 8.150 nan 0.000 0.481 69 L N -1.085 120.183 121.223 0.076 0.000 2.438 69 L HA 0.681 5.022 4.340 0.002 0.000 0.270 69 L C -2.132 174.921 176.870 0.304 0.000 0.972 69 L CA -0.535 54.435 54.840 0.216 0.000 0.831 69 L CB 1.900 44.036 42.059 0.129 0.000 1.273 69 L HN 0.316 nan 8.230 nan 0.000 0.405 70 W N 6.753 128.037 121.300 -0.026 0.000 2.499 70 W HA 0.438 5.099 4.660 0.002 0.000 0.320 70 W C -2.088 174.175 176.519 -0.426 0.000 1.010 70 W CA -1.665 55.603 57.345 -0.129 0.000 1.267 70 W CB 1.351 30.755 29.460 -0.093 0.000 1.316 70 W HN 0.691 nan 8.180 nan 0.000 0.431 71 W N 8.246 129.520 121.300 -0.043 0.000 2.632 71 W HA 0.620 5.282 4.660 0.002 0.000 0.328 71 W C -1.129 175.185 176.519 -0.342 0.000 1.044 71 W CA -0.812 56.325 57.345 -0.347 0.000 1.225 71 W CB 1.374 30.774 29.460 -0.100 0.000 1.396 71 W HN 0.297 nan 8.180 nan 0.000 0.499 72 V N 4.242 123.268 119.914 -1.481 0.000 2.925 72 V HA 0.516 4.637 4.120 0.002 0.000 0.311 72 V C -0.023 174.932 176.094 -1.898 0.000 1.104 72 V CA -0.700 60.740 62.300 -1.433 0.000 0.954 72 V CB 2.010 33.236 31.823 -0.994 0.000 1.022 72 V HN 0.789 nan 8.190 nan 0.000 0.427 73 N N 1.670 119.511 118.700 -1.431 0.000 2.325 73 N HA 0.261 5.003 4.740 0.002 0.000 0.182 73 N C 1.286 176.490 175.510 -0.509 0.000 1.088 73 N CA 0.945 53.465 53.050 -0.884 0.000 0.879 73 N CB 0.859 39.090 38.487 -0.426 0.000 0.983 73 N HN 2.035 nan 8.380 nan 0.000 0.471 74 G N 0.442 108.939 108.800 -0.504 0.000 2.176 74 G HA2 -0.299 3.662 3.960 0.002 0.000 0.253 74 G HA3 -0.299 3.662 3.960 0.002 0.000 0.253 74 G C 0.538 175.424 174.900 -0.023 0.000 0.979 74 G CA 0.441 45.483 45.100 -0.097 0.000 0.641 74 G HN 0.461 nan 8.290 nan 0.000 0.530 75 K N -0.247 120.113 120.400 -0.067 0.000 2.478 75 K HA 0.460 4.782 4.320 0.002 0.000 0.205 75 K C 1.562 178.151 176.600 -0.017 0.000 1.033 75 K CA 0.418 56.695 56.287 -0.017 0.000 1.091 75 K CB 0.606 33.107 32.500 0.002 0.000 0.844 75 K HN 1.171 nan 8.250 nan 0.000 0.507 76 G N 1.728 110.507 108.800 -0.035 0.000 2.184 76 G HA2 -0.240 3.721 3.960 0.002 0.000 0.206 76 G HA3 -0.240 3.721 3.960 0.002 0.000 0.206 76 G C -0.163 174.729 174.900 -0.014 0.000 0.995 76 G CA -0.256 44.838 45.100 -0.010 0.000 0.651 76 G HN 0.189 nan 8.290 nan 0.000 0.511 77 K N 1.402 121.769 120.400 -0.056 0.000 2.213 77 K HA 0.670 4.991 4.320 0.002 0.000 0.270 77 K C -0.177 176.368 176.600 -0.091 0.000 1.002 77 K CA -0.405 55.874 56.287 -0.015 0.000 0.868 77 K CB 0.730 33.272 32.500 0.070 0.000 1.093 77 K HN 0.323 nan 8.250 nan 0.000 0.454 78 E N 4.012 124.234 120.200 0.037 0.000 2.340 78 E HA 0.466 4.817 4.350 0.002 0.000 0.273 78 E C -1.097 175.603 176.600 0.166 0.000 0.891 78 E CA -0.926 55.525 56.400 0.083 0.000 0.757 78 E CB 2.016 31.818 29.700 0.171 0.000 1.231 78 E HN 0.353 nan 8.360 nan 0.000 0.439 79 L N 2.123 123.499 121.223 0.254 0.000 2.434 79 L HA 0.611 4.952 4.340 0.002 0.000 0.260 79 L C -0.871 176.001 176.870 0.003 0.000 0.983 79 L CA -0.798 54.069 54.840 0.045 0.000 0.820 79 L CB 2.355 44.436 42.059 0.037 0.000 1.361 79 L HN 0.415 nan 8.230 nan 0.000 0.410 80 M N 2.361 121.797 119.600 -0.274 0.000 2.386 80 M HA 0.430 4.911 4.480 0.002 0.000 0.293 80 M C -2.288 173.856 176.300 -0.260 0.000 1.120 80 M CA -0.229 54.965 55.300 -0.176 0.000 0.909 80 M CB 2.805 35.186 32.600 -0.366 0.000 1.661 80 M HN 0.578 nan 8.290 nan 0.000 0.452 81 W N 4.046 125.268 121.300 -0.130 0.000 2.587 81 W HA 0.278 4.939 4.660 0.003 0.000 0.324 81 W C -0.021 176.367 176.519 -0.219 0.000 1.040 81 W CA -0.596 56.658 57.345 -0.153 0.000 1.222 81 W CB 1.880 31.246 29.460 -0.156 0.000 1.381 81 W HN 0.719 nan 8.180 nan 0.000 0.483 82 N N 0.294 118.997 118.700 0.006 0.000 2.364 82 N HA 0.194 4.935 4.740 0.002 0.000 0.264 82 N C 0.353 175.807 175.510 -0.092 0.000 1.263 82 N CA -0.273 52.746 53.050 -0.051 0.000 0.959 82 N CB 0.233 38.735 38.487 0.025 0.000 1.204 82 N HN 0.209 nan 8.380 nan 0.000 0.550 83 F N -1.354 118.597 119.950 0.001 0.000 2.325 83 F HA 0.137 4.666 4.527 0.004 0.000 0.299 83 F C 2.590 178.384 175.800 -0.009 0.000 1.090 83 F CA 0.778 58.756 58.000 -0.038 0.000 1.392 83 F CB -0.175 38.833 39.000 0.013 0.000 1.053 83 F HN 0.518 nan 8.300 nan 0.000 0.521 84 R N 0.780 121.388 120.500 0.179 0.000 2.066 84 R HA -0.150 4.192 4.340 0.002 0.000 0.232 84 R C 1.982 178.332 176.300 0.083 0.000 1.131 84 R CA 1.759 57.924 56.100 0.108 0.000 0.955 84 R CB -0.231 30.118 30.300 0.081 0.000 0.851 84 R HN 0.269 nan 8.270 nan 0.000 0.432 85 E N 0.340 120.597 120.200 0.095 0.000 2.077 85 E HA -0.221 4.131 4.350 0.002 0.000 0.193 85 E C 1.926 178.663 176.600 0.228 0.000 0.989 85 E CA 1.212 57.707 56.400 0.159 0.000 0.800 85 E CB -0.104 29.690 29.700 0.156 0.000 0.746 85 E HN 0.190 nan 8.360 nan 0.000 0.452 86 L N 0.585 121.865 121.223 0.096 0.000 2.056 86 L HA -0.157 4.184 4.340 0.002 0.000 0.207 86 L C 2.360 179.178 176.870 -0.087 0.000 1.078 86 L CA 1.708 56.468 54.840 -0.133 0.000 0.749 86 L CB -0.626 41.191 42.059 -0.403 0.000 0.901 86 L HN -0.014 nan 8.230 nan 0.000 0.433 87 S N -0.789 114.902 115.700 -0.016 0.000 2.348 87 S HA -0.225 4.246 4.470 0.002 0.000 0.221 87 S C 1.892 176.503 174.600 0.018 0.000 1.033 87 S CA 1.676 59.883 58.200 0.012 0.000 1.010 87 S CB -0.270 62.959 63.200 0.048 0.000 0.891 87 S HN 0.613 nan 8.310 nan 0.000 0.442 88 E N 0.557 120.778 120.200 0.036 0.000 2.051 88 E HA -0.156 4.195 4.350 0.002 0.000 0.192 88 E C 2.110 178.730 176.600 0.034 0.000 0.991 88 E CA 1.335 57.756 56.400 0.035 0.000 0.799 88 E CB -0.239 29.487 29.700 0.043 0.000 0.748 88 E HN 0.436 nan 8.360 nan 0.000 0.449 89 N N 0.209 118.946 118.700 0.062 0.000 2.188 89 N HA -0.128 4.613 4.740 0.002 0.000 0.184 89 N C 1.781 177.293 175.510 0.003 0.000 1.018 89 N CA 1.503 54.595 53.050 0.070 0.000 0.858 89 N CB -0.032 38.567 38.487 0.187 0.000 0.989 89 N HN 0.110 nan 8.380 nan 0.000 0.426 90 S N -0.768 114.913 115.700 -0.031 0.000 2.461 90 S HA -0.042 4.429 4.470 0.002 0.000 0.228 90 S C 1.778 176.351 174.600 -0.045 0.000 1.005 90 S CA 0.500 58.677 58.200 -0.038 0.000 0.942 90 S CB -0.261 62.913 63.200 -0.042 0.000 0.776 90 S HN 0.336 nan 8.310 nan 0.000 0.514 91 Q N 0.946 120.730 119.800 -0.027 0.000 2.119 91 Q HA -0.082 4.260 4.340 0.002 0.000 0.201 91 Q C 2.490 178.458 176.000 -0.054 0.000 0.972 91 Q CA 1.499 57.286 55.803 -0.028 0.000 0.847 91 Q CB -0.243 28.510 28.738 0.026 0.000 0.903 91 Q HN 0.705 nan 8.270 nan 0.000 0.433 92 Q N 0.119 119.895 119.800 -0.040 0.000 2.061 92 Q HA -0.195 4.147 4.340 0.002 0.000 0.204 92 Q C 2.144 178.088 176.000 -0.093 0.000 0.984 92 Q CA 1.429 57.195 55.803 -0.061 0.000 0.846 92 Q CB -0.258 28.447 28.738 -0.054 0.000 0.902 92 Q HN 0.380 nan 8.270 nan 0.000 0.421 93 A N 1.190 123.970 122.820 -0.067 0.000 1.883 93 A HA -0.197 4.125 4.320 0.002 0.000 0.217 93 A C 2.329 179.878 177.584 -0.059 0.000 1.186 93 A CA 1.778 53.807 52.037 -0.013 0.000 0.624 93 A CB -0.954 18.090 19.000 0.073 0.000 0.822 93 A HN 0.426 nan 8.150 nan 0.000 0.444 94 A N -0.009 122.708 122.820 -0.173 0.000 1.940 94 A HA -0.213 4.108 4.320 0.002 0.000 0.219 94 A C 1.960 179.380 177.584 -0.273 0.000 1.176 94 A CA 1.838 53.662 52.037 -0.355 0.000 0.631 94 A CB -0.613 17.864 19.000 -0.871 0.000 0.814 94 A HN 0.563 nan 8.150 nan 0.000 0.446 95 N N -0.020 118.581 118.700 -0.164 0.000 2.216 95 N HA -0.089 4.652 4.740 0.002 0.000 0.183 95 N C 1.737 177.229 175.510 -0.029 0.000 1.017 95 N CA 1.390 54.421 53.050 -0.031 0.000 0.861 95 N CB -0.431 38.057 38.487 0.002 0.000 0.986 95 N HN 0.253 nan 8.380 nan 0.000 0.428 96 V N 1.774 121.653 119.914 -0.058 0.000 2.287 96 V HA -0.199 3.922 4.120 0.002 0.000 0.248 96 V C 2.363 178.464 176.094 0.012 0.000 1.053 96 V CA 1.353 63.627 62.300 -0.044 0.000 1.027 96 V CB -0.434 31.322 31.823 -0.112 0.000 0.646 96 V HN 0.200 nan 8.190 nan 0.000 0.447 97 L N 0.410 121.646 121.223 0.022 0.000 2.044 97 L HA -0.106 4.235 4.340 0.002 0.000 0.205 97 L C 2.585 179.474 176.870 0.032 0.000 1.075 97 L CA 1.939 56.804 54.840 0.041 0.000 0.747 97 L CB -0.639 41.441 42.059 0.035 0.000 0.903 97 L HN 0.519 nan 8.230 nan 0.000 0.435 98 S N -1.141 114.574 115.700 0.025 0.000 2.478 98 S HA 0.076 4.548 4.470 0.002 0.000 0.222 98 S C 1.685 176.318 174.600 0.055 0.000 1.008 98 S CA 0.385 58.617 58.200 0.055 0.000 0.928 98 S CB 0.087 63.349 63.200 0.103 0.000 0.781 98 S HN 0.362 nan 8.310 nan 0.000 0.518 99 G N 1.226 110.052 108.800 0.044 0.000 2.760 99 G HA2 0.450 4.411 3.960 0.002 0.000 0.214 99 G HA3 0.450 4.411 3.960 0.002 0.000 0.214 99 G C 1.622 176.536 174.900 0.023 0.000 1.212 99 G CA 0.319 45.442 45.100 0.037 0.000 0.858 99 G HN 0.609 nan 8.290 nan 0.000 0.611 100 A N 0.083 122.912 122.820 0.014 0.000 1.877 100 A HA -0.067 4.254 4.320 0.002 0.000 0.216 100 A C 2.323 179.918 177.584 0.019 0.000 1.186 100 A CA 2.033 54.076 52.037 0.011 0.000 0.620 100 A CB -0.924 18.077 19.000 0.000 0.000 0.822 100 A HN 0.454 nan 8.150 nan 0.000 0.443 101 C N -1.296 118.020 119.300 0.026 0.000 2.696 101 C HA 0.461 4.922 4.460 0.002 0.000 0.264 101 C C 1.925 176.930 174.990 0.025 0.000 1.288 101 C CA -0.211 58.825 59.018 0.029 0.000 1.717 101 C CB -1.016 26.749 27.740 0.042 0.000 1.893 101 C HN 1.079 nan 8.230 nan 0.000 0.577 102 G N 1.437 110.253 108.800 0.027 0.000 2.258 102 G HA2 -0.278 3.684 3.960 0.002 0.000 0.274 102 G HA3 -0.278 3.684 3.960 0.002 0.000 0.274 102 G C -0.010 174.907 174.900 0.029 0.000 1.021 102 G CA 0.007 45.123 45.100 0.027 0.000 0.798 102 G HN 0.606 nan 8.290 nan 0.000 0.507 103 L N 0.153 121.396 121.223 0.033 0.000 2.416 103 L HA 0.293 4.635 4.340 0.002 0.000 0.272 103 L C 0.885 177.781 176.870 0.043 0.000 1.161 103 L CA -0.126 54.735 54.840 0.035 0.000 0.845 103 L CB 0.635 42.716 42.059 0.037 0.000 1.119 103 L HN 0.233 nan 8.230 nan 0.000 0.464 104 Q N 2.908 122.732 119.800 0.040 0.000 2.257 104 Q HA 0.328 4.670 4.340 0.002 0.000 0.262 104 Q C -0.396 175.636 176.000 0.053 0.000 0.997 104 Q CA -1.050 54.780 55.803 0.045 0.000 0.873 104 Q CB 1.752 30.510 28.738 0.033 0.000 1.312 104 Q HN 0.432 nan 8.270 nan 0.000 0.450 105 R N -0.103 120.433 120.500 0.060 0.000 2.474 105 R HA -0.050 4.291 4.340 0.002 0.000 0.290 105 R C 0.858 177.195 176.300 0.062 0.000 0.918 105 R CA 1.814 57.956 56.100 0.069 0.000 1.130 105 R CB -0.401 29.932 30.300 0.056 0.000 0.881 105 R HN 0.978 nan 8.270 nan 0.000 0.416 106 G N 2.898 111.744 108.800 0.077 0.000 2.217 106 G HA2 -0.248 3.713 3.960 0.002 0.000 0.246 106 G HA3 -0.248 3.713 3.960 0.002 0.000 0.246 106 G C -0.377 174.545 174.900 0.037 0.000 0.990 106 G CA 0.194 45.328 45.100 0.057 0.000 0.627 106 G HN 0.679 nan 8.290 nan 0.000 0.522 107 D N 0.967 121.391 120.400 0.039 0.000 2.382 107 D HA 0.467 5.109 4.640 0.002 0.000 0.245 107 D C 0.969 177.283 176.300 0.024 0.000 1.120 107 D CA 0.150 54.167 54.000 0.027 0.000 0.890 107 D CB 0.507 41.324 40.800 0.029 0.000 1.201 107 D HN 0.407 nan 8.370 nan 0.000 0.433 108 R N 0.888 121.395 120.500 0.012 0.000 2.265 108 R HA 0.497 4.839 4.340 0.002 0.000 0.319 108 R C -0.821 175.489 176.300 0.016 0.000 1.006 108 R CA -0.716 55.387 56.100 0.005 0.000 0.880 108 R CB 1.285 31.582 30.300 -0.004 0.000 1.077 108 R HN 0.119 nan 8.270 nan 0.000 0.454 109 V N 2.910 122.837 119.914 0.021 0.000 2.349 109 V HA 0.353 4.475 4.120 0.002 0.000 0.284 109 V C 0.151 176.262 176.094 0.029 0.000 1.014 109 V CA -1.005 61.310 62.300 0.026 0.000 0.826 109 V CB 1.425 33.265 31.823 0.028 0.000 1.009 109 V HN 0.929 nan 8.190 nan 0.000 0.431 110 A N 4.860 127.702 122.820 0.037 0.000 2.477 110 A HA 0.623 4.944 4.320 0.002 0.000 0.246 110 A C -0.228 177.380 177.584 0.039 0.000 1.078 110 A CA -0.053 52.016 52.037 0.053 0.000 0.770 110 A CB 0.494 19.531 19.000 0.063 0.000 1.011 110 A HN 0.756 nan 8.150 nan 0.000 0.494 111 V N 3.475 123.417 119.914 0.046 0.000 2.443 111 V HA 0.411 4.532 4.120 0.002 0.000 0.293 111 V C -0.572 175.598 176.094 0.127 0.000 1.021 111 V CA -0.335 61.980 62.300 0.026 0.000 0.848 111 V CB 1.624 33.385 31.823 -0.104 0.000 0.998 111 V HN 0.641 nan 8.190 nan 0.000 0.424 112 V N 6.969 126.956 119.914 0.122 0.000 2.383 112 V HA 0.499 4.621 4.120 0.002 0.000 0.261 112 V C -0.440 175.731 176.094 0.129 0.000 0.987 112 V CA -0.132 62.251 62.300 0.140 0.000 0.853 112 V CB 0.866 32.756 31.823 0.112 0.000 1.095 112 V HN 0.648 nan 8.190 nan 0.000 0.461 113 L N 4.960 126.297 121.223 0.189 0.000 2.371 113 L HA 0.684 5.026 4.340 0.002 0.000 0.262 113 L C -2.215 174.737 176.870 0.137 0.000 1.006 113 L CA -1.839 53.099 54.840 0.165 0.000 0.818 113 L CB 3.617 45.813 42.059 0.227 0.000 1.354 113 L HN 0.270 nan 8.230 nan 0.000 0.415 114 P HA 0.129 nan 4.420 nan 0.000 0.293 114 P C -0.863 176.541 177.300 0.173 0.000 1.298 114 P CA -0.516 62.662 63.100 0.130 0.000 0.757 114 P CB 0.470 32.255 31.700 0.142 0.000 1.262 115 R N 0.041 120.687 120.500 0.243 0.000 3.710 115 R HA 0.255 4.596 4.340 0.002 0.000 0.201 115 R C -0.025 176.562 176.300 0.478 0.000 1.641 115 R CA -0.224 56.107 56.100 0.386 0.000 1.390 115 R CB -0.914 29.617 30.300 0.385 0.000 1.341 115 R HN 0.286 nan 8.270 nan 0.000 0.728 116 V N -1.437 118.684 119.914 0.345 0.000 2.864 116 V HA 0.444 4.565 4.120 0.002 0.000 0.314 116 V C -2.224 173.867 176.094 -0.005 0.000 1.073 116 V CA -2.573 59.716 62.300 -0.017 0.000 0.956 116 V CB 2.256 34.040 31.823 -0.065 0.000 1.023 116 V HN 0.146 nan 8.190 nan 0.000 0.435 117 P HA -0.116 nan 4.420 nan 0.000 0.217 117 P C 1.253 178.576 177.300 0.039 0.000 1.148 117 P CA 1.504 64.479 63.100 -0.208 0.000 0.828 117 P CB 0.235 31.737 31.700 -0.329 0.000 0.783 118 E N -2.057 118.151 120.200 0.014 0.000 2.209 118 E HA -0.197 4.154 4.350 0.002 0.000 0.196 118 E C 1.632 178.236 176.600 0.007 0.000 0.993 118 E CA 0.870 57.278 56.400 0.013 0.000 0.819 118 E CB -0.883 28.778 29.700 -0.066 0.000 0.745 118 E HN 0.374 nan 8.360 nan 0.000 0.477 119 W N -0.069 121.220 121.300 -0.018 0.000 2.335 119 W HA -0.172 4.489 4.660 0.002 0.000 0.311 119 W C 1.612 178.019 176.519 -0.187 0.000 1.213 119 W CA 1.490 58.749 57.345 -0.143 0.000 1.274 119 W CB -0.222 29.090 29.460 -0.246 0.000 1.148 119 W HN 0.119 nan 8.180 nan 0.000 0.498 120 W N -0.140 121.282 121.300 0.203 0.000 2.388 120 W HA -0.147 4.514 4.660 0.002 0.000 0.294 120 W C 2.047 178.524 176.519 -0.070 0.000 1.212 120 W CA 0.957 58.381 57.345 0.131 0.000 1.271 120 W CB -1.048 28.545 29.460 0.222 0.000 1.126 120 W HN -0.039 nan 8.180 nan 0.000 0.535 121 L N -0.548 120.720 121.223 0.074 0.000 2.056 121 L HA -0.214 4.127 4.340 0.002 0.000 0.207 121 L C 2.294 179.121 176.870 -0.071 0.000 1.078 121 L CA 0.818 55.648 54.840 -0.017 0.000 0.749 121 L CB -1.329 40.739 42.059 0.015 0.000 0.901 121 L HN -0.228 nan 8.230 nan 0.000 0.433 122 V N -0.028 119.775 119.914 -0.185 0.000 2.307 122 V HA -0.263 3.859 4.120 0.002 0.000 0.245 122 V C 2.453 178.313 176.094 -0.390 0.000 1.045 122 V CA 1.375 63.514 62.300 -0.268 0.000 1.024 122 V CB -0.275 31.296 31.823 -0.420 0.000 0.651 122 V HN 0.245 nan 8.190 nan 0.000 0.449 123 I N -0.228 119.933 120.570 -0.681 0.000 2.163 123 I HA -0.248 3.923 4.170 0.002 0.000 0.243 123 I C 2.394 178.184 176.117 -0.545 0.000 1.085 123 I CA 1.805 62.543 61.300 -0.936 0.000 1.347 123 I CB -1.232 35.924 38.000 -1.407 0.000 1.044 123 I HN 0.270 nan 8.210 nan 0.000 0.408 124 L N 0.360 121.418 121.223 -0.274 0.000 2.083 124 L HA -0.141 4.200 4.340 0.002 0.000 0.209 124 L C 2.645 179.478 176.870 -0.061 0.000 1.083 124 L CA 1.444 56.246 54.840 -0.063 0.000 0.752 124 L CB -1.082 41.011 42.059 0.056 0.000 0.899 124 L HN 0.307 nan 8.230 nan 0.000 0.433 125 G N -0.882 107.858 108.800 -0.100 0.000 2.418 125 G HA2 -0.244 3.718 3.960 0.002 0.000 0.217 125 G HA3 -0.244 3.718 3.960 0.002 0.000 0.217 125 G C 1.628 176.484 174.900 -0.073 0.000 1.158 125 G CA 0.925 45.969 45.100 -0.092 0.000 0.771 125 G HN 0.389 nan 8.290 nan 0.000 0.545 126 C N 0.252 119.511 119.300 -0.068 0.000 2.432 126 C HA 0.053 4.514 4.460 0.002 0.000 0.277 126 C C 2.836 177.915 174.990 0.150 0.000 1.249 126 C CA 0.481 59.520 59.018 0.034 0.000 1.725 126 C CB -0.983 26.786 27.740 0.049 0.000 2.028 126 C HN 0.481 nan 8.230 nan 0.000 0.477 127 I N 0.524 121.183 120.570 0.148 0.000 2.208 127 I HA -0.253 3.918 4.170 0.002 0.000 0.245 127 I C 2.779 179.051 176.117 0.258 0.000 1.097 127 I CA 1.617 63.117 61.300 0.333 0.000 1.363 127 I CB -0.444 37.732 38.000 0.294 0.000 1.051 127 I HN 0.357 nan 8.210 nan 0.000 0.413 128 R N 0.512 121.093 120.500 0.135 0.000 2.075 128 R HA -0.059 4.282 4.340 0.002 0.000 0.232 128 R C 2.130 178.543 176.300 0.189 0.000 1.126 128 R CA 1.450 57.629 56.100 0.130 0.000 0.963 128 R CB -0.367 29.956 30.300 0.038 0.000 0.858 128 R HN 0.331 nan 8.270 nan 0.000 0.435 129 A N 0.068 122.947 122.820 0.098 0.000 2.251 129 A HA 0.236 4.558 4.320 0.002 0.000 0.209 129 A C 1.227 178.899 177.584 0.147 0.000 1.187 129 A CA 0.603 52.717 52.037 0.128 0.000 0.823 129 A CB -0.026 18.986 19.000 0.021 0.000 0.846 129 A HN 0.451 nan 8.150 nan 0.000 0.486 130 G N -0.673 108.232 108.800 0.175 0.000 2.176 130 G HA2 -0.210 3.751 3.960 0.002 0.000 0.252 130 G HA3 -0.210 3.751 3.960 0.002 0.000 0.252 130 G C -0.076 174.962 174.900 0.230 0.000 1.024 130 G CA 0.445 45.668 45.100 0.206 0.000 0.755 130 G HN 0.495 nan 8.290 nan 0.000 0.507 131 L N 0.002 121.356 121.223 0.217 0.000 2.322 131 L HA 0.587 4.929 4.340 0.002 0.000 0.279 131 L C 0.984 177.954 176.870 0.167 0.000 1.036 131 L CA -1.201 53.732 54.840 0.155 0.000 0.807 131 L CB 1.502 43.626 42.059 0.107 0.000 1.226 131 L HN 0.002 nan 8.230 nan 0.000 0.433 132 I N 3.370 123.984 120.570 0.073 0.000 2.322 132 I HA 0.123 4.295 4.170 0.002 0.000 0.292 132 I C -0.108 175.985 176.117 -0.040 0.000 1.060 132 I CA -0.288 60.984 61.300 -0.046 0.000 1.309 132 I CB -0.009 37.939 38.000 -0.086 0.000 1.415 132 I HN 0.381 nan 8.210 nan 0.000 0.492 133 F N 5.729 125.604 119.950 -0.125 0.000 2.384 133 F HA 0.684 5.212 4.527 0.001 0.000 0.338 133 F C -0.151 175.522 175.800 -0.212 0.000 1.103 133 F CA -0.986 56.910 58.000 -0.173 0.000 1.157 133 F CB 0.613 39.469 39.000 -0.240 0.000 1.167 133 F HN 0.241 nan 8.300 nan 0.000 0.529 134 M N 4.419 123.981 119.600 -0.064 0.000 1.960 134 M HA 0.335 4.816 4.480 0.002 0.000 0.271 134 M C -2.878 173.407 176.300 -0.025 0.000 0.862 134 M CA -1.565 53.659 55.300 -0.127 0.000 0.854 134 M CB 1.321 33.929 32.600 0.015 0.000 1.575 134 M HN 0.319 nan 8.290 nan 0.000 0.375 135 P HA 0.486 nan 4.420 nan 0.000 0.278 135 P C -0.062 177.347 177.300 0.182 0.000 1.238 135 P CA -0.054 63.135 63.100 0.148 0.000 0.794 135 P CB 1.212 33.122 31.700 0.350 0.000 0.955 136 G N -0.235 108.695 108.800 0.217 0.000 2.690 136 G HA2 0.470 4.432 3.960 0.002 0.000 0.293 136 G HA3 0.470 4.432 3.960 0.002 0.000 0.293 136 G C -1.204 173.802 174.900 0.177 0.000 1.399 136 G CA -0.483 44.733 45.100 0.195 0.000 0.890 136 G HN 0.464 nan 8.290 nan 0.000 0.485 137 T N 0.102 114.757 114.554 0.168 0.000 2.919 137 T HA 0.201 4.552 4.350 0.002 0.000 0.302 137 T C 2.064 176.832 174.700 0.115 0.000 1.031 137 T CA 0.065 62.252 62.100 0.145 0.000 1.127 137 T CB 0.141 69.115 68.868 0.176 0.000 0.952 137 T HN 0.673 nan 8.240 nan 0.000 0.540 138 I N 2.330 122.958 120.570 0.096 0.000 2.916 138 I HA -0.056 4.115 4.170 0.002 0.000 0.267 138 I C 2.108 178.260 176.117 0.058 0.000 1.263 138 I CA 0.854 62.199 61.300 0.075 0.000 1.471 138 I CB -0.425 37.617 38.000 0.069 0.000 1.089 138 I HN 0.639 nan 8.210 nan 0.000 0.468 139 Q N 0.945 120.784 119.800 0.066 0.000 2.369 139 Q HA 0.105 4.446 4.340 0.002 0.000 0.206 139 Q C 0.850 176.859 176.000 0.014 0.000 0.963 139 Q CA 0.407 56.233 55.803 0.038 0.000 0.894 139 Q CB -0.003 28.771 28.738 0.060 0.000 0.965 139 Q HN 0.571 nan 8.270 nan 0.000 0.475 140 M N 1.451 121.073 119.600 0.037 0.000 2.250 140 M HA -0.033 4.449 4.480 0.002 0.000 0.337 140 M C 0.214 176.507 176.300 -0.012 0.000 1.161 140 M CA 0.808 56.113 55.300 0.008 0.000 1.088 140 M CB 0.368 32.984 32.600 0.026 0.000 1.639 140 M HN -0.144 nan 8.290 nan 0.000 0.447 141 K N 0.934 121.311 120.400 -0.038 0.000 2.210 141 K HA 0.305 4.627 4.320 0.002 0.000 0.236 141 K C 1.166 177.754 176.600 -0.019 0.000 1.016 141 K CA -0.145 56.121 56.287 -0.036 0.000 0.913 141 K CB 1.046 33.507 32.500 -0.066 0.000 1.141 141 K HN 0.780 nan 8.250 nan 0.000 0.462 142 S N -0.038 115.656 115.700 -0.009 0.000 2.365 142 S HA -0.193 4.278 4.470 0.002 0.000 0.225 142 S C 1.768 176.370 174.600 0.004 0.000 1.039 142 S CA 2.178 60.382 58.200 0.007 0.000 1.033 142 S CB -0.674 62.533 63.200 0.011 0.000 0.887 142 S HN 0.612 nan 8.310 nan 0.000 0.447 143 T N 2.379 116.927 114.554 -0.011 0.000 2.788 143 T HA -0.083 4.268 4.350 0.002 0.000 0.268 143 T C 1.422 176.123 174.700 0.001 0.000 1.044 143 T CA 1.493 63.590 62.100 -0.005 0.000 1.139 143 T CB -0.575 68.276 68.868 -0.028 0.000 0.867 143 T HN 0.479 nan 8.240 nan 0.000 0.454 144 D N 1.063 121.446 120.400 -0.028 0.000 2.117 144 D HA -0.010 4.632 4.640 0.002 0.000 0.197 144 D C 2.096 178.389 176.300 -0.011 0.000 0.987 144 D CA 0.862 54.841 54.000 -0.035 0.000 0.829 144 D CB -0.231 40.534 40.800 -0.058 0.000 0.961 144 D HN 0.384 nan 8.370 nan 0.000 0.460 145 I N 0.555 121.121 120.570 -0.006 0.000 2.202 145 I HA -0.217 3.955 4.170 0.002 0.000 0.242 145 I C 2.429 178.546 176.117 -0.000 0.000 1.091 145 I CA 0.336 61.632 61.300 -0.006 0.000 1.368 145 I CB -0.155 37.858 38.000 0.022 0.000 1.058 145 I HN -0.038 nan 8.210 nan 0.000 0.410 146 L N 0.475 121.711 121.223 0.022 0.000 2.013 146 L HA -0.305 4.036 4.340 0.002 0.000 0.212 146 L C 2.535 179.424 176.870 0.033 0.000 1.073 146 L CA 2.048 56.904 54.840 0.027 0.000 0.753 146 L CB -1.019 41.063 42.059 0.038 0.000 0.890 146 L HN 0.257 nan 8.230 nan 0.000 0.432 147 Y N 0.321 120.582 120.300 -0.066 0.000 2.097 147 Y HA -0.298 4.253 4.550 0.002 0.000 0.282 147 Y C 2.741 178.583 175.900 -0.096 0.000 1.152 147 Y CA 2.232 60.293 58.100 -0.066 0.000 1.136 147 Y CB -0.219 38.189 38.460 -0.086 0.000 0.975 147 Y HN 0.162 nan 8.280 nan 0.000 0.498 148 R N -0.246 120.125 120.500 -0.214 0.000 2.075 148 R HA -0.119 4.222 4.340 0.002 0.000 0.232 148 R C 2.335 178.588 176.300 -0.079 0.000 1.126 148 R CA 1.762 57.597 56.100 -0.441 0.000 0.963 148 R CB -0.481 29.396 30.300 -0.704 0.000 0.858 148 R HN 0.380 nan 8.270 nan 0.000 0.435 149 L N 0.389 121.579 121.223 -0.055 0.000 2.083 149 L HA -0.199 4.143 4.340 0.002 0.000 0.209 149 L C 2.524 179.384 176.870 -0.016 0.000 1.083 149 L CA 1.414 56.249 54.840 -0.008 0.000 0.752 149 L CB -0.390 41.663 42.059 -0.010 0.000 0.899 149 L HN 0.278 nan 8.230 nan 0.000 0.433 150 Q N -0.949 118.821 119.800 -0.049 0.000 2.083 150 Q HA -0.127 4.214 4.340 0.002 0.000 0.198 150 Q C 2.383 178.342 176.000 -0.069 0.000 0.969 150 Q CA 1.118 56.890 55.803 -0.053 0.000 0.838 150 Q CB 0.078 28.786 28.738 -0.050 0.000 0.900 150 Q HN 0.411 nan 8.270 nan 0.000 0.436 151 M N 0.056 119.579 119.600 -0.129 0.000 2.175 151 M HA -0.101 4.381 4.480 0.002 0.000 0.264 151 M C 2.334 178.631 176.300 -0.005 0.000 1.063 151 M CA 1.468 56.701 55.300 -0.112 0.000 1.119 151 M CB -0.811 31.647 32.600 -0.237 0.000 1.377 151 M HN 0.173 nan 8.290 nan 0.000 0.415 152 S N -0.563 115.181 115.700 0.074 0.000 2.496 152 S HA 0.007 4.479 4.470 0.002 0.000 0.224 152 S C 0.793 175.404 174.600 0.018 0.000 0.996 152 S CA 0.080 58.317 58.200 0.061 0.000 0.927 152 S CB -0.251 63.035 63.200 0.144 0.000 0.774 152 S HN 0.472 nan 8.310 nan 0.000 0.524 153 K N 1.081 121.486 120.400 0.009 0.000 3.077 153 K HA -0.146 4.175 4.320 0.002 0.000 0.264 153 K C 0.169 176.771 176.600 0.004 0.000 1.008 153 K CA 0.194 56.480 56.287 -0.001 0.000 0.740 153 K CB -2.468 30.028 32.500 -0.007 0.000 1.273 153 K HN 0.673 nan 8.250 nan 0.000 0.477 154 A N 0.983 123.812 122.820 0.014 0.000 2.565 154 A HA 0.000 4.321 4.320 0.002 0.000 0.237 154 A C 1.115 178.699 177.584 -0.000 0.000 1.053 154 A CA 0.588 52.634 52.037 0.014 0.000 0.755 154 A CB 0.294 19.309 19.000 0.026 0.000 0.980 154 A HN 0.410 nan 8.150 nan 0.000 0.506 155 K N 0.680 121.080 120.400 0.000 0.000 2.314 155 K HA 0.346 4.668 4.320 0.002 0.000 0.198 155 K C 0.469 177.062 176.600 -0.013 0.000 1.045 155 K CA 1.208 57.492 56.287 -0.006 0.000 0.988 155 K CB 0.344 32.844 32.500 0.001 0.000 0.783 155 K HN 0.858 nan 8.250 nan 0.000 0.484 156 A N 0.433 123.250 122.820 -0.005 0.000 2.539 156 A HA 0.678 4.999 4.320 0.002 0.000 0.296 156 A C -1.721 175.865 177.584 0.003 0.000 1.073 156 A CA -0.689 51.343 52.037 -0.008 0.000 0.700 156 A CB 1.160 20.166 19.000 0.009 0.000 1.296 156 A HN 0.153 nan 8.150 nan 0.000 0.405 157 I N 1.082 121.653 120.570 0.003 0.000 2.582 157 I HA 0.670 4.841 4.170 0.002 0.000 0.292 157 I C -1.628 174.555 176.117 0.110 0.000 1.066 157 I CA -0.804 60.526 61.300 0.050 0.000 1.053 157 I CB 2.053 40.087 38.000 0.056 0.000 1.241 157 I HN 0.361 nan 8.210 nan 0.000 0.421 158 V N 7.714 127.684 119.914 0.093 0.000 2.350 158 V HA 0.841 4.962 4.120 0.002 0.000 0.285 158 V C 0.119 176.265 176.094 0.085 0.000 1.014 158 V CA -0.163 62.181 62.300 0.072 0.000 0.831 158 V CB 0.794 32.565 31.823 -0.087 0.000 1.000 158 V HN 0.848 nan 8.190 nan 0.000 0.433 159 A N 3.832 126.742 122.820 0.150 0.000 2.485 159 A HA 1.019 5.340 4.320 0.002 0.000 0.292 159 A C 0.117 177.652 177.584 -0.081 0.000 1.147 159 A CA -0.124 51.952 52.037 0.065 0.000 0.750 159 A CB 1.901 20.993 19.000 0.154 0.000 1.331 159 A HN 0.917 nan 8.150 nan 0.000 0.419 160 G N -1.191 107.559 108.800 -0.083 0.000 2.820 160 G HA2 0.468 4.429 3.960 0.002 0.000 0.291 160 G HA3 0.468 4.429 3.960 0.002 0.000 0.291 160 G C -0.320 174.481 174.900 -0.165 0.000 1.323 160 G CA -0.169 44.865 45.100 -0.110 0.000 1.055 160 G HN 0.498 nan 8.290 nan 0.000 0.520 161 D N -0.642 119.681 120.400 -0.128 0.000 2.182 161 D HA -0.132 4.510 4.640 0.002 0.000 0.201 161 D C 2.067 178.316 176.300 -0.085 0.000 0.986 161 D CA 1.363 55.287 54.000 -0.128 0.000 0.847 161 D CB 0.079 40.837 40.800 -0.071 0.000 0.942 161 D HN 0.599 nan 8.370 nan 0.000 0.467 162 E N 0.605 120.780 120.200 -0.042 0.000 2.110 162 E HA -0.146 4.206 4.350 0.002 0.000 0.193 162 E C 1.693 178.285 176.600 -0.014 0.000 0.988 162 E CA 1.283 57.675 56.400 -0.013 0.000 0.804 162 E CB 0.136 29.845 29.700 0.015 0.000 0.745 162 E HN 0.249 nan 8.360 nan 0.000 0.458 163 V N -1.320 118.582 119.914 -0.020 0.000 3.578 163 V HA 0.138 4.259 4.120 0.002 0.000 0.290 163 V C 2.174 178.281 176.094 0.020 0.000 1.376 163 V CA 0.388 62.695 62.300 0.011 0.000 1.083 163 V CB -0.592 31.258 31.823 0.045 0.000 0.911 163 V HN 0.343 nan 8.190 nan 0.000 0.433 164 I N -1.743 118.782 120.570 -0.075 0.000 2.118 164 I HA -0.269 3.903 4.170 0.002 0.000 0.241 164 I C 2.533 178.721 176.117 0.118 0.000 1.070 164 I CA 2.286 63.538 61.300 -0.079 0.000 1.327 164 I CB -2.263 35.536 38.000 -0.334 0.000 1.034 164 I HN 0.522 nan 8.210 nan 0.000 0.405 165 Q N -0.222 119.611 119.800 0.056 0.000 2.119 165 Q HA -0.228 4.113 4.340 0.002 0.000 0.201 165 Q C 2.297 178.347 176.000 0.082 0.000 0.972 165 Q CA 2.132 57.980 55.803 0.075 0.000 0.847 165 Q CB -0.666 28.096 28.738 0.039 0.000 0.903 165 Q HN 0.879 nan 8.270 nan 0.000 0.433 166 E N -0.613 119.628 120.200 0.068 0.000 2.077 166 E HA -0.088 4.263 4.350 0.002 0.000 0.193 166 E C 1.912 178.564 176.600 0.087 0.000 0.989 166 E CA 1.395 57.831 56.400 0.060 0.000 0.800 166 E CB -0.219 29.505 29.700 0.041 0.000 0.746 166 E HN 0.357 nan 8.360 nan 0.000 0.452 167 V N 1.277 121.278 119.914 0.144 0.000 2.307 167 V HA -0.228 3.894 4.120 0.002 0.000 0.245 167 V C 1.340 177.522 176.094 0.147 0.000 1.045 167 V CA 1.977 64.382 62.300 0.176 0.000 1.024 167 V CB -0.369 31.655 31.823 0.335 0.000 0.651 167 V HN 0.235 nan 8.190 nan 0.000 0.449 168 D N -0.493 120.025 120.400 0.198 0.000 2.269 168 D HA -0.093 4.549 4.640 0.002 0.000 0.208 168 D C 2.198 178.546 176.300 0.079 0.000 0.963 168 D CA 1.181 55.267 54.000 0.143 0.000 0.864 168 D CB -0.177 40.750 40.800 0.211 0.000 0.936 168 D HN 0.372 nan 8.370 nan 0.000 0.505 169 T N -0.200 114.397 114.554 0.072 0.000 2.867 169 T HA -0.075 4.276 4.350 0.002 0.000 0.268 169 T C 1.881 176.601 174.700 0.032 0.000 1.057 169 T CA 1.306 63.433 62.100 0.046 0.000 1.136 169 T CB 0.175 69.067 68.868 0.039 0.000 0.874 169 T HN 0.197 nan 8.240 nan 0.000 0.466 170 V N -1.897 118.036 119.914 0.033 0.000 3.432 170 V HA 0.652 4.774 4.120 0.002 0.000 0.298 170 V C 2.249 178.347 176.094 0.006 0.000 1.464 170 V CA 0.200 62.512 62.300 0.019 0.000 1.046 170 V CB -0.569 31.267 31.823 0.021 0.000 0.887 170 V HN 0.271 nan 8.190 nan 0.000 0.441 171 A N 2.443 125.263 122.820 -0.001 0.000 1.917 171 A HA -0.187 4.134 4.320 0.002 0.000 0.219 171 A C 2.454 180.016 177.584 -0.037 0.000 1.182 171 A CA 2.664 54.680 52.037 -0.035 0.000 0.633 171 A CB -0.908 18.047 19.000 -0.074 0.000 0.819 171 A HN 1.048 nan 8.150 nan 0.000 0.448 172 S N -0.307 115.379 115.700 -0.025 0.000 2.481 172 S HA -0.064 4.407 4.470 0.002 0.000 0.231 172 S C 1.165 175.756 174.600 -0.015 0.000 0.996 172 S CA 1.040 59.227 58.200 -0.023 0.000 0.942 172 S CB -0.347 62.845 63.200 -0.014 0.000 0.768 172 S HN 0.678 nan 8.310 nan 0.000 0.520 173 E N 0.091 120.285 120.200 -0.009 0.000 2.476 173 E HA 0.120 4.472 4.350 0.002 0.000 0.191 173 E C -0.619 175.975 176.600 -0.009 0.000 1.064 173 E CA -0.175 56.222 56.400 -0.005 0.000 0.866 173 E CB 0.004 29.705 29.700 0.002 0.000 0.952 173 E HN 0.495 nan 8.360 nan 0.000 0.492 174 C N 1.645 120.935 119.300 -0.017 0.000 2.357 174 C HA 0.237 4.698 4.460 0.002 0.000 0.300 174 C C -1.318 173.658 174.990 -0.025 0.000 1.074 174 C CA -1.533 57.472 59.018 -0.021 0.000 1.566 174 C CB 0.159 27.883 27.740 -0.026 0.000 1.791 174 C HN 0.244 nan 8.230 nan 0.000 0.415 175 P HA -0.124 nan 4.420 nan 0.000 0.216 175 P C 1.649 178.936 177.300 -0.021 0.000 1.153 175 P CA 1.503 64.592 63.100 -0.019 0.000 0.858 175 P CB 0.165 31.857 31.700 -0.013 0.000 0.789 176 S N -0.961 114.728 115.700 -0.019 0.000 2.453 176 S HA -0.042 4.429 4.470 0.002 0.000 0.231 176 S C 0.850 175.435 174.600 -0.024 0.000 1.005 176 S CA 0.021 58.210 58.200 -0.018 0.000 0.949 176 S CB -0.769 62.423 63.200 -0.013 0.000 0.774 176 S HN 0.038 nan 8.310 nan 0.000 0.510 177 L N 2.822 124.025 121.223 -0.033 0.000 2.530 177 L HA 0.184 4.526 4.340 0.002 0.000 0.273 177 L C 1.127 177.961 176.870 -0.060 0.000 1.141 177 L CA 0.366 55.176 54.840 -0.049 0.000 0.905 177 L CB 0.255 42.276 42.059 -0.064 0.000 1.202 177 L HN -0.021 nan 8.230 nan 0.000 0.473 178 R N 4.156 124.624 120.500 -0.053 0.000 2.250 178 R HA 0.318 4.660 4.340 0.002 0.000 0.194 178 R C -0.285 175.976 176.300 -0.066 0.000 0.927 178 R CA 0.034 56.103 56.100 -0.052 0.000 1.052 178 R CB 0.583 30.865 30.300 -0.030 0.000 1.055 178 R HN 0.484 nan 8.270 nan 0.000 0.537 179 I N 2.085 122.614 120.570 -0.069 0.000 2.466 179 I HA 0.323 4.494 4.170 0.002 0.000 0.289 179 I C -1.078 174.970 176.117 -0.115 0.000 1.026 179 I CA -0.657 60.602 61.300 -0.068 0.000 1.078 179 I CB 1.942 39.932 38.000 -0.016 0.000 1.249 179 I HN 0.027 nan 8.210 nan 0.000 0.429 180 K N 7.107 127.395 120.400 -0.187 0.000 2.483 180 K HA 0.588 4.909 4.320 0.002 0.000 0.256 180 K C -1.049 175.571 176.600 0.034 0.000 0.961 180 K CA -0.586 55.501 56.287 -0.333 0.000 0.873 180 K CB 2.392 34.267 32.500 -1.040 0.000 1.107 180 K HN 0.433 nan 8.250 nan 0.000 0.432 181 L N 4.286 125.669 121.223 0.266 0.000 2.287 181 L HA 0.377 4.718 4.340 0.002 0.000 0.287 181 L C -0.839 176.325 176.870 0.489 0.000 1.022 181 L CA -1.096 53.968 54.840 0.372 0.000 0.814 181 L CB 1.117 43.332 42.059 0.261 0.000 1.217 181 L HN 0.374 nan 8.230 nan 0.000 0.420 182 L N 5.256 126.740 121.223 0.434 0.000 2.282 182 L HA 0.452 4.794 4.340 0.002 0.000 0.288 182 L C -0.537 176.382 176.870 0.082 0.000 1.033 182 L CA -0.153 54.743 54.840 0.094 0.000 0.807 182 L CB 1.682 43.665 42.059 -0.128 0.000 1.209 182 L HN 0.229 nan 8.230 nan 0.000 0.423 183 V N 5.148 125.051 119.914 -0.020 0.000 2.334 183 V HA 0.714 4.835 4.120 0.002 0.000 0.267 183 V C 0.137 176.223 176.094 -0.013 0.000 1.040 183 V CA 0.022 62.326 62.300 0.007 0.000 0.866 183 V CB 0.394 32.159 31.823 -0.096 0.000 1.019 183 V HN 0.892 nan 8.190 nan 0.000 0.468 184 S N 2.940 118.652 115.700 0.021 0.000 2.595 184 S HA 0.343 4.814 4.470 0.002 0.000 0.270 184 S C 0.254 174.867 174.600 0.021 0.000 1.145 184 S CA -0.559 57.639 58.200 -0.003 0.000 0.825 184 S CB 1.942 65.108 63.200 -0.057 0.000 1.107 184 S HN 0.608 nan 8.310 nan 0.000 0.461 185 E N 1.093 121.303 120.200 0.017 0.000 2.358 185 E HA 0.103 4.454 4.350 0.002 0.000 0.195 185 E C -0.139 176.470 176.600 0.015 0.000 1.010 185 E CA 0.754 57.168 56.400 0.023 0.000 0.856 185 E CB 0.041 29.757 29.700 0.028 0.000 0.795 185 E HN 0.443 nan 8.360 nan 0.000 0.504 186 K N 0.720 121.120 120.400 0.001 0.000 2.138 186 K HA 0.394 4.715 4.320 0.002 0.000 0.263 186 K C 0.110 176.708 176.600 -0.004 0.000 0.965 186 K CA -0.372 55.913 56.287 -0.004 0.000 0.868 186 K CB 1.890 34.379 32.500 -0.018 0.000 1.083 186 K HN -0.227 nan 8.250 nan 0.000 0.443 187 S N 0.595 116.303 115.700 0.013 0.000 2.617 187 S HA 0.307 4.779 4.470 0.002 0.000 0.269 187 S C -0.691 173.924 174.600 0.024 0.000 1.292 187 S CA -0.618 57.600 58.200 0.031 0.000 1.010 187 S CB 0.758 63.985 63.200 0.045 0.000 0.944 187 S HN 0.684 nan 8.310 nan 0.000 0.536 188 C N 2.401 121.737 119.300 0.060 0.000 2.880 188 C HA 0.442 4.903 4.460 0.002 0.000 0.320 188 C C -1.463 173.642 174.990 0.193 0.000 1.176 188 C CA -1.009 58.059 59.018 0.083 0.000 1.390 188 C CB 0.611 28.339 27.740 -0.020 0.000 1.846 188 C HN 0.891 nan 8.230 nan 0.000 0.478 189 D N 2.173 122.673 120.400 0.166 0.000 2.455 189 D HA 0.447 5.088 4.640 0.002 0.000 0.241 189 D C 1.216 177.650 176.300 0.223 0.000 1.138 189 D CA 2.050 56.145 54.000 0.157 0.000 0.877 189 D CB 0.596 41.458 40.800 0.103 0.000 1.187 189 D HN 1.303 nan 8.370 nan 0.000 0.451 190 G N 0.800 109.683 108.800 0.138 0.000 2.199 190 G HA2 -0.259 3.703 3.960 0.002 0.000 0.254 190 G HA3 -0.259 3.703 3.960 0.002 0.000 0.254 190 G C -0.346 174.520 174.900 -0.057 0.000 0.982 190 G CA -0.313 44.803 45.100 0.027 0.000 0.632 190 G HN 0.426 nan 8.290 nan 0.000 0.529 191 W N 0.660 121.976 121.300 0.027 0.000 2.656 191 W HA 0.740 5.401 4.660 0.002 0.000 0.327 191 W C 0.451 176.994 176.519 0.040 0.000 1.041 191 W CA -1.044 56.321 57.345 0.034 0.000 1.229 191 W CB 1.001 30.483 29.460 0.036 0.000 1.397 191 W HN 0.058 nan 8.180 nan 0.000 0.479 192 L N 3.778 125.161 121.223 0.266 0.000 2.416 192 L HA 0.126 4.467 4.340 0.002 0.000 0.272 192 L C 0.795 177.806 176.870 0.235 0.000 1.161 192 L CA -0.292 54.666 54.840 0.196 0.000 0.845 192 L CB 0.281 42.425 42.059 0.141 0.000 1.119 192 L HN 0.406 nan 8.230 nan 0.000 0.464 193 N N 2.393 121.193 118.700 0.166 0.000 2.402 193 N HA -0.039 4.703 4.740 0.002 0.000 0.252 193 N C 0.518 176.123 175.510 0.159 0.000 1.118 193 N CA 0.071 53.212 53.050 0.152 0.000 0.945 193 N CB 0.574 39.117 38.487 0.093 0.000 1.147 193 N HN 0.536 nan 8.380 nan 0.000 0.495 194 F N 5.020 125.005 119.950 0.059 0.000 2.113 194 F HA -0.056 4.472 4.527 0.002 0.000 0.297 194 F C 1.813 177.629 175.800 0.027 0.000 1.103 194 F CA 1.454 59.480 58.000 0.042 0.000 1.248 194 F CB 0.248 39.272 39.000 0.040 0.000 0.999 194 F HN 0.460 nan 8.300 nan 0.000 0.475 195 K N 0.067 120.547 120.400 0.133 0.000 2.097 195 K HA -0.184 4.137 4.320 0.002 0.000 0.206 195 K C 2.395 178.953 176.600 -0.070 0.000 1.049 195 K CA 1.596 57.895 56.287 0.020 0.000 0.933 195 K CB -0.252 32.309 32.500 0.102 0.000 0.717 195 K HN 0.082 nan 8.250 nan 0.000 0.442 196 K N 1.135 121.515 120.400 -0.034 0.000 2.025 196 K HA -0.008 4.314 4.320 0.002 0.000 0.207 196 K C 2.012 178.563 176.600 -0.081 0.000 1.049 196 K CA 0.882 57.147 56.287 -0.037 0.000 0.933 196 K CB -0.548 31.951 32.500 -0.003 0.000 0.714 196 K HN 0.204 nan 8.250 nan 0.000 0.438 197 L N 0.268 121.422 121.223 -0.115 0.000 2.056 197 L HA -0.063 4.279 4.340 0.002 0.000 0.207 197 L C 2.646 179.386 176.870 -0.218 0.000 1.078 197 L CA 1.291 56.046 54.840 -0.141 0.000 0.749 197 L CB -0.539 41.447 42.059 -0.122 0.000 0.901 197 L HN 0.243 nan 8.230 nan 0.000 0.433 198 L N 0.414 121.408 121.223 -0.382 0.000 2.013 198 L HA -0.260 4.081 4.340 0.002 0.000 0.212 198 L C 2.047 178.807 176.870 -0.183 0.000 1.073 198 L CA 1.965 56.574 54.840 -0.385 0.000 0.753 198 L CB -0.581 41.152 42.059 -0.543 0.000 0.890 198 L HN 0.227 nan 8.230 nan 0.000 0.432 199 N N -0.570 118.050 118.700 -0.132 0.000 2.289 199 N HA -0.157 4.585 4.740 0.002 0.000 0.184 199 N C 1.554 177.029 175.510 -0.057 0.000 1.016 199 N CA 1.256 54.264 53.050 -0.070 0.000 0.872 199 N CB -0.009 38.449 38.487 -0.047 0.000 0.973 199 N HN 0.523 nan 8.380 nan 0.000 0.433 200 E N -0.283 119.876 120.200 -0.067 0.000 2.318 200 E HA 0.161 4.512 4.350 0.002 0.000 0.193 200 E C 0.294 176.865 176.600 -0.047 0.000 0.998 200 E CA -0.073 56.298 56.400 -0.048 0.000 0.859 200 E CB 0.237 29.911 29.700 -0.043 0.000 0.812 200 E HN 0.287 nan 8.360 nan 0.000 0.492 201 A N 1.342 124.123 122.820 -0.066 0.000 2.386 201 A HA 0.187 4.508 4.320 0.002 0.000 0.248 201 A C 0.346 177.907 177.584 -0.039 0.000 1.082 201 A CA -0.203 51.801 52.037 -0.056 0.000 0.789 201 A CB 0.754 19.705 19.000 -0.081 0.000 1.025 201 A HN 0.090 nan 8.150 nan 0.000 0.490 202 S N -0.323 115.361 115.700 -0.027 0.000 2.572 202 S HA 0.217 4.688 4.470 0.002 0.000 0.279 202 S C 1.467 176.054 174.600 -0.021 0.000 1.341 202 S CA 0.259 58.445 58.200 -0.023 0.000 1.043 202 S CB 0.278 63.464 63.200 -0.023 0.000 0.887 202 S HN 1.239 nan 8.310 nan 0.000 0.516 203 T N 1.141 115.684 114.554 -0.018 0.000 3.129 203 T HA 0.169 4.521 4.350 0.002 0.000 0.251 203 T C 0.408 175.098 174.700 -0.017 0.000 1.117 203 T CA -0.013 62.081 62.100 -0.011 0.000 1.034 203 T CB -0.325 68.541 68.868 -0.002 0.000 0.968 203 T HN 0.469 nan 8.240 nan 0.000 0.526 204 T N 2.837 117.366 114.554 -0.041 0.000 2.772 204 T HA 0.357 4.709 4.350 0.002 0.000 0.288 204 T C -1.156 173.464 174.700 -0.133 0.000 0.994 204 T CA -0.627 61.414 62.100 -0.098 0.000 0.951 204 T CB 0.930 69.718 68.868 -0.135 0.000 0.933 204 T HN 0.435 nan 8.240 nan 0.000 0.447 205 H N 2.737 121.663 119.070 -0.239 0.000 2.679 205 H HA 0.303 4.860 4.556 0.002 0.000 0.360 205 H C -1.026 174.152 175.328 -0.250 0.000 1.105 205 H CA -0.583 55.318 56.048 -0.245 0.000 1.196 205 H CB 1.114 30.815 29.762 -0.101 0.000 1.636 205 H HN 0.708 nan 8.280 nan 0.000 0.531 206 H N 3.412 122.127 119.070 -0.591 0.000 2.846 206 H HA 0.127 4.685 4.556 0.002 0.000 0.278 206 H C 0.377 175.432 175.328 -0.456 0.000 1.117 206 H CA -0.248 55.568 56.048 -0.387 0.000 1.406 206 H CB 0.316 29.918 29.762 -0.266 0.000 1.445 206 H HN 0.448 nan 8.280 nan 0.000 0.469 207 C N 4.779 124.064 119.300 -0.024 0.000 2.611 207 C HA 0.035 4.496 4.460 0.002 0.000 0.416 207 C C 0.817 175.818 174.990 0.019 0.000 1.366 207 C CA -0.511 58.558 59.018 0.085 0.000 1.761 207 C CB -0.884 26.900 27.740 0.073 0.000 2.619 207 C HN 0.604 nan 8.230 nan 0.000 0.606 208 V N 7.704 127.651 119.914 0.055 0.000 2.585 208 V HA 0.071 4.192 4.120 0.002 0.000 0.296 208 V C 0.876 176.929 176.094 -0.068 0.000 1.035 208 V CA 0.471 62.768 62.300 -0.005 0.000 1.084 208 V CB 0.792 32.626 31.823 0.018 0.000 0.953 208 V HN 0.826 nan 8.190 nan 0.000 0.483 209 E N 3.482 123.640 120.200 -0.070 0.000 2.053 209 E HA 0.059 4.410 4.350 0.002 0.000 0.297 209 E C 0.546 177.075 176.600 -0.117 0.000 1.173 209 E CA -0.173 56.175 56.400 -0.087 0.000 1.219 209 E CB -0.243 29.420 29.700 -0.061 0.000 1.103 209 E HN 0.862 nan 8.360 nan 0.000 0.476 210 T N -1.185 113.240 114.554 -0.215 0.000 2.918 210 T HA 0.297 4.649 4.350 0.002 0.000 0.302 210 T C 0.789 175.379 174.700 -0.183 0.000 1.045 210 T CA -0.784 61.117 62.100 -0.332 0.000 1.114 210 T CB 1.617 69.925 68.868 -0.932 0.000 0.965 210 T HN 0.240 nan 8.240 nan 0.000 0.540 211 G N 0.917 109.670 108.800 -0.078 0.000 2.444 211 G HA2 0.392 4.354 3.960 0.002 0.000 0.268 211 G HA3 0.392 4.354 3.960 0.002 0.000 0.268 211 G C 0.916 175.904 174.900 0.146 0.000 1.203 211 G CA -0.746 44.377 45.100 0.039 0.000 0.835 211 G HN 0.729 nan 8.290 nan 0.000 0.543 212 S N 0.663 116.461 115.700 0.164 0.000 2.374 212 S HA -0.150 4.322 4.470 0.002 0.000 0.227 212 S C 2.190 176.900 174.600 0.183 0.000 1.037 212 S CA 1.290 59.615 58.200 0.208 0.000 1.024 212 S CB -0.066 63.212 63.200 0.130 0.000 0.861 212 S HN 0.614 nan 8.310 nan 0.000 0.456 213 Q N 0.621 120.493 119.800 0.120 0.000 2.360 213 Q HA 0.240 4.582 4.340 0.002 0.000 0.202 213 Q C 0.517 176.571 176.000 0.089 0.000 0.915 213 Q CA 0.053 55.900 55.803 0.072 0.000 0.943 213 Q CB -0.123 28.630 28.738 0.026 0.000 1.064 213 Q HN 0.645 nan 8.270 nan 0.000 0.511 214 E N 0.759 121.064 120.200 0.175 0.000 2.392 214 E HA 0.290 4.641 4.350 0.002 0.000 0.264 214 E C -0.639 176.084 176.600 0.205 0.000 1.024 214 E CA -0.269 56.253 56.400 0.202 0.000 0.903 214 E CB 0.715 30.563 29.700 0.247 0.000 0.963 214 E HN 0.161 nan 8.360 nan 0.000 0.432 215 A N 3.568 126.436 122.820 0.081 0.000 2.548 215 A HA 0.031 4.352 4.320 0.002 0.000 0.247 215 A C 0.769 178.269 177.584 -0.140 0.000 1.067 215 A CA 0.550 52.561 52.037 -0.043 0.000 0.757 215 A CB 0.710 19.676 19.000 -0.056 0.000 0.996 215 A HN 0.638 nan 8.150 nan 0.000 0.504 216 S N 1.073 116.522 115.700 -0.417 0.000 2.665 216 S HA 0.549 5.020 4.470 0.002 0.000 0.240 216 S C 0.589 174.784 174.600 -0.674 0.000 1.081 216 S CA 0.866 58.615 58.200 -0.752 0.000 0.887 216 S CB 0.001 62.505 63.200 -1.160 0.000 0.805 216 S HN 1.681 nan 8.310 nan 0.000 0.486 217 A N 0.591 123.030 122.820 -0.634 0.000 2.556 217 A HA 0.786 5.107 4.320 0.002 0.000 0.294 217 A C -1.611 175.739 177.584 -0.390 0.000 1.091 217 A CA -0.593 50.920 52.037 -0.873 0.000 0.704 217 A CB 1.105 19.338 19.000 -1.278 0.000 1.300 217 A HN 0.366 nan 8.150 nan 0.000 0.406 218 I N 1.097 121.428 120.570 -0.397 0.000 2.468 218 I HA 0.318 4.489 4.170 0.002 0.000 0.285 218 I C -1.669 174.306 176.117 -0.236 0.000 1.039 218 I CA -0.241 60.930 61.300 -0.214 0.000 1.074 218 I CB 1.696 39.560 38.000 -0.227 0.000 1.228 218 I HN 0.661 nan 8.210 nan 0.000 0.436 219 Y N 5.529 125.826 120.300 -0.005 0.000 2.331 219 Y HA 0.412 4.963 4.550 0.002 0.000 0.338 219 Y C -0.037 175.922 175.900 0.098 0.000 0.976 219 Y CA -0.408 57.757 58.100 0.108 0.000 1.137 219 Y CB 1.254 39.800 38.460 0.143 0.000 1.172 219 Y HN 0.331 nan 8.280 nan 0.000 0.478 220 F N 1.867 121.964 119.950 0.244 0.000 2.484 220 F HA 0.297 4.825 4.527 0.003 0.000 0.360 220 F C 0.790 176.745 175.800 0.258 0.000 1.101 220 F CA 0.667 58.810 58.000 0.239 0.000 1.251 220 F CB 0.917 40.047 39.000 0.218 0.000 1.132 220 F HN 0.268 nan 8.300 nan 0.000 0.570 221 T N 2.797 117.583 114.554 0.387 0.000 3.032 221 T HA 0.321 4.673 4.350 0.002 0.000 0.312 221 T C -0.650 174.185 174.700 0.224 0.000 1.078 221 T CA -0.623 61.648 62.100 0.286 0.000 1.028 221 T CB 0.790 69.811 68.868 0.256 0.000 1.091 221 T HN 0.512 nan 8.240 nan 0.000 0.457 222 S N 2.213 118.019 115.700 0.177 0.000 2.576 222 S HA 0.628 5.099 4.470 0.002 0.000 0.276 222 S C 0.682 175.333 174.600 0.084 0.000 1.339 222 S CA -0.377 57.897 58.200 0.124 0.000 1.039 222 S CB 0.977 64.243 63.200 0.110 0.000 0.902 222 S HN 0.903 nan 8.310 nan 0.000 0.516 223 G N 0.110 108.937 108.800 0.045 0.000 2.644 223 G HA2 0.418 4.380 3.960 0.002 0.000 0.307 223 G HA3 0.418 4.380 3.960 0.002 0.000 0.307 223 G C 0.714 175.621 174.900 0.012 0.000 1.250 223 G CA -0.390 44.718 45.100 0.014 0.000 0.996 223 G HN 0.586 nan 8.290 nan 0.000 0.489 224 T N -1.166 113.389 114.554 0.002 0.000 2.915 224 T HA 0.084 4.435 4.350 0.002 0.000 0.269 224 T C 1.075 175.773 174.700 -0.003 0.000 1.071 224 T CA 1.773 63.874 62.100 0.001 0.000 1.132 224 T CB -0.424 68.440 68.868 -0.008 0.000 0.878 224 T HN 1.094 nan 8.240 nan 0.000 0.479 225 S N -1.740 113.955 115.700 -0.008 0.000 2.596 225 S HA 0.654 5.125 4.470 0.002 0.000 0.270 225 S C 0.176 174.771 174.600 -0.010 0.000 1.155 225 S CA -0.050 58.145 58.200 -0.009 0.000 0.827 225 S CB 1.389 64.584 63.200 -0.009 0.000 1.130 225 S HN 0.971 nan 8.310 nan 0.000 0.467 226 G N 0.543 109.337 108.800 -0.011 0.000 2.645 226 G HA2 -0.088 3.873 3.960 0.002 0.000 0.239 226 G HA3 -0.088 3.873 3.960 0.002 0.000 0.239 226 G C -0.937 173.948 174.900 -0.026 0.000 1.331 226 G CA -0.155 44.940 45.100 -0.009 0.000 0.890 226 G HN 1.200 nan 8.290 nan 0.000 0.572 227 L N 0.810 122.021 121.223 -0.021 0.000 2.313 227 L HA 0.541 4.882 4.340 0.002 0.000 0.268 227 L C -1.900 175.003 176.870 0.055 0.000 1.010 227 L CA -2.098 52.677 54.840 -0.108 0.000 0.814 227 L CB 1.787 43.628 42.059 -0.364 0.000 1.304 227 L HN 0.386 nan 8.230 nan 0.000 0.441 228 P HA 0.043 nan 4.420 nan 0.000 0.265 228 P C -1.184 176.380 177.300 0.439 0.000 1.187 228 P CA 0.168 63.450 63.100 0.304 0.000 0.766 228 P CB 0.357 32.311 31.700 0.424 0.000 0.820 229 K N 2.042 122.588 120.400 0.244 0.000 2.106 229 K HA 0.499 4.820 4.320 0.002 0.000 0.246 229 K C 0.110 176.757 176.600 0.078 0.000 0.987 229 K CA -0.675 55.685 56.287 0.123 0.000 0.904 229 K CB 0.885 33.295 32.500 -0.150 0.000 1.071 229 K HN 0.412 nan 8.250 nan 0.000 0.453 230 M N 2.132 121.699 119.600 -0.054 0.000 2.069 230 M HA 0.223 4.704 4.480 0.002 0.000 0.349 230 M C -0.574 175.776 176.300 0.083 0.000 1.194 230 M CA -0.495 54.632 55.300 -0.287 0.000 1.081 230 M CB 1.304 33.645 32.600 -0.432 0.000 1.500 230 M HN 0.631 nan 8.290 nan 0.000 0.438 231 A N 3.787 126.697 122.820 0.151 0.000 2.269 231 A HA 0.301 4.622 4.320 0.002 0.000 0.302 231 A C -0.197 177.475 177.584 0.147 0.000 1.266 231 A CA -0.454 51.745 52.037 0.270 0.000 0.894 231 A CB 0.185 19.296 19.000 0.186 0.000 1.147 231 A HN 0.800 nan 8.150 nan 0.000 0.537 232 E N 2.524 122.743 120.200 0.031 0.000 2.200 232 E HA 0.290 4.641 4.350 0.002 0.000 0.283 232 E C -0.888 175.588 176.600 -0.206 0.000 1.015 232 E CA -0.406 55.926 56.400 -0.113 0.000 0.819 232 E CB 0.475 30.057 29.700 -0.197 0.000 1.081 232 E HN 0.796 nan 8.360 nan 0.000 0.397 233 H N 1.452 120.481 119.070 -0.069 0.000 2.569 233 H HA 0.246 4.802 4.556 0.001 0.000 0.357 233 H C -0.124 175.115 175.328 -0.147 0.000 1.153 233 H CA -0.542 55.462 56.048 -0.074 0.000 1.193 233 H CB 2.039 31.772 29.762 -0.049 0.000 1.602 233 H HN 0.623 nan 8.280 nan 0.000 0.523 234 S N 1.242 116.964 115.700 0.037 0.000 2.730 234 S HA 0.139 4.610 4.470 0.002 0.000 0.284 234 S C 0.912 175.524 174.600 0.020 0.000 1.153 234 S CA -0.552 57.651 58.200 0.004 0.000 0.995 234 S CB 0.631 63.866 63.200 0.058 0.000 1.058 234 S HN 0.552 nan 8.310 nan 0.000 0.552 235 Y N 0.948 121.348 120.300 0.167 0.000 2.256 235 Y HA -0.125 4.426 4.550 0.002 0.000 0.288 235 Y C 3.129 179.227 175.900 0.330 0.000 1.155 235 Y CA 1.803 60.073 58.100 0.282 0.000 1.203 235 Y CB -0.493 38.148 38.460 0.301 0.000 0.980 235 Y HN 0.842 nan 8.280 nan 0.000 0.530 236 S N -1.421 114.451 115.700 0.288 0.000 2.421 236 S HA -0.130 4.341 4.470 0.002 0.000 0.224 236 S C 2.142 176.739 174.600 -0.005 0.000 1.035 236 S CA 0.582 58.794 58.200 0.020 0.000 0.953 236 S CB -0.888 62.293 63.200 -0.032 0.000 0.810 236 S HN 0.441 nan 8.310 nan 0.000 0.497 237 S N 1.868 117.607 115.700 0.066 0.000 2.419 237 S HA 0.070 4.541 4.470 0.002 0.000 0.233 237 S C 1.714 176.345 174.600 0.051 0.000 1.016 237 S CA 0.873 59.129 58.200 0.094 0.000 0.974 237 S CB -0.692 62.629 63.200 0.202 0.000 0.786 237 S HN 0.542 nan 8.310 nan 0.000 0.492 238 L N 0.431 121.673 121.223 0.032 0.000 2.187 238 L HA 0.324 4.666 4.340 0.002 0.000 0.197 238 L C 3.036 179.933 176.870 0.044 0.000 1.090 238 L CA 0.855 55.672 54.840 -0.039 0.000 0.781 238 L CB -1.142 40.895 42.059 -0.038 0.000 0.956 238 L HN 0.453 nan 8.230 nan 0.000 0.463 239 G N -0.035 108.891 108.800 0.210 0.000 2.394 239 G HA2 -0.199 3.762 3.960 0.002 0.000 0.215 239 G HA3 -0.199 3.762 3.960 0.002 0.000 0.215 239 G C 1.504 176.580 174.900 0.293 0.000 1.165 239 G CA 0.430 45.844 45.100 0.522 0.000 0.784 239 G HN 0.131 nan 8.290 nan 0.000 0.535 240 L N 0.746 121.767 121.223 -0.336 0.000 2.109 240 L HA 0.181 4.522 4.340 0.002 0.000 0.207 240 L C 2.558 179.315 176.870 -0.189 0.000 1.086 240 L CA 2.019 56.501 54.840 -0.597 0.000 0.760 240 L CB -0.514 41.015 42.059 -0.883 0.000 0.910 240 L HN 0.179 nan 8.230 nan 0.000 0.437 241 K N 0.359 120.686 120.400 -0.122 0.000 2.026 241 K HA -0.080 4.242 4.320 0.002 0.000 0.208 241 K C 2.017 178.596 176.600 -0.035 0.000 1.048 241 K CA 1.885 58.113 56.287 -0.097 0.000 0.929 241 K CB -0.787 31.650 32.500 -0.104 0.000 0.713 241 K HN 0.359 nan 8.250 nan 0.000 0.439 242 A N 0.998 123.842 122.820 0.040 0.000 1.908 242 A HA -0.214 4.107 4.320 0.002 0.000 0.218 242 A C 2.198 179.906 177.584 0.207 0.000 1.181 242 A CA 2.092 54.206 52.037 0.128 0.000 0.627 242 A CB -0.667 18.433 19.000 0.167 0.000 0.818 242 A HN 0.465 nan 8.150 nan 0.000 0.445 243 K N -1.052 119.495 120.400 0.245 0.000 2.103 243 K HA -0.115 4.206 4.320 0.002 0.000 0.207 243 K C 2.035 178.709 176.600 0.124 0.000 1.048 243 K CA 1.798 58.218 56.287 0.222 0.000 0.930 243 K CB -0.231 32.395 32.500 0.209 0.000 0.716 243 K HN 0.514 nan 8.250 nan 0.000 0.444 244 M N 0.532 120.164 119.600 0.052 0.000 2.254 244 M HA -0.121 4.361 4.480 0.002 0.000 0.265 244 M C 0.934 177.254 176.300 0.033 0.000 1.066 244 M CA 1.222 56.532 55.300 0.016 0.000 1.123 244 M CB 0.183 32.755 32.600 -0.046 0.000 1.388 244 M HN 0.052 nan 8.290 nan 0.000 0.425 245 D N 0.746 121.176 120.400 0.050 0.000 2.347 245 D HA 0.126 4.768 4.640 0.002 0.000 0.213 245 D C 0.460 176.925 176.300 0.275 0.000 0.985 245 D CA 0.234 54.297 54.000 0.105 0.000 0.879 245 D CB -0.089 40.727 40.800 0.027 0.000 0.919 245 D HN 0.188 nan 8.370 nan 0.000 0.526 246 A N 0.085 123.038 122.820 0.222 0.000 2.566 246 A HA 0.369 4.690 4.320 0.002 0.000 0.245 246 A C 1.587 179.276 177.584 0.176 0.000 1.056 246 A CA 1.019 53.189 52.037 0.220 0.000 0.757 246 A CB -0.163 18.965 19.000 0.214 0.000 0.979 246 A HN 0.376 nan 8.150 nan 0.000 0.508 247 G N 1.591 110.457 108.800 0.110 0.000 2.194 247 G HA2 -0.287 3.674 3.960 0.002 0.000 0.236 247 G HA3 -0.287 3.674 3.960 0.002 0.000 0.236 247 G C 0.974 175.893 174.900 0.032 0.000 0.987 247 G CA 0.825 45.953 45.100 0.047 0.000 0.635 247 G HN 1.676 nan 8.290 nan 0.000 0.520 248 W N 2.001 123.314 121.300 0.021 0.000 2.350 248 W HA -0.114 4.547 4.660 0.001 0.000 0.289 248 W C 1.738 178.264 176.519 0.012 0.000 1.215 248 W CA 2.432 59.781 57.345 0.008 0.000 1.236 248 W CB -1.569 27.883 29.460 -0.014 0.000 1.130 248 W HN 0.691 nan 8.180 nan 0.000 0.541 249 T N -1.814 112.098 114.554 -1.069 0.000 3.007 249 T HA 0.179 4.531 4.350 0.002 0.000 0.270 249 T C 1.882 176.342 174.700 -0.400 0.000 1.107 249 T CA 1.876 63.343 62.100 -1.056 0.000 1.118 249 T CB -0.794 67.497 68.868 -0.962 0.000 0.889 249 T HN 0.662 nan 8.240 nan 0.000 0.506 250 G N 0.494 109.166 108.800 -0.214 0.000 2.195 250 G HA2 -0.200 3.761 3.960 0.002 0.000 0.246 250 G HA3 -0.200 3.761 3.960 0.002 0.000 0.246 250 G C -0.094 174.770 174.900 -0.061 0.000 0.984 250 G CA -0.006 45.043 45.100 -0.084 0.000 0.633 250 G HN 0.756 nan 8.290 nan 0.000 0.525 251 L N 1.236 122.399 121.223 -0.100 0.000 2.483 251 L HA 0.557 4.899 4.340 0.002 0.000 0.276 251 L C 0.526 177.395 176.870 -0.002 0.000 1.213 251 L CA 0.635 55.448 54.840 -0.044 0.000 0.843 251 L CB 0.565 42.589 42.059 -0.059 0.000 1.107 251 L HN 0.443 nan 8.230 nan 0.000 0.487 252 Q N 2.613 122.426 119.800 0.021 0.000 2.496 252 Q HA 0.498 4.840 4.340 0.002 0.000 0.286 252 Q C 0.766 176.782 176.000 0.026 0.000 1.103 252 Q CA -0.331 55.492 55.803 0.032 0.000 0.813 252 Q CB 1.626 30.388 28.738 0.039 0.000 1.444 252 Q HN 0.791 nan 8.270 nan 0.000 0.443 253 A N 0.704 123.531 122.820 0.011 0.000 1.958 253 A HA -0.194 4.127 4.320 0.002 0.000 0.221 253 A C 1.600 179.164 177.584 -0.033 0.000 1.178 253 A CA 2.440 54.443 52.037 -0.057 0.000 0.642 253 A CB -0.514 18.451 19.000 -0.057 0.000 0.816 253 A HN 0.648 nan 8.150 nan 0.000 0.453 254 S N -0.832 114.880 115.700 0.020 0.000 2.561 254 S HA 0.294 4.766 4.470 0.002 0.000 0.245 254 S C -0.523 174.123 174.600 0.077 0.000 1.001 254 S CA -0.571 57.658 58.200 0.048 0.000 1.002 254 S CB -0.124 63.105 63.200 0.049 0.000 0.805 254 S HN 0.353 nan 8.310 nan 0.000 0.458 255 D N 1.340 121.788 120.400 0.080 0.000 2.440 255 D HA 0.556 5.197 4.640 0.002 0.000 0.258 255 D C -0.324 176.053 176.300 0.128 0.000 1.092 255 D CA -0.613 53.444 54.000 0.095 0.000 1.016 255 D CB 1.098 41.941 40.800 0.072 0.000 1.141 255 D HN 0.236 nan 8.370 nan 0.000 0.552 256 I N 0.966 121.614 120.570 0.130 0.000 2.418 256 I HA 0.321 4.492 4.170 0.002 0.000 0.287 256 I C -0.393 175.790 176.117 0.111 0.000 1.008 256 I CA -0.543 60.850 61.300 0.156 0.000 1.104 256 I CB 1.676 39.776 38.000 0.166 0.000 1.264 256 I HN 0.053 nan 8.210 nan 0.000 0.438 257 M N 6.360 126.036 119.600 0.126 0.000 2.364 257 M HA 0.405 4.886 4.480 0.002 0.000 0.334 257 M C -1.920 174.502 176.300 0.203 0.000 1.107 257 M CA -0.468 54.897 55.300 0.108 0.000 0.988 257 M CB 2.129 34.758 32.600 0.049 0.000 1.673 257 M HN 0.646 nan 8.290 nan 0.000 0.441 258 W N 5.170 126.440 121.300 -0.049 0.000 2.296 258 W HA 0.476 5.137 4.660 0.002 0.000 0.316 258 W C -1.366 175.122 176.519 -0.052 0.000 1.022 258 W CA -0.592 56.736 57.345 -0.029 0.000 1.324 258 W CB 1.235 30.625 29.460 -0.116 0.000 1.227 258 W HN 0.548 nan 8.180 nan 0.000 0.409 259 T N 7.687 122.336 114.554 0.157 0.000 2.744 259 T HA 0.448 4.800 4.350 0.002 0.000 0.291 259 T C 0.031 174.655 174.700 -0.128 0.000 0.957 259 T CA -0.224 61.839 62.100 -0.061 0.000 1.002 259 T CB 0.506 69.364 68.868 -0.017 0.000 0.919 259 T HN 0.178 nan 8.240 nan 0.000 0.468 260 I N 3.316 123.683 120.570 -0.338 0.000 2.306 260 I HA 0.463 4.634 4.170 0.002 0.000 0.288 260 I C 0.363 176.463 176.117 -0.028 0.000 1.036 260 I CA -0.055 61.072 61.300 -0.288 0.000 1.221 260 I CB 0.927 38.596 38.000 -0.552 0.000 1.385 260 I HN 0.502 nan 8.210 nan 0.000 0.472 261 S N 4.687 120.435 115.700 0.079 0.000 2.537 261 S HA 0.160 4.632 4.470 0.002 0.000 0.271 261 S C -1.211 173.425 174.600 0.059 0.000 1.148 261 S CA -0.837 57.417 58.200 0.091 0.000 0.868 261 S CB 1.558 64.766 63.200 0.013 0.000 1.115 261 S HN 0.645 nan 8.310 nan 0.000 0.461 262 D N 2.018 122.430 120.400 0.020 0.000 2.488 262 D HA 0.036 4.678 4.640 0.002 0.000 0.238 262 D C 1.641 177.903 176.300 -0.064 0.000 1.138 262 D CA 0.722 54.718 54.000 -0.007 0.000 0.873 262 D CB 1.447 42.237 40.800 -0.017 0.000 1.183 262 D HN 0.713 nan 8.370 nan 0.000 0.458 263 T N 0.461 114.897 114.554 -0.195 0.000 3.051 263 T HA -0.002 4.349 4.350 0.002 0.000 0.269 263 T C 1.652 176.237 174.700 -0.191 0.000 1.127 263 T CA 0.754 62.513 62.100 -0.568 0.000 1.107 263 T CB -0.099 68.204 68.868 -0.942 0.000 0.898 263 T HN 0.393 nan 8.240 nan 0.000 0.517 264 G N -0.455 108.388 108.800 0.072 0.000 2.880 264 G HA2 0.150 4.111 3.960 0.002 0.000 0.209 264 G HA3 0.150 4.111 3.960 0.002 0.000 0.209 264 G C -0.070 175.073 174.900 0.405 0.000 1.157 264 G CA -0.617 44.643 45.100 0.267 0.000 0.779 264 G HN 0.520 nan 8.290 nan 0.000 0.539 265 W N 0.757 122.071 121.300 0.024 0.000 2.365 265 W HA 0.487 5.149 4.660 0.004 0.000 0.316 265 W C 0.998 177.450 176.519 -0.112 0.000 1.164 265 W CA -2.288 55.018 57.345 -0.065 0.000 1.204 265 W CB 0.779 30.108 29.460 -0.219 0.000 1.213 265 W HN -0.052 nan 8.180 nan 0.000 0.539 266 I N 5.034 125.440 120.570 -0.273 0.000 2.399 266 I HA -0.321 3.851 4.170 0.002 0.000 0.254 266 I C 2.098 177.837 176.117 -0.629 0.000 1.146 266 I CA 1.177 62.023 61.300 -0.758 0.000 1.412 266 I CB -0.057 37.373 38.000 -0.950 0.000 1.076 266 I HN 0.546 nan 8.210 nan 0.000 0.432 267 L N 1.056 121.692 121.223 -0.977 0.000 2.051 267 L HA -0.353 3.989 4.340 0.002 0.000 0.214 267 L C 2.055 178.643 176.870 -0.471 0.000 1.076 267 L CA 2.213 56.517 54.840 -0.893 0.000 0.758 267 L CB -1.148 40.009 42.059 -1.503 0.000 0.890 267 L HN 0.353 nan 8.230 nan 0.000 0.433 268 N N -1.054 117.429 118.700 -0.360 0.000 2.120 268 N HA -0.221 4.520 4.740 0.002 0.000 0.188 268 N C 1.905 177.306 175.510 -0.182 0.000 1.024 268 N CA 1.381 54.259 53.050 -0.286 0.000 0.852 268 N CB -0.054 38.127 38.487 -0.509 0.000 1.003 268 N HN 0.389 nan 8.380 nan 0.000 0.424 269 I N 1.173 121.702 120.570 -0.070 0.000 2.286 269 I HA -0.120 4.051 4.170 0.002 0.000 0.245 269 I C 1.948 177.992 176.117 -0.123 0.000 1.104 269 I CA 0.886 62.190 61.300 0.006 0.000 1.397 269 I CB -0.080 38.023 38.000 0.171 0.000 1.072 269 I HN 0.147 nan 8.210 nan 0.000 0.417 270 L N -1.129 119.986 121.223 -0.180 0.000 2.072 270 L HA -0.192 4.150 4.340 0.002 0.000 0.205 270 L C 2.370 179.182 176.870 -0.097 0.000 1.079 270 L CA 1.165 55.908 54.840 -0.162 0.000 0.752 270 L CB -0.518 41.416 42.059 -0.209 0.000 0.906 270 L HN 0.303 nan 8.230 nan 0.000 0.436 271 C N -2.489 116.741 119.300 -0.118 0.000 2.487 271 C HA 0.035 4.496 4.460 0.002 0.000 0.311 271 C C 3.126 178.073 174.990 -0.072 0.000 1.367 271 C CA 0.475 59.452 59.018 -0.069 0.000 1.865 271 C CB 0.304 27.994 27.740 -0.083 0.000 2.277 271 C HN 0.469 nan 8.230 nan 0.000 0.521 272 S N -0.060 115.606 115.700 -0.057 0.000 2.436 272 S HA 0.051 4.522 4.470 0.002 0.000 0.228 272 S C 1.546 176.118 174.600 -0.046 0.000 1.014 272 S CA 1.011 59.235 58.200 0.041 0.000 0.950 272 S CB -0.077 63.268 63.200 0.241 0.000 0.784 272 S HN 0.579 nan 8.310 nan 0.000 0.504 273 L N -0.433 120.703 121.223 -0.145 0.000 2.488 273 L HA 0.386 4.727 4.340 0.002 0.000 0.186 273 L C 2.289 178.909 176.870 -0.417 0.000 1.124 273 L CA 0.498 55.063 54.840 -0.459 0.000 0.838 273 L CB -0.158 41.765 42.059 -0.228 0.000 1.107 273 L HN 0.265 nan 8.230 nan 0.000 0.494 274 M N -0.437 119.030 119.600 -0.221 0.000 2.236 274 M HA -0.129 4.353 4.480 0.002 0.000 0.266 274 M C 2.007 178.436 176.300 0.214 0.000 1.070 274 M CA 1.391 56.636 55.300 -0.091 0.000 1.137 274 M CB -0.158 32.246 32.600 -0.327 0.000 1.378 274 M HN 0.260 nan 8.290 nan 0.000 0.426 275 E N 1.300 121.558 120.200 0.095 0.000 2.017 275 E HA -0.143 4.208 4.350 0.002 0.000 0.193 275 E C -0.829 175.868 176.600 0.163 0.000 0.997 275 E CA 1.814 58.297 56.400 0.138 0.000 0.804 275 E CB -1.272 28.462 29.700 0.056 0.000 0.757 275 E HN 0.224 nan 8.360 nan 0.000 0.448 276 P HA -0.135 nan 4.420 nan 0.000 0.217 276 P C 0.798 178.342 177.300 0.407 0.000 1.150 276 P CA 1.281 64.477 63.100 0.160 0.000 0.832 276 P CB -0.265 31.475 31.700 0.066 0.000 0.787 277 W N 0.297 121.809 121.300 0.353 0.000 2.584 277 W HA 0.274 4.934 4.660 0.001 0.000 0.264 277 W C 2.543 179.334 176.519 0.453 0.000 1.264 277 W CA 0.168 57.790 57.345 0.462 0.000 1.306 277 W CB -1.795 28.053 29.460 0.647 0.000 1.110 277 W HN 0.003 nan 8.180 nan 0.000 0.606 278 A N 0.350 123.576 122.820 0.677 0.000 1.940 278 A HA -0.140 4.181 4.320 0.002 0.000 0.219 278 A C 2.001 179.882 177.584 0.496 0.000 1.176 278 A CA 1.452 53.810 52.037 0.534 0.000 0.631 278 A CB -0.800 18.467 19.000 0.444 0.000 0.814 278 A HN 0.257 nan 8.150 nan 0.000 0.446 279 L N -1.858 119.541 121.223 0.292 0.000 2.529 279 L HA 0.262 4.603 4.340 0.002 0.000 0.223 279 L C 1.627 178.263 176.870 -0.389 0.000 1.113 279 L CA 0.517 55.431 54.840 0.123 0.000 0.861 279 L CB -0.009 42.101 42.059 0.085 0.000 1.012 279 L HN 0.558 nan 8.230 nan 0.000 0.461 280 G N 0.304 108.588 108.800 -0.859 0.000 2.136 280 G HA2 -0.237 3.724 3.960 0.002 0.000 0.242 280 G HA3 -0.237 3.724 3.960 0.002 0.000 0.242 280 G C 0.302 174.930 174.900 -0.454 0.000 0.989 280 G CA 0.072 44.126 45.100 -1.744 0.000 0.682 280 G HN 0.488 nan 8.290 nan 0.000 0.522 281 A N -1.105 121.720 122.820 0.008 0.000 2.252 281 A HA 0.716 5.037 4.320 0.002 0.000 0.305 281 A C 0.920 178.747 177.584 0.405 0.000 1.097 281 A CA 0.288 52.433 52.037 0.180 0.000 0.849 281 A CB 0.961 20.035 19.000 0.124 0.000 1.142 281 A HN 1.555 nan 8.150 nan 0.000 0.499 282 C N 0.476 119.959 119.300 0.304 0.000 2.435 282 C HA 0.640 5.101 4.460 0.002 0.000 0.375 282 C C 0.894 176.056 174.990 0.286 0.000 1.281 282 C CA 0.073 59.282 59.018 0.318 0.000 1.963 282 C CB -0.368 27.547 27.740 0.292 0.000 2.490 282 C HN 0.848 nan 8.230 nan 0.000 0.557 283 T N 4.873 119.600 114.554 0.290 0.000 2.875 283 T HA 0.510 4.862 4.350 0.002 0.000 0.284 283 T C -0.951 173.828 174.700 0.131 0.000 0.995 283 T CA -0.202 61.978 62.100 0.132 0.000 1.060 283 T CB 0.321 69.134 68.868 -0.093 0.000 0.967 283 T HN 0.553 nan 8.240 nan 0.000 0.476 284 F N 5.048 124.961 119.950 -0.063 0.000 2.436 284 F HA 0.670 5.199 4.527 0.002 0.000 0.340 284 F C -0.858 174.778 175.800 -0.272 0.000 1.113 284 F CA -0.527 57.320 58.000 -0.256 0.000 1.022 284 F CB 1.177 39.884 39.000 -0.489 0.000 1.128 284 F HN 0.270 nan 8.300 nan 0.000 0.466 285 V N 5.681 125.168 119.914 -0.711 0.000 2.531 285 V HA 0.294 4.416 4.120 0.002 0.000 0.301 285 V C -0.881 174.854 176.094 -0.598 0.000 1.034 285 V CA -0.779 61.293 62.300 -0.380 0.000 0.865 285 V CB 1.471 33.089 31.823 -0.342 0.000 0.995 285 V HN 0.675 nan 8.190 nan 0.000 0.424 286 H N 3.749 122.650 119.070 -0.282 0.000 2.466 286 H HA 0.369 4.926 4.556 0.002 0.000 0.338 286 H C 0.469 175.785 175.328 -0.021 0.000 1.091 286 H CA -0.596 55.265 56.048 -0.311 0.000 1.207 286 H CB 2.227 31.908 29.762 -0.135 0.000 1.466 286 H HN 0.616 nan 8.280 nan 0.000 0.493 287 L N 5.435 126.667 121.223 0.016 0.000 2.081 287 L HA -0.113 4.228 4.340 0.002 0.000 0.212 287 L C 1.118 178.196 176.870 0.346 0.000 1.080 287 L CA 1.238 56.242 54.840 0.274 0.000 0.754 287 L CB -0.623 41.556 42.059 0.200 0.000 0.893 287 L HN 0.845 nan 8.230 nan 0.000 0.433 288 L N 0.498 122.006 121.223 0.475 0.000 3.965 288 L HA -0.232 4.109 4.340 0.002 0.000 0.499 288 L C -1.206 175.811 176.870 0.245 0.000 1.194 288 L CA -0.044 54.961 54.840 0.274 0.000 0.707 288 L CB -1.071 41.127 42.059 0.231 0.000 1.414 288 L HN 0.338 nan 8.230 nan 0.000 0.802 289 P HA -0.147 nan 4.420 nan 0.000 0.219 289 P C 1.003 178.398 177.300 0.159 0.000 1.150 289 P CA 1.201 64.404 63.100 0.173 0.000 0.814 289 P CB 0.215 31.999 31.700 0.140 0.000 0.787 290 K N -1.901 118.589 120.400 0.150 0.000 2.358 290 K HA 0.139 4.460 4.320 0.002 0.000 0.200 290 K C 0.195 176.928 176.600 0.222 0.000 1.030 290 K CA -0.826 55.547 56.287 0.144 0.000 1.097 290 K CB -0.381 32.174 32.500 0.093 0.000 0.862 290 K HN -0.052 nan 8.250 nan 0.000 0.534 291 F N 2.647 122.617 119.950 0.032 0.000 2.969 291 F HA -0.258 4.270 4.527 0.002 0.000 0.273 291 F C -0.446 175.349 175.800 -0.008 0.000 0.986 291 F CA 0.056 58.062 58.000 0.010 0.000 0.926 291 F CB -0.935 38.080 39.000 0.024 0.000 0.887 291 F HN 0.016 nan 8.300 nan 0.000 0.816 292 D N 2.724 123.065 120.400 -0.097 0.000 2.280 292 D HA 0.257 4.898 4.640 0.002 0.000 0.243 292 D C -1.311 174.874 176.300 -0.191 0.000 1.129 292 D CA -1.966 51.978 54.000 -0.093 0.000 0.848 292 D CB 1.397 42.167 40.800 -0.050 0.000 1.107 292 D HN 0.047 nan 8.370 nan 0.000 0.471 293 P HA -0.154 nan 4.420 nan 0.000 0.218 293 P C 1.615 178.833 177.300 -0.137 0.000 1.148 293 P CA 0.294 63.289 63.100 -0.174 0.000 0.822 293 P CB 0.394 32.038 31.700 -0.093 0.000 0.784 294 L N -0.271 120.887 121.223 -0.109 0.000 2.083 294 L HA -0.089 4.252 4.340 0.002 0.000 0.209 294 L C 2.334 179.101 176.870 -0.172 0.000 1.083 294 L CA 1.616 56.378 54.840 -0.130 0.000 0.752 294 L CB -1.250 40.751 42.059 -0.097 0.000 0.899 294 L HN -0.223 nan 8.230 nan 0.000 0.433 295 V N -0.340 119.484 119.914 -0.150 0.000 2.358 295 V HA -0.285 3.836 4.120 0.002 0.000 0.246 295 V C 2.485 178.479 176.094 -0.166 0.000 1.047 295 V CA 2.032 64.237 62.300 -0.159 0.000 1.035 295 V CB -0.384 31.338 31.823 -0.168 0.000 0.658 295 V HN 0.399 nan 8.190 nan 0.000 0.452 296 I N -0.553 119.917 120.570 -0.166 0.000 2.226 296 I HA -0.250 3.922 4.170 0.002 0.000 0.245 296 I C 2.360 178.477 176.117 -0.000 0.000 1.100 296 I CA 1.361 62.626 61.300 -0.059 0.000 1.374 296 I CB -0.368 37.466 38.000 -0.277 0.000 1.057 296 I HN 0.310 nan 8.210 nan 0.000 0.413 297 L N 0.963 122.145 121.223 -0.067 0.000 2.056 297 L HA -0.180 4.162 4.340 0.002 0.000 0.207 297 L C 2.351 179.199 176.870 -0.037 0.000 1.078 297 L CA 1.893 56.727 54.840 -0.010 0.000 0.749 297 L CB -0.638 41.404 42.059 -0.028 0.000 0.901 297 L HN 0.058 nan 8.230 nan 0.000 0.433 298 K N -1.299 118.982 120.400 -0.199 0.000 2.097 298 K HA -0.126 4.196 4.320 0.002 0.000 0.206 298 K C 1.876 178.489 176.600 0.023 0.000 1.049 298 K CA 1.802 57.978 56.287 -0.184 0.000 0.933 298 K CB -0.299 32.063 32.500 -0.229 0.000 0.717 298 K HN 0.394 nan 8.250 nan 0.000 0.442 299 T N 1.733 116.310 114.554 0.037 0.000 2.777 299 T HA -0.054 4.297 4.350 0.002 0.000 0.266 299 T C 1.788 176.515 174.700 0.046 0.000 1.040 299 T CA 0.865 63.003 62.100 0.064 0.000 1.141 299 T CB -0.111 68.648 68.868 -0.182 0.000 0.868 299 T HN 0.107 nan 8.240 nan 0.000 0.444 300 L N 0.705 121.990 121.223 0.104 0.000 2.083 300 L HA -0.097 4.244 4.340 0.002 0.000 0.209 300 L C 2.811 179.862 176.870 0.302 0.000 1.083 300 L CA 0.975 55.873 54.840 0.097 0.000 0.752 300 L CB -0.468 41.504 42.059 -0.144 0.000 0.899 300 L HN 0.274 nan 8.230 nan 0.000 0.433 301 S N -1.115 114.787 115.700 0.336 0.000 2.395 301 S HA -0.089 4.383 4.470 0.002 0.000 0.225 301 S C 2.026 176.783 174.600 0.261 0.000 1.027 301 S CA 1.345 59.793 58.200 0.414 0.000 0.965 301 S CB 0.105 63.553 63.200 0.414 0.000 0.812 301 S HN 0.391 nan 8.310 nan 0.000 0.482 302 S N -0.422 115.327 115.700 0.081 0.000 2.503 302 S HA 0.283 4.755 4.470 0.002 0.000 0.217 302 S C -0.368 173.962 174.600 -0.450 0.000 0.999 302 S CA 0.011 58.105 58.200 -0.177 0.000 0.914 302 S CB 0.031 63.065 63.200 -0.277 0.000 0.782 302 S HN 0.520 nan 8.310 nan 0.000 0.520 303 Y N 1.295 121.437 120.300 -0.264 0.000 2.468 303 Y HA 0.398 4.950 4.550 0.002 0.000 0.342 303 Y C -2.459 173.097 175.900 -0.573 0.000 1.021 303 Y CA -2.599 55.226 58.100 -0.459 0.000 1.079 303 Y CB 1.130 39.089 38.460 -0.835 0.000 1.226 303 Y HN -0.134 nan 8.280 nan 0.000 0.460 304 P HA 0.062 nan 4.420 nan 0.000 0.225 304 P C -0.516 176.680 177.300 -0.174 0.000 1.768 304 P CA 0.293 63.141 63.100 -0.420 0.000 0.943 304 P CB -0.488 31.138 31.700 -0.123 0.000 1.936 305 I N 1.384 121.857 120.570 -0.161 0.000 2.517 305 I HA 0.085 4.256 4.170 0.002 0.000 0.285 305 I C 1.552 177.754 176.117 0.142 0.000 1.106 305 I CA 0.263 61.528 61.300 -0.059 0.000 1.402 305 I CB 0.583 38.517 38.000 -0.112 0.000 1.399 305 I HN 0.076 nan 8.210 nan 0.000 0.535 306 K N 3.128 123.591 120.400 0.104 0.000 2.244 306 K HA 0.136 4.458 4.320 0.002 0.000 0.200 306 K C 0.259 176.909 176.600 0.084 0.000 1.052 306 K CA 0.584 56.943 56.287 0.121 0.000 0.980 306 K CB 0.458 33.017 32.500 0.099 0.000 0.838 306 K HN 0.601 nan 8.250 nan 0.000 0.481 307 S N 0.546 116.279 115.700 0.056 0.000 2.513 307 S HA 0.553 5.025 4.470 0.002 0.000 0.299 307 S C -0.766 173.846 174.600 0.020 0.000 1.087 307 S CA -0.952 57.259 58.200 0.018 0.000 1.012 307 S CB 1.723 64.904 63.200 -0.030 0.000 1.044 307 S HN 0.258 nan 8.310 nan 0.000 0.485 308 M N 1.504 121.095 119.600 -0.015 0.000 2.446 308 M HA 0.843 5.324 4.480 0.002 0.000 0.294 308 M C -1.320 174.917 176.300 -0.106 0.000 1.158 308 M CA -0.885 54.374 55.300 -0.068 0.000 0.899 308 M CB 2.044 34.566 32.600 -0.130 0.000 1.687 308 M HN 0.592 nan 8.290 nan 0.000 0.455 309 M N 2.571 122.070 119.600 -0.169 0.000 2.395 309 M HA 0.938 5.419 4.480 0.002 0.000 0.307 309 M C -1.210 174.957 176.300 -0.222 0.000 1.091 309 M CA 0.099 55.317 55.300 -0.136 0.000 0.919 309 M CB 2.384 34.915 32.600 -0.114 0.000 1.662 309 M HN 0.996 nan 8.290 nan 0.000 0.440 310 G N 2.281 110.993 108.800 -0.146 0.000 2.601 310 G HA2 0.706 4.668 3.960 0.002 0.000 0.291 310 G HA3 0.706 4.668 3.960 0.002 0.000 0.291 310 G C -1.705 173.202 174.900 0.011 0.000 1.456 310 G CA -0.408 44.597 45.100 -0.158 0.000 0.804 310 G HN 1.075 nan 8.290 nan 0.000 0.499 311 A N 0.877 123.745 122.820 0.080 0.000 2.507 311 A HA 0.562 4.883 4.320 0.002 0.000 0.235 311 A C -0.817 176.828 177.584 0.102 0.000 1.070 311 A CA -0.315 51.795 52.037 0.121 0.000 0.768 311 A CB 0.136 19.181 19.000 0.075 0.000 1.011 311 A HN 0.385 nan 8.150 nan 0.000 0.502 312 P HA -0.196 nan 4.420 nan 0.000 0.217 312 P C 1.375 178.740 177.300 0.109 0.000 1.148 312 P CA 1.051 64.237 63.100 0.144 0.000 0.834 312 P CB -0.003 31.735 31.700 0.064 0.000 0.783 313 I N -0.811 119.798 120.570 0.066 0.000 2.264 313 I HA -0.213 3.958 4.170 0.002 0.000 0.248 313 I C 1.964 178.106 176.117 0.041 0.000 1.111 313 I CA 1.482 62.822 61.300 0.065 0.000 1.382 313 I CB -0.685 37.361 38.000 0.075 0.000 1.060 313 I HN -0.213 nan 8.210 nan 0.000 0.418 314 V N -0.088 119.806 119.914 -0.032 0.000 2.295 314 V HA -0.330 3.791 4.120 0.002 0.000 0.246 314 V C 2.246 178.163 176.094 -0.295 0.000 1.049 314 V CA 2.170 64.339 62.300 -0.219 0.000 1.024 314 V CB -0.986 30.576 31.823 -0.435 0.000 0.648 314 V HN 0.401 nan 8.190 nan 0.000 0.447 315 Y N 0.401 120.573 120.300 -0.213 0.000 2.181 315 Y HA -0.160 4.391 4.550 0.002 0.000 0.288 315 Y C 2.676 178.548 175.900 -0.048 0.000 1.146 315 Y CA 1.472 59.400 58.100 -0.286 0.000 1.164 315 Y CB -0.459 37.721 38.460 -0.466 0.000 0.982 315 Y HN 0.113 nan 8.280 nan 0.000 0.515 316 R N -0.547 120.029 120.500 0.128 0.000 2.081 316 R HA -0.166 4.176 4.340 0.002 0.000 0.235 316 R C 2.204 178.567 176.300 0.104 0.000 1.131 316 R CA 1.767 57.940 56.100 0.122 0.000 0.960 316 R CB -0.397 29.958 30.300 0.092 0.000 0.856 316 R HN 0.377 nan 8.270 nan 0.000 0.436 317 M N 0.386 120.022 119.600 0.061 0.000 2.117 317 M HA -0.170 4.311 4.480 0.002 0.000 0.262 317 M C 2.189 178.525 176.300 0.061 0.000 1.065 317 M CA 1.638 56.963 55.300 0.042 0.000 1.114 317 M CB -0.256 32.341 32.600 -0.005 0.000 1.361 317 M HN 0.122 nan 8.290 nan 0.000 0.408 318 L N -0.147 121.124 121.223 0.079 0.000 2.083 318 L HA -0.212 4.130 4.340 0.002 0.000 0.209 318 L C 2.271 179.287 176.870 0.243 0.000 1.083 318 L CA 1.035 55.978 54.840 0.171 0.000 0.752 318 L CB -0.567 41.656 42.059 0.273 0.000 0.899 318 L HN 0.334 nan 8.230 nan 0.000 0.433 319 L N -0.797 120.592 121.223 0.277 0.000 2.275 319 L HA -0.180 4.162 4.340 0.002 0.000 0.215 319 L C 2.453 179.406 176.870 0.137 0.000 1.119 319 L CA 0.574 55.555 54.840 0.235 0.000 0.790 319 L CB -0.300 41.912 42.059 0.254 0.000 0.919 319 L HN 0.321 nan 8.230 nan 0.000 0.443 320 Q N -0.554 119.313 119.800 0.111 0.000 2.435 320 Q HA 0.031 4.372 4.340 0.002 0.000 0.207 320 Q C 0.782 176.824 176.000 0.070 0.000 0.956 320 Q CA 0.587 56.436 55.803 0.077 0.000 0.917 320 Q CB 0.084 28.860 28.738 0.063 0.000 0.997 320 Q HN 0.461 nan 8.270 nan 0.000 0.497 321 Q N 0.249 120.099 119.800 0.083 0.000 2.222 321 Q HA 0.078 4.420 4.340 0.002 0.000 0.211 321 Q C -0.235 175.819 176.000 0.089 0.000 1.013 321 Q CA -0.192 55.658 55.803 0.079 0.000 0.993 321 Q CB 0.195 28.979 28.738 0.077 0.000 1.151 321 Q HN -0.029 nan 8.270 nan 0.000 0.544 322 D N 1.015 121.481 120.400 0.110 0.000 2.551 322 D HA 0.095 4.736 4.640 0.002 0.000 0.223 322 D C 0.873 177.251 176.300 0.130 0.000 1.144 322 D CA 0.083 54.150 54.000 0.112 0.000 1.025 322 D CB -0.335 40.547 40.800 0.136 0.000 1.085 322 D HN 0.386 nan 8.370 nan 0.000 0.506 323 L N 1.484 122.748 121.223 0.067 0.000 2.131 323 L HA -0.195 4.146 4.340 0.002 0.000 0.210 323 L C 2.415 179.240 176.870 -0.075 0.000 1.092 323 L CA 1.248 56.095 54.840 0.012 0.000 0.759 323 L CB -0.435 41.584 42.059 -0.066 0.000 0.903 323 L HN 0.343 nan 8.230 nan 0.000 0.435 324 S N -1.933 113.724 115.700 -0.072 0.000 2.423 324 S HA -0.116 4.356 4.470 0.002 0.000 0.231 324 S C 2.009 176.525 174.600 -0.139 0.000 1.014 324 S CA 1.194 59.324 58.200 -0.117 0.000 0.965 324 S CB -0.122 63.024 63.200 -0.091 0.000 0.785 324 S HN 0.288 nan 8.310 nan 0.000 0.495 325 S N 0.018 115.645 115.700 -0.122 0.000 2.436 325 S HA 0.206 4.678 4.470 0.002 0.000 0.228 325 S C -0.416 173.886 174.600 -0.497 0.000 1.014 325 S CA 0.316 58.331 58.200 -0.308 0.000 0.950 325 S CB -0.219 62.775 63.200 -0.343 0.000 0.784 325 S HN 0.688 nan 8.310 nan 0.000 0.504 326 Y N 2.079 122.345 120.300 -0.057 0.000 2.837 326 Y HA 0.380 4.931 4.550 0.002 0.000 0.356 326 Y C -0.019 175.800 175.900 -0.135 0.000 1.035 326 Y CA -1.077 57.011 58.100 -0.019 0.000 1.165 326 Y CB 0.407 38.910 38.460 0.072 0.000 1.147 326 Y HN -0.207 nan 8.280 nan 0.000 0.628 327 K N 1.867 122.174 120.400 -0.155 0.000 2.258 327 K HA 0.323 4.645 4.320 0.002 0.000 0.264 327 K C -0.574 175.852 176.600 -0.289 0.000 1.007 327 K CA -0.305 55.732 56.287 -0.417 0.000 0.941 327 K CB 0.527 32.854 32.500 -0.288 0.000 0.966 327 K HN 0.529 nan 8.250 nan 0.000 0.480 328 F N -0.470 119.390 119.950 -0.150 0.000 2.708 328 F HA 0.294 4.823 4.527 0.003 0.000 0.344 328 F C -1.927 173.536 175.800 -0.561 0.000 1.447 328 F CA -2.096 55.647 58.000 -0.428 0.000 1.140 328 F CB 0.769 39.566 39.000 -0.339 0.000 1.657 328 F HN 0.305 nan 8.300 nan 0.000 0.598 329 P HA -0.202 nan 4.420 nan 0.000 0.222 329 P C 1.390 178.653 177.300 -0.062 0.000 1.147 329 P CA 1.694 64.721 63.100 -0.122 0.000 0.790 329 P CB -0.218 31.454 31.700 -0.046 0.000 0.780 330 H N -0.949 118.194 119.070 0.122 0.000 2.491 330 H HA 0.021 4.578 4.556 0.002 0.000 0.290 330 H C 0.893 176.293 175.328 0.119 0.000 1.050 330 H CA -0.142 55.968 56.048 0.105 0.000 1.309 330 H CB -0.910 28.906 29.762 0.090 0.000 1.392 330 H HN 0.095 nan 8.280 nan 0.000 0.554 331 L N 2.632 123.851 121.223 -0.006 0.000 2.477 331 L HA 0.000 4.342 4.340 0.002 0.000 0.272 331 L C 0.892 177.839 176.870 0.128 0.000 1.157 331 L CA 0.476 55.383 54.840 0.112 0.000 0.889 331 L CB 0.871 42.990 42.059 0.100 0.000 1.158 331 L HN 0.192 nan 8.230 nan 0.000 0.473 332 Q N 2.461 122.331 119.800 0.117 0.000 2.532 332 Q HA 0.291 4.633 4.340 0.002 0.000 0.247 332 Q C -0.348 175.709 176.000 0.095 0.000 0.872 332 Q CA 0.128 55.991 55.803 0.100 0.000 0.963 332 Q CB 0.611 29.396 28.738 0.079 0.000 1.159 332 Q HN 0.629 nan 8.270 nan 0.000 0.598 333 N N 0.412 119.156 118.700 0.072 0.000 2.443 333 N HA 0.296 5.037 4.740 0.002 0.000 0.269 333 N C -1.491 174.044 175.510 0.042 0.000 0.985 333 N CA -0.150 52.922 53.050 0.036 0.000 0.921 333 N CB 1.863 40.334 38.487 -0.026 0.000 1.195 333 N HN 0.090 nan 8.380 nan 0.000 0.492 334 C N 2.423 121.758 119.300 0.058 0.000 2.291 334 C HA 0.524 4.985 4.460 0.002 0.000 0.322 334 C C 0.738 175.715 174.990 -0.021 0.000 1.205 334 C CA -0.917 58.139 59.018 0.063 0.000 1.495 334 C CB -0.345 27.456 27.740 0.101 0.000 2.127 334 C HN 0.509 nan 8.230 nan 0.000 0.452 335 V N 1.320 121.231 119.914 -0.006 0.000 2.994 335 V HA 0.972 5.093 4.120 0.002 0.000 0.318 335 V C -0.268 175.871 176.094 0.075 0.000 1.085 335 V CA -0.202 62.094 62.300 -0.007 0.000 0.998 335 V CB 1.844 33.614 31.823 -0.088 0.000 1.063 335 V HN 0.701 nan 8.190 nan 0.000 0.447 336 T N 0.411 115.019 114.554 0.090 0.000 2.868 336 T HA 0.742 5.094 4.350 0.002 0.000 0.306 336 T C -1.557 173.210 174.700 0.110 0.000 1.224 336 T CA -0.001 62.168 62.100 0.115 0.000 1.012 336 T CB 1.775 70.674 68.868 0.052 0.000 1.221 336 T HN 1.518 nan 8.240 nan 0.000 0.499 337 V N 1.454 121.428 119.914 0.099 0.000 3.282 337 V HA 0.696 4.818 4.120 0.002 0.000 0.295 337 V C 0.710 176.909 176.094 0.175 0.000 1.451 337 V CA 0.843 63.195 62.300 0.086 0.000 1.062 337 V CB 1.613 33.441 31.823 0.007 0.000 1.128 337 V HN 1.588 nan 8.190 nan 0.000 0.456 338 G N 2.572 111.481 108.800 0.182 0.000 2.259 338 G HA2 -0.140 3.821 3.960 0.002 0.000 0.217 338 G HA3 -0.140 3.821 3.960 0.002 0.000 0.217 338 G C 0.061 174.984 174.900 0.040 0.000 1.001 338 G CA 0.725 45.990 45.100 0.275 0.000 0.627 338 G HN 1.281 nan 8.290 nan 0.000 0.501 339 E N -0.171 120.022 120.200 -0.011 0.000 2.430 339 E HA 0.584 4.936 4.350 0.002 0.000 0.279 339 E C -0.642 175.877 176.600 -0.136 0.000 1.003 339 E CA -0.091 56.249 56.400 -0.099 0.000 0.801 339 E CB 1.246 30.917 29.700 -0.047 0.000 1.313 339 E HN 0.279 nan 8.360 nan 0.000 0.459 340 S N 1.672 117.251 115.700 -0.202 0.000 2.516 340 S HA 0.167 4.638 4.470 0.002 0.000 0.282 340 S C -0.333 174.248 174.600 -0.033 0.000 1.286 340 S CA -0.524 57.590 58.200 -0.144 0.000 1.066 340 S CB 0.054 63.201 63.200 -0.088 0.000 0.884 340 S HN 0.398 nan 8.310 nan 0.000 0.491 341 L N 7.660 128.872 121.223 -0.020 0.000 2.325 341 L HA 0.407 4.749 4.340 0.002 0.000 0.284 341 L C -0.470 176.409 176.870 0.014 0.000 1.089 341 L CA 0.120 54.955 54.840 -0.008 0.000 0.836 341 L CB 0.034 42.073 42.059 -0.033 0.000 1.184 341 L HN 0.636 nan 8.230 nan 0.000 0.444 342 L N 8.254 129.494 121.223 0.028 0.000 2.453 342 L HA 0.148 4.489 4.340 0.002 0.000 0.272 342 L C -1.028 175.867 176.870 0.041 0.000 1.182 342 L CA -1.391 53.475 54.840 0.044 0.000 0.858 342 L CB 0.317 42.410 42.059 0.056 0.000 1.120 342 L HN 0.528 nan 8.230 nan 0.000 0.474 343 P HA -0.247 nan 4.420 nan 0.000 0.216 343 P C 1.316 178.650 177.300 0.055 0.000 1.154 343 P CA 1.232 64.364 63.100 0.054 0.000 0.865 343 P CB 0.222 31.955 31.700 0.055 0.000 0.789 344 E N -1.016 119.217 120.200 0.055 0.000 2.085 344 E HA -0.169 4.182 4.350 0.002 0.000 0.194 344 E C 1.571 178.216 176.600 0.074 0.000 0.994 344 E CA 1.797 58.233 56.400 0.060 0.000 0.801 344 E CB -0.416 29.318 29.700 0.056 0.000 0.743 344 E HN 0.152 nan 8.360 nan 0.000 0.453 345 T N 1.332 115.928 114.554 0.069 0.000 2.737 345 T HA -0.143 4.208 4.350 0.002 0.000 0.265 345 T C 1.759 176.516 174.700 0.095 0.000 1.038 345 T CA 1.086 63.237 62.100 0.084 0.000 1.144 345 T CB -0.310 68.585 68.868 0.046 0.000 0.866 345 T HN 0.153 nan 8.240 nan 0.000 0.434 346 L N 1.668 122.920 121.223 0.049 0.000 2.012 346 L HA -0.087 4.254 4.340 0.002 0.000 0.210 346 L C 2.432 179.373 176.870 0.118 0.000 1.073 346 L CA 2.047 56.921 54.840 0.057 0.000 0.748 346 L CB -0.751 41.330 42.059 0.036 0.000 0.891 346 L HN 0.300 nan 8.230 nan 0.000 0.431 347 E N -0.775 119.483 120.200 0.095 0.000 2.058 347 E HA -0.257 4.095 4.350 0.002 0.000 0.194 347 E C 1.943 178.604 176.600 0.103 0.000 0.997 347 E CA 1.532 57.985 56.400 0.087 0.000 0.801 347 E CB -0.191 29.548 29.700 0.066 0.000 0.746 347 E HN 0.668 nan 8.360 nan 0.000 0.450 348 N N 0.110 118.885 118.700 0.125 0.000 2.142 348 N HA -0.164 4.578 4.740 0.002 0.000 0.186 348 N C 1.687 177.301 175.510 0.173 0.000 1.023 348 N CA 0.937 54.065 53.050 0.130 0.000 0.852 348 N CB -0.367 38.202 38.487 0.137 0.000 0.998 348 N HN 0.427 nan 8.380 nan 0.000 0.424 349 W N 2.552 123.875 121.300 0.039 0.000 2.358 349 W HA -0.134 4.527 4.660 0.002 0.000 0.303 349 W C 2.093 178.641 176.519 0.048 0.000 1.208 349 W CA 1.052 58.431 57.345 0.057 0.000 1.274 349 W CB -0.118 29.356 29.460 0.025 0.000 1.138 349 W HN 0.071 nan 8.180 nan 0.000 0.515 350 R N 0.138 120.744 120.500 0.177 0.000 2.073 350 R HA -0.157 4.185 4.340 0.002 0.000 0.234 350 R C 2.572 178.865 176.300 -0.013 0.000 1.134 350 R CA 2.158 58.300 56.100 0.070 0.000 0.952 350 R CB -0.880 29.472 30.300 0.086 0.000 0.850 350 R HN 0.119 nan 8.270 nan 0.000 0.433 351 A N 0.341 123.161 122.820 -0.001 0.000 1.902 351 A HA -0.180 4.141 4.320 0.002 0.000 0.217 351 A C 1.951 179.487 177.584 -0.080 0.000 1.181 351 A CA 1.235 53.256 52.037 -0.027 0.000 0.623 351 A CB -0.237 18.761 19.000 -0.004 0.000 0.818 351 A HN 0.209 nan 8.150 nan 0.000 0.443 352 Q N -0.969 118.757 119.800 -0.123 0.000 2.163 352 Q HA -0.042 4.299 4.340 0.002 0.000 0.198 352 Q C 2.105 177.924 176.000 -0.301 0.000 0.954 352 Q CA 1.980 57.669 55.803 -0.191 0.000 0.851 352 Q CB -0.452 28.173 28.738 -0.188 0.000 0.928 352 Q HN 0.842 nan 8.270 nan 0.000 0.459 353 T N -4.786 109.526 114.554 -0.403 0.000 2.990 353 T HA 0.340 4.691 4.350 0.002 0.000 0.250 353 T C 1.377 175.936 174.700 -0.236 0.000 1.041 353 T CA 0.755 62.593 62.100 -0.437 0.000 1.010 353 T CB 0.648 69.104 68.868 -0.687 0.000 1.003 353 T HN 0.326 nan 8.240 nan 0.000 0.499 354 G N 1.469 110.175 108.800 -0.157 0.000 2.184 354 G HA2 -0.212 3.749 3.960 0.002 0.000 0.264 354 G HA3 -0.212 3.749 3.960 0.002 0.000 0.264 354 G C -0.079 174.823 174.900 0.003 0.000 0.975 354 G CA 0.489 45.551 45.100 -0.064 0.000 0.642 354 G HN 0.646 nan 8.290 nan 0.000 0.536 355 L N 0.450 121.692 121.223 0.032 0.000 2.334 355 L HA 0.555 4.897 4.340 0.002 0.000 0.270 355 L C -0.183 176.839 176.870 0.253 0.000 1.018 355 L CA -1.247 53.694 54.840 0.168 0.000 0.811 355 L CB 1.058 43.298 42.059 0.300 0.000 1.271 355 L HN -0.067 nan 8.230 nan 0.000 0.443 356 D N 1.598 122.118 120.400 0.201 0.000 2.304 356 D HA 0.414 5.055 4.640 0.002 0.000 0.247 356 D C -0.282 176.090 176.300 0.120 0.000 1.089 356 D CA 0.054 54.148 54.000 0.157 0.000 0.910 356 D CB 1.919 42.779 40.800 0.101 0.000 1.199 356 D HN 0.214 nan 8.370 nan 0.000 0.426 357 I N 2.062 122.630 120.570 -0.004 0.000 2.339 357 I HA 0.244 4.416 4.170 0.002 0.000 0.290 357 I C 0.551 176.616 176.117 -0.087 0.000 0.994 357 I CA -0.575 60.598 61.300 -0.211 0.000 1.191 357 I CB 1.021 38.671 38.000 -0.583 0.000 1.343 357 I HN -0.052 nan 8.210 nan 0.000 0.458 358 R N 5.416 125.893 120.500 -0.038 0.000 2.198 358 R HA 0.273 4.615 4.340 0.002 0.000 0.339 358 R C -0.186 176.164 176.300 0.084 0.000 1.020 358 R CA -0.547 55.586 56.100 0.056 0.000 0.864 358 R CB 1.342 31.703 30.300 0.103 0.000 1.105 358 R HN 0.593 nan 8.270 nan 0.000 0.463 359 E N 1.831 122.082 120.200 0.086 0.000 2.390 359 E HA 0.111 4.463 4.350 0.002 0.000 0.261 359 E C -0.548 176.138 176.600 0.142 0.000 1.076 359 E CA -0.110 56.345 56.400 0.092 0.000 0.905 359 E CB 0.833 30.579 29.700 0.076 0.000 0.984 359 E HN 0.640 nan 8.360 nan 0.000 0.427 360 S N 2.362 118.135 115.700 0.122 0.000 2.661 360 S HA 0.537 5.009 4.470 0.002 0.000 0.285 360 S C -1.419 173.227 174.600 0.077 0.000 1.138 360 S CA -0.877 57.350 58.200 0.044 0.000 0.855 360 S CB 1.349 64.516 63.200 -0.054 0.000 1.136 360 S HN 0.569 nan 8.310 nan 0.000 0.484 361 Y N -0.430 119.792 120.300 -0.130 0.000 2.534 361 Y HA 0.753 5.304 4.550 0.002 0.000 0.345 361 Y C -0.314 175.513 175.900 -0.123 0.000 1.031 361 Y CA 0.317 58.353 58.100 -0.107 0.000 1.022 361 Y CB 1.484 39.892 38.460 -0.087 0.000 1.292 361 Y HN 1.387 nan 8.280 nan 0.000 0.459 362 G N 3.686 112.030 108.800 -0.761 0.000 2.342 362 G HA2 0.504 4.465 3.960 0.002 0.000 0.297 362 G HA3 0.504 4.465 3.960 0.002 0.000 0.297 362 G C -2.284 172.328 174.900 -0.480 0.000 1.313 362 G CA -0.625 44.054 45.100 -0.701 0.000 0.830 362 G HN 0.936 nan 8.290 nan 0.000 0.506 363 Q N -2.060 117.554 119.800 -0.311 0.000 2.626 363 Q HA 0.631 4.973 4.340 0.002 0.000 0.300 363 Q C 0.314 176.227 176.000 -0.146 0.000 0.988 363 Q CA -0.235 55.477 55.803 -0.151 0.000 0.761 363 Q CB 1.104 29.789 28.738 -0.088 0.000 1.494 363 Q HN 0.309 nan 8.270 nan 0.000 0.439 364 T N 0.444 114.947 114.554 -0.085 0.000 2.759 364 T HA -0.161 4.191 4.350 0.002 0.000 0.269 364 T C 0.895 175.509 174.700 -0.144 0.000 1.042 364 T CA 2.250 64.289 62.100 -0.101 0.000 1.140 364 T CB -0.136 68.732 68.868 0.000 0.000 0.864 364 T HN 0.595 nan 8.240 nan 0.000 0.455 365 E N 0.565 120.527 120.200 -0.397 0.000 2.285 365 E HA -0.021 4.330 4.350 0.002 0.000 0.194 365 E C 2.248 178.437 176.600 -0.686 0.000 0.997 365 E CA 1.240 57.005 56.400 -1.057 0.000 0.845 365 E CB 0.009 28.851 29.700 -1.430 0.000 0.782 365 E HN 0.662 nan 8.360 nan 0.000 0.491 366 T N -3.788 110.570 114.554 -0.328 0.000 3.004 366 T HA 0.425 4.777 4.350 0.002 0.000 0.266 366 T C 1.165 175.845 174.700 -0.033 0.000 0.986 366 T CA 0.096 62.076 62.100 -0.200 0.000 0.902 366 T CB 0.254 68.981 68.868 -0.235 0.000 1.118 366 T HN 0.217 nan 8.240 nan 0.000 0.522 367 G N 2.173 110.908 108.800 -0.108 0.000 2.578 367 G HA2 -0.207 3.754 3.960 0.002 0.000 0.275 367 G HA3 -0.207 3.754 3.960 0.002 0.000 0.275 367 G C -0.296 174.489 174.900 -0.191 0.000 1.271 367 G CA -0.192 44.803 45.100 -0.175 0.000 0.941 367 G HN 0.820 nan 8.290 nan 0.000 0.564 368 L N 1.244 122.322 121.223 -0.243 0.000 2.615 368 L HA 0.410 4.751 4.340 0.002 0.000 0.271 368 L C 1.764 178.504 176.870 -0.217 0.000 1.183 368 L CA 1.926 56.570 54.840 -0.327 0.000 0.933 368 L CB 0.679 42.443 42.059 -0.492 0.000 1.199 368 L HN 0.701 nan 8.230 nan 0.000 0.487 369 T N 1.886 116.335 114.554 -0.176 0.000 3.056 369 T HA 0.202 4.553 4.350 0.002 0.000 0.243 369 T C 0.151 174.846 174.700 -0.008 0.000 0.995 369 T CA 0.179 62.299 62.100 0.034 0.000 1.091 369 T CB 0.214 69.013 68.868 -0.114 0.000 0.990 369 T HN 0.543 nan 8.240 nan 0.000 0.464 370 C N 2.788 122.055 119.300 -0.054 0.000 2.898 370 C HA 0.924 5.385 4.460 0.002 0.000 0.304 370 C C -0.653 174.264 174.990 -0.120 0.000 1.237 370 C CA -1.111 57.879 59.018 -0.048 0.000 1.529 370 C CB 1.679 29.430 27.740 0.019 0.000 2.021 370 C HN 0.623 nan 8.230 nan 0.000 0.474 371 M N 0.581 120.103 119.600 -0.131 0.000 2.732 371 M HA 0.563 5.044 4.480 0.002 0.000 0.272 371 M C -2.163 174.118 176.300 -0.032 0.000 1.203 371 M CA -0.452 54.779 55.300 -0.115 0.000 0.841 371 M CB 1.179 33.558 32.600 -0.368 0.000 1.685 371 M HN 0.285 nan 8.290 nan 0.000 0.492 372 V N 3.165 123.125 119.914 0.077 0.000 2.339 372 V HA 0.350 4.472 4.120 0.002 0.000 0.261 372 V C 0.789 177.004 176.094 0.202 0.000 1.058 372 V CA -0.073 62.292 62.300 0.108 0.000 0.897 372 V CB 0.209 32.126 31.823 0.157 0.000 1.052 372 V HN 0.952 nan 8.190 nan 0.000 0.480 373 S N 4.214 120.018 115.700 0.173 0.000 2.661 373 S HA 0.303 4.774 4.470 0.002 0.000 0.265 373 S C 1.201 175.894 174.600 0.155 0.000 1.225 373 S CA -0.428 57.910 58.200 0.230 0.000 0.986 373 S CB 1.070 64.388 63.200 0.197 0.000 1.008 373 S HN 0.616 nan 8.310 nan 0.000 0.565 374 K N 0.048 120.522 120.400 0.124 0.000 2.103 374 K HA -0.118 4.204 4.320 0.002 0.000 0.207 374 K C 1.803 178.453 176.600 0.083 0.000 1.048 374 K CA 1.801 58.138 56.287 0.084 0.000 0.930 374 K CB -0.736 31.797 32.500 0.055 0.000 0.716 374 K HN 0.890 nan 8.250 nan 0.000 0.444 375 T N -1.749 112.856 114.554 0.085 0.000 3.122 375 T HA 0.234 4.586 4.350 0.002 0.000 0.250 375 T C 0.627 175.382 174.700 0.091 0.000 1.067 375 T CA -0.329 61.818 62.100 0.078 0.000 0.966 375 T CB -0.007 68.901 68.868 0.067 0.000 1.002 375 T HN -0.040 nan 8.240 nan 0.000 0.542 376 M N 2.007 121.674 119.600 0.111 0.000 2.235 376 M HA 0.334 4.816 4.480 0.002 0.000 0.351 376 M C 0.380 176.779 176.300 0.165 0.000 1.178 376 M CA -0.573 54.816 55.300 0.149 0.000 1.143 376 M CB 1.125 33.817 32.600 0.153 0.000 1.530 376 M HN 0.039 nan 8.290 nan 0.000 0.461 377 K N 2.665 123.172 120.400 0.177 0.000 2.448 377 K HA 0.188 4.509 4.320 0.002 0.000 0.278 377 K C -0.853 175.845 176.600 0.163 0.000 1.009 377 K CA 0.069 56.426 56.287 0.116 0.000 0.995 377 K CB 0.454 32.972 32.500 0.030 0.000 0.917 377 K HN 0.582 nan 8.250 nan 0.000 0.481 378 I N 4.953 125.585 120.570 0.104 0.000 2.371 378 I HA 0.113 4.285 4.170 0.002 0.000 0.290 378 I C 0.046 176.192 176.117 0.048 0.000 1.028 378 I CA -0.212 61.161 61.300 0.122 0.000 1.345 378 I CB 1.069 39.129 38.000 0.100 0.000 1.407 378 I HN 0.458 nan 8.210 nan 0.000 0.501 379 K N 7.502 127.948 120.400 0.077 0.000 2.507 379 K HA 0.389 4.711 4.320 0.002 0.000 0.253 379 K C -2.557 174.168 176.600 0.208 0.000 0.969 379 K CA -1.777 54.522 56.287 0.020 0.000 0.908 379 K CB 1.581 33.916 32.500 -0.276 0.000 1.127 379 K HN 0.215 nan 8.250 nan 0.000 0.437 380 P HA -0.098 nan 4.420 nan 0.000 0.260 380 P C 0.788 178.218 177.300 0.217 0.000 1.172 380 P CA 1.150 64.344 63.100 0.157 0.000 0.760 380 P CB 0.502 32.265 31.700 0.104 0.000 0.773 381 G N 1.386 110.269 108.800 0.139 0.000 2.175 381 G HA2 -0.238 3.723 3.960 0.002 0.000 0.244 381 G HA3 -0.238 3.723 3.960 0.002 0.000 0.244 381 G C -0.395 174.435 174.900 -0.117 0.000 0.982 381 G CA -0.439 44.665 45.100 0.007 0.000 0.641 381 G HN 0.469 nan 8.290 nan 0.000 0.527 382 Y N 0.111 120.478 120.300 0.112 0.000 2.393 382 Y HA 0.601 5.152 4.550 0.002 0.000 0.341 382 Y C 1.385 177.391 175.900 0.176 0.000 0.988 382 Y CA -0.626 57.574 58.100 0.167 0.000 1.078 382 Y CB 1.556 40.161 38.460 0.241 0.000 1.203 382 Y HN 0.144 nan 8.280 nan 0.000 0.453 383 M N 1.204 120.977 119.600 0.288 0.000 2.419 383 M HA 0.601 5.082 4.480 0.002 0.000 0.252 383 M C 0.475 176.878 176.300 0.171 0.000 1.143 383 M CA 0.394 55.803 55.300 0.181 0.000 0.985 383 M CB -0.038 32.610 32.600 0.080 0.000 1.489 383 M HN 0.784 nan 8.290 nan 0.000 0.484 384 G N 1.464 110.383 108.800 0.199 0.000 2.526 384 G HA2 -0.125 3.837 3.960 0.002 0.000 0.250 384 G HA3 -0.125 3.837 3.960 0.002 0.000 0.250 384 G C -0.556 174.303 174.900 -0.068 0.000 1.289 384 G CA -0.411 44.647 45.100 -0.070 0.000 0.947 384 G HN 0.651 nan 8.290 nan 0.000 0.517 385 T N -1.634 112.812 114.554 -0.180 0.000 2.919 385 T HA 0.890 5.241 4.350 0.002 0.000 0.282 385 T C 0.788 175.526 174.700 0.063 0.000 1.020 385 T CA 0.608 62.704 62.100 -0.007 0.000 0.994 385 T CB 1.448 70.219 68.868 -0.162 0.000 1.180 385 T HN 2.387 nan 8.240 nan 0.000 0.566 386 A N 0.627 123.534 122.820 0.145 0.000 2.546 386 A HA 0.547 4.869 4.320 0.002 0.000 0.243 386 A C 0.916 178.494 177.584 -0.009 0.000 1.063 386 A CA -0.161 51.933 52.037 0.094 0.000 0.757 386 A CB -1.055 18.042 19.000 0.161 0.000 0.991 386 A HN 1.392 nan 8.150 nan 0.000 0.503 387 A N 2.340 125.115 122.820 -0.075 0.000 2.425 387 A HA 0.429 4.750 4.320 0.002 0.000 0.242 387 A C 1.603 179.070 177.584 -0.194 0.000 1.077 387 A CA 0.294 52.199 52.037 -0.219 0.000 0.781 387 A CB -0.097 18.661 19.000 -0.403 0.000 1.020 387 A HN 1.920 nan 8.150 nan 0.000 0.494 388 S N 0.305 115.889 115.700 -0.193 0.000 2.399 388 S HA -0.175 4.296 4.470 0.002 0.000 0.231 388 S C 1.546 176.085 174.600 -0.103 0.000 1.022 388 S CA 1.672 59.808 58.200 -0.106 0.000 0.983 388 S CB -0.974 62.180 63.200 -0.077 0.000 0.803 388 S HN 0.689 nan 8.310 nan 0.000 0.480 389 C N 0.291 119.460 119.300 -0.219 0.000 2.456 389 C HA 0.261 4.722 4.460 0.002 0.000 0.279 389 C C 0.255 175.300 174.990 0.092 0.000 1.427 389 C CA -0.425 58.514 59.018 -0.132 0.000 1.778 389 C CB -1.482 26.098 27.740 -0.268 0.000 1.842 389 C HN 0.505 nan 8.230 nan 0.000 0.531 390 Y N 0.637 120.920 120.300 -0.029 0.000 2.341 390 Y HA 0.374 4.925 4.550 0.001 0.000 0.337 390 Y C -0.052 175.863 175.900 0.025 0.000 1.014 390 Y CA -1.728 56.363 58.100 -0.015 0.000 1.111 390 Y CB 0.248 38.688 38.460 -0.033 0.000 1.194 390 Y HN -0.005 nan 8.280 nan 0.000 0.462 391 D N 3.163 123.674 120.400 0.185 0.000 2.494 391 D HA 0.252 4.894 4.640 0.002 0.000 0.217 391 D C -0.863 175.573 176.300 0.227 0.000 1.153 391 D CA 0.017 54.119 54.000 0.170 0.000 0.954 391 D CB 0.092 40.957 40.800 0.108 0.000 1.034 391 D HN 0.167 nan 8.370 nan 0.000 0.518 392 V N 4.149 124.212 119.914 0.249 0.000 2.498 392 V HA 0.340 4.462 4.120 0.002 0.000 0.279 392 V C 0.434 176.784 176.094 0.426 0.000 1.048 392 V CA -0.370 62.076 62.300 0.242 0.000 0.967 392 V CB 1.282 33.115 31.823 0.018 0.000 0.988 392 V HN 0.413 nan 8.190 nan 0.000 0.473 393 Q N 3.085 123.107 119.800 0.371 0.000 2.501 393 Q HA 0.549 4.891 4.340 0.002 0.000 0.288 393 Q C -1.341 174.754 176.000 0.158 0.000 1.051 393 Q CA -0.817 55.160 55.803 0.290 0.000 0.788 393 Q CB 2.968 31.780 28.738 0.123 0.000 1.469 393 Q HN 0.474 nan 8.270 nan 0.000 0.416 394 I N 2.917 123.545 120.570 0.096 0.000 2.304 394 I HA 0.395 4.566 4.170 0.002 0.000 0.291 394 I C 0.409 176.443 176.117 -0.137 0.000 1.018 394 I CA -0.377 60.928 61.300 0.007 0.000 1.260 394 I CB 0.092 38.106 38.000 0.023 0.000 1.390 394 I HN 0.532 nan 8.210 nan 0.000 0.475 395 I N 3.672 124.117 120.570 -0.209 0.000 2.646 395 I HA 0.623 4.795 4.170 0.002 0.000 0.299 395 I C -0.389 175.628 176.117 -0.166 0.000 1.036 395 I CA -0.802 60.333 61.300 -0.276 0.000 1.074 395 I CB 2.168 39.844 38.000 -0.540 0.000 1.258 395 I HN 0.439 nan 8.210 nan 0.000 0.430 396 D N 3.107 123.428 120.400 -0.130 0.000 2.451 396 D HA 0.084 4.725 4.640 0.002 0.000 0.259 396 D C 0.648 176.903 176.300 -0.074 0.000 1.201 396 D CA -0.198 53.750 54.000 -0.086 0.000 1.028 396 D CB 0.432 41.194 40.800 -0.064 0.000 1.095 396 D HN 0.747 nan 8.370 nan 0.000 0.539 397 D N -1.966 118.399 120.400 -0.057 0.000 2.311 397 D HA -0.178 4.464 4.640 0.002 0.000 0.212 397 D C 1.230 177.509 176.300 -0.034 0.000 0.972 397 D CA 2.107 56.079 54.000 -0.047 0.000 0.887 397 D CB -0.759 40.017 40.800 -0.040 0.000 0.915 397 D HN 0.523 nan 8.370 nan 0.000 0.497 398 K N -0.184 120.198 120.400 -0.030 0.000 2.373 398 K HA 0.594 4.915 4.320 0.002 0.000 0.202 398 K C 1.604 178.203 176.600 -0.002 0.000 1.025 398 K CA 0.321 56.600 56.287 -0.013 0.000 1.115 398 K CB -0.486 32.009 32.500 -0.009 0.000 0.858 398 K HN 0.452 nan 8.250 nan 0.000 0.525 399 G N 0.529 109.317 108.800 -0.019 0.000 2.157 399 G HA2 -0.249 3.712 3.960 0.002 0.000 0.248 399 G HA3 -0.249 3.712 3.960 0.002 0.000 0.248 399 G C 0.010 174.907 174.900 -0.005 0.000 0.979 399 G CA 0.185 45.287 45.100 0.003 0.000 0.650 399 G HN 0.667 nan 8.290 nan 0.000 0.529 400 N N -0.651 118.029 118.700 -0.033 0.000 2.515 400 N HA 0.507 5.249 4.740 0.002 0.000 0.279 400 N C 0.218 175.667 175.510 -0.102 0.000 1.164 400 N CA -0.575 52.462 53.050 -0.022 0.000 0.982 400 N CB 1.781 40.266 38.487 -0.003 0.000 1.170 400 N HN 0.052 nan 8.380 nan 0.000 0.474 401 V N 2.345 122.224 119.914 -0.059 0.000 2.555 401 V HA 0.129 4.250 4.120 0.002 0.000 0.286 401 V C 0.331 176.393 176.094 -0.053 0.000 1.044 401 V CA -0.203 62.047 62.300 -0.083 0.000 1.026 401 V CB 0.272 32.109 31.823 0.023 0.000 0.981 401 V HN 0.443 nan 8.190 nan 0.000 0.480 402 L N 7.259 128.441 121.223 -0.068 0.000 2.360 402 L HA 0.516 4.858 4.340 0.002 0.000 0.271 402 L C -1.782 175.067 176.870 -0.035 0.000 1.057 402 L CA -1.688 53.123 54.840 -0.049 0.000 0.803 402 L CB 1.623 43.647 42.059 -0.058 0.000 1.207 402 L HN 0.490 nan 8.230 nan 0.000 0.445 403 P HA 0.215 nan 4.420 nan 0.000 0.275 403 P C -2.692 174.585 177.300 -0.040 0.000 1.266 403 P CA -1.416 61.667 63.100 -0.028 0.000 0.793 403 P CB -0.537 31.150 31.700 -0.022 0.000 1.074 404 P HA 0.047 nan 4.420 nan 0.000 0.268 404 P C 0.778 178.057 177.300 -0.034 0.000 1.205 404 P CA 0.794 63.864 63.100 -0.051 0.000 0.771 404 P CB -0.025 31.646 31.700 -0.048 0.000 0.858 405 G N 1.413 110.196 108.800 -0.028 0.000 2.143 405 G HA2 -0.178 3.784 3.960 0.002 0.000 0.249 405 G HA3 -0.178 3.784 3.960 0.002 0.000 0.249 405 G C 0.003 174.888 174.900 -0.025 0.000 0.981 405 G CA 0.168 45.258 45.100 -0.017 0.000 0.665 405 G HN 0.698 nan 8.290 nan 0.000 0.528 406 T N 0.488 115.022 114.554 -0.033 0.000 2.786 406 T HA 0.503 4.855 4.350 0.002 0.000 0.283 406 T C -0.003 174.670 174.700 -0.045 0.000 0.992 406 T CA -0.365 61.712 62.100 -0.038 0.000 0.954 406 T CB 2.171 71.016 68.868 -0.038 0.000 0.934 406 T HN 0.428 nan 8.240 nan 0.000 0.440 407 E N 1.915 122.084 120.200 -0.053 0.000 2.398 407 E HA 0.467 4.818 4.350 0.002 0.000 0.263 407 E C 0.443 177.003 176.600 -0.066 0.000 1.046 407 E CA -0.000 56.360 56.400 -0.066 0.000 0.908 407 E CB 0.344 29.995 29.700 -0.082 0.000 0.963 407 E HN 0.861 nan 8.360 nan 0.000 0.431 408 G N 2.952 111.710 108.800 -0.070 0.000 2.494 408 G HA2 0.128 4.090 3.960 0.002 0.000 0.308 408 G HA3 0.128 4.090 3.960 0.002 0.000 0.308 408 G C -1.559 173.295 174.900 -0.077 0.000 1.263 408 G CA -0.708 44.347 45.100 -0.075 0.000 0.840 408 G HN 0.545 nan 8.290 nan 0.000 0.479 409 D N 0.529 120.880 120.400 -0.082 0.000 2.168 409 D HA 0.456 5.098 4.640 0.002 0.000 0.246 409 D C 0.087 176.357 176.300 -0.050 0.000 1.050 409 D CA -0.025 53.930 54.000 -0.075 0.000 0.857 409 D CB 2.272 43.018 40.800 -0.091 0.000 1.169 409 D HN 0.273 nan 8.370 nan 0.000 0.453 410 I N 1.336 121.903 120.570 -0.004 0.000 2.441 410 I HA 0.431 4.603 4.170 0.002 0.000 0.287 410 I C 1.098 177.242 176.117 0.045 0.000 1.049 410 I CA 0.080 61.405 61.300 0.043 0.000 1.381 410 I CB 1.238 39.279 38.000 0.068 0.000 1.409 410 I HN 0.305 nan 8.210 nan 0.000 0.523 411 G N 6.221 115.062 108.800 0.069 0.000 2.682 411 G HA2 0.748 4.710 3.960 0.002 0.000 0.290 411 G HA3 0.748 4.710 3.960 0.002 0.000 0.290 411 G C -1.409 173.688 174.900 0.329 0.000 1.425 411 G CA -0.562 44.647 45.100 0.182 0.000 0.807 411 G HN 0.427 nan 8.290 nan 0.000 0.482 412 I N 0.330 121.124 120.570 0.374 0.000 2.498 412 I HA 0.423 4.595 4.170 0.002 0.000 0.290 412 I C 0.407 176.533 176.117 0.015 0.000 1.032 412 I CA -0.818 60.572 61.300 0.150 0.000 1.073 412 I CB 2.308 40.175 38.000 -0.221 0.000 1.251 412 I HN 0.394 nan 8.210 nan 0.000 0.426 413 R N 4.662 124.987 120.500 -0.292 0.000 2.421 413 R HA 0.180 4.521 4.340 0.002 0.000 0.305 413 R C 0.485 176.592 176.300 -0.322 0.000 1.039 413 R CA 0.179 55.853 56.100 -0.709 0.000 1.003 413 R CB 0.589 30.532 30.300 -0.594 0.000 0.959 413 R HN 0.660 nan 8.270 nan 0.000 0.427 414 V N 0.422 120.180 119.914 -0.261 0.000 3.382 414 V HA 0.343 4.465 4.120 0.002 0.000 0.296 414 V C -0.209 175.823 176.094 -0.104 0.000 1.529 414 V CA -0.171 62.051 62.300 -0.131 0.000 1.048 414 V CB 0.100 31.889 31.823 -0.058 0.000 0.878 414 V HN 0.527 nan 8.190 nan 0.000 0.442 415 K N 1.781 122.100 120.400 -0.135 0.000 2.267 415 K HA 0.566 4.887 4.320 0.002 0.000 0.246 415 K C -2.132 174.404 176.600 -0.107 0.000 0.954 415 K CA -1.591 54.641 56.287 -0.091 0.000 0.824 415 K CB 2.523 34.986 32.500 -0.062 0.000 1.167 415 K HN -0.094 nan 8.250 nan 0.000 0.431 416 P HA 0.014 nan 4.420 nan 0.000 0.227 416 P C -0.015 177.260 177.300 -0.043 0.000 1.161 416 P CA 0.795 63.868 63.100 -0.044 0.000 0.788 416 P CB 0.448 32.130 31.700 -0.030 0.000 0.822 417 I N 0.744 121.286 120.570 -0.048 0.000 2.336 417 I HA 0.291 4.462 4.170 0.002 0.000 0.292 417 I C 0.826 176.913 176.117 -0.049 0.000 0.991 417 I CA -1.087 60.189 61.300 -0.040 0.000 1.227 417 I CB 1.637 39.620 38.000 -0.029 0.000 1.366 417 I HN -0.244 nan 8.210 nan 0.000 0.466 418 R N 8.630 129.101 120.500 -0.048 0.000 2.234 418 R HA 0.367 4.709 4.340 0.002 0.000 0.324 418 R C -2.418 173.867 176.300 -0.025 0.000 1.054 418 R CA -1.361 54.706 56.100 -0.055 0.000 0.912 418 R CB 0.823 31.079 30.300 -0.072 0.000 1.030 418 R HN 0.273 nan 8.270 nan 0.000 0.455 419 P HA 0.041 nan 4.420 nan 0.000 0.274 419 P C -0.232 177.121 177.300 0.088 0.000 1.237 419 P CA -0.151 62.995 63.100 0.077 0.000 0.793 419 P CB 0.718 32.545 31.700 0.211 0.000 0.977 420 I N 0.930 121.530 120.570 0.051 0.000 2.668 420 I HA 0.173 4.344 4.170 0.002 0.000 0.285 420 I C 1.725 177.873 176.117 0.051 0.000 1.168 420 I CA 1.677 62.984 61.300 0.012 0.000 1.424 420 I CB -0.518 37.452 38.000 -0.050 0.000 1.377 420 I HN 0.789 nan 8.210 nan 0.000 0.560 421 G N 5.827 114.666 108.800 0.065 0.000 2.391 421 G HA2 -0.166 3.795 3.960 0.002 0.000 0.204 421 G HA3 -0.166 3.795 3.960 0.002 0.000 0.204 421 G C 0.248 175.262 174.900 0.191 0.000 1.012 421 G CA -0.703 44.466 45.100 0.115 0.000 0.651 421 G HN 0.377 nan 8.290 nan 0.000 0.494 422 I N 3.209 123.851 120.570 0.119 0.000 2.696 422 I HA 0.396 4.567 4.170 0.002 0.000 0.284 422 I C 1.480 177.570 176.117 -0.045 0.000 1.129 422 I CA -1.041 60.232 61.300 -0.045 0.000 1.410 422 I CB -0.259 37.622 38.000 -0.198 0.000 1.399 422 I HN 0.365 nan 8.210 nan 0.000 0.579 423 F N 3.050 122.690 119.950 -0.517 0.000 2.426 423 F HA 0.222 4.750 4.527 0.002 0.000 0.309 423 F C 1.179 176.665 175.800 -0.523 0.000 1.246 423 F CA -0.567 56.992 58.000 -0.734 0.000 1.229 423 F CB 0.306 38.633 39.000 -1.122 0.000 1.255 423 F HN 0.396 nan 8.300 nan 0.000 0.558 424 S N 0.281 115.511 115.700 -0.783 0.000 2.528 424 S HA 0.431 4.902 4.470 0.002 0.000 0.219 424 S C 0.456 174.496 174.600 -0.934 0.000 0.985 424 S CA 0.393 58.190 58.200 -0.673 0.000 0.914 424 S CB -0.275 62.692 63.200 -0.389 0.000 0.776 424 S HN 1.264 nan 8.310 nan 0.000 0.526 425 G N 0.446 108.169 108.800 -1.796 0.000 2.362 425 G HA2 0.054 4.016 3.960 0.002 0.000 0.656 425 G HA3 0.054 4.016 3.960 0.002 0.000 0.656 425 G C -1.519 172.884 174.900 -0.829 0.000 1.376 425 G CA -1.227 43.026 45.100 -1.412 0.000 0.971 425 G HN 0.087 nan 8.290 nan 0.000 0.636 426 Y N 0.008 120.217 120.300 -0.151 0.000 2.436 426 Y HA 0.404 4.956 4.550 0.004 0.000 0.336 426 Y C 1.441 177.312 175.900 -0.050 0.000 1.049 426 Y CA -0.384 57.751 58.100 0.058 0.000 1.294 426 Y CB 1.088 39.646 38.460 0.163 0.000 1.179 426 Y HN 0.413 nan 8.280 nan 0.000 0.520 427 V N 5.003 124.961 119.914 0.073 0.000 2.599 427 V HA -0.070 4.052 4.120 0.002 0.000 0.300 427 V C 0.349 176.451 176.094 0.012 0.000 1.034 427 V CA 0.260 62.551 62.300 -0.016 0.000 1.115 427 V CB 0.376 32.158 31.823 -0.068 0.000 0.934 427 V HN 0.928 nan 8.190 nan 0.000 0.485 428 D N 2.790 123.188 120.400 -0.003 0.000 3.079 428 D HA -0.177 4.464 4.640 0.002 0.000 0.214 428 D C 0.401 176.718 176.300 0.029 0.000 1.145 428 D CA 1.282 55.285 54.000 0.006 0.000 0.958 428 D CB -1.056 39.744 40.800 -0.001 0.000 1.117 428 D HN 0.797 nan 8.370 nan 0.000 0.416 429 N N -0.191 118.543 118.700 0.058 0.000 2.703 429 N HA 0.096 4.837 4.740 0.002 0.000 0.283 429 N C -2.005 173.571 175.510 0.111 0.000 1.851 429 N CA -0.824 52.277 53.050 0.086 0.000 0.826 429 N CB 1.661 40.211 38.487 0.105 0.000 1.239 429 N HN 0.022 nan 8.380 nan 0.000 0.495 430 P HA -0.133 nan 4.420 nan 0.000 0.216 430 P C 0.712 178.063 177.300 0.085 0.000 1.150 430 P CA 1.306 64.440 63.100 0.056 0.000 0.843 430 P CB 0.505 32.218 31.700 0.023 0.000 0.787 431 D N 0.173 120.617 120.400 0.073 0.000 2.123 431 D HA -0.145 4.496 4.640 0.002 0.000 0.196 431 D C 1.921 178.281 176.300 0.100 0.000 0.992 431 D CA 1.306 55.347 54.000 0.068 0.000 0.833 431 D CB -0.481 40.345 40.800 0.045 0.000 0.954 431 D HN 0.218 nan 8.370 nan 0.000 0.455 432 K N -0.238 120.241 120.400 0.130 0.000 2.148 432 K HA -0.022 4.300 4.320 0.002 0.000 0.204 432 K C 2.102 178.924 176.600 0.370 0.000 1.050 432 K CA 1.038 57.424 56.287 0.164 0.000 0.942 432 K CB 0.009 32.544 32.500 0.059 0.000 0.724 432 K HN 0.034 nan 8.250 nan 0.000 0.446 433 T N 0.605 115.432 114.554 0.456 0.000 2.737 433 T HA -0.136 4.215 4.350 0.002 0.000 0.265 433 T C 1.942 176.860 174.700 0.363 0.000 1.038 433 T CA 1.366 63.777 62.100 0.518 0.000 1.144 433 T CB -0.301 68.710 68.868 0.238 0.000 0.866 433 T HN 0.300 nan 8.240 nan 0.000 0.434 434 A N 1.436 124.380 122.820 0.207 0.000 1.978 434 A HA 0.127 4.448 4.320 0.002 0.000 0.220 434 A C 2.567 180.196 177.584 0.076 0.000 1.170 434 A CA 1.751 53.864 52.037 0.126 0.000 0.636 434 A CB -0.959 18.090 19.000 0.081 0.000 0.810 434 A HN 0.514 nan 8.150 nan 0.000 0.448 435 A N -0.163 122.699 122.820 0.070 0.000 2.067 435 A HA -0.109 4.212 4.320 0.002 0.000 0.219 435 A C 1.579 179.122 177.584 -0.069 0.000 1.158 435 A CA 1.524 53.566 52.037 0.008 0.000 0.661 435 A CB -0.403 18.605 19.000 0.012 0.000 0.801 435 A HN 0.507 nan 8.150 nan 0.000 0.452 436 N N -0.627 117.989 118.700 -0.140 0.000 2.336 436 N HA 0.205 4.946 4.740 0.002 0.000 0.189 436 N C -0.298 174.955 175.510 -0.429 0.000 1.113 436 N CA 0.239 53.013 53.050 -0.461 0.000 0.858 436 N CB 0.155 37.996 38.487 -1.078 0.000 0.970 436 N HN 0.448 nan 8.380 nan 0.000 0.471 437 I N 0.915 121.413 120.570 -0.120 0.000 2.312 437 I HA 0.220 4.391 4.170 0.002 0.000 0.290 437 I C 0.298 176.420 176.117 0.008 0.000 1.008 437 I CA -0.532 60.773 61.300 0.009 0.000 1.226 437 I CB 1.137 39.209 38.000 0.120 0.000 1.371 437 I HN -0.229 nan 8.210 nan 0.000 0.468 438 R N 5.355 125.874 120.500 0.031 0.000 2.360 438 R HA 0.524 4.866 4.340 0.002 0.000 0.318 438 R C 0.625 176.993 176.300 0.114 0.000 0.950 438 R CA 0.258 56.384 56.100 0.043 0.000 0.837 438 R CB 1.333 31.635 30.300 0.004 0.000 1.165 438 R HN 0.855 nan 8.270 nan 0.000 0.458 439 G N 3.955 112.809 108.800 0.090 0.000 2.651 439 G HA2 -0.390 3.571 3.960 0.002 0.000 0.315 439 G HA3 -0.390 3.571 3.960 0.002 0.000 0.315 439 G C 0.218 175.187 174.900 0.115 0.000 1.258 439 G CA 0.720 45.885 45.100 0.108 0.000 1.002 439 G HN 0.713 nan 8.290 nan 0.000 0.551 440 D N 0.769 121.256 120.400 0.145 0.000 2.340 440 D HA 0.326 4.968 4.640 0.002 0.000 0.220 440 D C 0.441 176.647 176.300 -0.158 0.000 1.039 440 D CA 0.409 54.398 54.000 -0.019 0.000 0.866 440 D CB -0.022 40.714 40.800 -0.107 0.000 0.913 440 D HN 0.169 nan 8.370 nan 0.000 0.523 441 F N -0.104 119.872 119.950 0.044 0.000 2.492 441 F HA 0.300 4.829 4.527 0.005 0.000 0.327 441 F C 0.113 175.972 175.800 0.098 0.000 1.079 441 F CA -1.356 56.679 58.000 0.060 0.000 0.967 441 F CB 1.638 40.656 39.000 0.030 0.000 1.169 441 F HN -0.110 nan 8.300 nan 0.000 0.472 442 W N 6.533 127.905 121.300 0.119 0.000 2.332 442 W HA 0.476 5.138 4.660 0.003 0.000 0.306 442 W C -1.720 174.853 176.519 0.090 0.000 1.149 442 W CA -0.849 56.539 57.345 0.071 0.000 1.271 442 W CB 0.715 30.174 29.460 -0.002 0.000 1.243 442 W HN 0.355 nan 8.180 nan 0.000 0.459 443 L N 7.502 128.389 121.223 -0.560 0.000 2.319 443 L HA 0.033 4.374 4.340 0.002 0.000 0.280 443 L C 1.101 177.662 176.870 -0.514 0.000 1.099 443 L CA -0.638 53.967 54.840 -0.391 0.000 0.828 443 L CB 1.138 43.018 42.059 -0.299 0.000 1.150 443 L HN 0.441 nan 8.230 nan 0.000 0.442 444 L N 2.958 124.123 121.223 -0.096 0.000 2.291 444 L HA 0.067 4.408 4.340 0.002 0.000 0.214 444 L C 1.650 178.539 176.870 0.033 0.000 1.120 444 L CA 1.329 56.212 54.840 0.071 0.000 0.799 444 L CB -0.454 41.718 42.059 0.188 0.000 0.925 444 L HN 1.015 nan 8.230 nan 0.000 0.446 445 G N -1.527 107.260 108.800 -0.021 0.000 2.144 445 G HA2 -0.199 3.763 3.960 0.002 0.000 0.218 445 G HA3 -0.199 3.763 3.960 0.002 0.000 0.218 445 G C -0.120 174.799 174.900 0.031 0.000 0.988 445 G CA -0.061 45.029 45.100 -0.016 0.000 0.659 445 G HN 0.311 nan 8.290 nan 0.000 0.522 446 D N 0.187 120.634 120.400 0.078 0.000 2.252 446 D HA 0.530 5.171 4.640 0.002 0.000 0.245 446 D C 0.429 176.698 176.300 -0.052 0.000 1.009 446 D CA -0.569 53.482 54.000 0.084 0.000 0.870 446 D CB 1.106 42.098 40.800 0.321 0.000 1.251 446 D HN 0.023 nan 8.370 nan 0.000 0.460 447 R N 0.338 120.713 120.500 -0.208 0.000 2.500 447 R HA 0.744 5.086 4.340 0.002 0.000 0.275 447 R C 0.388 176.556 176.300 -0.220 0.000 1.051 447 R CA -0.608 55.361 56.100 -0.219 0.000 1.088 447 R CB 1.291 31.423 30.300 -0.279 0.000 1.063 447 R HN 0.621 nan 8.270 nan 0.000 0.511 448 G N 0.804 109.532 108.800 -0.120 0.000 2.646 448 G HA2 0.586 4.547 3.960 0.002 0.000 0.291 448 G HA3 0.586 4.547 3.960 0.002 0.000 0.291 448 G C -1.266 173.620 174.900 -0.023 0.000 1.445 448 G CA -0.654 44.414 45.100 -0.054 0.000 0.814 448 G HN 0.372 nan 8.290 nan 0.000 0.495 449 I N 0.191 120.755 120.570 -0.009 0.000 2.608 449 I HA 0.467 4.639 4.170 0.002 0.000 0.295 449 I C -0.185 175.920 176.117 -0.019 0.000 1.049 449 I CA -0.843 60.447 61.300 -0.016 0.000 1.063 449 I CB 2.627 40.612 38.000 -0.024 0.000 1.248 449 I HN 0.287 nan 8.210 nan 0.000 0.424 450 K N 4.259 124.590 120.400 -0.115 0.000 2.206 450 K HA 0.277 4.598 4.320 0.002 0.000 0.264 450 K C -0.834 175.706 176.600 -0.101 0.000 0.967 450 K CA -0.658 55.461 56.287 -0.280 0.000 0.844 450 K CB 1.218 33.420 32.500 -0.496 0.000 1.099 450 K HN 0.652 nan 8.250 nan 0.000 0.441 451 D N 2.007 122.382 120.400 -0.042 0.000 2.478 451 D HA -0.062 4.579 4.640 0.002 0.000 0.274 451 D C 0.838 177.091 176.300 -0.078 0.000 1.234 451 D CA -0.099 53.873 54.000 -0.046 0.000 1.069 451 D CB 0.474 41.201 40.800 -0.121 0.000 1.113 451 D HN 0.689 nan 8.370 nan 0.000 0.571 452 E N -0.882 119.270 120.200 -0.080 0.000 2.204 452 E HA -0.183 4.168 4.350 0.002 0.000 0.194 452 E C 0.233 176.810 176.600 -0.038 0.000 0.989 452 E CA 1.023 57.387 56.400 -0.059 0.000 0.824 452 E CB -0.250 29.415 29.700 -0.060 0.000 0.756 452 E HN 0.359 nan 8.360 nan 0.000 0.477 453 D N -0.032 120.351 120.400 -0.029 0.000 2.349 453 D HA 0.106 4.748 4.640 0.002 0.000 0.214 453 D C 0.994 177.370 176.300 0.126 0.000 1.063 453 D CA 0.752 54.788 54.000 0.059 0.000 0.847 453 D CB 1.042 41.891 40.800 0.082 0.000 0.933 453 D HN 0.420 nan 8.370 nan 0.000 0.513 454 G N 0.804 109.628 108.800 0.040 0.000 2.141 454 G HA2 -0.280 3.681 3.960 0.002 0.000 0.231 454 G HA3 -0.280 3.681 3.960 0.002 0.000 0.231 454 G C -0.042 174.824 174.900 -0.056 0.000 0.984 454 G CA -0.448 44.618 45.100 -0.056 0.000 0.660 454 G HN 0.344 nan 8.290 nan 0.000 0.525 455 Y N -0.560 119.655 120.300 -0.143 0.000 2.346 455 Y HA 0.545 5.097 4.550 0.003 0.000 0.330 455 Y C 0.860 176.785 175.900 0.041 0.000 1.178 455 Y CA -0.463 57.638 58.100 0.001 0.000 1.331 455 Y CB 0.501 38.885 38.460 -0.127 0.000 1.253 455 Y HN 0.094 nan 8.280 nan 0.000 0.529 456 F N 1.880 122.023 119.950 0.323 0.000 2.421 456 F HA 0.312 4.840 4.527 0.002 0.000 0.337 456 F C 0.056 175.972 175.800 0.193 0.000 1.105 456 F CA -0.677 57.449 58.000 0.211 0.000 1.049 456 F CB 1.382 40.410 39.000 0.047 0.000 1.139 456 F HN 0.342 nan 8.300 nan 0.000 0.479 457 Q N 4.095 123.992 119.800 0.162 0.000 2.341 457 Q HA 0.293 4.634 4.340 0.002 0.000 0.268 457 Q C -1.149 174.826 176.000 -0.042 0.000 1.013 457 Q CA -0.902 54.807 55.803 -0.157 0.000 0.798 457 Q CB 1.129 29.578 28.738 -0.483 0.000 1.253 457 Q HN 0.646 nan 8.270 nan 0.000 0.457 458 F N 4.645 124.484 119.950 -0.185 0.000 2.529 458 F HA 0.068 4.596 4.527 0.002 0.000 0.365 458 F C 0.233 175.940 175.800 -0.154 0.000 1.102 458 F CA 0.522 58.410 58.000 -0.187 0.000 1.271 458 F CB 0.655 39.541 39.000 -0.189 0.000 1.120 458 F HN 0.636 nan 8.300 nan 0.000 0.579 459 M N 5.315 124.452 119.600 -0.771 0.000 2.414 459 M HA 0.320 4.802 4.480 0.002 0.000 0.357 459 M C 0.207 176.027 176.300 -0.800 0.000 1.059 459 M CA 0.403 55.344 55.300 -0.598 0.000 0.959 459 M CB -0.335 32.057 32.600 -0.346 0.000 1.522 459 M HN 0.799 nan 8.290 nan 0.000 0.551 460 G N 1.311 109.179 108.800 -1.554 0.000 2.539 460 G HA2 -0.074 3.888 3.960 0.002 0.000 0.686 460 G HA3 -0.074 3.888 3.960 0.002 0.000 0.686 460 G C -0.860 173.645 174.900 -0.659 0.000 1.258 460 G CA -1.145 43.351 45.100 -1.008 0.000 0.846 460 G HN 0.154 nan 8.290 nan 0.000 0.647 461 R N 0.503 120.876 120.500 -0.212 0.000 2.522 461 R HA 0.439 4.781 4.340 0.002 0.000 0.284 461 R C 1.774 177.994 176.300 -0.132 0.000 1.032 461 R CA 0.549 56.612 56.100 -0.060 0.000 1.049 461 R CB 0.617 30.924 30.300 0.012 0.000 0.956 461 R HN 1.192 nan 8.270 nan 0.000 0.422 462 A N 3.101 125.862 122.820 -0.098 0.000 1.969 462 A HA -0.153 4.168 4.320 0.002 0.000 0.218 462 A C 0.639 178.177 177.584 -0.076 0.000 1.169 462 A CA 1.734 53.711 52.037 -0.099 0.000 0.635 462 A CB -0.215 18.735 19.000 -0.084 0.000 0.810 462 A HN 0.807 nan 8.150 nan 0.000 0.445 463 D N -2.122 118.248 120.400 -0.051 0.000 2.607 463 D HA 0.281 4.922 4.640 0.002 0.000 0.253 463 D C -0.394 175.890 176.300 -0.027 0.000 1.171 463 D CA -0.286 53.691 54.000 -0.038 0.000 1.084 463 D CB -0.191 40.592 40.800 -0.027 0.000 1.203 463 D HN -0.080 nan 8.370 nan 0.000 0.629 464 D N -0.821 119.572 120.400 -0.012 0.000 2.339 464 D HA 0.192 4.834 4.640 0.002 0.000 0.217 464 D C 0.322 176.634 176.300 0.019 0.000 1.050 464 D CA -0.126 53.875 54.000 0.002 0.000 0.856 464 D CB -0.062 40.741 40.800 0.004 0.000 0.922 464 D HN 0.331 nan 8.370 nan 0.000 0.518 465 I N 1.262 121.846 120.570 0.023 0.000 2.692 465 I HA -0.012 4.160 4.170 0.002 0.000 0.284 465 I C 0.616 176.764 176.117 0.051 0.000 1.159 465 I CA 0.176 61.500 61.300 0.040 0.000 1.423 465 I CB 0.698 38.728 38.000 0.050 0.000 1.380 465 I HN -0.283 nan 8.210 nan 0.000 0.580 466 I N 5.721 126.327 120.570 0.059 0.000 2.525 466 I HA 0.276 4.448 4.170 0.002 0.000 0.301 466 I C -0.091 176.067 176.117 0.069 0.000 0.992 466 I CA -0.556 60.788 61.300 0.073 0.000 1.162 466 I CB 1.608 39.650 38.000 0.070 0.000 1.332 466 I HN 0.490 nan 8.210 nan 0.000 0.458 467 N N 3.227 121.972 118.700 0.075 0.000 2.623 467 N HA 0.188 4.930 4.740 0.002 0.000 0.256 467 N C -1.356 174.182 175.510 0.048 0.000 1.045 467 N CA -0.169 52.906 53.050 0.041 0.000 0.863 467 N CB 1.412 39.912 38.487 0.022 0.000 1.182 467 N HN 0.515 nan 8.380 nan 0.000 0.523 468 S N 2.613 118.341 115.700 0.046 0.000 2.422 468 S HA 0.596 5.068 4.470 0.002 0.000 0.308 468 S C 0.397 175.019 174.600 0.036 0.000 1.097 468 S CA 0.122 58.350 58.200 0.046 0.000 1.099 468 S CB -0.073 63.152 63.200 0.042 0.000 0.976 468 S HN 0.675 nan 8.310 nan 0.000 0.471 469 S N 4.040 119.747 115.700 0.011 0.000 4.114 469 S HA -0.247 4.224 4.470 0.002 0.000 0.618 469 S C 1.369 175.878 174.600 -0.152 0.000 1.937 469 S CA 1.171 59.354 58.200 -0.027 0.000 4.228 469 S CB -1.663 61.547 63.200 0.016 0.000 0.216 469 S HN 1.157 nan 8.310 nan 0.000 0.528 470 G N -0.019 108.566 108.800 -0.358 0.000 2.494 470 G HA2 0.233 4.194 3.960 0.002 0.000 0.216 470 G HA3 0.233 4.194 3.960 0.002 0.000 0.216 470 G C 0.083 174.418 174.900 -0.941 0.000 1.140 470 G CA 0.408 45.031 45.100 -0.795 0.000 0.801 470 G HN 0.533 nan 8.290 nan 0.000 0.536 471 Y N 0.660 120.610 120.300 -0.583 0.000 2.442 471 Y HA 0.308 4.860 4.550 0.003 0.000 0.330 471 Y C 0.999 176.713 175.900 -0.310 0.000 1.129 471 Y CA -0.612 57.136 58.100 -0.587 0.000 1.365 471 Y CB 0.690 38.781 38.460 -0.616 0.000 1.233 471 Y HN -0.074 nan 8.280 nan 0.000 0.529 472 R N 4.537 124.946 120.500 -0.150 0.000 2.216 472 R HA 0.512 4.854 4.340 0.002 0.000 0.332 472 R C -1.486 174.869 176.300 0.092 0.000 1.056 472 R CA -0.217 55.873 56.100 -0.016 0.000 0.901 472 R CB 0.040 30.330 30.300 -0.017 0.000 1.039 472 R HN 0.766 nan 8.270 nan 0.000 0.456 473 I N 2.937 123.571 120.570 0.107 0.000 2.509 473 I HA 0.335 4.507 4.170 0.002 0.000 0.293 473 I C 0.383 176.543 176.117 0.072 0.000 1.020 473 I CA -0.741 60.636 61.300 0.127 0.000 1.088 473 I CB 2.315 40.388 38.000 0.122 0.000 1.267 473 I HN 0.708 nan 8.210 nan 0.000 0.430 474 G N 5.826 114.659 108.800 0.054 0.000 2.325 474 G HA2 0.407 4.368 3.960 0.002 0.000 0.298 474 G HA3 0.407 4.368 3.960 0.002 0.000 0.298 474 G C -1.844 173.060 174.900 0.006 0.000 1.134 474 G CA -1.165 43.951 45.100 0.027 0.000 0.876 474 G HN 0.391 nan 8.290 nan 0.000 0.452 475 P HA -0.119 nan 4.420 nan 0.000 0.217 475 P C 1.932 179.227 177.300 -0.009 0.000 1.150 475 P CA 0.980 64.082 63.100 0.005 0.000 0.832 475 P CB 0.313 32.023 31.700 0.016 0.000 0.787 476 S N 0.501 116.193 115.700 -0.013 0.000 2.387 476 S HA -0.203 4.268 4.470 0.002 0.000 0.230 476 S C 1.869 176.444 174.600 -0.043 0.000 1.035 476 S CA 1.535 59.721 58.200 -0.023 0.000 1.014 476 S CB -0.835 62.349 63.200 -0.025 0.000 0.836 476 S HN 0.377 nan 8.310 nan 0.000 0.466 477 E N 0.357 120.522 120.200 -0.058 0.000 2.085 477 E HA -0.129 4.222 4.350 0.002 0.000 0.194 477 E C 2.084 178.636 176.600 -0.080 0.000 0.994 477 E CA 1.453 57.800 56.400 -0.089 0.000 0.801 477 E CB -0.193 29.448 29.700 -0.098 0.000 0.743 477 E HN 0.333 nan 8.360 nan 0.000 0.453 478 V N 1.036 120.914 119.914 -0.060 0.000 2.407 478 V HA -0.178 3.943 4.120 0.002 0.000 0.245 478 V C 1.965 178.043 176.094 -0.026 0.000 1.041 478 V CA 1.603 63.870 62.300 -0.055 0.000 1.040 478 V CB -0.478 31.316 31.823 -0.049 0.000 0.671 478 V HN 0.178 nan 8.190 nan 0.000 0.455 479 E N 0.776 120.967 120.200 -0.014 0.000 2.070 479 E HA -0.250 4.102 4.350 0.002 0.000 0.197 479 E C 2.146 178.749 176.600 0.005 0.000 1.004 479 E CA 1.629 58.031 56.400 0.002 0.000 0.805 479 E CB -0.269 29.433 29.700 0.005 0.000 0.744 479 E HN 0.531 nan 8.360 nan 0.000 0.451 480 N N 0.548 119.242 118.700 -0.011 0.000 2.104 480 N HA -0.174 4.567 4.740 0.002 0.000 0.190 480 N C 1.637 177.155 175.510 0.014 0.000 1.024 480 N CA 1.432 54.478 53.050 -0.007 0.000 0.853 480 N CB -0.427 38.041 38.487 -0.033 0.000 1.008 480 N HN 0.183 nan 8.380 nan 0.000 0.424 481 A N 0.755 123.575 122.820 0.000 0.000 1.898 481 A HA -0.014 4.307 4.320 0.002 0.000 0.216 481 A C 2.397 180.077 177.584 0.159 0.000 1.181 481 A CA 0.832 52.880 52.037 0.018 0.000 0.620 481 A CB -0.667 18.292 19.000 -0.068 0.000 0.819 481 A HN 0.217 nan 8.150 nan 0.000 0.442 482 L N -0.937 120.353 121.223 0.112 0.000 2.093 482 L HA -0.157 4.185 4.340 0.002 0.000 0.208 482 L C 2.559 179.487 176.870 0.096 0.000 1.085 482 L CA 0.876 55.791 54.840 0.126 0.000 0.755 482 L CB -0.347 41.743 42.059 0.052 0.000 0.904 482 L HN 0.314 nan 8.230 nan 0.000 0.435 483 M N -0.735 118.906 119.600 0.067 0.000 2.446 483 M HA -0.175 4.306 4.480 0.002 0.000 0.263 483 M C 1.823 178.149 176.300 0.044 0.000 1.066 483 M CA 1.352 56.677 55.300 0.041 0.000 1.087 483 M CB -0.900 31.716 32.600 0.027 0.000 1.406 483 M HN 0.279 nan 8.290 nan 0.000 0.459 484 E N -1.015 119.242 120.200 0.096 0.000 2.418 484 E HA -0.092 4.260 4.350 0.002 0.000 0.197 484 E C 0.701 177.289 176.600 -0.020 0.000 1.026 484 E CA 0.178 56.629 56.400 0.086 0.000 0.862 484 E CB 0.074 29.885 29.700 0.185 0.000 0.799 484 E HN 0.380 nan 8.360 nan 0.000 0.518 485 H N 0.263 119.210 119.070 -0.206 0.000 2.580 485 H HA 0.061 4.619 4.556 0.002 0.000 0.322 485 H C -1.819 173.349 175.328 -0.268 0.000 1.082 485 H CA -2.144 53.662 56.048 -0.404 0.000 1.383 485 H CB 1.516 30.908 29.762 -0.617 0.000 1.450 485 H HN -0.109 nan 8.280 nan 0.000 0.505 486 P HA -0.112 nan 4.420 nan 0.000 0.219 486 P C 1.030 178.222 177.300 -0.180 0.000 1.146 486 P CA 1.453 64.448 63.100 -0.176 0.000 0.808 486 P CB 0.119 31.739 31.700 -0.132 0.000 0.779 487 A N -0.910 121.666 122.820 -0.405 0.000 2.121 487 A HA -0.000 4.321 4.320 0.002 0.000 0.218 487 A C 1.050 178.429 177.584 -0.343 0.000 1.154 487 A CA 0.783 52.282 52.037 -0.896 0.000 0.679 487 A CB -0.769 17.239 19.000 -1.653 0.000 0.795 487 A HN 0.092 nan 8.150 nan 0.000 0.458 488 V N 1.369 121.184 119.914 -0.166 0.000 2.318 488 V HA 0.200 4.322 4.120 0.002 0.000 0.271 488 V C 1.245 177.323 176.094 -0.028 0.000 1.030 488 V CA 0.207 62.465 62.300 -0.070 0.000 0.844 488 V CB 1.168 32.967 31.823 -0.040 0.000 1.015 488 V HN 0.375 nan 8.190 nan 0.000 0.460 489 V N 1.335 121.245 119.914 -0.007 0.000 3.307 489 V HA 0.432 4.553 4.120 0.002 0.000 0.253 489 V C 0.563 176.666 176.094 0.016 0.000 1.149 489 V CA 0.687 62.991 62.300 0.007 0.000 1.112 489 V CB 0.057 31.889 31.823 0.014 0.000 0.777 489 V HN 0.774 nan 8.190 nan 0.000 0.464 490 E N -0.862 119.353 120.200 0.025 0.000 2.372 490 E HA 0.601 4.953 4.350 0.002 0.000 0.279 490 E C -1.420 175.207 176.600 0.046 0.000 0.946 490 E CA -0.261 56.158 56.400 0.031 0.000 0.769 490 E CB 2.675 32.393 29.700 0.030 0.000 1.230 490 E HN 0.260 nan 8.360 nan 0.000 0.442 491 T N 0.283 114.863 114.554 0.044 0.000 2.894 491 T HA 0.771 5.123 4.350 0.002 0.000 0.309 491 T C -2.038 172.698 174.700 0.059 0.000 1.208 491 T CA -0.274 61.861 62.100 0.059 0.000 1.016 491 T CB 1.491 70.384 68.868 0.042 0.000 1.192 491 T HN 0.486 nan 8.240 nan 0.000 0.491 492 A N 2.785 125.662 122.820 0.095 0.000 2.402 492 A HA 0.723 5.044 4.320 0.002 0.000 0.291 492 A C -1.312 176.354 177.584 0.135 0.000 1.051 492 A CA -0.507 51.585 52.037 0.091 0.000 0.716 492 A CB 1.508 20.545 19.000 0.063 0.000 1.223 492 A HN 0.735 nan 8.150 nan 0.000 0.425 493 V N 4.343 124.308 119.914 0.085 0.000 2.417 493 V HA 0.677 4.798 4.120 0.002 0.000 0.291 493 V C 0.065 176.211 176.094 0.087 0.000 1.024 493 V CA -0.165 62.179 62.300 0.073 0.000 0.861 493 V CB 0.965 32.801 31.823 0.022 0.000 0.985 493 V HN 0.901 nan 8.190 nan 0.000 0.436 494 I N 1.710 122.351 120.570 0.119 0.000 3.354 494 I HA 0.813 4.984 4.170 0.002 0.000 0.316 494 I C 0.098 176.306 176.117 0.151 0.000 1.182 494 I CA -0.822 60.561 61.300 0.138 0.000 0.942 494 I CB 2.387 40.499 38.000 0.188 0.000 1.299 494 I HN 0.551 nan 8.210 nan 0.000 0.473 495 S N 1.351 117.181 115.700 0.216 0.000 2.603 495 S HA 0.652 5.123 4.470 0.002 0.000 0.268 495 S C -0.134 174.717 174.600 0.419 0.000 1.317 495 S CA -0.303 58.084 58.200 0.313 0.000 1.012 495 S CB 1.320 64.758 63.200 0.398 0.000 0.926 495 S HN 0.934 nan 8.310 nan 0.000 0.539 496 S N 1.187 117.028 115.700 0.235 0.000 2.537 496 S HA 0.657 5.129 4.470 0.002 0.000 0.270 496 S C -3.323 171.006 174.600 -0.451 0.000 1.142 496 S CA -1.353 56.738 58.200 -0.183 0.000 0.870 496 S CB 1.766 64.868 63.200 -0.163 0.000 1.112 496 S HN 0.650 nan 8.310 nan 0.000 0.466 497 P HA 0.341 nan 4.420 nan 0.000 0.292 497 P C -1.537 175.546 177.300 -0.361 0.000 1.287 497 P CA -0.085 62.564 63.100 -0.751 0.000 0.800 497 P CB 0.764 31.849 31.700 -1.025 0.000 0.945 498 D N 4.076 124.350 120.400 -0.210 0.000 2.505 498 D HA 0.248 4.890 4.640 0.002 0.000 0.249 498 D C -1.818 174.433 176.300 -0.083 0.000 1.082 498 D CA -2.337 51.584 54.000 -0.132 0.000 0.839 498 D CB 2.246 42.989 40.800 -0.096 0.000 1.317 498 D HN 0.020 nan 8.370 nan 0.000 0.497 499 P HA -0.066 nan 4.420 nan 0.000 0.222 499 P C 1.378 178.672 177.300 -0.009 0.000 1.147 499 P CA 0.380 63.459 63.100 -0.035 0.000 0.790 499 P CB 0.602 32.283 31.700 -0.032 0.000 0.780 500 V N -0.360 119.549 119.914 -0.008 0.000 2.426 500 V HA -0.032 4.089 4.120 0.002 0.000 0.242 500 V C 2.302 178.409 176.094 0.022 0.000 1.036 500 V CA 1.531 63.838 62.300 0.012 0.000 1.044 500 V CB -0.498 31.332 31.823 0.012 0.000 0.688 500 V HN 0.038 nan 8.190 nan 0.000 0.462 501 R N -0.852 119.655 120.500 0.011 0.000 2.225 501 R HA 0.402 4.743 4.340 0.002 0.000 0.194 501 R C 1.536 177.853 176.300 0.029 0.000 0.957 501 R CA 0.873 56.987 56.100 0.023 0.000 1.042 501 R CB 0.533 30.840 30.300 0.012 0.000 1.004 501 R HN 0.535 nan 8.270 nan 0.000 0.509 502 G N 1.379 110.191 108.800 0.020 0.000 2.780 502 G HA2 -0.268 3.693 3.960 0.002 0.000 0.237 502 G HA3 -0.268 3.693 3.960 0.002 0.000 0.237 502 G C -0.622 174.315 174.900 0.061 0.000 1.965 502 G CA -0.118 45.013 45.100 0.051 0.000 1.577 502 G HN 0.278 nan 8.290 nan 0.000 0.543 503 E N 0.383 120.643 120.200 0.101 0.000 2.187 503 E HA 0.580 4.931 4.350 0.002 0.000 0.268 503 E C -0.087 176.551 176.600 0.063 0.000 0.896 503 E CA -0.436 56.058 56.400 0.157 0.000 0.766 503 E CB 2.064 31.930 29.700 0.277 0.000 1.142 503 E HN 1.148 nan 8.360 nan 0.000 0.408 504 V N 0.997 120.921 119.914 0.017 0.000 3.113 504 V HA 0.619 4.741 4.120 0.002 0.000 0.316 504 V C -0.649 175.419 176.094 -0.043 0.000 1.125 504 V CA -0.908 61.364 62.300 -0.047 0.000 1.026 504 V CB 1.767 33.522 31.823 -0.113 0.000 1.080 504 V HN 0.430 nan 8.190 nan 0.000 0.444 505 V N 2.554 122.403 119.914 -0.109 0.000 2.432 505 V HA 0.441 4.562 4.120 0.002 0.000 0.271 505 V C 0.191 176.188 176.094 -0.162 0.000 1.046 505 V CA -0.104 62.130 62.300 -0.109 0.000 0.945 505 V CB 0.823 32.556 31.823 -0.150 0.000 0.992 505 V HN 1.052 nan 8.190 nan 0.000 0.471 506 K N 4.237 124.568 120.400 -0.115 0.000 2.259 506 K HA 0.828 5.149 4.320 0.002 0.000 0.252 506 K C -0.694 175.818 176.600 -0.147 0.000 0.936 506 K CA -0.559 55.619 56.287 -0.183 0.000 0.810 506 K CB 1.890 34.267 32.500 -0.205 0.000 1.143 506 K HN 0.728 nan 8.250 nan 0.000 0.427 507 A N 4.003 126.690 122.820 -0.222 0.000 2.318 507 A HA 0.570 4.892 4.320 0.002 0.000 0.317 507 A C -1.391 176.042 177.584 -0.251 0.000 1.159 507 A CA -0.700 51.255 52.037 -0.138 0.000 0.799 507 A CB 0.243 19.175 19.000 -0.113 0.000 1.194 507 A HN 0.648 nan 8.150 nan 0.000 0.479 508 F N 2.043 121.945 119.950 -0.079 0.000 2.420 508 F HA 0.458 4.986 4.527 0.002 0.000 0.352 508 F C 0.245 176.018 175.800 -0.045 0.000 1.108 508 F CA 0.022 57.979 58.000 -0.072 0.000 1.162 508 F CB 1.724 40.703 39.000 -0.036 0.000 1.118 508 F HN 0.253 nan 8.300 nan 0.000 0.510 509 V N 5.006 124.975 119.914 0.092 0.000 2.444 509 V HA 0.319 4.440 4.120 0.002 0.000 0.294 509 V C -0.478 175.750 176.094 0.223 0.000 1.022 509 V CA -0.901 61.483 62.300 0.140 0.000 0.850 509 V CB 1.804 33.714 31.823 0.144 0.000 0.992 509 V HN 0.410 nan 8.190 nan 0.000 0.426 510 V N 6.851 126.854 119.914 0.148 0.000 2.368 510 V HA 0.337 4.459 4.120 0.002 0.000 0.266 510 V C 0.239 176.379 176.094 0.076 0.000 1.045 510 V CA -0.236 62.133 62.300 0.116 0.000 0.899 510 V CB 1.043 32.912 31.823 0.076 0.000 1.006 510 V HN 0.613 nan 8.190 nan 0.000 0.470 511 L N 4.130 125.388 121.223 0.059 0.000 2.436 511 L HA 0.541 4.883 4.340 0.002 0.000 0.265 511 L C 0.997 177.876 176.870 0.015 0.000 1.168 511 L CA -0.189 54.642 54.840 -0.016 0.000 0.815 511 L CB 0.829 42.827 42.059 -0.100 0.000 1.109 511 L HN 0.707 nan 8.230 nan 0.000 0.462 512 A N 1.358 124.196 122.820 0.030 0.000 2.445 512 A HA 0.174 4.496 4.320 0.002 0.000 0.242 512 A C 1.317 178.959 177.584 0.096 0.000 1.075 512 A CA 0.279 52.365 52.037 0.082 0.000 0.777 512 A CB 0.407 19.490 19.000 0.139 0.000 1.013 512 A HN 0.945 nan 8.150 nan 0.000 0.493 513 S N 1.403 117.140 115.700 0.061 0.000 2.374 513 S HA -0.300 4.171 4.470 0.002 0.000 0.227 513 S C 1.435 176.054 174.600 0.032 0.000 1.037 513 S CA 2.019 60.242 58.200 0.038 0.000 1.024 513 S CB -0.588 62.626 63.200 0.023 0.000 0.861 513 S HN 0.758 nan 8.310 nan 0.000 0.456 514 Q N 0.161 119.980 119.800 0.032 0.000 2.364 514 Q HA 0.185 4.527 4.340 0.002 0.000 0.209 514 Q C 1.194 177.090 176.000 -0.173 0.000 0.977 514 Q CA 1.187 56.953 55.803 -0.061 0.000 0.885 514 Q CB -0.536 28.146 28.738 -0.093 0.000 0.941 514 Q HN 0.755 nan 8.270 nan 0.000 0.464 515 F N -1.096 118.786 119.950 -0.112 0.000 2.727 515 F HA 0.182 4.710 4.527 0.003 0.000 0.302 515 F C 1.262 176.968 175.800 -0.157 0.000 1.097 515 F CA -0.074 57.776 58.000 -0.250 0.000 1.330 515 F CB 0.262 39.030 39.000 -0.387 0.000 1.084 515 F HN 0.011 nan 8.300 nan 0.000 0.578 516 L N -0.427 120.817 121.223 0.035 0.000 2.131 516 L HA -0.191 4.150 4.340 0.002 0.000 0.210 516 L C 1.969 178.846 176.870 0.011 0.000 1.092 516 L CA 1.616 56.455 54.840 -0.002 0.000 0.759 516 L CB -0.515 41.546 42.059 0.004 0.000 0.903 516 L HN 0.185 nan 8.230 nan 0.000 0.435 517 S N -2.787 112.941 115.700 0.047 0.000 2.573 517 S HA 0.112 4.584 4.470 0.002 0.000 0.244 517 S C 0.445 175.084 174.600 0.065 0.000 0.984 517 S CA -0.656 57.567 58.200 0.038 0.000 1.001 517 S CB -0.506 62.697 63.200 0.006 0.000 0.788 517 S HN 0.301 nan 8.310 nan 0.000 0.456 518 H N 2.048 121.086 119.070 -0.052 0.000 2.732 518 H HA 0.097 4.655 4.556 0.002 0.000 0.351 518 H C -0.154 175.158 175.328 -0.027 0.000 1.090 518 H CA -0.179 55.852 56.048 -0.027 0.000 1.431 518 H CB 0.601 30.382 29.762 0.031 0.000 1.447 518 H HN 0.335 nan 8.280 nan 0.000 0.582 519 D N 3.890 124.323 120.400 0.056 0.000 2.520 519 D HA -0.043 4.599 4.640 0.002 0.000 0.243 519 D C -1.607 174.754 176.300 0.101 0.000 1.160 519 D CA -1.399 52.635 54.000 0.057 0.000 0.877 519 D CB 0.933 41.754 40.800 0.035 0.000 1.150 519 D HN 0.286 nan 8.370 nan 0.000 0.494 520 P HA -0.131 nan 4.420 nan 0.000 0.219 520 P C 0.727 178.174 177.300 0.245 0.000 1.146 520 P CA 1.177 64.418 63.100 0.235 0.000 0.808 520 P CB 0.286 32.138 31.700 0.254 0.000 0.779 521 E N -0.897 119.387 120.200 0.140 0.000 2.033 521 E HA -0.131 4.220 4.350 0.002 0.000 0.189 521 E C 2.353 179.014 176.600 0.101 0.000 0.979 521 E CA 0.787 57.248 56.400 0.102 0.000 0.802 521 E CB -0.551 29.187 29.700 0.063 0.000 0.763 521 E HN 0.053 nan 8.360 nan 0.000 0.449 522 Q N 0.306 120.162 119.800 0.093 0.000 2.096 522 Q HA -0.164 4.177 4.340 0.002 0.000 0.204 522 Q C 2.231 178.306 176.000 0.126 0.000 0.982 522 Q CA 1.299 57.157 55.803 0.093 0.000 0.850 522 Q CB -0.501 28.284 28.738 0.077 0.000 0.901 522 Q HN 0.290 nan 8.270 nan 0.000 0.422 523 L N -0.002 121.320 121.223 0.165 0.000 2.240 523 L HA -0.012 4.330 4.340 0.002 0.000 0.211 523 L C 2.172 179.149 176.870 0.179 0.000 1.106 523 L CA 1.996 56.934 54.840 0.163 0.000 0.793 523 L CB -0.803 41.322 42.059 0.110 0.000 0.927 523 L HN 0.287 nan 8.230 nan 0.000 0.446 524 T N -0.660 114.030 114.554 0.227 0.000 2.674 524 T HA -0.190 4.161 4.350 0.002 0.000 0.265 524 T C 2.038 176.780 174.700 0.071 0.000 1.039 524 T CA 1.776 63.961 62.100 0.141 0.000 1.150 524 T CB -0.087 68.824 68.868 0.073 0.000 0.864 524 T HN 0.224 nan 8.240 nan 0.000 0.427 525 K N 0.972 121.413 120.400 0.068 0.000 2.097 525 K HA -0.066 4.256 4.320 0.002 0.000 0.206 525 K C 2.285 178.906 176.600 0.035 0.000 1.049 525 K CA 1.278 57.592 56.287 0.045 0.000 0.933 525 K CB -0.413 32.111 32.500 0.041 0.000 0.717 525 K HN 0.642 nan 8.250 nan 0.000 0.442 526 E N 0.299 120.525 120.200 0.043 0.000 2.072 526 E HA -0.073 4.279 4.350 0.002 0.000 0.190 526 E C 2.070 178.662 176.600 -0.013 0.000 0.982 526 E CA 0.986 57.408 56.400 0.036 0.000 0.803 526 E CB -0.055 29.683 29.700 0.064 0.000 0.755 526 E HN 0.338 nan 8.360 nan 0.000 0.453 527 L N 0.585 121.755 121.223 -0.088 0.000 2.083 527 L HA -0.199 4.142 4.340 0.002 0.000 0.209 527 L C 2.673 179.562 176.870 0.032 0.000 1.083 527 L CA 1.156 55.920 54.840 -0.127 0.000 0.752 527 L CB -0.354 41.620 42.059 -0.142 0.000 0.899 527 L HN 0.215 nan 8.230 nan 0.000 0.433 528 Q N -0.339 119.488 119.800 0.044 0.000 2.046 528 Q HA -0.241 4.100 4.340 0.002 0.000 0.200 528 Q C 2.606 178.591 176.000 -0.025 0.000 0.975 528 Q CA 1.966 57.819 55.803 0.083 0.000 0.836 528 Q CB -0.330 28.486 28.738 0.129 0.000 0.896 528 Q HN 0.648 nan 8.270 nan 0.000 0.428 529 Q N 0.647 120.429 119.800 -0.030 0.000 2.181 529 Q HA -0.245 4.097 4.340 0.002 0.000 0.205 529 Q C 1.555 177.551 176.000 -0.006 0.000 0.980 529 Q CA 2.147 57.918 55.803 -0.052 0.000 0.862 529 Q CB -1.051 27.680 28.738 -0.012 0.000 0.905 529 Q HN 0.698 nan 8.270 nan 0.000 0.429 530 H N -0.802 118.252 119.070 -0.026 0.000 2.395 530 H HA 0.036 4.593 4.556 0.002 0.000 0.299 530 H C 1.892 177.212 175.328 -0.013 0.000 1.070 530 H CA 1.555 57.610 56.048 0.012 0.000 1.356 530 H CB 0.125 29.941 29.762 0.089 0.000 1.401 530 H HN 0.264 nan 8.280 nan 0.000 0.524 531 V N 1.050 120.887 119.914 -0.128 0.000 2.358 531 V HA -0.200 3.921 4.120 0.002 0.000 0.246 531 V C 2.196 178.174 176.094 -0.194 0.000 1.047 531 V CA 2.109 64.303 62.300 -0.176 0.000 1.035 531 V CB -0.397 31.416 31.823 -0.017 0.000 0.658 531 V HN 0.413 nan 8.190 nan 0.000 0.452 532 K N 1.017 121.316 120.400 -0.168 0.000 2.147 532 K HA -0.153 4.168 4.320 0.002 0.000 0.205 532 K C 2.315 178.810 176.600 -0.175 0.000 1.049 532 K CA 1.730 57.898 56.287 -0.198 0.000 0.936 532 K CB -0.324 32.019 32.500 -0.261 0.000 0.722 532 K HN 0.634 nan 8.250 nan 0.000 0.446 533 S N 0.321 115.920 115.700 -0.169 0.000 2.461 533 S HA -0.055 4.416 4.470 0.002 0.000 0.228 533 S C 1.953 176.458 174.600 -0.157 0.000 1.005 533 S CA 0.754 58.872 58.200 -0.136 0.000 0.942 533 S CB -0.146 62.999 63.200 -0.091 0.000 0.776 533 S HN 0.181 nan 8.310 nan 0.000 0.514 534 V N -2.657 117.117 119.914 -0.234 0.000 3.565 534 V HA 0.429 4.550 4.120 0.002 0.000 0.260 534 V C 0.659 176.650 176.094 -0.170 0.000 1.231 534 V CA 0.514 62.691 62.300 -0.206 0.000 1.100 534 V CB -0.199 31.455 31.823 -0.281 0.000 0.807 534 V HN 0.454 nan 8.190 nan 0.000 0.454 535 T N -0.049 114.392 114.554 -0.190 0.000 2.816 535 T HA 0.704 5.055 4.350 0.002 0.000 0.299 535 T C -0.456 174.105 174.700 -0.232 0.000 1.230 535 T CA 0.108 62.091 62.100 -0.195 0.000 1.007 535 T CB 1.577 70.319 68.868 -0.209 0.000 1.289 535 T HN 0.913 nan 8.240 nan 0.000 0.508 536 A N 2.953 125.603 122.820 -0.284 0.000 2.566 536 A HA 0.360 4.682 4.320 0.002 0.000 0.245 536 A C -1.620 175.690 177.584 -0.457 0.000 1.056 536 A CA -0.539 51.295 52.037 -0.338 0.000 0.757 536 A CB -0.357 18.414 19.000 -0.381 0.000 0.979 536 A HN 0.675 nan 8.150 nan 0.000 0.508 537 P HA -0.195 nan 4.420 nan 0.000 0.221 537 P C 0.985 178.200 177.300 -0.141 0.000 1.145 537 P CA 1.671 64.652 63.100 -0.198 0.000 0.795 537 P CB -0.191 31.414 31.700 -0.159 0.000 0.775 538 Y N 1.253 121.407 120.300 -0.244 0.000 2.315 538 Y HA -0.151 4.401 4.550 0.003 0.000 0.288 538 Y C 1.593 177.353 175.900 -0.234 0.000 1.154 538 Y CA 1.002 58.862 58.100 -0.401 0.000 1.229 538 Y CB -1.547 36.234 38.460 -1.132 0.000 0.980 538 Y HN 0.036 nan 8.280 nan 0.000 0.540 539 K N 0.667 120.778 120.400 -0.481 0.000 2.387 539 K HA 0.054 4.375 4.320 0.002 0.000 0.198 539 K C -0.042 176.470 176.600 -0.147 0.000 1.022 539 K CA -0.404 55.716 56.287 -0.278 0.000 1.128 539 K CB -0.757 31.491 32.500 -0.420 0.000 0.853 539 K HN 0.460 nan 8.250 nan 0.000 0.523 540 Y N 2.214 122.386 120.300 -0.213 0.000 2.550 540 Y HA 0.198 4.749 4.550 0.002 0.000 0.343 540 Y C -2.413 173.423 175.900 -0.107 0.000 1.245 540 Y CA -2.429 55.581 58.100 -0.149 0.000 1.462 540 Y CB -0.014 38.365 38.460 -0.136 0.000 1.340 540 Y HN -0.046 nan 8.280 nan 0.000 0.604 541 P HA 0.195 nan 4.420 nan 0.000 0.279 541 P C -0.613 176.393 177.300 -0.490 0.000 1.318 541 P CA -0.134 62.775 63.100 -0.319 0.000 0.819 541 P CB 1.032 32.640 31.700 -0.154 0.000 0.927 542 R N 2.153 122.270 120.500 -0.637 0.000 2.235 542 R HA 0.041 4.382 4.340 0.002 0.000 0.213 542 R C 0.590 176.744 176.300 -0.243 0.000 1.059 542 R CA 0.842 56.645 56.100 -0.497 0.000 0.997 542 R CB 0.027 30.074 30.300 -0.422 0.000 0.884 542 R HN 0.471 nan 8.270 nan 0.000 0.462 543 K N 0.924 121.171 120.400 -0.255 0.000 2.324 543 K HA 0.459 4.780 4.320 0.002 0.000 0.253 543 K C -0.882 175.534 176.600 -0.306 0.000 0.932 543 K CA -0.434 55.703 56.287 -0.250 0.000 0.799 543 K CB 2.490 34.833 32.500 -0.262 0.000 1.154 543 K HN -0.107 nan 8.250 nan 0.000 0.425 544 I N 1.997 122.357 120.570 -0.351 0.000 2.447 544 I HA 0.224 4.395 4.170 0.002 0.000 0.287 544 I C -0.595 175.135 176.117 -0.645 0.000 1.023 544 I CA -0.577 60.420 61.300 -0.505 0.000 1.083 544 I CB 1.997 39.683 38.000 -0.523 0.000 1.245 544 I HN 0.581 nan 8.210 nan 0.000 0.434 545 E N 5.879 125.663 120.200 -0.694 0.000 2.158 545 E HA 0.471 4.822 4.350 0.002 0.000 0.271 545 E C -1.445 174.868 176.600 -0.478 0.000 0.911 545 E CA -0.710 55.343 56.400 -0.578 0.000 0.767 545 E CB 1.297 30.674 29.700 -0.539 0.000 1.120 545 E HN 0.262 nan 8.360 nan 0.000 0.405 546 F N 3.373 123.299 119.950 -0.041 0.000 2.394 546 F HA 0.351 4.880 4.527 0.002 0.000 0.340 546 F C 0.311 176.146 175.800 0.058 0.000 1.105 546 F CA -0.562 57.444 58.000 0.009 0.000 1.124 546 F CB 1.248 40.250 39.000 0.003 0.000 1.145 546 F HN 0.171 nan 8.300 nan 0.000 0.505 547 V N 1.248 121.326 119.914 0.273 0.000 3.114 547 V HA 0.451 4.572 4.120 0.002 0.000 0.308 547 V C -0.092 176.089 176.094 0.144 0.000 1.168 547 V CA -1.057 61.361 62.300 0.197 0.000 1.015 547 V CB 1.867 33.819 31.823 0.215 0.000 1.050 547 V HN 0.755 nan 8.190 nan 0.000 0.433 548 L N 1.021 122.305 121.223 0.101 0.000 2.209 548 L HA 0.301 4.642 4.340 0.002 0.000 0.207 548 L C 1.234 178.136 176.870 0.054 0.000 1.094 548 L CA 1.690 56.572 54.840 0.070 0.000 0.790 548 L CB -0.614 41.477 42.059 0.053 0.000 0.932 548 L HN 1.021 nan 8.230 nan 0.000 0.447 549 N N -0.323 118.407 118.700 0.048 0.000 2.357 549 N HA 0.674 5.416 4.740 0.002 0.000 0.284 549 N C -1.183 174.334 175.510 0.012 0.000 1.236 549 N CA -0.584 52.482 53.050 0.026 0.000 0.774 549 N CB 1.658 40.152 38.487 0.011 0.000 1.534 549 N HN 0.006 nan 8.380 nan 0.000 0.478 550 L N 1.489 122.708 121.223 -0.007 0.000 2.329 550 L HA 0.625 4.966 4.340 0.002 0.000 0.279 550 L C -1.909 174.923 176.870 -0.063 0.000 1.014 550 L CA -1.823 52.988 54.840 -0.049 0.000 0.814 550 L CB 2.449 44.489 42.059 -0.030 0.000 1.257 550 L HN 0.549 nan 8.230 nan 0.000 0.424 551 P HA 0.165 nan 4.420 nan 0.000 0.271 551 P C -1.452 175.809 177.300 -0.065 0.000 1.220 551 P CA -0.232 62.819 63.100 -0.081 0.000 0.768 551 P CB 0.830 32.465 31.700 -0.108 0.000 0.848 552 K N 1.626 122.000 120.400 -0.044 0.000 2.395 552 K HA 0.493 4.814 4.320 0.002 0.000 0.245 552 K C 0.252 176.834 176.600 -0.030 0.000 1.017 552 K CA -0.736 55.530 56.287 -0.035 0.000 0.852 552 K CB 0.641 33.127 32.500 -0.024 0.000 1.311 552 K HN 0.246 nan 8.250 nan 0.000 0.452 553 T N 0.559 115.098 114.554 -0.026 0.000 2.766 553 T HA 0.027 4.378 4.350 0.002 0.000 0.295 553 T C 1.753 176.443 174.700 -0.017 0.000 1.024 553 T CA -0.302 61.785 62.100 -0.022 0.000 1.018 553 T CB 0.513 69.369 68.868 -0.020 0.000 1.002 553 T HN 0.465 nan 8.240 nan 0.000 0.532 554 V N -0.651 119.253 119.914 -0.015 0.000 2.720 554 V HA -0.099 4.022 4.120 0.002 0.000 0.256 554 V C 2.226 178.314 176.094 -0.010 0.000 1.082 554 V CA 1.827 64.119 62.300 -0.012 0.000 1.101 554 V CB -1.869 29.948 31.823 -0.011 0.000 0.693 554 V HN 1.063 nan 8.190 nan 0.000 0.479 555 T N -3.106 111.442 114.554 -0.011 0.000 3.129 555 T HA 0.455 4.806 4.350 0.002 0.000 0.251 555 T C 1.621 176.315 174.700 -0.009 0.000 1.117 555 T CA 0.829 62.924 62.100 -0.009 0.000 1.034 555 T CB 0.196 69.059 68.868 -0.009 0.000 0.968 555 T HN 1.484 nan 8.240 nan 0.000 0.526 556 G N 1.132 109.925 108.800 -0.011 0.000 2.175 556 G HA2 -0.219 3.742 3.960 0.002 0.000 0.244 556 G HA3 -0.219 3.742 3.960 0.002 0.000 0.244 556 G C 0.104 174.997 174.900 -0.012 0.000 0.982 556 G CA -0.158 44.936 45.100 -0.010 0.000 0.641 556 G HN 0.558 nan 8.290 nan 0.000 0.527 557 K N 0.733 121.125 120.400 -0.013 0.000 2.295 557 K HA 0.436 4.757 4.320 0.002 0.000 0.270 557 K C 1.200 177.788 176.600 -0.020 0.000 1.011 557 K CA -0.511 55.767 56.287 -0.014 0.000 0.953 557 K CB 0.468 32.960 32.500 -0.014 0.000 0.956 557 K HN 0.414 nan 8.250 nan 0.000 0.477 558 I N 2.686 123.245 120.570 -0.020 0.000 2.588 558 I HA -0.053 4.119 4.170 0.002 0.000 0.283 558 I C 0.908 177.004 176.117 -0.035 0.000 1.119 558 I CA 0.295 61.578 61.300 -0.028 0.000 1.419 558 I CB 0.304 38.291 38.000 -0.020 0.000 1.394 558 I HN 0.220 nan 8.210 nan 0.000 0.562 559 Q N 6.261 126.030 119.800 -0.051 0.000 2.810 559 Q HA 0.227 4.569 4.340 0.002 0.000 0.236 559 Q C 0.840 176.803 176.000 -0.062 0.000 1.278 559 Q CA -0.241 55.531 55.803 -0.053 0.000 1.065 559 Q CB 0.683 29.386 28.738 -0.059 0.000 1.364 559 Q HN 0.519 nan 8.270 nan 0.000 0.570 560 R N 0.711 121.185 120.500 -0.043 0.000 2.073 560 R HA -0.172 4.169 4.340 0.002 0.000 0.234 560 R C 2.134 178.420 176.300 -0.025 0.000 1.134 560 R CA 1.515 57.597 56.100 -0.030 0.000 0.952 560 R CB -0.180 30.116 30.300 -0.006 0.000 0.850 560 R HN 0.516 nan 8.270 nan 0.000 0.433 561 A N 1.468 124.270 122.820 -0.029 0.000 1.917 561 A HA -0.270 4.052 4.320 0.002 0.000 0.219 561 A C 2.056 179.624 177.584 -0.027 0.000 1.182 561 A CA 1.738 53.757 52.037 -0.031 0.000 0.633 561 A CB -0.467 18.509 19.000 -0.040 0.000 0.819 561 A HN 0.256 nan 8.150 nan 0.000 0.448 562 K N -0.495 119.881 120.400 -0.041 0.000 2.026 562 K HA -0.061 4.260 4.320 0.002 0.000 0.208 562 K C 1.971 178.540 176.600 -0.052 0.000 1.048 562 K CA 1.407 57.666 56.287 -0.046 0.000 0.929 562 K CB -0.312 32.151 32.500 -0.062 0.000 0.713 562 K HN 0.493 nan 8.250 nan 0.000 0.439 563 L N 0.532 121.696 121.223 -0.098 0.000 2.083 563 L HA -0.194 4.148 4.340 0.002 0.000 0.209 563 L C 2.827 179.721 176.870 0.040 0.000 1.083 563 L CA 1.272 56.019 54.840 -0.156 0.000 0.752 563 L CB -0.395 41.456 42.059 -0.346 0.000 0.899 563 L HN 0.288 nan 8.230 nan 0.000 0.433 564 R N 0.254 120.808 120.500 0.089 0.000 2.080 564 R HA -0.197 4.144 4.340 0.002 0.000 0.236 564 R C 1.902 178.357 176.300 0.259 0.000 1.137 564 R CA 2.098 58.324 56.100 0.210 0.000 0.943 564 R CB -0.159 30.202 30.300 0.102 0.000 0.846 564 R HN 0.284 nan 8.270 nan 0.000 0.431 565 D N 0.343 120.814 120.400 0.119 0.000 2.104 565 D HA -0.187 4.455 4.640 0.002 0.000 0.194 565 D C 1.692 178.073 176.300 0.136 0.000 0.994 565 D CA 1.281 55.346 54.000 0.108 0.000 0.830 565 D CB -0.184 40.636 40.800 0.034 0.000 0.959 565 D HN 0.253 nan 8.370 nan 0.000 0.452 566 K N 0.213 120.669 120.400 0.093 0.000 2.097 566 K HA -0.188 4.133 4.320 0.002 0.000 0.206 566 K C 1.932 178.598 176.600 0.111 0.000 1.049 566 K CA 1.096 57.430 56.287 0.078 0.000 0.933 566 K CB 0.071 32.593 32.500 0.036 0.000 0.717 566 K HN -0.083 nan 8.250 nan 0.000 0.442 567 E N -0.499 119.799 120.200 0.163 0.000 2.150 567 E HA -0.141 4.210 4.350 0.002 0.000 0.193 567 E C -0.055 176.541 176.600 -0.006 0.000 0.985 567 E CA 0.998 57.463 56.400 0.108 0.000 0.814 567 E CB 0.024 29.831 29.700 0.179 0.000 0.752 567 E HN 0.264 nan 8.360 nan 0.000 0.466 568 W N 2.334 123.650 121.300 0.027 0.000 2.269 568 W HA 0.344 5.006 4.660 0.003 0.000 0.402 568 W C -0.271 176.252 176.519 0.007 0.000 0.654 568 W CA -0.303 57.050 57.345 0.015 0.000 2.299 568 W CB -0.393 29.073 29.460 0.010 0.000 1.621 568 W HN -0.141 nan 8.180 nan 0.000 0.677 569 K N 0.000 120.474 120.400 0.123 0.000 2.780 569 K HA 0.000 4.321 4.320 0.002 0.000 0.191 569 K CA 0.000 56.334 56.287 0.079 0.000 0.838 569 K CB 0.000 32.547 32.500 0.078 0.000 1.064 569 K HN 0.000 nan 8.250 nan 0.000 0.543