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 1c97_1_A DATA FIRST_RESID 2 DATA SEQUENCE RAKVAMSHFE PHEYIRYDLL EKNIDIVRKR LNRPLTLSEK IVYGHLDDPA DATA SEQUENCE NQEIERGKTY LRLRPDRVAM QDATAQMAML QFISSGLPKV AVPSTIHCDH DATA SEQUENCE LIEAQLGGEK DLRRAKDINQ EVYNFLATAG AKYGVGFWRP GSGIIHQIIL DATA SEQUENCE ENYAYPGVLL IGTDSHTPNG GGLGGICIGV GGADAVDVMA GIPWELKCPK DATA SEQUENCE VIGVKLTGSL SGWTSPKDVI LKVAGILTVK GGTGAIVEYH GPGVDSISCT DATA SEQUENCE GMATICNMGA EIGATTSVFP YNHRMKKYLS KTGRADIANL ADEFKDHLVP DATA SEQUENCE DPGCHYDQVI EINLSELKPH INGPFTPDLA HPVAEVGSVA EKEGWPLDIR DATA SEQUENCE VGLIGSCTNS SYEDMGRSAA VAKQALAHGL KCKSQFTITP GSEQIRATIE DATA SEQUENCE RDGYAQVLRD VGGIVLANAC GPCIGQWDRK DIKKGEKNTI VTSYNRNFTG DATA SEQUENCE RNDANPETHA FVTSPEIVTA LAIAGTLKFN PETDFLTGKD GKKFKLEAPD DATA SEQUENCE ADELPRAEFD PGQDTYQHPP KDSSGQRVDV SPTSQRLQLL EPFDKWDGKD DATA SEQUENCE LEDLQILIKV KGKCTTDHIS AAGPWLKFRG HLDNISNNLL IGAINIENRK DATA SEQUENCE ANSVRNAVTQ EFGPVPDTAR YYKQHGIRWV VIGDENYGEG ASREHSALEP DATA SEQUENCE RHLGGRAIIT KSFARIHETN LKKQGLLPLT FADPADYNKI HPVDKLTIQG DATA SEQUENCE LKDFAPGKPL KCIIKHPNGT QETILLNHTF NETQIEWFRA GSALNRMKEL DATA SEQUENCE QQK 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.283 176.300 -0.028 0.000 0.893 2 R CA 0.000 56.110 56.100 0.017 0.000 0.921 2 R CB 0.000 30.292 30.300 -0.014 0.000 0.687 3 A N 2.860 125.680 122.820 -0.001 0.000 2.407 3 A HA 0.322 4.642 4.320 0.000 0.000 0.248 3 A C -0.171 177.283 177.584 -0.217 0.000 1.082 3 A CA 0.072 52.073 52.037 -0.060 0.000 0.785 3 A CB 0.383 19.400 19.000 0.028 0.000 1.020 3 A HN 0.396 nan 8.150 nan 0.000 0.489 4 K N 2.465 122.655 120.400 -0.351 0.000 2.533 4 K HA 0.387 4.707 4.320 0.000 0.000 0.207 4 K C -1.333 175.004 176.600 -0.437 0.000 1.052 4 K CA -0.144 55.654 56.287 -0.816 0.000 1.030 4 K CB 0.877 32.826 32.500 -0.918 0.000 1.522 4 K HN 0.349 nan 8.250 nan 0.000 0.543 5 V N 1.668 121.480 119.914 -0.170 0.000 2.378 5 V HA 0.426 4.547 4.120 0.000 0.000 0.288 5 V C 0.237 176.394 176.094 0.105 0.000 1.016 5 V CA -1.228 61.052 62.300 -0.032 0.000 0.840 5 V CB 1.512 33.270 31.823 -0.107 0.000 0.994 5 V HN 0.619 nan 8.190 nan 0.000 0.431 6 A N 5.012 127.927 122.820 0.158 0.000 2.388 6 A HA 0.492 4.812 4.320 0.000 0.000 0.257 6 A C 1.250 178.806 177.584 -0.046 0.000 1.095 6 A CA -0.246 51.841 52.037 0.083 0.000 0.791 6 A CB 0.302 19.340 19.000 0.062 0.000 1.029 6 A HN 0.910 nan 8.150 nan 0.000 0.489 7 M N 1.293 120.853 119.600 -0.067 0.000 2.144 7 M HA -0.144 4.336 4.480 0.000 0.000 0.260 7 M C 1.012 177.378 176.300 0.110 0.000 1.067 7 M CA 2.106 57.400 55.300 -0.010 0.000 1.095 7 M CB -0.329 32.358 32.600 0.145 0.000 1.365 7 M HN 0.957 nan 8.290 nan 0.000 0.406 8 S N -2.750 113.018 115.700 0.113 0.000 2.656 8 S HA 0.259 4.729 4.470 0.000 0.000 0.273 8 S C -0.075 174.515 174.600 -0.016 0.000 1.168 8 S CA -1.002 57.233 58.200 0.058 0.000 0.817 8 S CB 0.447 63.800 63.200 0.254 0.000 1.146 8 S HN 0.390 nan 8.310 nan 0.000 0.475 9 H N -0.340 118.440 119.070 -0.484 0.000 2.556 9 H HA 0.213 4.770 4.556 0.000 0.000 0.268 9 H C -0.020 174.760 175.328 -0.913 0.000 0.996 9 H CA 0.642 56.271 56.048 -0.697 0.000 1.157 9 H CB -0.201 29.068 29.762 -0.822 0.000 1.355 9 H HN 0.522 nan 8.280 nan 0.000 0.597 10 F N -0.043 119.931 119.950 0.041 0.000 2.704 10 F HA 0.205 4.732 4.527 0.000 0.000 0.304 10 F C 0.177 176.079 175.800 0.170 0.000 1.094 10 F CA -0.098 57.915 58.000 0.022 0.000 1.275 10 F CB 0.674 39.637 39.000 -0.060 0.000 1.073 10 F HN -0.071 nan 8.300 nan 0.000 0.586 11 E N 1.328 121.679 120.200 0.251 0.000 3.374 11 E HA 0.178 4.528 4.350 0.000 0.000 0.223 11 E C -1.933 174.715 176.600 0.079 0.000 1.210 11 E CA -1.556 54.981 56.400 0.228 0.000 0.987 11 E CB 0.826 30.588 29.700 0.103 0.000 1.322 11 E HN -0.071 nan 8.360 nan 0.000 0.404 12 P HA -0.230 nan 4.420 nan 0.000 0.218 12 P C 0.858 178.156 177.300 -0.003 0.000 1.148 12 P CA 1.450 64.596 63.100 0.077 0.000 0.822 12 P CB 0.008 31.741 31.700 0.056 0.000 0.784 13 H N -2.574 116.360 119.070 -0.226 0.000 2.551 13 H HA 0.250 4.806 4.556 0.000 0.000 0.266 13 H C 0.363 175.258 175.328 -0.721 0.000 0.977 13 H CA -0.109 55.690 56.048 -0.415 0.000 1.163 13 H CB -0.219 29.437 29.762 -0.177 0.000 1.381 13 H HN -0.051 nan 8.280 nan 0.000 0.581 14 E N 1.728 121.376 120.200 -0.920 0.000 2.073 14 E HA 0.131 4.481 4.350 0.000 0.000 0.269 14 E C -1.211 175.085 176.600 -0.507 0.000 0.917 14 E CA -0.613 55.375 56.400 -0.686 0.000 0.757 14 E CB 0.732 30.129 29.700 -0.505 0.000 1.111 14 E HN 0.372 nan 8.360 nan 0.000 0.410 15 Y N 1.254 121.489 120.300 -0.108 0.000 2.352 15 Y HA 0.340 4.890 4.550 0.000 0.000 0.326 15 Y C 1.164 176.964 175.900 -0.167 0.000 1.166 15 Y CA -1.066 56.955 58.100 -0.132 0.000 1.182 15 Y CB 0.682 39.080 38.460 -0.104 0.000 1.216 15 Y HN 0.330 nan 8.280 nan 0.000 0.474 16 I N 4.211 124.706 120.570 -0.124 0.000 2.683 16 I HA 0.014 4.184 4.170 0.000 0.000 0.286 16 I C 0.501 176.443 176.117 -0.293 0.000 1.175 16 I CA 0.194 61.273 61.300 -0.367 0.000 1.429 16 I CB 0.299 37.807 38.000 -0.820 0.000 1.371 16 I HN 0.370 nan 8.210 nan 0.000 0.569 17 R N 6.513 126.891 120.500 -0.203 0.000 3.752 17 R HA 0.140 4.480 4.340 0.000 0.000 0.291 17 R C 0.066 176.279 176.300 -0.144 0.000 1.433 17 R CA -0.356 55.666 56.100 -0.131 0.000 1.518 17 R CB -0.195 30.086 30.300 -0.033 0.000 1.413 17 R HN 0.572 nan 8.270 nan 0.000 0.676 18 Y N 0.803 120.878 120.300 -0.376 0.000 2.439 18 Y HA -0.149 4.401 4.550 0.000 0.000 0.292 18 Y C 1.868 177.411 175.900 -0.595 0.000 1.130 18 Y CA 0.513 58.217 58.100 -0.659 0.000 1.254 18 Y CB -0.024 37.598 38.460 -1.397 0.000 1.000 18 Y HN 0.344 nan 8.280 nan 0.000 0.554 19 D N -0.142 120.142 120.400 -0.193 0.000 2.104 19 D HA -0.201 4.439 4.640 0.000 0.000 0.194 19 D C 2.160 178.465 176.300 0.008 0.000 0.994 19 D CA 0.959 54.978 54.000 0.031 0.000 0.830 19 D CB -0.818 40.027 40.800 0.075 0.000 0.959 19 D HN 0.260 nan 8.370 nan 0.000 0.452 20 L N 0.290 121.496 121.223 -0.029 0.000 2.012 20 L HA -0.075 4.266 4.340 0.000 0.000 0.210 20 L C 2.432 179.257 176.870 -0.076 0.000 1.073 20 L CA 1.245 56.063 54.840 -0.037 0.000 0.748 20 L CB -1.084 40.951 42.059 -0.041 0.000 0.891 20 L HN 0.095 nan 8.230 nan 0.000 0.431 21 L N 0.046 121.195 121.223 -0.123 0.000 1.970 21 L HA -0.262 4.079 4.340 0.000 0.000 0.212 21 L C 2.617 179.381 176.870 -0.176 0.000 1.071 21 L CA 2.428 57.169 54.840 -0.165 0.000 0.751 21 L CB -0.924 41.052 42.059 -0.139 0.000 0.889 21 L HN 0.597 nan 8.230 nan 0.000 0.432 22 E N -0.464 119.600 120.200 -0.228 0.000 2.085 22 E HA -0.337 4.013 4.350 0.000 0.000 0.194 22 E C 2.304 178.830 176.600 -0.122 0.000 0.994 22 E CA 1.748 57.942 56.400 -0.344 0.000 0.801 22 E CB -0.270 29.354 29.700 -0.128 0.000 0.743 22 E HN 0.536 nan 8.360 nan 0.000 0.453 23 K N 0.081 120.460 120.400 -0.035 0.000 2.044 23 K HA -0.204 4.116 4.320 0.000 0.000 0.210 23 K C 1.894 178.492 176.600 -0.004 0.000 1.049 23 K CA 1.859 58.147 56.287 0.001 0.000 0.927 23 K CB -0.060 32.448 32.500 0.014 0.000 0.713 23 K HN 0.148 nan 8.250 nan 0.000 0.443 24 N N 0.791 119.480 118.700 -0.017 0.000 2.216 24 N HA -0.079 4.661 4.740 0.000 0.000 0.183 24 N C 1.914 177.437 175.510 0.021 0.000 1.017 24 N CA 1.053 54.108 53.050 0.007 0.000 0.861 24 N CB -0.184 38.310 38.487 0.012 0.000 0.986 24 N HN 0.254 nan 8.380 nan 0.000 0.428 25 I N 1.390 121.954 120.570 -0.009 0.000 2.163 25 I HA -0.258 3.912 4.170 0.000 0.000 0.243 25 I C 1.342 177.486 176.117 0.045 0.000 1.085 25 I CA 1.321 62.634 61.300 0.022 0.000 1.347 25 I CB -0.216 37.756 38.000 -0.048 0.000 1.044 25 I HN 0.018 nan 8.210 nan 0.000 0.408 26 D N 0.748 121.164 120.400 0.026 0.000 2.183 26 D HA -0.057 4.584 4.640 0.000 0.000 0.203 26 D C 2.263 178.588 176.300 0.041 0.000 0.969 26 D CA 1.035 55.066 54.000 0.050 0.000 0.842 26 D CB -0.082 40.752 40.800 0.057 0.000 0.957 26 D HN 0.350 nan 8.370 nan 0.000 0.484 27 I N 0.542 121.132 120.570 0.033 0.000 2.163 27 I HA -0.248 3.922 4.170 0.000 0.000 0.243 27 I C 2.437 178.570 176.117 0.027 0.000 1.085 27 I CA 0.765 62.081 61.300 0.027 0.000 1.347 27 I CB -0.137 37.877 38.000 0.023 0.000 1.044 27 I HN -0.116 nan 8.210 nan 0.000 0.408 28 V N 0.710 120.648 119.914 0.040 0.000 2.307 28 V HA -0.264 3.856 4.120 0.000 0.000 0.245 28 V C 2.622 178.743 176.094 0.044 0.000 1.045 28 V CA 1.864 64.186 62.300 0.037 0.000 1.024 28 V CB -0.760 31.117 31.823 0.091 0.000 0.651 28 V HN 0.420 nan 8.190 nan 0.000 0.449 29 R N 0.228 120.768 120.500 0.067 0.000 2.120 29 R HA -0.156 4.185 4.340 0.000 0.000 0.234 29 R C 2.156 178.479 176.300 0.038 0.000 1.123 29 R CA 1.153 57.290 56.100 0.063 0.000 0.975 29 R CB -0.084 30.262 30.300 0.076 0.000 0.866 29 R HN 0.332 nan 8.270 nan 0.000 0.446 30 K N 0.535 120.954 120.400 0.031 0.000 2.362 30 K HA -0.094 4.226 4.320 0.000 0.000 0.200 30 K C 1.963 178.569 176.600 0.010 0.000 1.046 30 K CA 0.991 57.290 56.287 0.020 0.000 0.952 30 K CB -0.050 32.462 32.500 0.019 0.000 0.753 30 K HN 0.339 nan 8.250 nan 0.000 0.466 31 R N -0.079 120.424 120.500 0.005 0.000 2.140 31 R HA 0.192 4.532 4.340 0.000 0.000 0.213 31 R C 2.238 178.531 176.300 -0.012 0.000 1.059 31 R CA 0.365 56.459 56.100 -0.009 0.000 1.000 31 R CB -0.015 30.271 30.300 -0.023 0.000 0.910 31 R HN 0.047 nan 8.270 nan 0.000 0.455 32 L N 0.346 121.567 121.223 -0.003 0.000 2.307 32 L HA 0.092 4.432 4.340 0.000 0.000 0.211 32 L C -0.010 176.863 176.870 0.006 0.000 1.099 32 L CA 0.034 54.874 54.840 -0.001 0.000 0.816 32 L CB -0.203 41.867 42.059 0.018 0.000 0.952 32 L HN 0.212 nan 8.230 nan 0.000 0.455 33 N N 1.923 120.631 118.700 0.013 0.000 2.725 33 N HA -0.195 4.545 4.740 0.000 0.000 0.251 33 N C -0.308 175.206 175.510 0.007 0.000 1.031 33 N CA 0.972 54.027 53.050 0.009 0.000 0.720 33 N CB -0.733 37.755 38.487 0.001 0.000 0.930 33 N HN 0.614 nan 8.380 nan 0.000 0.543 34 R N -2.709 117.800 120.500 0.015 0.000 2.716 34 R HA 0.635 4.975 4.340 0.000 0.000 0.271 34 R C -3.252 173.058 176.300 0.016 0.000 1.028 34 R CA -1.537 54.568 56.100 0.008 0.000 0.883 34 R CB 0.633 30.936 30.300 0.006 0.000 1.250 34 R HN -0.248 nan 8.270 nan 0.000 0.465 35 P HA 0.086 nan 4.420 nan 0.000 0.266 35 P C -0.847 176.447 177.300 -0.010 0.000 1.195 35 P CA -0.063 63.029 63.100 -0.014 0.000 0.768 35 P CB 0.453 32.126 31.700 -0.045 0.000 0.838 36 L N 1.905 123.124 121.223 -0.007 0.000 2.334 36 L HA 0.446 4.786 4.340 0.000 0.000 0.276 36 L C 1.222 178.055 176.870 -0.063 0.000 1.014 36 L CA -0.824 54.013 54.840 -0.006 0.000 0.815 36 L CB 1.700 43.779 42.059 0.034 0.000 1.268 36 L HN 0.400 nan 8.230 nan 0.000 0.428 37 T N -1.051 113.446 114.554 -0.096 0.000 2.754 37 T HA 0.127 4.477 4.350 0.000 0.000 0.286 37 T C 0.916 175.594 174.700 -0.036 0.000 0.997 37 T CA -0.518 61.525 62.100 -0.094 0.000 0.982 37 T CB 1.022 69.855 68.868 -0.060 0.000 1.027 37 T HN 0.484 nan 8.240 nan 0.000 0.529 38 L N 1.420 122.657 121.223 0.023 0.000 2.027 38 L HA -0.003 4.338 4.340 0.000 0.000 0.206 38 L C 2.794 179.670 176.870 0.011 0.000 1.074 38 L CA 2.578 57.442 54.840 0.041 0.000 0.745 38 L CB -1.344 40.766 42.059 0.086 0.000 0.898 38 L HN 0.955 nan 8.230 nan 0.000 0.433 39 S N -1.158 114.542 115.700 0.000 0.000 2.382 39 S HA -0.217 4.253 4.470 0.000 0.000 0.228 39 S C 1.778 176.281 174.600 -0.162 0.000 1.027 39 S CA 1.290 59.469 58.200 -0.034 0.000 0.991 39 S CB -0.858 62.330 63.200 -0.020 0.000 0.823 39 S HN 0.644 nan 8.310 nan 0.000 0.469 40 E N 1.558 121.585 120.200 -0.289 0.000 2.153 40 E HA -0.120 4.231 4.350 0.000 0.000 0.194 40 E C 2.157 178.441 176.600 -0.527 0.000 0.988 40 E CA 1.110 57.077 56.400 -0.722 0.000 0.811 40 E CB -0.150 29.187 29.700 -0.605 0.000 0.746 40 E HN 0.616 nan 8.360 nan 0.000 0.466 41 K N 0.558 120.852 120.400 -0.176 0.000 2.025 41 K HA -0.094 4.226 4.320 0.000 0.000 0.207 41 K C 2.151 178.756 176.600 0.010 0.000 1.049 41 K CA 1.100 57.369 56.287 -0.031 0.000 0.933 41 K CB -0.081 32.444 32.500 0.042 0.000 0.714 41 K HN 0.089 nan 8.250 nan 0.000 0.438 42 I N 0.513 121.103 120.570 0.034 0.000 2.315 42 I HA -0.237 3.933 4.170 0.000 0.000 0.248 42 I C 2.163 178.411 176.117 0.219 0.000 1.117 42 I CA 0.866 62.253 61.300 0.145 0.000 1.404 42 I CB -0.170 37.909 38.000 0.131 0.000 1.071 42 I HN -0.056 nan 8.210 nan 0.000 0.419 43 V N 0.124 120.080 119.914 0.070 0.000 2.283 43 V HA -0.267 3.854 4.120 0.000 0.000 0.243 43 V C 2.172 178.407 176.094 0.235 0.000 1.039 43 V CA 1.813 64.182 62.300 0.115 0.000 1.016 43 V CB -0.725 31.092 31.823 -0.009 0.000 0.650 43 V HN 0.353 nan 8.190 nan 0.000 0.449 44 Y N 0.683 121.049 120.300 0.111 0.000 2.373 44 Y HA -0.048 4.502 4.550 0.000 0.000 0.293 44 Y C 2.518 178.465 175.900 0.078 0.000 1.129 44 Y CA 0.363 58.513 58.100 0.082 0.000 1.226 44 Y CB -0.492 37.999 38.460 0.052 0.000 1.000 44 Y HN 0.376 nan 8.280 nan 0.000 0.549 45 G N -1.054 107.859 108.800 0.188 0.000 2.625 45 G HA2 -0.199 3.761 3.960 0.000 0.000 0.214 45 G HA3 -0.199 3.761 3.960 0.000 0.000 0.214 45 G C 0.482 175.396 174.900 0.024 0.000 1.132 45 G CA 0.631 45.771 45.100 0.066 0.000 0.782 45 G HN 0.489 nan 8.290 nan 0.000 0.538 46 H N -0.925 118.216 119.070 0.120 0.000 2.528 46 H HA 0.382 4.938 4.556 0.000 0.000 0.282 46 H C 0.464 175.871 175.328 0.132 0.000 1.097 46 H CA -0.602 55.518 56.048 0.120 0.000 1.121 46 H CB 0.347 30.186 29.762 0.129 0.000 1.590 46 H HN 0.122 nan 8.280 nan 0.000 0.553 47 L N 0.760 122.112 121.223 0.215 0.000 2.416 47 L HA -0.004 4.336 4.340 0.000 0.000 0.272 47 L C 1.452 178.393 176.870 0.119 0.000 1.161 47 L CA 0.123 55.060 54.840 0.160 0.000 0.845 47 L CB 0.843 42.975 42.059 0.121 0.000 1.119 47 L HN 0.285 nan 8.230 nan 0.000 0.464 48 D N 0.912 121.377 120.400 0.110 0.000 2.178 48 D HA -0.173 4.467 4.640 0.000 0.000 0.202 48 D C 0.415 176.751 176.300 0.061 0.000 0.974 48 D CA 1.140 55.192 54.000 0.088 0.000 0.841 48 D CB 0.315 41.168 40.800 0.089 0.000 0.953 48 D HN 0.477 nan 8.370 nan 0.000 0.478 49 D N -1.139 119.290 120.400 0.049 0.000 2.443 49 D HA 0.158 4.798 4.640 0.000 0.000 0.281 49 D C -1.999 174.313 176.300 0.021 0.000 1.210 49 D CA -1.792 52.227 54.000 0.031 0.000 0.875 49 D CB 1.292 42.106 40.800 0.023 0.000 1.125 49 D HN 0.032 nan 8.370 nan 0.000 0.503 50 P HA -0.018 nan 4.420 nan 0.000 0.223 50 P C 1.088 178.386 177.300 -0.002 0.000 1.151 50 P CA 0.390 63.499 63.100 0.015 0.000 0.787 50 P CB 0.433 32.155 31.700 0.035 0.000 0.788 51 A N 0.320 123.142 122.820 0.003 0.000 2.016 51 A HA -0.054 4.266 4.320 0.000 0.000 0.217 51 A C 1.955 179.532 177.584 -0.011 0.000 1.162 51 A CA 1.148 53.184 52.037 -0.002 0.000 0.662 51 A CB -0.596 18.407 19.000 0.005 0.000 0.812 51 A HN 0.157 nan 8.150 nan 0.000 0.450 52 N N -1.296 117.396 118.700 -0.012 0.000 2.166 52 N HA 0.049 4.789 4.740 0.000 0.000 0.213 52 N C 0.282 175.775 175.510 -0.028 0.000 1.222 52 N CA -0.042 52.997 53.050 -0.018 0.000 0.900 52 N CB 0.162 38.643 38.487 -0.009 0.000 1.055 52 N HN 0.489 nan 8.380 nan 0.000 0.515 53 Q N 2.143 121.923 119.800 -0.033 0.000 2.269 53 Q HA -0.042 4.298 4.340 0.000 0.000 0.300 53 Q C -0.632 175.321 176.000 -0.078 0.000 1.070 53 Q CA 0.581 56.355 55.803 -0.048 0.000 0.957 53 Q CB 0.368 29.074 28.738 -0.053 0.000 1.131 53 Q HN -0.089 nan 8.270 nan 0.000 0.377 54 E N 3.763 123.920 120.200 -0.072 0.000 2.257 54 E HA 0.279 4.629 4.350 0.000 0.000 0.278 54 E C -0.856 175.670 176.600 -0.125 0.000 1.049 54 E CA 0.188 56.537 56.400 -0.085 0.000 0.876 54 E CB 0.351 30.013 29.700 -0.064 0.000 1.035 54 E HN 0.574 nan 8.360 nan 0.000 0.419 55 I N 3.653 124.122 120.570 -0.169 0.000 2.382 55 I HA 0.326 4.497 4.170 0.000 0.000 0.285 55 I C -0.201 175.814 176.117 -0.169 0.000 1.007 55 I CA -0.376 60.770 61.300 -0.257 0.000 1.142 55 I CB 1.210 38.925 38.000 -0.476 0.000 1.289 55 I HN 0.379 nan 8.210 nan 0.000 0.453 56 E N 6.189 126.319 120.200 -0.117 0.000 2.307 56 E HA 0.343 4.693 4.350 0.000 0.000 0.280 56 E C -1.005 175.573 176.600 -0.037 0.000 0.900 56 E CA -0.814 55.548 56.400 -0.064 0.000 0.790 56 E CB 1.606 31.265 29.700 -0.068 0.000 1.261 56 E HN 0.457 nan 8.360 nan 0.000 0.405 57 R N 1.977 122.484 120.500 0.012 0.000 2.449 57 R HA 0.262 4.603 4.340 0.000 0.000 0.296 57 R C 0.854 177.149 176.300 -0.009 0.000 1.047 57 R CA 1.163 57.282 56.100 0.032 0.000 1.018 57 R CB 0.561 30.904 30.300 0.071 0.000 0.962 57 R HN 0.892 nan 8.270 nan 0.000 0.428 58 G N 2.534 111.314 108.800 -0.034 0.000 2.184 58 G HA2 -0.352 3.608 3.960 0.000 0.000 0.264 58 G HA3 -0.352 3.608 3.960 0.000 0.000 0.264 58 G C 0.681 175.512 174.900 -0.115 0.000 0.975 58 G CA 0.767 45.829 45.100 -0.063 0.000 0.642 58 G HN 0.623 nan 8.290 nan 0.000 0.536 59 K N -0.686 119.633 120.400 -0.135 0.000 2.462 59 K HA 0.224 4.544 4.320 0.000 0.000 0.201 59 K C 1.206 177.657 176.600 -0.248 0.000 1.268 59 K CA 0.974 57.159 56.287 -0.170 0.000 0.933 59 K CB 0.672 33.107 32.500 -0.109 0.000 1.162 59 K HN 0.495 nan 8.250 nan 0.000 0.527 60 T N -1.818 112.599 114.554 -0.229 0.000 2.945 60 T HA 0.383 4.733 4.350 0.000 0.000 0.286 60 T C -0.522 173.999 174.700 -0.298 0.000 1.025 60 T CA -0.644 61.320 62.100 -0.227 0.000 1.039 60 T CB 0.876 69.666 68.868 -0.128 0.000 1.068 60 T HN -0.027 nan 8.240 nan 0.000 0.497 61 Y N 1.294 121.531 120.300 -0.105 0.000 2.454 61 Y HA 0.398 4.948 4.550 0.000 0.000 0.345 61 Y C 0.340 176.169 175.900 -0.119 0.000 0.970 61 Y CA -1.052 56.969 58.100 -0.132 0.000 1.204 61 Y CB 0.590 38.955 38.460 -0.159 0.000 1.122 61 Y HN 0.401 nan 8.280 nan 0.000 0.514 62 L N 5.212 126.446 121.223 0.018 0.000 2.418 62 L HA 0.282 4.622 4.340 0.000 0.000 0.274 62 L C 0.193 177.052 176.870 -0.019 0.000 1.135 62 L CA -0.183 54.658 54.840 0.002 0.000 0.870 62 L CB 0.305 42.382 42.059 0.030 0.000 1.154 62 L HN 0.494 nan 8.230 nan 0.000 0.462 63 R N 4.065 124.572 120.500 0.013 0.000 2.242 63 R HA 0.521 4.862 4.340 0.000 0.000 0.334 63 R C -0.720 175.634 176.300 0.090 0.000 1.071 63 R CA 0.126 56.246 56.100 0.033 0.000 0.922 63 R CB 0.360 30.684 30.300 0.039 0.000 1.023 63 R HN 0.502 nan 8.270 nan 0.000 0.458 64 L N 2.520 123.828 121.223 0.142 0.000 2.301 64 L HA 0.642 4.983 4.340 0.000 0.000 0.264 64 L C 0.081 177.121 176.870 0.283 0.000 1.016 64 L CA -1.240 53.746 54.840 0.243 0.000 0.821 64 L CB 1.694 43.955 42.059 0.336 0.000 1.346 64 L HN 0.351 nan 8.230 nan 0.000 0.429 65 R N 1.237 121.896 120.500 0.266 0.000 2.513 65 R HA 0.366 4.706 4.340 0.000 0.000 0.283 65 R C -2.655 173.751 176.300 0.178 0.000 1.535 65 R CA -1.972 54.256 56.100 0.212 0.000 1.315 65 R CB 0.975 31.390 30.300 0.191 0.000 1.163 65 R HN 0.223 nan 8.270 nan 0.000 0.573 66 P HA 0.043 nan 4.420 nan 0.000 0.268 66 P C 0.422 177.710 177.300 -0.020 0.000 1.208 66 P CA -0.062 62.986 63.100 -0.086 0.000 0.777 66 P CB 1.025 32.591 31.700 -0.225 0.000 0.875 67 D N 1.299 121.676 120.400 -0.038 0.000 2.194 67 D HA -0.035 4.605 4.640 0.000 0.000 0.204 67 D C 0.823 177.115 176.300 -0.013 0.000 0.964 67 D CA 1.307 55.333 54.000 0.043 0.000 0.846 67 D CB 0.399 41.253 40.800 0.091 0.000 0.962 67 D HN 0.505 nan 8.370 nan 0.000 0.490 68 R N -1.219 119.230 120.500 -0.086 0.000 2.692 68 R HA 0.553 4.893 4.340 0.000 0.000 0.269 68 R C -1.761 174.446 176.300 -0.155 0.000 1.030 68 R CA -0.815 55.225 56.100 -0.100 0.000 0.882 68 R CB 1.328 31.583 30.300 -0.075 0.000 1.250 68 R HN -0.275 nan 8.270 nan 0.000 0.465 69 V N 0.962 120.783 119.914 -0.156 0.000 2.409 69 V HA 0.767 4.887 4.120 0.000 0.000 0.291 69 V C -0.443 175.564 176.094 -0.146 0.000 1.020 69 V CA -0.472 61.727 62.300 -0.169 0.000 0.848 69 V CB 1.314 33.037 31.823 -0.166 0.000 0.990 69 V HN 0.932 nan 8.190 nan 0.000 0.430 70 A N 6.480 129.229 122.820 -0.117 0.000 2.365 70 A HA 0.974 5.294 4.320 0.000 0.000 0.318 70 A C -0.683 176.893 177.584 -0.013 0.000 1.091 70 A CA -0.643 51.364 52.037 -0.050 0.000 0.763 70 A CB 1.443 20.412 19.000 -0.052 0.000 1.248 70 A HN 0.787 nan 8.150 nan 0.000 0.442 71 M N 1.425 121.055 119.600 0.050 0.000 2.535 71 M HA 0.432 4.912 4.480 0.000 0.000 0.314 71 M C -0.489 175.872 176.300 0.102 0.000 1.153 71 M CA -0.773 54.554 55.300 0.045 0.000 0.924 71 M CB 2.425 35.040 32.600 0.025 0.000 1.710 71 M HN 0.885 nan 8.290 nan 0.000 0.451 72 Q N -0.145 119.683 119.800 0.048 0.000 2.240 72 Q HA 0.349 4.690 4.340 0.000 0.000 0.260 72 Q C 0.023 176.071 176.000 0.080 0.000 1.018 72 Q CA -0.787 55.061 55.803 0.075 0.000 0.898 72 Q CB 0.576 29.329 28.738 0.024 0.000 1.301 72 Q HN 0.663 nan 8.270 nan 0.000 0.469 73 D N 0.263 120.752 120.400 0.148 0.000 2.310 73 D HA -0.121 4.519 4.640 0.000 0.000 0.212 73 D C 1.117 177.495 176.300 0.130 0.000 0.965 73 D CA 1.237 55.350 54.000 0.189 0.000 0.879 73 D CB -0.366 40.617 40.800 0.305 0.000 0.921 73 D HN 0.560 nan 8.370 nan 0.000 0.510 74 A N 0.406 123.239 122.820 0.022 0.000 2.016 74 A HA -0.002 4.319 4.320 0.000 0.000 0.217 74 A C 2.175 179.771 177.584 0.020 0.000 1.162 74 A CA 1.708 53.734 52.037 -0.020 0.000 0.662 74 A CB -0.559 18.355 19.000 -0.143 0.000 0.812 74 A HN 0.418 nan 8.150 nan 0.000 0.450 75 T N -4.585 109.979 114.554 0.017 0.000 3.023 75 T HA 0.495 4.845 4.350 0.000 0.000 0.253 75 T C 1.557 176.327 174.700 0.115 0.000 1.038 75 T CA 0.776 62.939 62.100 0.105 0.000 0.962 75 T CB 0.312 69.212 68.868 0.055 0.000 1.018 75 T HN 0.364 nan 8.240 nan 0.000 0.521 76 A N 1.768 124.656 122.820 0.114 0.000 2.067 76 A HA 0.055 4.375 4.320 0.000 0.000 0.217 76 A C 2.314 180.014 177.584 0.193 0.000 1.156 76 A CA 0.752 52.864 52.037 0.125 0.000 0.683 76 A CB -0.471 18.603 19.000 0.123 0.000 0.808 76 A HN 0.599 nan 8.150 nan 0.000 0.455 77 Q N -1.602 118.348 119.800 0.249 0.000 2.083 77 Q HA -0.092 4.248 4.340 0.000 0.000 0.198 77 Q C 1.983 178.132 176.000 0.249 0.000 0.969 77 Q CA 1.542 57.557 55.803 0.352 0.000 0.838 77 Q CB -0.255 28.635 28.738 0.254 0.000 0.900 77 Q HN 0.550 nan 8.270 nan 0.000 0.436 78 M N 0.544 120.249 119.600 0.174 0.000 2.236 78 M HA 0.029 4.509 4.480 0.000 0.000 0.266 78 M C 1.992 178.328 176.300 0.059 0.000 1.070 78 M CA 1.267 56.613 55.300 0.076 0.000 1.137 78 M CB -0.399 32.193 32.600 -0.013 0.000 1.378 78 M HN 0.208 nan 8.290 nan 0.000 0.426 79 A N -0.180 122.685 122.820 0.074 0.000 1.908 79 A HA -0.175 4.145 4.320 0.000 0.000 0.218 79 A C 2.051 179.689 177.584 0.091 0.000 1.181 79 A CA 1.835 53.905 52.037 0.056 0.000 0.627 79 A CB -0.568 18.455 19.000 0.038 0.000 0.818 79 A HN 0.473 nan 8.150 nan 0.000 0.445 80 M N -0.720 118.961 119.600 0.135 0.000 2.254 80 M HA 0.063 4.543 4.480 0.000 0.000 0.265 80 M C 2.102 178.514 176.300 0.186 0.000 1.066 80 M CA 0.923 56.313 55.300 0.150 0.000 1.123 80 M CB -1.426 31.237 32.600 0.104 0.000 1.388 80 M HN 0.365 nan 8.290 nan 0.000 0.425 81 L N 0.071 121.421 121.223 0.212 0.000 2.012 81 L HA -0.270 4.070 4.340 0.000 0.000 0.210 81 L C 2.558 179.435 176.870 0.012 0.000 1.073 81 L CA 1.508 56.418 54.840 0.116 0.000 0.748 81 L CB -0.622 41.459 42.059 0.036 0.000 0.891 81 L HN 0.387 nan 8.230 nan 0.000 0.431 82 Q N -1.383 118.413 119.800 -0.007 0.000 2.167 82 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 82 Q C 2.085 178.036 176.000 -0.083 0.000 0.970 82 Q CA 1.358 57.126 55.803 -0.058 0.000 0.855 82 Q CB -0.185 28.522 28.738 -0.052 0.000 0.911 82 Q HN 0.411 nan 8.270 nan 0.000 0.438 83 F N 1.264 121.130 119.950 -0.140 0.000 2.163 83 F HA -0.094 4.434 4.527 0.000 0.000 0.297 83 F C 1.809 177.429 175.800 -0.301 0.000 1.094 83 F CA 0.869 58.739 58.000 -0.216 0.000 1.290 83 F CB -0.028 38.812 39.000 -0.268 0.000 1.017 83 F HN -0.070 nan 8.300 nan 0.000 0.483 84 I N -0.451 119.920 120.570 -0.332 0.000 2.163 84 I HA -0.376 3.794 4.170 0.000 0.000 0.243 84 I C 2.438 178.385 176.117 -0.284 0.000 1.085 84 I CA 1.584 62.685 61.300 -0.331 0.000 1.347 84 I CB -0.821 37.157 38.000 -0.038 0.000 1.044 84 I HN 0.053 nan 8.210 nan 0.000 0.408 85 S N 0.814 116.384 115.700 -0.217 0.000 2.392 85 S HA -0.215 4.256 4.470 0.000 0.000 0.232 85 S C 2.083 176.540 174.600 -0.238 0.000 1.041 85 S CA 1.835 59.924 58.200 -0.185 0.000 1.026 85 S CB -0.462 62.646 63.200 -0.154 0.000 0.845 85 S HN 0.600 nan 8.310 nan 0.000 0.465 86 S N 0.788 116.266 115.700 -0.369 0.000 2.440 86 S HA 0.063 4.533 4.470 0.000 0.000 0.238 86 S C 1.790 176.217 174.600 -0.288 0.000 1.010 86 S CA 0.790 58.780 58.200 -0.349 0.000 0.972 86 S CB -0.995 61.904 63.200 -0.502 0.000 0.774 86 S HN 0.883 nan 8.310 nan 0.000 0.501 87 G N 0.775 109.391 108.800 -0.308 0.000 2.168 87 G HA2 -0.282 3.678 3.960 0.000 0.000 0.257 87 G HA3 -0.282 3.678 3.960 0.000 0.000 0.257 87 G C -0.051 174.772 174.900 -0.128 0.000 0.997 87 G CA 0.415 45.419 45.100 -0.160 0.000 0.708 87 G HN 0.530 nan 8.290 nan 0.000 0.520 88 L N 0.807 121.858 121.223 -0.286 0.000 2.397 88 L HA 0.350 4.691 4.340 0.000 0.000 0.271 88 L C -0.195 176.776 176.870 0.169 0.000 1.148 88 L CA -1.461 53.325 54.840 -0.089 0.000 0.825 88 L CB 1.161 43.152 42.059 -0.114 0.000 1.117 88 L HN -0.015 nan 8.230 nan 0.000 0.456 89 P HA 0.043 nan 4.420 nan 0.000 0.252 89 P C -0.096 177.453 177.300 0.415 0.000 1.218 89 P CA 0.521 63.832 63.100 0.351 0.000 0.807 89 P CB 0.743 32.531 31.700 0.146 0.000 1.072 90 K N 0.604 121.255 120.400 0.418 0.000 2.527 90 K HA 0.306 4.626 4.320 0.000 0.000 0.260 90 K C -0.730 176.027 176.600 0.260 0.000 0.937 90 K CA -0.842 55.615 56.287 0.283 0.000 0.826 90 K CB 3.262 35.855 32.500 0.155 0.000 1.359 90 K HN -0.226 nan 8.250 nan 0.000 0.434 91 V N 0.264 120.193 119.914 0.024 0.000 2.881 91 V HA 0.418 4.538 4.120 0.000 0.000 0.303 91 V C 1.047 177.137 176.094 -0.007 0.000 1.070 91 V CA 0.442 62.654 62.300 -0.147 0.000 1.074 91 V CB 1.002 32.621 31.823 -0.340 0.000 1.012 91 V HN 0.797 nan 8.190 nan 0.000 0.482 92 A N 3.236 126.062 122.820 0.011 0.000 2.178 92 A HA 0.505 4.825 4.320 0.000 0.000 0.211 92 A C 0.854 178.446 177.584 0.013 0.000 1.157 92 A CA 0.935 52.996 52.037 0.040 0.000 0.780 92 A CB -0.443 18.596 19.000 0.065 0.000 0.828 92 A HN 1.693 nan 8.150 nan 0.000 0.476 93 V N -4.448 115.452 119.914 -0.024 0.000 3.040 93 V HA 0.570 4.690 4.120 0.000 0.000 0.312 93 V C -3.120 172.948 176.094 -0.044 0.000 1.115 93 V CA -2.961 59.323 62.300 -0.026 0.000 0.998 93 V CB 1.667 33.469 31.823 -0.035 0.000 1.042 93 V HN 0.049 nan 8.190 nan 0.000 0.433 94 P HA 0.194 nan 4.420 nan 0.000 0.263 94 P C -0.362 176.889 177.300 -0.081 0.000 1.195 94 P CA 0.636 63.719 63.100 -0.028 0.000 0.762 94 P CB 0.597 32.304 31.700 0.012 0.000 0.799 95 S N 1.723 117.364 115.700 -0.099 0.000 2.547 95 S HA 0.645 5.115 4.470 0.000 0.000 0.281 95 S C -0.165 174.360 174.600 -0.125 0.000 1.118 95 S CA -0.553 57.566 58.200 -0.136 0.000 0.947 95 S CB 1.912 65.011 63.200 -0.168 0.000 1.053 95 S HN 0.610 nan 8.310 nan 0.000 0.482 96 T N -0.288 114.189 114.554 -0.129 0.000 2.907 96 T HA 0.807 5.157 4.350 0.000 0.000 0.292 96 T C -0.670 173.965 174.700 -0.107 0.000 1.043 96 T CA -0.708 61.326 62.100 -0.109 0.000 1.003 96 T CB 0.831 69.615 68.868 -0.140 0.000 1.084 96 T HN 0.434 nan 8.240 nan 0.000 0.483 97 I N 1.907 122.397 120.570 -0.132 0.000 2.474 97 I HA 0.400 4.570 4.170 0.000 0.000 0.294 97 I C -0.289 175.657 176.117 -0.284 0.000 1.005 97 I CA -0.932 60.333 61.300 -0.059 0.000 1.113 97 I CB 1.526 39.606 38.000 0.134 0.000 1.289 97 I HN 0.617 nan 8.210 nan 0.000 0.436 98 H N 4.756 123.832 119.070 0.010 0.000 2.589 98 H HA 0.260 4.816 4.556 0.000 0.000 0.335 98 H C -1.020 174.290 175.328 -0.030 0.000 1.019 98 H CA -0.582 55.427 56.048 -0.065 0.000 1.213 98 H CB 1.948 31.610 29.762 -0.166 0.000 1.472 98 H HN 0.552 nan 8.280 nan 0.000 0.508 99 C N 3.808 123.095 119.300 -0.021 0.000 2.484 99 C HA 0.035 4.495 4.460 0.000 0.000 0.494 99 C C 1.462 176.488 174.990 0.061 0.000 1.052 99 C CA -0.570 58.474 59.018 0.043 0.000 1.307 99 C CB -1.626 26.017 27.740 -0.161 0.000 1.464 99 C HN 0.779 nan 8.230 nan 0.000 0.564 100 D N -0.926 119.542 120.400 0.113 0.000 2.454 100 D HA -0.025 4.615 4.640 0.000 0.000 0.214 100 D C 1.042 177.341 176.300 -0.002 0.000 1.088 100 D CA 0.535 54.555 54.000 0.032 0.000 0.855 100 D CB -0.304 40.474 40.800 -0.037 0.000 1.025 100 D HN 0.518 nan 8.370 nan 0.000 0.502 101 H N -0.159 118.941 119.070 0.050 0.000 2.553 101 H HA 0.393 4.949 4.556 0.000 0.000 0.265 101 H C 1.073 176.433 175.328 0.053 0.000 0.964 101 H CA 0.437 56.510 56.048 0.041 0.000 1.156 101 H CB 0.559 30.347 29.762 0.044 0.000 1.411 101 H HN 0.047 nan 8.280 nan 0.000 0.558 102 L N 0.380 121.709 121.223 0.177 0.000 3.014 102 L HA 0.303 4.643 4.340 0.000 0.000 0.263 102 L C -0.456 176.475 176.870 0.102 0.000 1.207 102 L CA 0.026 54.934 54.840 0.114 0.000 1.017 102 L CB 0.699 42.810 42.059 0.087 0.000 1.360 102 L HN 0.105 nan 8.230 nan 0.000 0.560 103 I N 0.904 121.528 120.570 0.090 0.000 2.307 103 I HA 0.123 4.293 4.170 0.000 0.000 0.289 103 I C 0.465 176.602 176.117 0.034 0.000 1.021 103 I CA -0.048 61.295 61.300 0.072 0.000 1.224 103 I CB 1.393 39.427 38.000 0.058 0.000 1.376 103 I HN 0.124 nan 8.210 nan 0.000 0.470 104 E N 6.311 126.536 120.200 0.043 0.000 2.229 104 E HA 0.434 4.784 4.350 0.000 0.000 0.283 104 E C -0.415 176.224 176.600 0.065 0.000 1.030 104 E CA -0.779 55.654 56.400 0.054 0.000 0.836 104 E CB 1.283 31.014 29.700 0.051 0.000 1.068 104 E HN 0.702 nan 8.360 nan 0.000 0.401 105 A N 4.762 127.630 122.820 0.081 0.000 2.438 105 A HA 0.017 4.337 4.320 0.000 0.000 0.280 105 A C 0.485 178.178 177.584 0.182 0.000 1.160 105 A CA 0.199 52.287 52.037 0.085 0.000 0.821 105 A CB 0.559 19.559 19.000 -0.000 0.000 1.101 105 A HN 0.913 nan 8.150 nan 0.000 0.515 106 Q N 1.885 121.759 119.800 0.122 0.000 2.546 106 Q HA 0.194 4.534 4.340 0.000 0.000 0.203 106 Q C 0.261 176.318 176.000 0.095 0.000 0.740 106 Q CA -0.038 55.836 55.803 0.119 0.000 0.879 106 Q CB 0.237 29.020 28.738 0.075 0.000 1.265 106 Q HN 0.650 nan 8.270 nan 0.000 0.585 107 L N 0.115 121.375 121.223 0.063 0.000 2.906 107 L HA 0.520 4.860 4.340 0.000 0.000 0.255 107 L C 0.522 177.414 176.870 0.036 0.000 1.166 107 L CA 0.719 55.589 54.840 0.050 0.000 0.977 107 L CB 0.198 42.280 42.059 0.038 0.000 1.313 107 L HN 0.407 nan 8.230 nan 0.000 0.549 108 G N -0.365 108.451 108.800 0.027 0.000 2.539 108 G HA2 0.095 4.056 3.960 0.000 0.000 0.686 108 G HA3 0.095 4.056 3.960 0.000 0.000 0.686 108 G C 0.650 175.553 174.900 0.005 0.000 1.258 108 G CA -0.313 44.791 45.100 0.007 0.000 0.846 108 G HN 0.268 nan 8.290 nan 0.000 0.647 109 G N 0.587 109.383 108.800 -0.006 0.000 2.802 109 G HA2 -0.278 3.683 3.960 0.000 0.000 0.222 109 G HA3 -0.278 3.683 3.960 0.000 0.000 0.222 109 G C 1.572 176.474 174.900 0.004 0.000 1.248 109 G CA 2.508 47.604 45.100 -0.005 0.000 0.787 109 G HN 1.655 nan 8.290 nan 0.000 0.643 110 E N 0.249 120.454 120.200 0.007 0.000 2.077 110 E HA -0.103 4.247 4.350 0.000 0.000 0.193 110 E C 2.367 178.977 176.600 0.017 0.000 0.989 110 E CA 1.366 57.773 56.400 0.011 0.000 0.800 110 E CB -0.273 29.434 29.700 0.012 0.000 0.746 110 E HN 0.482 nan 8.360 nan 0.000 0.452 111 K N 0.668 121.079 120.400 0.018 0.000 2.002 111 K HA -0.143 4.177 4.320 0.000 0.000 0.209 111 K C 1.937 178.553 176.600 0.027 0.000 1.048 111 K CA 1.818 58.118 56.287 0.022 0.000 0.930 111 K CB -0.075 32.439 32.500 0.023 0.000 0.714 111 K HN 0.106 nan 8.250 nan 0.000 0.438 112 D N 0.601 121.017 120.400 0.027 0.000 2.097 112 D HA -0.153 4.488 4.640 0.000 0.000 0.195 112 D C 1.766 178.089 176.300 0.038 0.000 0.989 112 D CA 0.823 54.842 54.000 0.032 0.000 0.827 112 D CB -0.192 40.624 40.800 0.027 0.000 0.966 112 D HN 0.015 nan 8.370 nan 0.000 0.456 113 L N 0.778 122.020 121.223 0.031 0.000 2.093 113 L HA -0.023 4.317 4.340 0.000 0.000 0.208 113 L C 2.154 179.055 176.870 0.052 0.000 1.085 113 L CA 1.506 56.369 54.840 0.038 0.000 0.755 113 L CB -0.383 41.685 42.059 0.015 0.000 0.904 113 L HN -0.140 nan 8.230 nan 0.000 0.435 114 R N -0.919 119.606 120.500 0.041 0.000 2.081 114 R HA -0.152 4.189 4.340 0.000 0.000 0.235 114 R C 2.477 178.810 176.300 0.055 0.000 1.131 114 R CA 0.939 57.066 56.100 0.044 0.000 0.960 114 R CB -0.239 30.081 30.300 0.032 0.000 0.856 114 R HN 0.247 nan 8.270 nan 0.000 0.436 115 R N 0.563 121.093 120.500 0.049 0.000 2.082 115 R HA -0.101 4.239 4.340 0.000 0.000 0.234 115 R C 2.062 178.400 176.300 0.062 0.000 1.136 115 R CA 1.946 58.073 56.100 0.046 0.000 0.935 115 R CB -0.811 29.511 30.300 0.038 0.000 0.842 115 R HN 0.353 nan 8.270 nan 0.000 0.430 116 A N 1.260 124.130 122.820 0.084 0.000 1.940 116 A HA -0.177 4.143 4.320 0.000 0.000 0.219 116 A C 2.115 179.834 177.584 0.225 0.000 1.176 116 A CA 1.785 53.900 52.037 0.129 0.000 0.631 116 A CB -0.338 18.759 19.000 0.162 0.000 0.814 116 A HN 0.377 nan 8.150 nan 0.000 0.446 117 K N -0.350 120.191 120.400 0.236 0.000 2.211 117 K HA -0.094 4.226 4.320 0.000 0.000 0.203 117 K C 1.182 177.899 176.600 0.195 0.000 1.050 117 K CA 1.301 57.767 56.287 0.300 0.000 0.945 117 K CB -0.093 32.504 32.500 0.162 0.000 0.732 117 K HN 0.543 nan 8.250 nan 0.000 0.451 118 D N 0.674 121.141 120.400 0.112 0.000 2.197 118 D HA -0.047 4.593 4.640 0.000 0.000 0.212 118 D C 1.954 178.275 176.300 0.035 0.000 0.963 118 D CA 0.669 54.709 54.000 0.067 0.000 0.864 118 D CB 0.152 40.981 40.800 0.049 0.000 1.009 118 D HN -0.007 nan 8.370 nan 0.000 0.479 119 I N 2.203 122.785 120.570 0.019 0.000 2.113 119 I HA -0.238 3.932 4.170 0.000 0.000 0.242 119 I C 1.273 177.345 176.117 -0.075 0.000 1.064 119 I CA 1.379 62.664 61.300 -0.026 0.000 1.320 119 I CB -1.029 36.954 38.000 -0.029 0.000 1.028 119 I HN 0.018 nan 8.210 nan 0.000 0.406 120 N N 1.264 119.891 118.700 -0.122 0.000 2.320 120 N HA -0.023 4.718 4.740 0.000 0.000 0.237 120 N C 1.583 176.902 175.510 -0.318 0.000 1.129 120 N CA -0.119 52.726 53.050 -0.342 0.000 0.854 120 N CB 0.442 38.475 38.487 -0.757 0.000 1.083 120 N HN 0.452 nan 8.380 nan 0.000 0.504 121 Q N 1.894 121.666 119.800 -0.048 0.000 2.045 121 Q HA -0.223 4.117 4.340 0.000 0.000 0.206 121 Q C 1.562 177.598 176.000 0.060 0.000 0.991 121 Q CA 1.639 57.488 55.803 0.076 0.000 0.851 121 Q CB 0.000 28.779 28.738 0.068 0.000 0.911 121 Q HN 0.519 nan 8.270 nan 0.000 0.418 122 E N -0.671 119.533 120.200 0.008 0.000 2.077 122 E HA -0.142 4.208 4.350 0.000 0.000 0.193 122 E C 2.079 178.717 176.600 0.064 0.000 0.989 122 E CA 1.477 57.896 56.400 0.032 0.000 0.800 122 E CB 0.126 29.829 29.700 0.006 0.000 0.746 122 E HN 0.270 nan 8.360 nan 0.000 0.452 123 V N 0.391 120.298 119.914 -0.012 0.000 2.323 123 V HA -0.215 3.905 4.120 0.000 0.000 0.244 123 V C 2.050 178.252 176.094 0.180 0.000 1.041 123 V CA 1.613 63.946 62.300 0.054 0.000 1.025 123 V CB -0.689 31.076 31.823 -0.096 0.000 0.656 123 V HN 0.336 nan 8.190 nan 0.000 0.451 124 Y N 0.882 121.271 120.300 0.147 0.000 2.165 124 Y HA -0.232 4.319 4.550 0.000 0.000 0.286 124 Y C 2.472 178.382 175.900 0.017 0.000 1.155 124 Y CA 1.549 59.744 58.100 0.158 0.000 1.164 124 Y CB -1.236 37.334 38.460 0.185 0.000 0.978 124 Y HN 0.398 nan 8.280 nan 0.000 0.513 125 N N -0.168 118.646 118.700 0.190 0.000 2.069 125 N HA -0.241 4.499 4.740 0.000 0.000 0.191 125 N C 1.770 177.285 175.510 0.008 0.000 1.031 125 N CA 1.303 54.381 53.050 0.047 0.000 0.852 125 N CB -0.596 37.933 38.487 0.070 0.000 1.018 125 N HN 0.201 nan 8.380 nan 0.000 0.423 126 F N 0.939 120.876 119.950 -0.021 0.000 2.095 126 F HA -0.064 4.463 4.527 0.000 0.000 0.298 126 F C 1.784 177.552 175.800 -0.053 0.000 1.104 126 F CA 1.377 59.364 58.000 -0.023 0.000 1.232 126 F CB -0.487 38.519 39.000 0.011 0.000 0.987 126 F HN 0.087 nan 8.300 nan 0.000 0.475 127 L N -0.180 120.893 121.223 -0.249 0.000 2.093 127 L HA -0.132 4.209 4.340 0.000 0.000 0.208 127 L C 2.789 179.301 176.870 -0.598 0.000 1.085 127 L CA 1.004 55.625 54.840 -0.366 0.000 0.755 127 L CB -1.161 40.946 42.059 0.081 0.000 0.904 127 L HN 0.284 nan 8.230 nan 0.000 0.435 128 A N -0.506 121.763 122.820 -0.918 0.000 1.902 128 A HA -0.184 4.137 4.320 0.000 0.000 0.217 128 A C 2.364 179.582 177.584 -0.609 0.000 1.181 128 A CA 2.312 53.601 52.037 -1.246 0.000 0.623 128 A CB -0.782 17.546 19.000 -1.120 0.000 0.818 128 A HN 0.335 nan 8.150 nan 0.000 0.443 129 T N -0.122 114.175 114.554 -0.428 0.000 2.812 129 T HA 0.105 4.455 4.350 0.000 0.000 0.264 129 T C 2.234 176.767 174.700 -0.278 0.000 1.042 129 T CA 1.282 63.211 62.100 -0.286 0.000 1.140 129 T CB -0.352 68.405 68.868 -0.185 0.000 0.870 129 T HN 0.559 nan 8.240 nan 0.000 0.445 130 A N 1.307 123.911 122.820 -0.361 0.000 1.933 130 A HA 0.105 4.425 4.320 0.000 0.000 0.218 130 A C 2.545 180.058 177.584 -0.117 0.000 1.175 130 A CA 1.888 53.798 52.037 -0.212 0.000 0.628 130 A CB -1.294 17.448 19.000 -0.430 0.000 0.814 130 A HN 0.504 nan 8.150 nan 0.000 0.444 131 G N -0.461 108.199 108.800 -0.234 0.000 2.433 131 G HA2 0.001 3.961 3.960 0.000 0.000 0.216 131 G HA3 0.001 3.961 3.960 0.000 0.000 0.216 131 G C 1.778 176.571 174.900 -0.178 0.000 1.186 131 G CA 1.455 46.446 45.100 -0.183 0.000 0.779 131 G HN 0.804 nan 8.290 nan 0.000 0.543 132 A N 0.295 122.982 122.820 -0.222 0.000 1.933 132 A HA -0.011 4.309 4.320 0.000 0.000 0.218 132 A C 2.304 179.781 177.584 -0.179 0.000 1.175 132 A CA 2.162 54.085 52.037 -0.189 0.000 0.628 132 A CB -0.347 18.539 19.000 -0.189 0.000 0.814 132 A HN 0.261 nan 8.150 nan 0.000 0.444 133 K N -0.916 119.347 120.400 -0.228 0.000 2.025 133 K HA -0.076 4.244 4.320 0.000 0.000 0.207 133 K C 0.940 177.289 176.600 -0.418 0.000 1.049 133 K CA 1.568 57.632 56.287 -0.372 0.000 0.933 133 K CB -0.348 31.848 32.500 -0.507 0.000 0.714 133 K HN 0.626 nan 8.250 nan 0.000 0.438 134 Y N -0.818 119.449 120.300 -0.056 0.000 2.507 134 Y HA 0.246 4.796 4.550 0.000 0.000 0.254 134 Y C 0.865 176.713 175.900 -0.087 0.000 1.171 134 Y CA 0.146 58.235 58.100 -0.019 0.000 1.238 134 Y CB 0.902 39.386 38.460 0.039 0.000 1.148 134 Y HN 0.283 nan 8.280 nan 0.000 0.525 135 G N 0.852 109.647 108.800 -0.008 0.000 2.255 135 G HA2 -0.199 3.761 3.960 0.000 0.000 0.239 135 G HA3 -0.199 3.761 3.960 0.000 0.000 0.239 135 G C -0.714 174.130 174.900 -0.094 0.000 1.083 135 G CA -0.095 44.974 45.100 -0.052 0.000 0.826 135 G HN 0.093 nan 8.290 nan 0.000 0.493 136 V N 0.364 120.209 119.914 -0.116 0.000 2.398 136 V HA 0.768 4.888 4.120 0.000 0.000 0.286 136 V C 1.248 177.259 176.094 -0.137 0.000 1.026 136 V CA -0.260 61.966 62.300 -0.124 0.000 0.868 136 V CB 1.610 33.359 31.823 -0.122 0.000 0.982 136 V HN 0.871 nan 8.190 nan 0.000 0.443 137 G N 3.169 111.899 108.800 -0.117 0.000 2.398 137 G HA2 0.335 4.295 3.960 0.000 0.000 0.246 137 G HA3 0.335 4.295 3.960 0.000 0.000 0.246 137 G C -1.004 173.843 174.900 -0.089 0.000 1.289 137 G CA 0.100 45.129 45.100 -0.118 0.000 0.869 137 G HN 0.550 nan 8.290 nan 0.000 0.543 138 F N 2.635 122.279 119.950 -0.512 0.000 2.427 138 F HA 0.604 5.131 4.527 0.000 0.000 0.348 138 F C -1.234 174.313 175.800 -0.421 0.000 1.125 138 F CA -2.139 55.638 58.000 -0.372 0.000 0.989 138 F CB 1.200 39.999 39.000 -0.335 0.000 1.165 138 F HN 0.451 nan 8.300 nan 0.000 0.442 139 W N 7.297 128.086 121.300 -0.853 0.000 2.291 139 W HA 0.559 5.220 4.660 0.000 0.000 0.312 139 W C 0.218 176.142 176.519 -0.990 0.000 1.061 139 W CA -0.617 56.325 57.345 -0.672 0.000 1.296 139 W CB 0.857 30.106 29.460 -0.352 0.000 1.223 139 W HN 0.389 nan 8.180 nan 0.000 0.421 140 R N 4.032 124.115 120.500 -0.695 0.000 2.774 140 R HA 0.151 4.492 4.340 0.000 0.000 0.269 140 R C -1.980 174.092 176.300 -0.381 0.000 1.068 140 R CA -1.475 54.243 56.100 -0.638 0.000 1.180 140 R CB -0.286 29.833 30.300 -0.302 0.000 1.077 140 R HN 0.128 nan 8.270 nan 0.000 0.513 141 P HA -0.030 nan 4.420 nan 0.000 0.267 141 P C 0.361 177.569 177.300 -0.153 0.000 1.209 141 P CA 0.675 63.594 63.100 -0.301 0.000 0.763 141 P CB 0.913 32.326 31.700 -0.478 0.000 0.816 142 G N 2.820 111.566 108.800 -0.089 0.000 2.352 142 G HA2 -0.301 3.660 3.960 0.000 0.000 0.204 142 G HA3 -0.301 3.660 3.960 0.000 0.000 0.204 142 G C 1.341 176.228 174.900 -0.022 0.000 1.004 142 G CA 0.469 45.542 45.100 -0.045 0.000 0.648 142 G HN 0.535 nan 8.290 nan 0.000 0.491 143 S N 0.333 116.030 115.700 -0.006 0.000 2.368 143 S HA 0.359 4.829 4.470 0.000 0.000 0.226 143 S C 1.786 176.370 174.600 -0.027 0.000 1.044 143 S CA 2.113 60.351 58.200 0.064 0.000 1.062 143 S CB -0.344 62.959 63.200 0.172 0.000 0.931 143 S HN 2.620 nan 8.310 nan 0.000 0.440 144 G N -0.026 108.730 108.800 -0.074 0.000 2.351 144 G HA2 0.251 4.212 3.960 0.000 0.000 0.353 144 G HA3 0.251 4.212 3.960 0.000 0.000 0.353 144 G C -1.049 173.756 174.900 -0.158 0.000 1.358 144 G CA -0.696 44.332 45.100 -0.120 0.000 0.995 144 G HN 0.464 nan 8.290 nan 0.000 0.611 145 I N 1.542 122.003 120.570 -0.182 0.000 2.556 145 I HA 0.125 4.296 4.170 0.000 0.000 0.284 145 I C 2.245 178.160 176.117 -0.337 0.000 1.114 145 I CA -0.168 60.997 61.300 -0.225 0.000 1.418 145 I CB 1.026 38.907 38.000 -0.199 0.000 1.394 145 I HN 0.673 nan 8.210 nan 0.000 0.552 146 I N 5.615 125.917 120.570 -0.446 0.000 2.182 146 I HA -0.406 3.764 4.170 0.000 0.000 0.248 146 I C 2.220 177.887 176.117 -0.750 0.000 1.073 146 I CA 2.030 62.879 61.300 -0.752 0.000 1.335 146 I CB -0.128 37.451 38.000 -0.701 0.000 1.031 146 I HN 0.678 nan 8.210 nan 0.000 0.420 147 H N 0.222 119.144 119.070 -0.247 0.000 2.470 147 H HA -0.020 4.536 4.556 0.000 0.000 0.289 147 H C 2.231 177.454 175.328 -0.175 0.000 1.033 147 H CA 0.805 56.741 56.048 -0.187 0.000 1.331 147 H CB -0.167 29.524 29.762 -0.118 0.000 1.414 147 H HN 0.527 nan 8.280 nan 0.000 0.545 148 Q N 0.312 120.041 119.800 -0.118 0.000 1.994 148 Q HA -0.070 4.270 4.340 0.000 0.000 0.198 148 Q C 2.479 178.370 176.000 -0.182 0.000 0.976 148 Q CA 0.500 56.229 55.803 -0.123 0.000 0.828 148 Q CB -0.067 28.590 28.738 -0.135 0.000 0.894 148 Q HN 0.341 nan 8.270 nan 0.000 0.432 149 I N 1.155 121.540 120.570 -0.308 0.000 2.145 149 I HA -0.297 3.873 4.170 0.000 0.000 0.244 149 I C 2.470 178.424 176.117 -0.272 0.000 1.075 149 I CA 1.366 62.402 61.300 -0.441 0.000 1.332 149 I CB -1.125 36.441 38.000 -0.723 0.000 1.033 149 I HN 0.190 nan 8.210 nan 0.000 0.410 150 I N -0.073 120.382 120.570 -0.192 0.000 2.226 150 I HA -0.301 3.870 4.170 0.000 0.000 0.245 150 I C 2.545 178.686 176.117 0.040 0.000 1.100 150 I CA 1.018 62.338 61.300 0.033 0.000 1.374 150 I CB -0.269 37.724 38.000 -0.011 0.000 1.057 150 I HN 0.171 nan 8.210 nan 0.000 0.413 151 L N 0.751 121.977 121.223 0.004 0.000 2.083 151 L HA -0.197 4.143 4.340 0.000 0.000 0.209 151 L C 2.234 179.202 176.870 0.164 0.000 1.083 151 L CA 1.899 56.775 54.840 0.061 0.000 0.752 151 L CB -0.422 41.639 42.059 0.003 0.000 0.899 151 L HN 0.196 nan 8.230 nan 0.000 0.433 152 E N -1.326 118.897 120.200 0.038 0.000 2.299 152 E HA -0.022 4.328 4.350 0.000 0.000 0.193 152 E C 1.115 177.622 176.600 -0.156 0.000 0.998 152 E CA 0.729 57.093 56.400 -0.059 0.000 0.851 152 E CB 0.114 29.697 29.700 -0.195 0.000 0.795 152 E HN 0.579 nan 8.360 nan 0.000 0.492 153 N N -1.240 117.340 118.700 -0.200 0.000 2.325 153 N HA 0.053 4.794 4.740 0.000 0.000 0.220 153 N C 0.438 175.685 175.510 -0.439 0.000 1.176 153 N CA 0.394 53.204 53.050 -0.400 0.000 0.861 153 N CB 0.645 38.772 38.487 -0.601 0.000 1.230 153 N HN 0.118 nan 8.380 nan 0.000 0.479 154 Y N 0.771 121.126 120.300 0.093 0.000 2.441 154 Y HA 0.479 5.029 4.550 0.000 0.000 0.266 154 Y C 0.780 176.738 175.900 0.097 0.000 1.093 154 Y CA -0.720 57.454 58.100 0.123 0.000 1.246 154 Y CB 0.313 38.822 38.460 0.082 0.000 1.262 154 Y HN -0.119 nan 8.280 nan 0.000 0.518 155 A N 0.831 123.763 122.820 0.187 0.000 2.316 155 A HA 0.628 4.949 4.320 0.000 0.000 0.284 155 A C -0.988 176.699 177.584 0.172 0.000 1.115 155 A CA -0.129 51.952 52.037 0.073 0.000 0.812 155 A CB -0.242 18.790 19.000 0.053 0.000 1.064 155 A HN 0.352 nan 8.150 nan 0.000 0.489 156 Y N -1.499 118.867 120.300 0.110 0.000 2.638 156 Y HA 0.670 5.220 4.550 0.000 0.000 0.335 156 Y C -3.308 172.668 175.900 0.128 0.000 1.155 156 Y CA -3.291 54.876 58.100 0.112 0.000 1.046 156 Y CB 0.307 38.819 38.460 0.087 0.000 1.303 156 Y HN 0.363 nan 8.280 nan 0.000 0.460 157 P HA 0.206 nan 4.420 nan 0.000 0.263 157 P C 0.669 178.182 177.300 0.356 0.000 1.195 157 P CA 2.540 65.778 63.100 0.231 0.000 0.762 157 P CB 0.674 32.355 31.700 -0.031 0.000 0.799 158 G N 1.832 110.761 108.800 0.215 0.000 2.159 158 G HA2 -0.239 3.721 3.960 0.000 0.000 0.256 158 G HA3 -0.239 3.721 3.960 0.000 0.000 0.256 158 G C 0.341 175.423 174.900 0.304 0.000 0.977 158 G CA -0.114 45.142 45.100 0.260 0.000 0.652 158 G HN 0.613 nan 8.290 nan 0.000 0.531 159 V N 0.299 120.214 119.914 0.002 0.000 2.963 159 V HA 0.558 4.679 4.120 0.000 0.000 0.306 159 V C 0.511 176.506 176.094 -0.165 0.000 1.077 159 V CA 0.322 62.446 62.300 -0.293 0.000 1.124 159 V CB 1.483 32.776 31.823 -0.883 0.000 0.987 159 V HN 0.800 nan 8.190 nan 0.000 0.487 160 L N 7.266 128.297 121.223 -0.320 0.000 2.342 160 L HA 0.597 4.937 4.340 0.000 0.000 0.276 160 L C -0.869 175.824 176.870 -0.295 0.000 0.997 160 L CA 0.149 54.750 54.840 -0.397 0.000 0.838 160 L CB 1.211 42.793 42.059 -0.795 0.000 1.224 160 L HN 0.669 nan 8.230 nan 0.000 0.416 161 L N 6.323 127.402 121.223 -0.240 0.000 2.346 161 L HA 0.754 5.094 4.340 0.000 0.000 0.274 161 L C -0.854 175.855 176.870 -0.267 0.000 1.007 161 L CA -0.688 54.017 54.840 -0.226 0.000 0.818 161 L CB 1.654 43.608 42.059 -0.174 0.000 1.284 161 L HN 0.745 nan 8.230 nan 0.000 0.424 162 I N 1.222 121.596 120.570 -0.327 0.000 2.569 162 I HA 0.932 5.102 4.170 0.000 0.000 0.296 162 I C -0.239 175.739 176.117 -0.230 0.000 1.028 162 I CA -0.558 60.519 61.300 -0.372 0.000 1.082 162 I CB 1.958 39.531 38.000 -0.712 0.000 1.264 162 I HN 0.601 nan 8.210 nan 0.000 0.429 163 G N 1.845 110.554 108.800 -0.151 0.000 2.620 163 G HA2 0.516 4.476 3.960 0.000 0.000 0.301 163 G HA3 0.516 4.476 3.960 0.000 0.000 0.301 163 G C -0.399 174.478 174.900 -0.039 0.000 1.347 163 G CA -0.647 44.409 45.100 -0.072 0.000 0.971 163 G HN 0.784 nan 8.290 nan 0.000 0.488 164 T N -0.538 114.003 114.554 -0.021 0.000 4.098 164 T HA 0.435 4.785 4.350 0.000 0.000 0.291 164 T C -0.380 174.333 174.700 0.022 0.000 1.440 164 T CA -0.448 61.654 62.100 0.003 0.000 1.164 164 T CB -0.067 68.803 68.868 0.004 0.000 1.313 164 T HN 0.460 nan 8.240 nan 0.000 0.951 165 D N 0.796 121.223 120.400 0.044 0.000 2.787 165 D HA 0.087 4.727 4.640 0.000 0.000 0.215 165 D C 0.719 177.042 176.300 0.038 0.000 1.246 165 D CA -0.292 53.754 54.000 0.077 0.000 0.798 165 D CB 2.073 42.990 40.800 0.194 0.000 1.649 165 D HN 0.334 nan 8.370 nan 0.000 0.507 166 S N 1.618 117.294 115.700 -0.039 0.000 2.522 166 S HA -0.081 4.389 4.470 0.000 0.000 0.227 166 S C 0.945 175.347 174.600 -0.331 0.000 0.986 166 S CA 0.790 58.889 58.200 -0.167 0.000 0.929 166 S CB -0.347 62.724 63.200 -0.216 0.000 0.769 166 S HN 0.560 nan 8.310 nan 0.000 0.529 167 H N 0.825 119.865 119.070 -0.049 0.000 2.519 167 H HA 0.295 4.852 4.556 0.000 0.000 0.289 167 H C 1.449 176.348 175.328 -0.716 0.000 1.040 167 H CA 0.371 56.260 56.048 -0.265 0.000 1.165 167 H CB 0.039 29.679 29.762 -0.203 0.000 1.462 167 H HN 0.322 nan 8.280 nan 0.000 0.555 168 T N 1.144 115.502 114.554 -0.327 0.000 2.737 168 T HA -0.132 4.218 4.350 0.000 0.000 0.269 168 T C -0.617 173.974 174.700 -0.181 0.000 1.040 168 T CA 0.963 62.935 62.100 -0.213 0.000 1.142 168 T CB -0.964 67.897 68.868 -0.012 0.000 0.861 168 T HN 0.349 nan 8.240 nan 0.000 0.456 169 P HA -0.183 nan 4.420 nan 0.000 0.220 169 P C 1.101 178.365 177.300 -0.060 0.000 1.144 169 P CA 1.099 64.166 63.100 -0.054 0.000 0.808 169 P CB -0.270 31.421 31.700 -0.016 0.000 0.763 170 N N -0.625 117.988 118.700 -0.145 0.000 2.137 170 N HA -0.146 4.595 4.740 0.000 0.000 0.190 170 N C 1.817 177.284 175.510 -0.072 0.000 1.017 170 N CA 1.651 54.627 53.050 -0.123 0.000 0.859 170 N CB -0.931 37.441 38.487 -0.191 0.000 1.002 170 N HN 0.065 nan 8.380 nan 0.000 0.428 171 G N -1.058 107.709 108.800 -0.053 0.000 2.559 171 G HA2 -0.113 3.848 3.960 0.000 0.000 0.216 171 G HA3 -0.113 3.848 3.960 0.000 0.000 0.216 171 G C 1.343 176.244 174.900 0.002 0.000 1.126 171 G CA 0.539 45.624 45.100 -0.025 0.000 0.778 171 G HN 0.428 nan 8.290 nan 0.000 0.543 172 G N 0.736 109.553 108.800 0.028 0.000 2.535 172 G HA2 0.059 4.019 3.960 0.000 0.000 0.218 172 G HA3 0.059 4.019 3.960 0.000 0.000 0.218 172 G C 1.578 176.556 174.900 0.131 0.000 1.122 172 G CA 0.992 46.151 45.100 0.099 0.000 0.769 172 G HN 0.491 nan 8.290 nan 0.000 0.549 173 G N -0.096 108.715 108.800 0.018 0.000 2.509 173 G HA2 0.017 3.978 3.960 0.000 0.000 0.218 173 G HA3 0.017 3.978 3.960 0.000 0.000 0.218 173 G C 1.014 175.866 174.900 -0.080 0.000 1.124 173 G CA 0.329 45.364 45.100 -0.107 0.000 0.776 173 G HN 0.371 nan 8.290 nan 0.000 0.547 174 L N 0.341 121.569 121.223 0.009 0.000 3.202 174 L HA 0.442 4.782 4.340 0.000 0.000 0.278 174 L C 1.526 178.489 176.870 0.155 0.000 1.268 174 L CA 0.048 54.939 54.840 0.085 0.000 1.034 174 L CB -0.066 42.042 42.059 0.082 0.000 1.407 174 L HN 0.296 nan 8.230 nan 0.000 0.581 175 G N -0.575 108.327 108.800 0.170 0.000 2.166 175 G HA2 -0.258 3.702 3.960 0.000 0.000 0.260 175 G HA3 -0.258 3.702 3.960 0.000 0.000 0.260 175 G C 0.699 175.679 174.900 0.133 0.000 0.986 175 G CA 0.258 45.474 45.100 0.195 0.000 0.683 175 G HN 0.782 nan 8.290 nan 0.000 0.527 176 G N -0.923 107.922 108.800 0.076 0.000 2.451 176 G HA2 0.601 4.561 3.960 0.000 0.000 0.303 176 G HA3 0.601 4.561 3.960 0.000 0.000 0.303 176 G C -0.032 174.879 174.900 0.017 0.000 1.166 176 G CA -0.886 44.223 45.100 0.015 0.000 0.884 176 G HN 0.315 nan 8.290 nan 0.000 0.514 177 I N 0.701 121.267 120.570 -0.007 0.000 2.291 177 I HA 0.234 4.404 4.170 0.000 0.000 0.290 177 I C -0.413 175.674 176.117 -0.049 0.000 1.050 177 I CA -0.524 60.774 61.300 -0.003 0.000 1.245 177 I CB 0.422 38.430 38.000 0.013 0.000 1.405 177 I HN 0.151 nan 8.210 nan 0.000 0.478 178 C N 7.915 127.196 119.300 -0.032 0.000 2.316 178 C HA 0.586 5.046 4.460 0.000 0.000 0.324 178 C C 0.336 175.307 174.990 -0.031 0.000 1.226 178 C CA -0.722 58.261 59.018 -0.059 0.000 1.450 178 C CB 0.256 27.964 27.740 -0.053 0.000 2.123 178 C HN 0.534 nan 8.230 nan 0.000 0.454 179 I N 2.506 123.049 120.570 -0.044 0.000 2.433 179 I HA 0.514 4.684 4.170 0.000 0.000 0.292 179 I C 0.883 176.989 176.117 -0.019 0.000 1.001 179 I CA 0.040 61.347 61.300 0.013 0.000 1.119 179 I CB 1.610 39.695 38.000 0.141 0.000 1.289 179 I HN 0.779 nan 8.210 nan 0.000 0.438 180 G N 5.387 114.196 108.800 0.015 0.000 2.403 180 G HA2 0.533 4.494 3.960 0.000 0.000 0.259 180 G HA3 0.533 4.494 3.960 0.000 0.000 0.259 180 G C -0.380 174.559 174.900 0.065 0.000 1.244 180 G CA -0.182 44.927 45.100 0.016 0.000 0.849 180 G HN 0.575 nan 8.290 nan 0.000 0.532 181 V N -0.072 119.872 119.914 0.050 0.000 3.182 181 V HA 0.982 5.102 4.120 0.000 0.000 0.308 181 V C 0.498 176.635 176.094 0.072 0.000 1.240 181 V CA -0.535 61.825 62.300 0.100 0.000 1.063 181 V CB 1.352 33.230 31.823 0.093 0.000 1.076 181 V HN 1.090 nan 8.190 nan 0.000 0.446 182 G N -0.254 108.598 108.800 0.087 0.000 2.504 182 G HA2 0.494 4.454 3.960 0.000 0.000 0.288 182 G HA3 0.494 4.454 3.960 0.000 0.000 0.288 182 G C 0.961 175.879 174.900 0.030 0.000 1.182 182 G CA -0.104 45.033 45.100 0.062 0.000 0.894 182 G HN 1.606 nan 8.290 nan 0.000 0.521 183 G N 0.290 109.101 108.800 0.019 0.000 2.469 183 G HA2 -0.052 3.908 3.960 0.000 0.000 0.220 183 G HA3 -0.052 3.908 3.960 0.000 0.000 0.220 183 G C 1.933 176.827 174.900 -0.009 0.000 1.136 183 G CA 1.751 46.854 45.100 0.004 0.000 0.759 183 G HN 0.970 nan 8.290 nan 0.000 0.562 184 A N 0.964 123.767 122.820 -0.028 0.000 1.972 184 A HA -0.050 4.270 4.320 0.000 0.000 0.219 184 A C 2.074 179.633 177.584 -0.042 0.000 1.169 184 A CA 2.167 54.166 52.037 -0.063 0.000 0.635 184 A CB -0.360 18.561 19.000 -0.131 0.000 0.810 184 A HN 0.315 nan 8.150 nan 0.000 0.446 185 D N 0.012 120.422 120.400 0.018 0.000 2.117 185 D HA 0.015 4.655 4.640 0.000 0.000 0.198 185 D C 2.219 178.524 176.300 0.009 0.000 0.982 185 D CA 1.484 55.551 54.000 0.111 0.000 0.828 185 D CB -0.367 40.575 40.800 0.236 0.000 0.967 185 D HN 0.415 nan 8.370 nan 0.000 0.464 186 A N 0.361 123.151 122.820 -0.048 0.000 1.933 186 A HA -0.137 4.183 4.320 0.000 0.000 0.218 186 A C 2.384 179.942 177.584 -0.043 0.000 1.175 186 A CA 1.089 53.071 52.037 -0.093 0.000 0.628 186 A CB -0.704 18.245 19.000 -0.085 0.000 0.814 186 A HN 0.153 nan 8.150 nan 0.000 0.444 187 V N 0.571 120.492 119.914 0.013 0.000 2.407 187 V HA -0.239 3.881 4.120 0.000 0.000 0.248 187 V C 2.153 178.310 176.094 0.104 0.000 1.055 187 V CA 2.147 64.507 62.300 0.100 0.000 1.049 187 V CB -0.791 31.081 31.823 0.080 0.000 0.662 187 V HN 0.503 nan 8.190 nan 0.000 0.455 188 D N 0.257 120.698 120.400 0.068 0.000 2.106 188 D HA -0.161 4.479 4.640 0.000 0.000 0.191 188 D C 2.163 178.526 176.300 0.105 0.000 0.997 188 D CA 1.668 55.728 54.000 0.101 0.000 0.834 188 D CB -0.344 40.558 40.800 0.171 0.000 0.956 188 D HN 0.340 nan 8.370 nan 0.000 0.448 189 V N 0.894 120.844 119.914 0.060 0.000 2.379 189 V HA -0.179 3.941 4.120 0.000 0.000 0.245 189 V C 2.531 178.633 176.094 0.013 0.000 1.044 189 V CA 1.118 63.434 62.300 0.027 0.000 1.036 189 V CB -0.352 31.429 31.823 -0.070 0.000 0.664 189 V HN 0.193 nan 8.190 nan 0.000 0.453 190 M N 0.026 119.614 119.600 -0.020 0.000 2.213 190 M HA -0.118 4.362 4.480 0.000 0.000 0.263 190 M C 2.078 178.469 176.300 0.151 0.000 1.062 190 M CA 1.935 57.188 55.300 -0.077 0.000 1.105 190 M CB -0.431 31.967 32.600 -0.337 0.000 1.385 190 M HN 0.388 nan 8.290 nan 0.000 0.417 191 A N -0.523 122.470 122.820 0.289 0.000 2.238 191 A HA 0.371 4.691 4.320 0.000 0.000 0.208 191 A C 1.619 179.293 177.584 0.151 0.000 1.177 191 A CA 0.849 53.058 52.037 0.286 0.000 0.804 191 A CB -0.519 18.587 19.000 0.177 0.000 0.823 191 A HN 0.639 nan 8.150 nan 0.000 0.482 192 G N -0.698 108.174 108.800 0.120 0.000 2.144 192 G HA2 -0.193 3.768 3.960 0.000 0.000 0.218 192 G HA3 -0.193 3.768 3.960 0.000 0.000 0.218 192 G C 0.183 175.141 174.900 0.097 0.000 0.988 192 G CA 0.186 45.344 45.100 0.097 0.000 0.659 192 G HN 1.367 nan 8.290 nan 0.000 0.522 193 I N -0.355 120.279 120.570 0.107 0.000 2.488 193 I HA 0.785 4.955 4.170 0.000 0.000 0.299 193 I C -2.275 173.928 176.117 0.145 0.000 0.984 193 I CA -2.946 58.422 61.300 0.112 0.000 1.250 193 I CB 1.301 39.362 38.000 0.102 0.000 1.389 193 I HN -0.118 nan 8.210 nan 0.000 0.488 194 P HA -0.045 nan 4.420 nan 0.000 0.262 194 P C -1.612 175.824 177.300 0.228 0.000 1.182 194 P CA 0.292 63.493 63.100 0.168 0.000 0.761 194 P CB 0.104 31.873 31.700 0.115 0.000 0.795 195 W N 4.844 126.185 121.300 0.068 0.000 2.311 195 W HA 0.198 4.859 4.660 0.000 0.000 0.310 195 W C -0.275 176.294 176.519 0.084 0.000 1.274 195 W CA -0.220 57.168 57.345 0.071 0.000 1.215 195 W CB 0.448 29.938 29.460 0.051 0.000 1.227 195 W HN 0.377 nan 8.180 nan 0.000 0.523 196 E N 5.017 124.918 120.200 -0.498 0.000 2.204 196 E HA 0.474 4.825 4.350 0.000 0.000 0.276 196 E C -1.530 174.631 176.600 -0.732 0.000 0.974 196 E CA -1.219 54.900 56.400 -0.469 0.000 0.815 196 E CB 2.094 31.638 29.700 -0.261 0.000 1.119 196 E HN 0.349 nan 8.360 nan 0.000 0.393 197 L N 2.756 123.694 121.223 -0.475 0.000 2.438 197 L HA 0.301 4.641 4.340 0.000 0.000 0.270 197 L C -0.961 175.865 176.870 -0.075 0.000 0.972 197 L CA -0.900 53.697 54.840 -0.405 0.000 0.831 197 L CB 1.569 43.252 42.059 -0.627 0.000 1.273 197 L HN 0.238 nan 8.230 nan 0.000 0.405 198 K N 3.782 124.180 120.400 -0.003 0.000 2.491 198 K HA 0.026 4.346 4.320 0.000 0.000 0.279 198 K C -0.336 176.190 176.600 -0.123 0.000 1.026 198 K CA 0.366 56.530 56.287 -0.204 0.000 1.070 198 K CB -0.059 32.304 32.500 -0.227 0.000 0.887 198 K HN 0.720 nan 8.250 nan 0.000 0.481 199 C N 8.478 127.703 119.300 -0.125 0.000 2.601 199 C HA 0.165 4.626 4.460 0.000 0.000 0.405 199 C C -2.091 172.903 174.990 0.008 0.000 1.441 199 C CA -1.508 57.505 59.018 -0.009 0.000 1.555 199 C CB -0.842 26.892 27.740 -0.010 0.000 2.450 199 C HN 0.692 nan 8.230 nan 0.000 0.614 200 P HA 0.187 nan 4.420 nan 0.000 0.275 200 P C -0.449 176.874 177.300 0.040 0.000 1.228 200 P CA 0.034 63.154 63.100 0.033 0.000 0.786 200 P CB 0.512 32.233 31.700 0.036 0.000 0.927 201 K N 0.992 121.407 120.400 0.024 0.000 2.120 201 K HA 0.429 4.749 4.320 0.000 0.000 0.245 201 K C -0.589 176.024 176.600 0.021 0.000 1.024 201 K CA -0.503 55.800 56.287 0.026 0.000 0.906 201 K CB 0.629 33.138 32.500 0.015 0.000 1.051 201 K HN 0.183 nan 8.250 nan 0.000 0.491 202 V N 2.833 122.760 119.914 0.022 0.000 2.525 202 V HA 0.353 4.473 4.120 0.000 0.000 0.299 202 V C -0.249 175.845 176.094 0.000 0.000 1.034 202 V CA -0.794 61.528 62.300 0.036 0.000 0.863 202 V CB 1.456 33.361 31.823 0.137 0.000 0.999 202 V HN 0.566 nan 8.190 nan 0.000 0.423 203 I N 3.799 124.309 120.570 -0.100 0.000 2.315 203 I HA 0.558 4.729 4.170 0.000 0.000 0.291 203 I C 0.972 176.833 176.117 -0.427 0.000 1.006 203 I CA 0.060 61.242 61.300 -0.196 0.000 1.265 203 I CB 1.453 39.349 38.000 -0.173 0.000 1.387 203 I HN 0.745 nan 8.210 nan 0.000 0.475 204 G N 5.896 114.307 108.800 -0.648 0.000 2.322 204 G HA2 0.515 4.475 3.960 0.000 0.000 0.309 204 G HA3 0.515 4.475 3.960 0.000 0.000 0.309 204 G C -0.667 173.887 174.900 -0.576 0.000 1.121 204 G CA -0.297 44.189 45.100 -1.024 0.000 0.886 204 G HN 0.361 nan 8.290 nan 0.000 0.447 205 V N 3.209 122.698 119.914 -0.709 0.000 2.328 205 V HA 0.265 4.385 4.120 0.000 0.000 0.278 205 V C 0.475 176.109 176.094 -0.767 0.000 1.021 205 V CA -0.856 61.064 62.300 -0.633 0.000 0.838 205 V CB 1.151 32.531 31.823 -0.738 0.000 0.999 205 V HN 0.767 nan 8.190 nan 0.000 0.447 206 K N 5.783 125.767 120.400 -0.693 0.000 2.312 206 K HA 0.484 4.804 4.320 0.000 0.000 0.287 206 K C -0.885 175.534 176.600 -0.301 0.000 1.062 206 K CA -0.317 55.540 56.287 -0.715 0.000 0.934 206 K CB 0.461 32.769 32.500 -0.321 0.000 1.027 206 K HN 0.596 nan 8.250 nan 0.000 0.478 207 L N 3.438 124.543 121.223 -0.196 0.000 2.325 207 L HA 0.450 4.791 4.340 0.000 0.000 0.278 207 L C -0.043 176.818 176.870 -0.015 0.000 1.023 207 L CA -0.720 54.094 54.840 -0.043 0.000 0.811 207 L CB 2.075 44.165 42.059 0.052 0.000 1.249 207 L HN 0.707 nan 8.230 nan 0.000 0.431 208 T N 0.752 115.308 114.554 0.002 0.000 2.896 208 T HA 0.731 5.081 4.350 0.000 0.000 0.297 208 T C -0.032 174.679 174.700 0.018 0.000 1.108 208 T CA 0.349 62.456 62.100 0.012 0.000 1.004 208 T CB 2.080 70.950 68.868 0.005 0.000 1.159 208 T HN 1.040 nan 8.240 nan 0.000 0.499 209 G N 1.958 110.771 108.800 0.021 0.000 2.642 209 G HA2 -0.055 3.905 3.960 0.000 0.000 0.231 209 G HA3 -0.055 3.905 3.960 0.000 0.000 0.231 209 G C -0.705 174.207 174.900 0.020 0.000 1.338 209 G CA -0.277 44.835 45.100 0.020 0.000 0.883 209 G HN 1.173 nan 8.290 nan 0.000 0.570 210 S N -0.542 115.169 115.700 0.017 0.000 2.571 210 S HA 0.645 5.115 4.470 0.000 0.000 0.284 210 S C -0.065 174.541 174.600 0.010 0.000 1.128 210 S CA -0.737 57.471 58.200 0.013 0.000 0.970 210 S CB 1.785 64.992 63.200 0.010 0.000 1.039 210 S HN 0.766 nan 8.310 nan 0.000 0.485 211 L N 3.169 124.395 121.223 0.005 0.000 2.453 211 L HA 0.405 4.745 4.340 0.000 0.000 0.272 211 L C 0.642 177.512 176.870 0.001 0.000 1.182 211 L CA 0.161 55.002 54.840 0.003 0.000 0.858 211 L CB 0.574 42.628 42.059 -0.008 0.000 1.120 211 L HN 0.829 nan 8.230 nan 0.000 0.474 212 S N 1.632 117.339 115.700 0.010 0.000 2.536 212 S HA 0.867 5.337 4.470 0.000 0.000 0.287 212 S C 0.199 174.810 174.600 0.019 0.000 1.101 212 S CA -0.104 58.101 58.200 0.008 0.000 0.950 212 S CB 2.055 65.266 63.200 0.018 0.000 1.056 212 S HN 1.133 nan 8.310 nan 0.000 0.481 213 G N 2.465 111.254 108.800 -0.018 0.000 2.543 213 G HA2 -0.336 3.624 3.960 0.000 0.000 0.286 213 G HA3 -0.336 3.624 3.960 0.000 0.000 0.286 213 G C 0.356 175.197 174.900 -0.098 0.000 1.153 213 G CA 0.548 45.622 45.100 -0.044 0.000 0.968 213 G HN 0.897 nan 8.290 nan 0.000 0.544 214 W N 1.834 123.121 121.300 -0.023 0.000 2.678 214 W HA 0.326 4.986 4.660 0.000 0.000 0.256 214 W C 1.771 178.281 176.519 -0.016 0.000 1.280 214 W CA 1.041 58.371 57.345 -0.024 0.000 1.345 214 W CB -0.250 29.188 29.460 -0.036 0.000 1.118 214 W HN 0.443 nan 8.180 nan 0.000 0.629 215 T N 1.438 116.097 114.554 0.174 0.000 2.853 215 T HA 0.228 4.578 4.350 0.000 0.000 0.298 215 T C 0.478 175.206 174.700 0.047 0.000 0.978 215 T CA 0.157 62.318 62.100 0.101 0.000 1.152 215 T CB 0.615 69.525 68.868 0.069 0.000 0.914 215 T HN 0.020 nan 8.240 nan 0.000 0.539 216 S N 2.938 118.659 115.700 0.035 0.000 2.745 216 S HA 0.588 5.058 4.470 0.000 0.000 0.306 216 S C -2.235 172.352 174.600 -0.022 0.000 1.137 216 S CA -1.761 56.439 58.200 -0.000 0.000 0.900 216 S CB 1.528 64.732 63.200 0.006 0.000 1.176 216 S HN 0.235 nan 8.310 nan 0.000 0.520 217 P HA -0.151 nan 4.420 nan 0.000 0.216 217 P C 1.299 178.562 177.300 -0.061 0.000 1.154 217 P CA 1.569 64.625 63.100 -0.073 0.000 0.865 217 P CB -0.014 31.619 31.700 -0.112 0.000 0.789 218 K N -0.003 120.372 120.400 -0.042 0.000 2.160 218 K HA -0.189 4.131 4.320 0.000 0.000 0.206 218 K C 1.395 177.979 176.600 -0.027 0.000 1.047 218 K CA 1.734 58.005 56.287 -0.028 0.000 0.930 218 K CB -1.060 31.437 32.500 -0.005 0.000 0.720 218 K HN 0.079 nan 8.250 nan 0.000 0.450 219 D N -0.681 119.699 120.400 -0.033 0.000 2.317 219 D HA -0.058 4.582 4.640 0.000 0.000 0.211 219 D C 1.602 177.810 176.300 -0.154 0.000 0.966 219 D CA 0.646 54.596 54.000 -0.083 0.000 0.876 219 D CB 0.246 41.021 40.800 -0.041 0.000 0.927 219 D HN 0.062 nan 8.370 nan 0.000 0.519 220 V N 0.821 120.684 119.914 -0.084 0.000 2.407 220 V HA -0.123 3.997 4.120 0.000 0.000 0.245 220 V C 2.201 178.284 176.094 -0.019 0.000 1.041 220 V CA 0.698 62.967 62.300 -0.052 0.000 1.040 220 V CB -0.029 31.784 31.823 -0.017 0.000 0.671 220 V HN 0.108 nan 8.190 nan 0.000 0.455 221 I N -0.495 120.066 120.570 -0.016 0.000 2.876 221 I HA -0.007 4.163 4.170 0.000 0.000 0.264 221 I C 1.899 178.018 176.117 0.004 0.000 1.204 221 I CA 1.260 62.571 61.300 0.019 0.000 1.485 221 I CB -0.247 37.762 38.000 0.016 0.000 1.103 221 I HN 0.142 nan 8.210 nan 0.000 0.446 222 L N -0.064 121.145 121.223 -0.023 0.000 2.093 222 L HA -0.163 4.177 4.340 0.000 0.000 0.208 222 L C 2.428 179.293 176.870 -0.007 0.000 1.085 222 L CA 1.159 55.999 54.840 0.001 0.000 0.755 222 L CB -0.614 41.469 42.059 0.039 0.000 0.904 222 L HN 0.148 nan 8.230 nan 0.000 0.435 223 K N 0.212 120.540 120.400 -0.119 0.000 2.025 223 K HA -0.102 4.218 4.320 0.000 0.000 0.207 223 K C 1.854 178.449 176.600 -0.009 0.000 1.049 223 K CA 1.411 57.637 56.287 -0.102 0.000 0.933 223 K CB -0.401 31.956 32.500 -0.239 0.000 0.714 223 K HN -0.010 nan 8.250 nan 0.000 0.438 224 V N 1.058 120.975 119.914 0.005 0.000 2.427 224 V HA -0.198 3.922 4.120 0.000 0.000 0.248 224 V C 2.320 178.429 176.094 0.026 0.000 1.051 224 V CA 1.866 64.179 62.300 0.022 0.000 1.048 224 V CB -0.789 31.071 31.823 0.062 0.000 0.666 224 V HN 0.489 nan 8.190 nan 0.000 0.456 225 A N 0.552 123.391 122.820 0.032 0.000 1.908 225 A HA -0.132 4.188 4.320 0.000 0.000 0.218 225 A C 2.418 180.021 177.584 0.031 0.000 1.181 225 A CA 2.042 54.099 52.037 0.033 0.000 0.627 225 A CB -1.227 17.792 19.000 0.032 0.000 0.818 225 A HN 0.531 nan 8.150 nan 0.000 0.445 226 G N -0.337 108.484 108.800 0.034 0.000 2.422 226 G HA2 -0.136 3.825 3.960 0.000 0.000 0.218 226 G HA3 -0.136 3.825 3.960 0.000 0.000 0.218 226 G C 1.510 176.431 174.900 0.036 0.000 1.140 226 G CA 1.051 46.173 45.100 0.036 0.000 0.775 226 G HN 0.485 nan 8.290 nan 0.000 0.545 227 I N -0.487 120.103 120.570 0.033 0.000 2.286 227 I HA -0.026 4.144 4.170 0.000 0.000 0.245 227 I C 2.253 178.380 176.117 0.017 0.000 1.104 227 I CA 0.556 61.871 61.300 0.025 0.000 1.397 227 I CB 0.044 38.053 38.000 0.014 0.000 1.072 227 I HN 0.098 nan 8.210 nan 0.000 0.417 228 L N 0.047 121.279 121.223 0.015 0.000 2.513 228 L HA 0.113 4.454 4.340 0.000 0.000 0.222 228 L C 0.907 177.789 176.870 0.020 0.000 1.096 228 L CA 0.941 55.787 54.840 0.010 0.000 0.857 228 L CB -0.538 41.522 42.059 0.000 0.000 1.026 228 L HN 0.564 nan 8.230 nan 0.000 0.469 229 T N -5.032 109.538 114.554 0.027 0.000 0.541 229 T HA -0.250 4.100 4.350 0.000 0.000 0.774 229 T C 1.002 175.729 174.700 0.044 0.000 0.992 229 T CA 0.727 62.848 62.100 0.035 0.000 4.077 229 T CB -1.338 67.549 68.868 0.032 0.000 2.303 229 T HN 0.466 nan 8.240 nan 0.000 0.398 230 V N -0.950 118.998 119.914 0.058 0.000 3.078 230 V HA 0.129 4.249 4.120 0.000 0.000 0.265 230 V C 2.329 178.463 176.094 0.066 0.000 1.122 230 V CA 1.972 64.318 62.300 0.077 0.000 1.141 230 V CB -0.921 30.969 31.823 0.112 0.000 0.735 230 V HN 0.936 nan 8.190 nan 0.000 0.498 231 K N 0.731 121.160 120.400 0.049 0.000 2.367 231 K HA 0.206 4.526 4.320 0.000 0.000 0.194 231 K C 1.972 178.594 176.600 0.037 0.000 1.027 231 K CA 0.652 56.965 56.287 0.044 0.000 1.075 231 K CB 0.131 32.651 32.500 0.033 0.000 0.845 231 K HN 0.564 nan 8.250 nan 0.000 0.529 232 G N 0.025 108.843 108.800 0.031 0.000 2.471 232 G HA2 -0.138 3.822 3.960 0.000 0.000 0.219 232 G HA3 -0.138 3.822 3.960 0.000 0.000 0.219 232 G C 1.110 176.018 174.900 0.014 0.000 1.125 232 G CA 0.699 45.810 45.100 0.019 0.000 0.775 232 G HN 0.369 nan 8.290 nan 0.000 0.548 233 G N -0.350 108.464 108.800 0.022 0.000 3.277 233 G HA2 0.271 4.231 3.960 0.000 0.000 0.243 233 G HA3 0.271 4.231 3.960 0.000 0.000 0.243 233 G C 0.472 175.388 174.900 0.027 0.000 1.107 233 G CA -0.047 45.062 45.100 0.015 0.000 0.771 233 G HN 0.233 nan 8.290 nan 0.000 0.544 234 T N 0.968 115.545 114.554 0.039 0.000 2.902 234 T HA 0.393 4.743 4.350 0.000 0.000 0.301 234 T C 1.521 176.245 174.700 0.041 0.000 1.012 234 T CA 1.033 63.164 62.100 0.051 0.000 1.151 234 T CB 0.950 69.857 68.868 0.064 0.000 0.946 234 T HN 0.898 nan 8.240 nan 0.000 0.542 235 G N 1.740 110.566 108.800 0.043 0.000 2.155 235 G HA2 -0.028 3.933 3.960 0.000 0.000 0.257 235 G HA3 -0.028 3.933 3.960 0.000 0.000 0.257 235 G C 0.122 175.034 174.900 0.020 0.000 0.983 235 G CA 0.017 45.134 45.100 0.028 0.000 0.676 235 G HN 1.209 nan 8.290 nan 0.000 0.528 236 A N -0.666 122.166 122.820 0.021 0.000 2.374 236 A HA 0.850 5.171 4.320 0.000 0.000 0.317 236 A C -0.003 177.587 177.584 0.011 0.000 1.094 236 A CA -0.728 51.315 52.037 0.010 0.000 0.765 236 A CB 1.304 20.301 19.000 -0.005 0.000 1.268 236 A HN 0.599 nan 8.150 nan 0.000 0.438 237 I N 1.457 122.031 120.570 0.007 0.000 2.440 237 I HA 0.308 4.478 4.170 0.000 0.000 0.294 237 I C -0.480 175.612 176.117 -0.040 0.000 0.995 237 I CA -0.608 60.694 61.300 0.003 0.000 1.306 237 I CB 1.739 39.748 38.000 0.015 0.000 1.407 237 I HN 0.312 nan 8.210 nan 0.000 0.501 238 V N 5.672 125.550 119.914 -0.060 0.000 2.394 238 V HA 0.268 4.388 4.120 0.000 0.000 0.282 238 V C -0.080 175.873 176.094 -0.235 0.000 1.031 238 V CA -0.586 61.602 62.300 -0.188 0.000 0.881 238 V CB 1.115 32.827 31.823 -0.184 0.000 0.982 238 V HN 0.668 nan 8.190 nan 0.000 0.451 239 E N 3.647 123.619 120.200 -0.379 0.000 2.129 239 E HA 0.419 4.770 4.350 0.000 0.000 0.268 239 E C -1.489 174.782 176.600 -0.547 0.000 0.900 239 E CA -0.519 55.690 56.400 -0.318 0.000 0.755 239 E CB 1.552 31.170 29.700 -0.137 0.000 1.117 239 E HN 0.638 nan 8.360 nan 0.000 0.410 240 Y N 3.310 123.310 120.300 -0.500 0.000 2.299 240 Y HA 0.233 4.783 4.550 0.000 0.000 0.326 240 Y C 0.953 176.663 175.900 -0.316 0.000 1.164 240 Y CA -0.060 57.653 58.100 -0.644 0.000 1.234 240 Y CB 0.808 38.394 38.460 -1.457 0.000 1.219 240 Y HN 0.514 nan 8.280 nan 0.000 0.497 241 H N -0.540 118.451 119.070 -0.132 0.000 2.918 241 H HA 0.685 5.241 4.556 0.000 0.000 0.303 241 H C -0.134 175.209 175.328 0.025 0.000 1.380 241 H CA -1.026 55.013 56.048 -0.016 0.000 1.134 241 H CB 1.286 31.055 29.762 0.011 0.000 1.842 241 H HN 0.947 nan 8.280 nan 0.000 0.533 242 G N -0.177 108.743 108.800 0.199 0.000 2.661 242 G HA2 -0.162 3.798 3.960 0.000 0.000 0.685 242 G HA3 -0.162 3.798 3.960 0.000 0.000 0.685 242 G C -2.434 172.521 174.900 0.093 0.000 1.298 242 G CA -0.299 44.872 45.100 0.118 0.000 0.855 242 G HN 0.486 nan 8.290 nan 0.000 0.560 243 P HA 0.015 nan 4.420 nan 0.000 0.219 243 P C 1.972 179.308 177.300 0.059 0.000 1.146 243 P CA 2.029 65.166 63.100 0.061 0.000 0.808 243 P CB -0.077 31.651 31.700 0.047 0.000 0.779 244 G N -0.442 108.392 108.800 0.057 0.000 2.471 244 G HA2 -0.172 3.788 3.960 0.000 0.000 0.219 244 G HA3 -0.172 3.788 3.960 0.000 0.000 0.219 244 G C 1.522 176.478 174.900 0.093 0.000 1.125 244 G CA 0.244 45.380 45.100 0.060 0.000 0.775 244 G HN 0.145 nan 8.290 nan 0.000 0.548 245 V N 1.844 121.842 119.914 0.139 0.000 2.380 245 V HA -0.193 3.927 4.120 0.000 0.000 0.251 245 V C 2.305 178.470 176.094 0.119 0.000 1.063 245 V CA 2.105 64.540 62.300 0.224 0.000 1.055 245 V CB -0.305 31.689 31.823 0.285 0.000 0.657 245 V HN 0.411 nan 8.190 nan 0.000 0.455 246 D N 0.261 120.711 120.400 0.084 0.000 2.348 246 D HA -0.079 4.561 4.640 0.000 0.000 0.216 246 D C 2.196 178.514 176.300 0.031 0.000 0.970 246 D CA 1.380 55.413 54.000 0.054 0.000 0.889 246 D CB -0.084 40.751 40.800 0.058 0.000 0.912 246 D HN 0.655 nan 8.370 nan 0.000 0.524 247 S N 0.015 115.729 115.700 0.023 0.000 2.603 247 S HA 0.052 4.522 4.470 0.000 0.000 0.220 247 S C 0.868 175.455 174.600 -0.022 0.000 0.967 247 S CA -0.261 57.943 58.200 0.007 0.000 0.920 247 S CB -0.180 63.028 63.200 0.012 0.000 0.773 247 S HN 0.107 nan 8.310 nan 0.000 0.529 248 I N 2.802 123.341 120.570 -0.052 0.000 2.404 248 I HA 0.332 4.502 4.170 0.000 0.000 0.293 248 I C 0.432 176.459 176.117 -0.149 0.000 0.992 248 I CA -0.817 60.411 61.300 -0.120 0.000 1.149 248 I CB 2.026 39.910 38.000 -0.194 0.000 1.315 248 I HN 0.178 nan 8.210 nan 0.000 0.446 249 S N 3.400 119.019 115.700 -0.135 0.000 2.589 249 S HA -0.002 4.468 4.470 0.000 0.000 0.265 249 S C 1.187 175.656 174.600 -0.218 0.000 1.342 249 S CA -0.681 57.444 58.200 -0.126 0.000 1.005 249 S CB 1.221 64.380 63.200 -0.069 0.000 0.909 249 S HN 0.891 nan 8.310 nan 0.000 0.555 250 C N 1.774 120.945 119.300 -0.214 0.000 2.413 250 C HA -0.090 4.371 4.460 0.000 0.000 0.276 250 C C 2.947 177.691 174.990 -0.410 0.000 1.248 250 C CA 1.662 60.480 59.018 -0.335 0.000 1.742 250 C CB -2.172 25.353 27.740 -0.360 0.000 2.017 250 C HN 1.054 nan 8.230 nan 0.000 0.481 251 T N -1.935 112.408 114.554 -0.352 0.000 2.995 251 T HA 0.099 4.449 4.350 0.000 0.000 0.269 251 T C 1.849 176.422 174.700 -0.211 0.000 1.091 251 T CA 1.459 63.397 62.100 -0.271 0.000 1.128 251 T CB -0.633 68.155 68.868 -0.132 0.000 0.891 251 T HN 0.597 nan 8.240 nan 0.000 0.492 252 G N 1.263 109.932 108.800 -0.219 0.000 2.408 252 G HA2 0.020 3.980 3.960 0.000 0.000 0.215 252 G HA3 0.020 3.980 3.960 0.000 0.000 0.215 252 G C 1.595 176.297 174.900 -0.329 0.000 1.156 252 G CA 0.379 45.347 45.100 -0.219 0.000 0.793 252 G HN 0.449 nan 8.290 nan 0.000 0.535 253 M N 0.921 120.212 119.600 -0.515 0.000 2.159 253 M HA -0.000 4.480 4.480 0.000 0.000 0.263 253 M C 3.027 179.065 176.300 -0.437 0.000 1.063 253 M CA 1.351 56.136 55.300 -0.859 0.000 1.110 253 M CB -0.265 31.625 32.600 -1.183 0.000 1.374 253 M HN 0.314 nan 8.290 nan 0.000 0.411 254 A N 0.022 122.661 122.820 -0.302 0.000 1.933 254 A HA -0.130 4.191 4.320 0.000 0.000 0.218 254 A C 2.192 179.690 177.584 -0.143 0.000 1.175 254 A CA 2.106 54.032 52.037 -0.185 0.000 0.628 254 A CB -1.075 17.810 19.000 -0.191 0.000 0.814 254 A HN 0.437 nan 8.150 nan 0.000 0.444 255 T N 0.533 114.996 114.554 -0.152 0.000 2.684 255 T HA -0.126 4.225 4.350 0.000 0.000 0.267 255 T C 1.783 176.427 174.700 -0.095 0.000 1.036 255 T CA 1.623 63.655 62.100 -0.114 0.000 1.148 255 T CB -0.438 68.367 68.868 -0.106 0.000 0.863 255 T HN 0.452 nan 8.240 nan 0.000 0.436 256 I N 0.622 121.118 120.570 -0.123 0.000 2.226 256 I HA -0.186 3.984 4.170 0.000 0.000 0.245 256 I C 2.634 178.736 176.117 -0.026 0.000 1.100 256 I CA 0.875 62.112 61.300 -0.106 0.000 1.374 256 I CB -0.501 37.372 38.000 -0.212 0.000 1.057 256 I HN 0.342 nan 8.210 nan 0.000 0.413 257 C N 0.371 119.678 119.300 0.011 0.000 2.446 257 C HA -0.119 4.342 4.460 0.000 0.000 0.277 257 C C 2.727 177.745 174.990 0.047 0.000 1.275 257 C CA 0.732 59.804 59.018 0.089 0.000 1.727 257 C CB -1.366 26.437 27.740 0.105 0.000 2.010 257 C HN 0.580 nan 8.230 nan 0.000 0.486 258 N N 1.205 119.900 118.700 -0.009 0.000 2.007 258 N HA -0.158 4.582 4.740 0.000 0.000 0.197 258 N C 1.623 177.178 175.510 0.073 0.000 1.050 258 N CA 1.710 54.755 53.050 -0.010 0.000 0.856 258 N CB -0.500 37.930 38.487 -0.094 0.000 1.050 258 N HN 0.476 nan 8.380 nan 0.000 0.423 259 M N 0.367 119.982 119.600 0.024 0.000 2.722 259 M HA 0.048 4.528 4.480 0.000 0.000 0.238 259 M C 1.416 177.766 176.300 0.083 0.000 1.098 259 M CA 0.355 55.686 55.300 0.052 0.000 1.062 259 M CB -0.171 32.428 32.600 -0.001 0.000 1.573 259 M HN 0.205 nan 8.290 nan 0.000 0.531 260 G N -0.165 108.690 108.800 0.093 0.000 2.470 260 G HA2 -0.179 3.781 3.960 0.000 0.000 0.220 260 G HA3 -0.179 3.781 3.960 0.000 0.000 0.220 260 G C 1.441 176.388 174.900 0.078 0.000 1.121 260 G CA 0.789 45.949 45.100 0.099 0.000 0.766 260 G HN 0.607 nan 8.290 nan 0.000 0.553 261 A N 0.817 123.687 122.820 0.083 0.000 1.978 261 A HA -0.043 4.277 4.320 0.000 0.000 0.220 261 A C 2.143 179.757 177.584 0.049 0.000 1.170 261 A CA 2.017 54.072 52.037 0.031 0.000 0.636 261 A CB -0.256 18.705 19.000 -0.064 0.000 0.810 261 A HN 0.324 nan 8.150 nan 0.000 0.448 262 E N -0.406 119.844 120.200 0.083 0.000 2.418 262 E HA -0.048 4.302 4.350 0.000 0.000 0.197 262 E C 1.498 178.146 176.600 0.081 0.000 1.026 262 E CA 0.939 57.388 56.400 0.081 0.000 0.862 262 E CB -0.303 29.434 29.700 0.061 0.000 0.799 262 E HN 0.901 nan 8.360 nan 0.000 0.518 263 I N -4.791 115.819 120.570 0.068 0.000 3.875 263 I HA 0.403 4.573 4.170 0.000 0.000 0.329 263 I C 1.170 177.323 176.117 0.059 0.000 1.295 263 I CA 0.403 61.739 61.300 0.060 0.000 1.129 263 I CB 0.206 38.232 38.000 0.043 0.000 1.008 263 I HN 0.051 nan 8.210 nan 0.000 0.413 264 G N 1.445 110.284 108.800 0.065 0.000 2.159 264 G HA2 -0.250 3.710 3.960 0.000 0.000 0.256 264 G HA3 -0.250 3.710 3.960 0.000 0.000 0.256 264 G C 0.476 175.411 174.900 0.057 0.000 0.977 264 G CA -0.022 45.119 45.100 0.067 0.000 0.652 264 G HN 0.956 nan 8.290 nan 0.000 0.531 265 A N -0.059 122.790 122.820 0.047 0.000 2.511 265 A HA 0.607 4.928 4.320 0.000 0.000 0.242 265 A C 1.652 179.265 177.584 0.049 0.000 1.069 265 A CA 1.475 53.536 52.037 0.041 0.000 0.763 265 A CB 0.211 19.233 19.000 0.036 0.000 1.001 265 A HN 0.738 nan 8.150 nan 0.000 0.498 266 T N 0.694 115.280 114.554 0.053 0.000 2.759 266 T HA 0.037 4.387 4.350 0.000 0.000 0.269 266 T C 0.903 175.646 174.700 0.071 0.000 1.042 266 T CA 2.116 64.259 62.100 0.072 0.000 1.140 266 T CB -0.200 68.712 68.868 0.073 0.000 0.864 266 T HN 1.011 nan 8.240 nan 0.000 0.455 267 T N -0.973 113.616 114.554 0.057 0.000 2.669 267 T HA 0.410 4.761 4.350 0.000 0.000 0.305 267 T C -2.009 172.727 174.700 0.060 0.000 1.838 267 T CA -0.707 61.425 62.100 0.054 0.000 0.978 267 T CB 1.155 70.057 68.868 0.056 0.000 1.851 267 T HN 0.003 nan 8.240 nan 0.000 0.503 268 S N 0.325 116.076 115.700 0.084 0.000 2.568 268 S HA 0.909 5.379 4.470 0.000 0.000 0.293 268 S C -1.327 173.366 174.600 0.155 0.000 1.089 268 S CA -0.642 57.639 58.200 0.134 0.000 0.945 268 S CB 1.886 65.221 63.200 0.224 0.000 1.077 268 S HN 0.820 nan 8.310 nan 0.000 0.485 269 V N 2.557 122.575 119.914 0.172 0.000 3.048 269 V HA 0.662 4.783 4.120 0.000 0.000 0.303 269 V C -2.067 174.140 176.094 0.188 0.000 1.214 269 V CA -0.667 61.750 62.300 0.195 0.000 0.984 269 V CB 1.817 33.715 31.823 0.125 0.000 1.054 269 V HN 0.845 nan 8.190 nan 0.000 0.430 270 F N 6.147 126.181 119.950 0.141 0.000 2.470 270 F HA 0.703 5.230 4.527 0.000 0.000 0.329 270 F C -1.953 173.931 175.800 0.140 0.000 1.072 270 F CA -1.969 56.116 58.000 0.141 0.000 0.989 270 F CB 2.341 41.378 39.000 0.061 0.000 1.193 270 F HN 0.354 nan 8.300 nan 0.000 0.481 271 P HA -0.026 nan 4.420 nan 0.000 0.275 271 P C -1.039 176.424 177.300 0.271 0.000 1.228 271 P CA -0.148 63.102 63.100 0.250 0.000 0.786 271 P CB 0.534 32.352 31.700 0.196 0.000 0.927 272 Y N 4.409 124.794 120.300 0.141 0.000 2.721 272 Y HA 0.067 4.617 4.550 0.000 0.000 0.329 272 Y C 0.279 176.251 175.900 0.120 0.000 1.211 272 Y CA 0.537 58.714 58.100 0.127 0.000 1.512 272 Y CB -0.412 38.116 38.460 0.114 0.000 1.249 272 Y HN 0.528 nan 8.280 nan 0.000 0.549 273 N N 2.145 120.573 118.700 -0.453 0.000 3.316 273 N HA 0.126 4.866 4.740 0.000 0.000 0.300 273 N C 0.677 175.937 175.510 -0.418 0.000 1.567 273 N CA -0.403 52.416 53.050 -0.387 0.000 0.821 273 N CB 0.114 38.554 38.487 -0.078 0.000 1.748 273 N HN 0.633 nan 8.380 nan 0.000 0.603 274 H N -0.100 118.829 119.070 -0.236 0.000 2.290 274 H HA -0.001 4.556 4.556 0.000 0.000 0.298 274 H C 0.827 176.118 175.328 -0.062 0.000 1.087 274 H CA 1.775 57.742 56.048 -0.134 0.000 1.291 274 H CB 0.303 30.020 29.762 -0.075 0.000 1.369 274 H HN 0.360 nan 8.280 nan 0.000 0.492 275 R N 0.183 120.495 120.500 -0.313 0.000 2.115 275 R HA -0.089 4.251 4.340 0.000 0.000 0.230 275 R C 2.564 178.786 176.300 -0.129 0.000 1.111 275 R CA 0.831 56.780 56.100 -0.252 0.000 0.976 275 R CB -0.607 29.618 30.300 -0.124 0.000 0.870 275 R HN 0.485 nan 8.270 nan 0.000 0.445 276 M N 0.723 120.281 119.600 -0.069 0.000 2.117 276 M HA -0.159 4.321 4.480 0.000 0.000 0.262 276 M C 2.388 178.793 176.300 0.174 0.000 1.065 276 M CA 1.609 56.965 55.300 0.094 0.000 1.114 276 M CB -0.341 32.381 32.600 0.202 0.000 1.361 276 M HN 0.044 nan 8.290 nan 0.000 0.408 277 K N 1.025 121.465 120.400 0.067 0.000 2.032 277 K HA -0.241 4.080 4.320 0.000 0.000 0.209 277 K C 2.023 178.662 176.600 0.065 0.000 1.048 277 K CA 1.784 58.150 56.287 0.131 0.000 0.927 277 K CB -0.148 32.382 32.500 0.050 0.000 0.712 277 K HN 0.170 nan 8.250 nan 0.000 0.441 278 K N -0.520 119.836 120.400 -0.073 0.000 2.097 278 K HA -0.217 4.103 4.320 0.000 0.000 0.206 278 K C 2.088 178.722 176.600 0.057 0.000 1.049 278 K CA 1.432 57.689 56.287 -0.051 0.000 0.933 278 K CB -0.269 32.111 32.500 -0.199 0.000 0.717 278 K HN 0.306 nan 8.250 nan 0.000 0.442 279 Y N 1.193 121.482 120.300 -0.017 0.000 2.263 279 Y HA -0.124 4.426 4.550 0.000 0.000 0.292 279 Y C 1.787 177.727 175.900 0.067 0.000 1.130 279 Y CA 1.218 59.339 58.100 0.036 0.000 1.179 279 Y CB 0.055 38.536 38.460 0.035 0.000 0.998 279 Y HN -0.020 nan 8.280 nan 0.000 0.532 280 L N -0.873 120.456 121.223 0.176 0.000 1.989 280 L HA -0.285 4.055 4.340 0.000 0.000 0.211 280 L C 2.559 179.437 176.870 0.014 0.000 1.071 280 L CA 1.756 56.653 54.840 0.094 0.000 0.749 280 L CB -0.821 41.342 42.059 0.174 0.000 0.890 280 L HN 0.100 nan 8.230 nan 0.000 0.431 281 S N -0.382 115.340 115.700 0.037 0.000 2.359 281 S HA -0.247 4.223 4.470 0.000 0.000 0.224 281 S C 1.960 176.547 174.600 -0.023 0.000 1.035 281 S CA 1.562 59.772 58.200 0.017 0.000 1.018 281 S CB -0.292 62.925 63.200 0.028 0.000 0.876 281 S HN 0.195 nan 8.310 nan 0.000 0.448 282 K N 1.844 122.210 120.400 -0.057 0.000 2.360 282 K HA -0.053 4.267 4.320 0.000 0.000 0.201 282 K C 1.235 177.809 176.600 -0.043 0.000 1.046 282 K CA 1.359 57.598 56.287 -0.081 0.000 0.945 282 K CB -0.536 31.889 32.500 -0.124 0.000 0.750 282 K HN 0.528 nan 8.250 nan 0.000 0.464 283 T N -3.548 110.929 114.554 -0.128 0.000 3.269 283 T HA 0.376 4.726 4.350 0.000 0.000 0.269 283 T C 0.878 175.552 174.700 -0.043 0.000 0.993 283 T CA -0.138 61.883 62.100 -0.131 0.000 0.909 283 T CB 0.126 68.777 68.868 -0.361 0.000 1.115 283 T HN 0.233 nan 8.240 nan 0.000 0.543 284 G N 2.221 111.038 108.800 0.028 0.000 2.153 284 G HA2 -0.294 3.666 3.960 0.000 0.000 0.252 284 G HA3 -0.294 3.666 3.960 0.000 0.000 0.252 284 G C 0.453 175.457 174.900 0.172 0.000 0.994 284 G CA 0.009 45.180 45.100 0.118 0.000 0.698 284 G HN 0.613 nan 8.290 nan 0.000 0.521 285 R N -0.481 120.069 120.500 0.084 0.000 2.748 285 R HA 0.540 4.880 4.340 0.000 0.000 0.395 285 R C 2.062 178.401 176.300 0.065 0.000 1.128 285 R CA 0.367 56.518 56.100 0.085 0.000 1.042 285 R CB 0.273 30.595 30.300 0.038 0.000 1.392 285 R HN 0.347 nan 8.270 nan 0.000 0.582 286 A N 1.518 124.370 122.820 0.053 0.000 1.972 286 A HA -0.216 4.104 4.320 0.000 0.000 0.219 286 A C 1.642 179.261 177.584 0.059 0.000 1.169 286 A CA 1.830 53.901 52.037 0.056 0.000 0.635 286 A CB -0.147 18.876 19.000 0.038 0.000 0.810 286 A HN 0.440 nan 8.150 nan 0.000 0.446 287 D N 0.466 120.889 120.400 0.039 0.000 2.178 287 D HA -0.161 4.479 4.640 0.000 0.000 0.201 287 D C 1.692 178.011 176.300 0.031 0.000 0.980 287 D CA 1.221 55.239 54.000 0.029 0.000 0.842 287 D CB -0.634 40.169 40.800 0.005 0.000 0.948 287 D HN 0.541 nan 8.370 nan 0.000 0.472 288 I N 0.907 121.493 120.570 0.026 0.000 2.286 288 I HA -0.135 4.036 4.170 0.000 0.000 0.245 288 I C 2.678 178.838 176.117 0.072 0.000 1.104 288 I CA 0.906 62.207 61.300 0.001 0.000 1.397 288 I CB -0.281 37.711 38.000 -0.014 0.000 1.072 288 I HN 0.013 nan 8.210 nan 0.000 0.417 289 A N 1.152 124.041 122.820 0.115 0.000 1.902 289 A HA -0.215 4.105 4.320 0.000 0.000 0.217 289 A C 2.054 179.761 177.584 0.205 0.000 1.181 289 A CA 1.842 53.996 52.037 0.196 0.000 0.623 289 A CB -0.639 18.489 19.000 0.214 0.000 0.818 289 A HN 0.408 nan 8.150 nan 0.000 0.443 290 N N -0.299 118.490 118.700 0.147 0.000 2.142 290 N HA -0.125 4.616 4.740 0.000 0.000 0.186 290 N C 1.599 177.206 175.510 0.161 0.000 1.023 290 N CA 1.467 54.600 53.050 0.139 0.000 0.852 290 N CB -0.528 38.015 38.487 0.094 0.000 0.998 290 N HN 0.412 nan 8.380 nan 0.000 0.424 291 L N 1.238 122.563 121.223 0.169 0.000 2.093 291 L HA 0.021 4.361 4.340 0.000 0.000 0.208 291 L C 2.082 179.190 176.870 0.397 0.000 1.085 291 L CA 1.306 56.317 54.840 0.284 0.000 0.755 291 L CB -0.793 41.397 42.059 0.219 0.000 0.904 291 L HN 0.106 nan 8.230 nan 0.000 0.435 292 A N -0.896 122.068 122.820 0.239 0.000 1.933 292 A HA -0.202 4.118 4.320 0.000 0.000 0.218 292 A C 1.955 179.577 177.584 0.064 0.000 1.175 292 A CA 1.775 53.785 52.037 -0.045 0.000 0.628 292 A CB -0.719 17.926 19.000 -0.591 0.000 0.814 292 A HN 0.509 nan 8.150 nan 0.000 0.444 293 D N -0.154 120.403 120.400 0.262 0.000 2.117 293 D HA -0.129 4.512 4.640 0.000 0.000 0.197 293 D C 1.855 178.254 176.300 0.165 0.000 0.987 293 D CA 1.247 55.434 54.000 0.311 0.000 0.829 293 D CB -0.368 40.578 40.800 0.244 0.000 0.961 293 D HN 0.601 nan 8.370 nan 0.000 0.460 294 E N -0.802 119.479 120.200 0.136 0.000 2.150 294 E HA -0.098 4.252 4.350 0.000 0.000 0.193 294 E C 0.860 177.370 176.600 -0.149 0.000 0.985 294 E CA 0.576 56.972 56.400 -0.007 0.000 0.814 294 E CB 0.020 29.731 29.700 0.019 0.000 0.752 294 E HN 0.313 nan 8.360 nan 0.000 0.466 295 F N 0.095 120.035 119.950 -0.016 0.000 2.668 295 F HA 0.189 4.716 4.527 0.000 0.000 0.301 295 F C 1.714 177.440 175.800 -0.123 0.000 1.106 295 F CA -0.231 57.719 58.000 -0.082 0.000 1.289 295 F CB 0.386 39.262 39.000 -0.207 0.000 1.006 295 F HN -0.204 nan 8.300 nan 0.000 0.535 296 K N 1.078 121.536 120.400 0.096 0.000 2.286 296 K HA -0.198 4.122 4.320 0.000 0.000 0.203 296 K C 1.400 178.036 176.600 0.060 0.000 1.045 296 K CA 1.963 58.344 56.287 0.157 0.000 0.935 296 K CB -0.120 32.532 32.500 0.254 0.000 0.737 296 K HN 0.297 nan 8.250 nan 0.000 0.460 297 D N 0.141 120.495 120.400 -0.076 0.000 2.133 297 D HA -0.234 4.407 4.640 0.000 0.000 0.195 297 D C 1.319 177.502 176.300 -0.195 0.000 0.997 297 D CA 1.343 55.218 54.000 -0.209 0.000 0.840 297 D CB -0.556 40.005 40.800 -0.399 0.000 0.947 297 D HN 0.461 nan 8.370 nan 0.000 0.452 298 H N -0.340 118.767 119.070 0.063 0.000 2.548 298 H HA 0.260 4.816 4.556 0.000 0.000 0.265 298 H C 1.537 176.879 175.328 0.023 0.000 0.969 298 H CA 0.138 56.213 56.048 0.045 0.000 1.155 298 H CB 0.505 30.301 29.762 0.055 0.000 1.394 298 H HN 0.189 nan 8.280 nan 0.000 0.570 299 L N 0.826 122.123 121.223 0.123 0.000 2.910 299 L HA 0.204 4.545 4.340 0.000 0.000 0.252 299 L C 0.006 176.975 176.870 0.165 0.000 1.195 299 L CA -0.241 54.672 54.840 0.121 0.000 1.003 299 L CB 0.725 42.823 42.059 0.066 0.000 1.328 299 L HN -0.076 nan 8.230 nan 0.000 0.540 300 V N -4.144 115.848 119.914 0.130 0.000 3.078 300 V HA 0.680 4.801 4.120 0.000 0.000 0.311 300 V C -2.714 173.429 176.094 0.083 0.000 1.138 300 V CA -2.278 60.093 62.300 0.119 0.000 1.007 300 V CB 1.895 33.781 31.823 0.104 0.000 1.045 300 V HN -0.135 nan 8.190 nan 0.000 0.432 301 P HA 0.165 nan 4.420 nan 0.000 0.269 301 P C -0.835 176.466 177.300 0.001 0.000 1.215 301 P CA 0.211 63.327 63.100 0.025 0.000 0.780 301 P CB 0.522 32.232 31.700 0.016 0.000 0.898 302 D N 2.434 122.820 120.400 -0.022 0.000 2.382 302 D HA 0.204 4.844 4.640 0.000 0.000 0.245 302 D C -2.026 174.244 176.300 -0.050 0.000 1.120 302 D CA -1.214 52.772 54.000 -0.023 0.000 0.890 302 D CB -0.601 40.188 40.800 -0.019 0.000 1.201 302 D HN 0.203 nan 8.370 nan 0.000 0.433 303 P HA 0.127 nan 4.420 nan 0.000 0.264 303 P C 0.697 177.964 177.300 -0.056 0.000 1.193 303 P CA 0.504 63.581 63.100 -0.038 0.000 0.763 303 P CB 0.570 32.258 31.700 -0.019 0.000 0.810 304 G N 2.098 110.853 108.800 -0.076 0.000 2.143 304 G HA2 -0.268 3.693 3.960 0.000 0.000 0.249 304 G HA3 -0.268 3.693 3.960 0.000 0.000 0.249 304 G C 0.357 175.180 174.900 -0.128 0.000 0.981 304 G CA -0.147 44.904 45.100 -0.081 0.000 0.665 304 G HN 0.842 nan 8.290 nan 0.000 0.528 305 C N 0.289 119.460 119.300 -0.215 0.000 2.653 305 C HA 0.601 5.062 4.460 0.000 0.000 0.421 305 C C 0.933 175.665 174.990 -0.431 0.000 1.334 305 C CA -1.011 57.832 59.018 -0.291 0.000 1.885 305 C CB -0.051 27.477 27.740 -0.352 0.000 2.645 305 C HN 0.547 nan 8.230 nan 0.000 0.601 306 H N 2.549 121.412 119.070 -0.345 0.000 2.620 306 H HA 0.319 4.875 4.556 0.000 0.000 0.313 306 H C -1.215 173.945 175.328 -0.280 0.000 1.075 306 H CA -0.093 55.801 56.048 -0.258 0.000 1.397 306 H CB 0.313 30.009 29.762 -0.111 0.000 1.446 306 H HN 0.833 nan 8.280 nan 0.000 0.493 307 Y N 4.101 124.104 120.300 -0.496 0.000 2.360 307 Y HA 0.055 4.605 4.550 0.000 0.000 0.337 307 Y C 1.369 176.909 175.900 -0.601 0.000 1.039 307 Y CA -0.970 56.872 58.100 -0.431 0.000 1.109 307 Y CB 1.436 39.764 38.460 -0.221 0.000 1.201 307 Y HN 0.664 nan 8.280 nan 0.000 0.458 308 D N 1.215 121.484 120.400 -0.219 0.000 2.117 308 D HA -0.102 4.539 4.640 0.000 0.000 0.198 308 D C -0.121 176.149 176.300 -0.050 0.000 0.982 308 D CA 1.534 55.447 54.000 -0.144 0.000 0.828 308 D CB 0.356 41.133 40.800 -0.039 0.000 0.967 308 D HN 0.639 nan 8.370 nan 0.000 0.464 309 Q N 0.080 119.855 119.800 -0.042 0.000 2.356 309 Q HA 0.506 4.847 4.340 0.000 0.000 0.270 309 Q C -0.993 174.973 176.000 -0.056 0.000 1.058 309 Q CA -0.615 55.166 55.803 -0.035 0.000 0.802 309 Q CB 3.664 32.375 28.738 -0.045 0.000 1.303 309 Q HN -0.079 nan 8.270 nan 0.000 0.444 310 V N 2.620 122.512 119.914 -0.035 0.000 2.638 310 V HA 0.674 4.794 4.120 0.000 0.000 0.306 310 V C -1.437 174.620 176.094 -0.061 0.000 1.052 310 V CA -0.510 61.753 62.300 -0.062 0.000 0.885 310 V CB 1.440 33.280 31.823 0.029 0.000 0.999 310 V HN 0.767 nan 8.190 nan 0.000 0.424 311 I N 4.762 125.265 120.570 -0.113 0.000 2.530 311 I HA 0.600 4.770 4.170 0.000 0.000 0.297 311 I C -0.268 175.779 176.117 -0.118 0.000 1.011 311 I CA -0.381 60.859 61.300 -0.099 0.000 1.107 311 I CB 2.023 39.953 38.000 -0.115 0.000 1.285 311 I HN 0.801 nan 8.210 nan 0.000 0.436 312 E N 6.194 126.348 120.200 -0.076 0.000 2.210 312 E HA 0.512 4.862 4.350 0.000 0.000 0.266 312 E C -1.571 174.999 176.600 -0.049 0.000 0.883 312 E CA -0.682 55.672 56.400 -0.076 0.000 0.761 312 E CB 1.622 31.297 29.700 -0.042 0.000 1.156 312 E HN 0.301 nan 8.360 nan 0.000 0.412 313 I N 3.767 124.309 120.570 -0.047 0.000 2.418 313 I HA 0.204 4.375 4.170 0.000 0.000 0.287 313 I C -0.286 175.825 176.117 -0.009 0.000 1.008 313 I CA -0.686 60.602 61.300 -0.019 0.000 1.104 313 I CB 1.159 39.156 38.000 -0.005 0.000 1.264 313 I HN 0.593 nan 8.210 nan 0.000 0.438 314 N N 5.568 124.269 118.700 0.001 0.000 2.469 314 N HA 0.141 4.882 4.740 0.000 0.000 0.239 314 N C 0.901 176.418 175.510 0.011 0.000 1.053 314 N CA -0.595 52.460 53.050 0.008 0.000 0.937 314 N CB 0.840 39.335 38.487 0.012 0.000 1.163 314 N HN 0.385 nan 8.380 nan 0.000 0.509 315 L N 2.729 123.960 121.223 0.013 0.000 2.081 315 L HA -0.191 4.149 4.340 0.000 0.000 0.212 315 L C 2.204 179.084 176.870 0.016 0.000 1.080 315 L CA 1.574 56.422 54.840 0.013 0.000 0.754 315 L CB -0.812 41.258 42.059 0.018 0.000 0.893 315 L HN 0.616 nan 8.230 nan 0.000 0.433 316 S N -1.295 114.416 115.700 0.018 0.000 2.481 316 S HA -0.058 4.412 4.470 0.000 0.000 0.231 316 S C 1.510 176.126 174.600 0.027 0.000 0.996 316 S CA 0.582 58.794 58.200 0.021 0.000 0.942 316 S CB -0.062 63.150 63.200 0.019 0.000 0.768 316 S HN 0.415 nan 8.310 nan 0.000 0.520 317 E N 0.394 120.610 120.200 0.027 0.000 2.476 317 E HA 0.271 4.622 4.350 0.000 0.000 0.199 317 E C -0.006 176.621 176.600 0.045 0.000 1.021 317 E CA -0.183 56.238 56.400 0.035 0.000 0.907 317 E CB 0.052 29.770 29.700 0.031 0.000 0.974 317 E HN 0.323 nan 8.360 nan 0.000 0.489 318 L N 1.835 123.080 121.223 0.037 0.000 2.416 318 L HA 0.164 4.505 4.340 0.000 0.000 0.272 318 L C -0.087 176.826 176.870 0.071 0.000 1.161 318 L CA 0.163 55.027 54.840 0.039 0.000 0.845 318 L CB 0.455 42.507 42.059 -0.012 0.000 1.119 318 L HN -0.331 nan 8.230 nan 0.000 0.464 319 K N 5.392 125.873 120.400 0.134 0.000 2.185 319 K HA 0.595 4.915 4.320 0.000 0.000 0.240 319 K C -2.488 174.263 176.600 0.252 0.000 0.983 319 K CA -2.101 54.285 56.287 0.166 0.000 0.873 319 K CB 1.081 33.667 32.500 0.144 0.000 1.118 319 K HN 0.319 nan 8.250 nan 0.000 0.441 320 P HA 0.040 nan 4.420 nan 0.000 0.267 320 P C -0.819 176.644 177.300 0.271 0.000 1.205 320 P CA 0.403 63.618 63.100 0.192 0.000 0.765 320 P CB 0.420 32.174 31.700 0.090 0.000 0.828 321 H N 1.647 120.738 119.070 0.036 0.000 2.737 321 H HA 0.715 5.271 4.556 0.000 0.000 0.358 321 H C -0.541 174.825 175.328 0.063 0.000 1.187 321 H CA -0.950 55.127 56.048 0.048 0.000 1.221 321 H CB 2.364 32.146 29.762 0.034 0.000 1.799 321 H HN 0.299 nan 8.280 nan 0.000 0.568 322 I N 1.931 122.609 120.570 0.180 0.000 2.667 322 I HA 0.158 4.328 4.170 0.000 0.000 0.288 322 I C -1.800 174.441 176.117 0.207 0.000 1.267 322 I CA -0.574 60.849 61.300 0.205 0.000 1.055 322 I CB 1.455 39.584 38.000 0.215 0.000 1.294 322 I HN 0.487 nan 8.210 nan 0.000 0.429 323 N N 4.925 123.691 118.700 0.110 0.000 2.362 323 N HA 0.961 5.701 4.740 0.000 0.000 0.298 323 N C -0.262 175.114 175.510 -0.223 0.000 1.048 323 N CA -0.023 52.985 53.050 -0.069 0.000 0.858 323 N CB 2.178 40.627 38.487 -0.065 0.000 1.218 323 N HN 1.008 nan 8.380 nan 0.000 0.488 324 G N 0.797 109.343 108.800 -0.424 0.000 2.369 324 G HA2 0.052 4.012 3.960 0.000 0.000 0.295 324 G HA3 0.052 4.012 3.960 0.000 0.000 0.295 324 G C -2.669 171.608 174.900 -1.039 0.000 1.298 324 G CA -0.675 43.908 45.100 -0.860 0.000 0.940 324 G HN 0.358 nan 8.290 nan 0.000 0.536 325 P HA 0.326 nan 4.420 nan 0.000 0.264 325 P C 0.447 177.128 177.300 -1.031 0.000 1.259 325 P CA 0.504 62.789 63.100 -1.358 0.000 0.841 325 P CB 0.259 31.231 31.700 -1.212 0.000 1.232 326 F N -0.359 119.370 119.950 -0.369 0.000 2.831 326 F HA 0.197 4.724 4.527 0.000 0.000 0.334 326 F C 0.636 176.456 175.800 0.034 0.000 1.071 326 F CA 0.257 58.175 58.000 -0.137 0.000 1.172 326 F CB 0.407 39.341 39.000 -0.110 0.000 1.054 326 F HN -0.262 nan 8.300 nan 0.000 0.572 327 T N -0.649 113.963 114.554 0.096 0.000 2.863 327 T HA 0.289 4.639 4.350 0.000 0.000 0.285 327 T C -2.130 172.576 174.700 0.010 0.000 1.009 327 T CA -1.939 60.246 62.100 0.141 0.000 0.989 327 T CB 2.280 71.216 68.868 0.114 0.000 1.004 327 T HN -0.254 nan 8.240 nan 0.000 0.455 328 P HA 0.022 nan 4.420 nan 0.000 0.236 328 P C 0.387 177.677 177.300 -0.016 0.000 1.177 328 P CA 0.686 63.766 63.100 -0.032 0.000 0.773 328 P CB 0.122 31.798 31.700 -0.039 0.000 0.878 329 D N -1.002 119.405 120.400 0.012 0.000 2.368 329 D HA 0.014 4.655 4.640 0.000 0.000 0.218 329 D C 0.411 176.701 176.300 -0.016 0.000 1.112 329 D CA -0.381 53.626 54.000 0.011 0.000 0.834 329 D CB -0.729 40.093 40.800 0.038 0.000 0.953 329 D HN 0.187 nan 8.370 nan 0.000 0.505 330 L N 1.361 122.546 121.223 -0.064 0.000 2.288 330 L HA 0.544 4.884 4.340 0.000 0.000 0.283 330 L C -0.420 176.273 176.870 -0.296 0.000 1.072 330 L CA -0.497 54.281 54.840 -0.103 0.000 0.862 330 L CB 0.505 42.526 42.059 -0.064 0.000 1.245 330 L HN 0.015 nan 8.230 nan 0.000 0.432 331 A N 4.643 127.322 122.820 -0.235 0.000 2.310 331 A HA 0.653 4.973 4.320 0.000 0.000 0.299 331 A C -0.944 176.401 177.584 -0.400 0.000 1.147 331 A CA -0.369 51.527 52.037 -0.235 0.000 0.818 331 A CB 0.426 19.439 19.000 0.023 0.000 1.096 331 A HN 0.757 nan 8.150 nan 0.000 0.495 332 H N 0.956 120.040 119.070 0.023 0.000 2.806 332 H HA 0.386 4.942 4.556 0.000 0.000 0.367 332 H C -2.902 172.268 175.328 -0.264 0.000 1.136 332 H CA -2.120 53.902 56.048 -0.043 0.000 1.178 332 H CB 1.399 31.209 29.762 0.079 0.000 1.718 332 H HN 0.365 nan 8.280 nan 0.000 0.540 333 P HA -0.048 nan 4.420 nan 0.000 0.268 333 P C 1.293 178.540 177.300 -0.089 0.000 1.205 333 P CA -0.090 62.825 63.100 -0.307 0.000 0.771 333 P CB 1.051 32.631 31.700 -0.200 0.000 0.858 334 V N 2.925 122.800 119.914 -0.066 0.000 2.453 334 V HA -0.339 3.781 4.120 0.000 0.000 0.252 334 V C 2.338 178.362 176.094 -0.117 0.000 1.068 334 V CA 2.640 64.893 62.300 -0.078 0.000 1.070 334 V CB -1.621 30.128 31.823 -0.123 0.000 0.664 334 V HN 0.687 nan 8.190 nan 0.000 0.461 335 A N 0.982 123.733 122.820 -0.116 0.000 1.873 335 A HA -0.286 4.034 4.320 0.000 0.000 0.218 335 A C 2.181 179.713 177.584 -0.087 0.000 1.193 335 A CA 2.188 54.157 52.037 -0.113 0.000 0.629 335 A CB -0.434 18.514 19.000 -0.087 0.000 0.826 335 A HN 0.815 nan 8.150 nan 0.000 0.447 336 E N -0.750 119.415 120.200 -0.059 0.000 2.474 336 E HA 0.196 4.547 4.350 0.000 0.000 0.195 336 E C 1.224 177.790 176.600 -0.058 0.000 1.039 336 E CA 0.529 56.901 56.400 -0.047 0.000 0.881 336 E CB 0.064 29.752 29.700 -0.020 0.000 0.970 336 E HN 0.178 nan 8.360 nan 0.000 0.486 337 V N 1.026 120.903 119.914 -0.061 0.000 2.594 337 V HA -0.130 3.990 4.120 0.000 0.000 0.253 337 V C 2.023 178.049 176.094 -0.114 0.000 1.069 337 V CA 2.177 64.411 62.300 -0.109 0.000 1.082 337 V CB -0.491 31.287 31.823 -0.076 0.000 0.680 337 V HN 0.540 nan 8.190 nan 0.000 0.469 338 G N -0.562 108.178 108.800 -0.100 0.000 2.459 338 G HA2 -0.273 3.687 3.960 0.000 0.000 0.217 338 G HA3 -0.273 3.687 3.960 0.000 0.000 0.217 338 G C 1.774 176.625 174.900 -0.083 0.000 1.183 338 G CA 1.196 46.244 45.100 -0.086 0.000 0.776 338 G HN 0.563 nan 8.290 nan 0.000 0.552 339 S N 0.044 115.694 115.700 -0.084 0.000 2.399 339 S HA -0.089 4.382 4.470 0.000 0.000 0.231 339 S C 2.417 176.940 174.600 -0.128 0.000 1.022 339 S CA 1.168 59.314 58.200 -0.090 0.000 0.983 339 S CB -0.129 63.028 63.200 -0.072 0.000 0.803 339 S HN 0.200 nan 8.310 nan 0.000 0.480 340 V N 1.760 121.591 119.914 -0.140 0.000 2.488 340 V HA -0.042 4.078 4.120 0.000 0.000 0.246 340 V C 2.616 178.440 176.094 -0.450 0.000 1.046 340 V CA 1.353 63.517 62.300 -0.225 0.000 1.053 340 V CB -1.165 30.571 31.823 -0.145 0.000 0.679 340 V HN 0.523 nan 8.190 nan 0.000 0.458 341 A N -0.024 122.680 122.820 -0.194 0.000 1.972 341 A HA -0.222 4.098 4.320 0.000 0.000 0.219 341 A C 2.124 179.566 177.584 -0.236 0.000 1.169 341 A CA 1.947 53.925 52.037 -0.098 0.000 0.635 341 A CB -0.378 18.722 19.000 0.166 0.000 0.810 341 A HN 0.541 nan 8.150 nan 0.000 0.446 342 E N 0.395 120.485 120.200 -0.183 0.000 2.000 342 E HA -0.234 4.116 4.350 0.000 0.000 0.199 342 E C 2.016 178.495 176.600 -0.202 0.000 1.011 342 E CA 1.964 58.273 56.400 -0.151 0.000 0.836 342 E CB -0.249 29.383 29.700 -0.114 0.000 0.778 342 E HN 0.492 nan 8.360 nan 0.000 0.462 343 K N 0.362 120.628 120.400 -0.223 0.000 2.089 343 K HA -0.198 4.122 4.320 0.000 0.000 0.210 343 K C 1.510 177.940 176.600 -0.285 0.000 1.048 343 K CA 2.009 58.166 56.287 -0.215 0.000 0.926 343 K CB -0.094 32.292 32.500 -0.190 0.000 0.714 343 K HN 0.097 nan 8.250 nan 0.000 0.448 344 E N -0.856 119.033 120.200 -0.518 0.000 2.474 344 E HA 0.127 4.477 4.350 0.000 0.000 0.195 344 E C 0.543 176.808 176.600 -0.558 0.000 1.039 344 E CA 0.698 56.705 56.400 -0.654 0.000 0.881 344 E CB 0.520 29.488 29.700 -1.221 0.000 0.970 344 E HN 0.536 nan 8.360 nan 0.000 0.486 345 G N 1.845 110.417 108.800 -0.380 0.000 2.256 345 G HA2 -0.196 3.764 3.960 0.000 0.000 0.272 345 G HA3 -0.196 3.764 3.960 0.000 0.000 0.272 345 G C -0.524 174.408 174.900 0.053 0.000 1.076 345 G CA -0.091 44.933 45.100 -0.125 0.000 0.882 345 G HN 0.030 nan 8.290 nan 0.000 0.497 346 W N -0.802 120.568 121.300 0.115 0.000 2.469 346 W HA 0.519 5.179 4.660 0.000 0.000 0.320 346 W C -2.088 174.403 176.519 -0.047 0.000 1.086 346 W CA -3.422 53.994 57.345 0.118 0.000 1.211 346 W CB 0.465 30.140 29.460 0.358 0.000 1.298 346 W HN 0.029 nan 8.180 nan 0.000 0.525 347 P HA -0.069 nan 4.420 nan 0.000 0.260 347 P C 1.016 178.327 177.300 0.020 0.000 1.185 347 P CA 0.255 63.353 63.100 -0.004 0.000 0.763 347 P CB 0.634 32.293 31.700 -0.069 0.000 0.776 348 L N 1.583 122.805 121.223 -0.001 0.000 2.313 348 L HA 0.051 4.391 4.340 0.000 0.000 0.214 348 L C 0.656 177.505 176.870 -0.035 0.000 1.119 348 L CA 1.507 56.330 54.840 -0.027 0.000 0.809 348 L CB -0.692 41.349 42.059 -0.031 0.000 0.933 348 L HN 0.357 nan 8.230 nan 0.000 0.449 349 D N 0.541 120.927 120.400 -0.022 0.000 2.264 349 D HA 0.270 4.910 4.640 0.000 0.000 0.250 349 D C 0.247 176.542 176.300 -0.008 0.000 1.113 349 D CA -0.178 53.810 54.000 -0.019 0.000 0.871 349 D CB 2.116 42.908 40.800 -0.014 0.000 1.167 349 D HN -0.008 nan 8.370 nan 0.000 0.447 350 I N 3.849 124.413 120.570 -0.010 0.000 2.379 350 I HA 0.065 4.235 4.170 0.000 0.000 0.290 350 I C 1.819 177.956 176.117 0.032 0.000 1.063 350 I CA -0.540 60.766 61.300 0.011 0.000 1.351 350 I CB 0.914 38.911 38.000 -0.005 0.000 1.410 350 I HN 0.093 nan 8.210 nan 0.000 0.505 351 R N 4.670 125.206 120.500 0.059 0.000 2.055 351 R HA 0.143 4.484 4.340 0.000 0.000 0.226 351 R C 0.060 176.424 176.300 0.108 0.000 1.135 351 R CA 0.984 57.129 56.100 0.074 0.000 0.959 351 R CB -0.152 30.198 30.300 0.084 0.000 0.854 351 R HN 0.437 nan 8.270 nan 0.000 0.431 352 V N -0.541 119.458 119.914 0.141 0.000 2.760 352 V HA 0.581 4.701 4.120 0.000 0.000 0.309 352 V C -0.104 176.061 176.094 0.118 0.000 1.077 352 V CA -1.139 61.266 62.300 0.174 0.000 0.910 352 V CB 1.958 33.968 31.823 0.312 0.000 1.008 352 V HN 0.315 nan 8.190 nan 0.000 0.424 353 G N 3.635 112.513 108.800 0.131 0.000 2.368 353 G HA2 0.714 4.674 3.960 0.000 0.000 0.320 353 G HA3 0.714 4.674 3.960 0.000 0.000 0.320 353 G C -1.312 173.642 174.900 0.090 0.000 1.158 353 G CA -0.449 44.718 45.100 0.112 0.000 0.912 353 G HN 0.517 nan 8.290 nan 0.000 0.456 354 L N 3.300 124.455 121.223 -0.112 0.000 2.376 354 L HA 0.520 4.861 4.340 0.000 0.000 0.275 354 L C 0.224 176.958 176.870 -0.227 0.000 0.987 354 L CA -0.729 53.967 54.840 -0.240 0.000 0.828 354 L CB 1.848 43.629 42.059 -0.464 0.000 1.249 354 L HN 0.610 nan 8.230 nan 0.000 0.409 355 I N -0.234 120.288 120.570 -0.081 0.000 2.460 355 I HA 1.060 5.230 4.170 0.000 0.000 0.298 355 I C 0.551 176.725 176.117 0.096 0.000 0.989 355 I CA -0.254 61.057 61.300 0.018 0.000 1.173 355 I CB 1.680 39.712 38.000 0.053 0.000 1.338 355 I HN 0.704 nan 8.210 nan 0.000 0.456 356 G N 3.501 112.403 108.800 0.170 0.000 2.240 356 G HA2 0.360 4.320 3.960 0.000 0.000 0.199 356 G HA3 0.360 4.320 3.960 0.000 0.000 0.199 356 G C -0.357 174.566 174.900 0.039 0.000 1.342 356 G CA 0.231 45.385 45.100 0.090 0.000 1.145 356 G HN 2.285 nan 8.290 nan 0.000 0.477 357 S N -3.038 112.523 115.700 -0.231 0.000 3.799 357 S HA -0.096 4.375 4.470 0.000 0.000 0.726 357 S C 1.829 176.308 174.600 -0.201 0.000 1.480 357 S CA 1.079 59.045 58.200 -0.389 0.000 1.488 357 S CB -1.785 61.074 63.200 -0.568 0.000 0.408 357 S HN 2.809 nan 8.310 nan 0.000 0.868 358 C N -0.185 119.009 119.300 -0.178 0.000 2.409 358 C HA 0.096 4.556 4.460 0.000 0.000 0.288 358 C C 2.534 177.462 174.990 -0.102 0.000 1.395 358 C CA 1.311 60.275 59.018 -0.090 0.000 1.792 358 C CB -2.492 25.273 27.740 0.042 0.000 1.847 358 C HN 0.958 nan 8.230 nan 0.000 0.534 359 T N 0.328 114.799 114.554 -0.138 0.000 2.978 359 T HA -0.013 4.337 4.350 0.000 0.000 0.262 359 T C 0.861 175.521 174.700 -0.066 0.000 1.063 359 T CA 1.469 63.498 62.100 -0.118 0.000 1.140 359 T CB -0.378 68.413 68.868 -0.128 0.000 0.886 359 T HN 0.746 nan 8.240 nan 0.000 0.470 360 N N 0.388 119.065 118.700 -0.038 0.000 2.595 360 N HA 0.128 4.869 4.740 0.000 0.000 0.291 360 N C 0.226 175.737 175.510 0.001 0.000 1.706 360 N CA -0.127 52.917 53.050 -0.010 0.000 0.867 360 N CB 0.969 39.467 38.487 0.018 0.000 1.414 360 N HN 0.152 nan 8.380 nan 0.000 0.492 361 S N -1.492 114.199 115.700 -0.015 0.000 2.601 361 S HA 0.145 4.615 4.470 0.000 0.000 0.244 361 S C 0.630 175.245 174.600 0.024 0.000 1.001 361 S CA -0.654 57.541 58.200 -0.007 0.000 0.984 361 S CB -0.058 63.117 63.200 -0.041 0.000 0.842 361 S HN 0.206 nan 8.310 nan 0.000 0.474 362 S N 0.649 116.376 115.700 0.045 0.000 2.614 362 S HA 0.311 4.781 4.470 0.000 0.000 0.265 362 S C 0.794 175.516 174.600 0.203 0.000 1.303 362 S CA -0.565 57.707 58.200 0.120 0.000 1.000 362 S CB 0.181 63.445 63.200 0.107 0.000 0.935 362 S HN 0.372 nan 8.310 nan 0.000 0.551 363 Y N 0.853 121.274 120.300 0.202 0.000 2.207 363 Y HA -0.136 4.414 4.550 0.000 0.000 0.287 363 Y C 2.502 178.528 175.900 0.210 0.000 1.156 363 Y CA 2.319 60.582 58.100 0.272 0.000 1.182 363 Y CB -0.276 38.415 38.460 0.385 0.000 0.979 363 Y HN 0.965 nan 8.280 nan 0.000 0.521 364 E N -0.260 120.111 120.200 0.286 0.000 2.106 364 E HA -0.222 4.128 4.350 0.000 0.000 0.192 364 E C 1.646 178.227 176.600 -0.032 0.000 0.984 364 E CA 1.406 57.869 56.400 0.106 0.000 0.806 364 E CB -0.101 29.667 29.700 0.113 0.000 0.750 364 E HN 0.528 nan 8.360 nan 0.000 0.458 365 D N 0.168 120.567 120.400 -0.002 0.000 2.097 365 D HA -0.184 4.456 4.640 0.000 0.000 0.195 365 D C 1.954 178.206 176.300 -0.080 0.000 0.989 365 D CA 1.086 55.067 54.000 -0.032 0.000 0.827 365 D CB -0.125 40.675 40.800 0.001 0.000 0.966 365 D HN 0.257 nan 8.370 nan 0.000 0.456 366 M N 0.370 119.920 119.600 -0.084 0.000 2.117 366 M HA -0.043 4.438 4.480 0.000 0.000 0.262 366 M C 2.417 178.454 176.300 -0.439 0.000 1.065 366 M CA 1.135 56.357 55.300 -0.130 0.000 1.114 366 M CB -1.584 31.020 32.600 0.006 0.000 1.361 366 M HN 0.008 nan 8.290 nan 0.000 0.408 367 G N 0.823 109.216 108.800 -0.679 0.000 2.446 367 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 367 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 367 G C 1.772 176.310 174.900 -0.603 0.000 1.168 367 G CA 0.512 44.929 45.100 -1.140 0.000 0.771 367 G HN 0.383 nan 8.290 nan 0.000 0.551 368 R N 0.649 120.953 120.500 -0.326 0.000 2.075 368 R HA 0.013 4.353 4.340 0.000 0.000 0.232 368 R C 2.861 179.060 176.300 -0.169 0.000 1.126 368 R CA 1.280 57.246 56.100 -0.222 0.000 0.963 368 R CB -0.971 29.239 30.300 -0.151 0.000 0.858 368 R HN 0.311 nan 8.270 nan 0.000 0.435 369 S N 1.474 117.105 115.700 -0.116 0.000 2.370 369 S HA -0.152 4.318 4.470 0.000 0.000 0.226 369 S C 2.152 176.736 174.600 -0.027 0.000 1.033 369 S CA 1.483 59.676 58.200 -0.012 0.000 1.011 369 S CB -0.216 63.022 63.200 0.063 0.000 0.852 369 S HN 0.510 nan 8.310 nan 0.000 0.457 370 A N 1.403 124.136 122.820 -0.145 0.000 1.929 370 A HA 0.277 4.598 4.320 0.000 0.000 0.216 370 A C 2.363 179.879 177.584 -0.113 0.000 1.176 370 A CA 1.417 53.381 52.037 -0.120 0.000 0.628 370 A CB -1.039 17.820 19.000 -0.234 0.000 0.816 370 A HN 0.500 nan 8.150 nan 0.000 0.444 371 A N -0.363 122.349 122.820 -0.180 0.000 1.948 371 A HA -0.061 4.259 4.320 0.000 0.000 0.220 371 A C 2.218 179.760 177.584 -0.069 0.000 1.177 371 A CA 2.022 53.981 52.037 -0.130 0.000 0.636 371 A CB -0.851 18.043 19.000 -0.178 0.000 0.815 371 A HN 0.385 nan 8.150 nan 0.000 0.449 372 V N -0.464 119.427 119.914 -0.040 0.000 2.283 372 V HA -0.161 3.959 4.120 0.000 0.000 0.243 372 V C 3.057 179.187 176.094 0.060 0.000 1.039 372 V CA 1.732 64.066 62.300 0.056 0.000 1.016 372 V CB -1.311 30.597 31.823 0.141 0.000 0.650 372 V HN 0.608 nan 8.190 nan 0.000 0.449 373 A N -0.163 122.673 122.820 0.028 0.000 1.917 373 A HA -0.316 4.004 4.320 0.000 0.000 0.219 373 A C 2.344 179.947 177.584 0.032 0.000 1.182 373 A CA 2.414 54.465 52.037 0.023 0.000 0.633 373 A CB -0.580 18.453 19.000 0.055 0.000 0.819 373 A HN 0.510 nan 8.150 nan 0.000 0.448 374 K N -0.491 119.921 120.400 0.020 0.000 2.032 374 K HA -0.250 4.070 4.320 0.000 0.000 0.209 374 K C 2.285 178.890 176.600 0.010 0.000 1.048 374 K CA 1.935 58.228 56.287 0.011 0.000 0.927 374 K CB -0.239 32.259 32.500 -0.002 0.000 0.712 374 K HN 0.711 nan 8.250 nan 0.000 0.441 375 Q N -0.243 119.578 119.800 0.036 0.000 2.050 375 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 375 Q C 2.174 178.218 176.000 0.073 0.000 0.980 375 Q CA 1.585 57.426 55.803 0.063 0.000 0.840 375 Q CB -0.235 28.581 28.738 0.129 0.000 0.898 375 Q HN 0.394 nan 8.270 nan 0.000 0.424 376 A N 1.072 123.962 122.820 0.116 0.000 1.908 376 A HA -0.169 4.151 4.320 0.000 0.000 0.218 376 A C 2.105 179.726 177.584 0.062 0.000 1.181 376 A CA 1.172 53.295 52.037 0.144 0.000 0.627 376 A CB -0.706 18.360 19.000 0.111 0.000 0.818 376 A HN 0.293 nan 8.150 nan 0.000 0.445 377 L N -0.945 120.293 121.223 0.024 0.000 2.056 377 L HA -0.162 4.178 4.340 0.000 0.000 0.207 377 L C 2.930 179.766 176.870 -0.058 0.000 1.078 377 L CA 0.998 55.836 54.840 -0.003 0.000 0.749 377 L CB -0.475 41.585 42.059 0.001 0.000 0.901 377 L HN 0.442 nan 8.230 nan 0.000 0.433 378 A N -1.270 121.488 122.820 -0.104 0.000 2.225 378 A HA -0.184 4.137 4.320 0.000 0.000 0.215 378 A C 1.145 178.420 177.584 -0.515 0.000 1.164 378 A CA 1.159 53.045 52.037 -0.252 0.000 0.710 378 A CB -0.764 18.082 19.000 -0.257 0.000 0.780 378 A HN 0.540 nan 8.150 nan 0.000 0.473 379 H N -1.978 116.925 119.070 -0.278 0.000 2.581 379 H HA 0.400 4.956 4.556 0.000 0.000 0.275 379 H C 1.228 176.493 175.328 -0.105 0.000 1.126 379 H CA 0.234 56.106 56.048 -0.293 0.000 1.097 379 H CB 0.452 29.801 29.762 -0.689 0.000 1.626 379 H HN 0.472 nan 8.280 nan 0.000 0.565 380 G N 1.025 109.820 108.800 -0.009 0.000 2.160 380 G HA2 -0.223 3.737 3.960 0.000 0.000 0.244 380 G HA3 -0.223 3.737 3.960 0.000 0.000 0.244 380 G C -0.486 174.441 174.900 0.045 0.000 1.022 380 G CA -0.206 44.902 45.100 0.014 0.000 0.741 380 G HN 0.121 nan 8.290 nan 0.000 0.508 381 L N -0.397 120.862 121.223 0.061 0.000 2.331 381 L HA 0.730 5.070 4.340 0.000 0.000 0.275 381 L C 0.455 177.345 176.870 0.033 0.000 1.022 381 L CA -0.729 54.148 54.840 0.062 0.000 0.812 381 L CB 1.558 43.679 42.059 0.104 0.000 1.257 381 L HN 0.032 nan 8.230 nan 0.000 0.435 382 K N 0.199 120.609 120.400 0.017 0.000 2.316 382 K HA 0.481 4.801 4.320 0.000 0.000 0.234 382 K C -0.892 175.694 176.600 -0.024 0.000 1.054 382 K CA -0.576 55.716 56.287 0.009 0.000 0.879 382 K CB 1.520 34.033 32.500 0.023 0.000 1.252 382 K HN 0.494 nan 8.250 nan 0.000 0.471 383 C N 2.030 121.308 119.300 -0.036 0.000 2.644 383 C HA 0.140 4.600 4.460 0.000 0.000 0.417 383 C C 2.163 177.125 174.990 -0.046 0.000 1.304 383 C CA -0.154 58.813 59.018 -0.085 0.000 2.035 383 C CB -0.019 27.665 27.740 -0.094 0.000 2.673 383 C HN 0.699 nan 8.230 nan 0.000 0.602 384 K N 1.097 121.455 120.400 -0.072 0.000 2.044 384 K HA -0.015 4.305 4.320 0.000 0.000 0.204 384 K C 0.961 177.549 176.600 -0.020 0.000 1.049 384 K CA 0.824 57.081 56.287 -0.049 0.000 0.945 384 K CB -0.009 32.443 32.500 -0.080 0.000 0.724 384 K HN 0.724 nan 8.250 nan 0.000 0.440 385 S N 1.488 117.175 115.700 -0.021 0.000 2.603 385 S HA 0.093 4.564 4.470 0.000 0.000 0.268 385 S C -0.011 174.635 174.600 0.075 0.000 1.317 385 S CA -0.464 57.751 58.200 0.025 0.000 1.012 385 S CB 1.263 64.477 63.200 0.023 0.000 0.926 385 S HN 0.165 nan 8.310 nan 0.000 0.539 386 Q N 0.266 120.135 119.800 0.115 0.000 2.432 386 Q HA 0.255 4.595 4.340 0.000 0.000 0.264 386 Q C -1.225 174.927 176.000 0.253 0.000 1.035 386 Q CA 0.437 56.339 55.803 0.165 0.000 0.908 386 Q CB 0.329 29.166 28.738 0.166 0.000 1.280 386 Q HN 0.539 nan 8.270 nan 0.000 0.455 387 F N 1.816 121.785 119.950 0.032 0.000 2.579 387 F HA 0.322 4.849 4.527 0.000 0.000 0.325 387 F C -0.806 174.994 175.800 0.001 0.000 1.162 387 F CA -0.596 57.409 58.000 0.009 0.000 0.946 387 F CB 1.262 40.268 39.000 0.009 0.000 1.211 387 F HN 0.455 nan 8.300 nan 0.000 0.447 388 T N 3.899 118.270 114.554 -0.305 0.000 2.885 388 T HA 0.842 5.192 4.350 0.000 0.000 0.285 388 T C -0.890 173.517 174.700 -0.489 0.000 1.019 388 T CA -0.644 61.240 62.100 -0.361 0.000 1.010 388 T CB 1.817 70.550 68.868 -0.225 0.000 1.022 388 T HN 0.367 nan 8.240 nan 0.000 0.466 389 I N 2.116 122.449 120.570 -0.395 0.000 2.439 389 I HA 0.346 4.516 4.170 0.000 0.000 0.285 389 I C 0.006 176.026 176.117 -0.162 0.000 1.021 389 I CA -0.404 60.715 61.300 -0.301 0.000 1.091 389 I CB 2.274 40.083 38.000 -0.319 0.000 1.242 389 I HN 0.706 nan 8.210 nan 0.000 0.439 390 T N 7.465 121.956 114.554 -0.105 0.000 2.743 390 T HA 0.410 4.760 4.350 0.000 0.000 0.292 390 T C -2.521 172.138 174.700 -0.068 0.000 0.972 390 T CA -1.331 60.714 62.100 -0.093 0.000 0.967 390 T CB 1.002 69.803 68.868 -0.111 0.000 0.926 390 T HN 0.169 nan 8.240 nan 0.000 0.459 391 P HA 0.211 nan 4.420 nan 0.000 0.271 391 P C 1.088 178.358 177.300 -0.051 0.000 1.216 391 P CA -0.237 62.846 63.100 -0.029 0.000 0.771 391 P CB 0.628 32.324 31.700 -0.007 0.000 0.864 392 G N 1.744 110.518 108.800 -0.043 0.000 2.443 392 G HA2 -0.008 3.952 3.960 0.000 0.000 0.219 392 G HA3 -0.008 3.952 3.960 0.000 0.000 0.219 392 G C 0.213 175.058 174.900 -0.092 0.000 1.131 392 G CA 0.635 45.692 45.100 -0.073 0.000 0.775 392 G HN 0.661 nan 8.290 nan 0.000 0.547 393 S N -1.958 113.700 115.700 -0.070 0.000 2.625 393 S HA 0.439 4.909 4.470 0.000 0.000 0.271 393 S C 0.313 174.889 174.600 -0.041 0.000 1.161 393 S CA -0.143 58.007 58.200 -0.083 0.000 0.820 393 S CB 1.937 65.061 63.200 -0.127 0.000 1.137 393 S HN -0.074 nan 8.310 nan 0.000 0.470 394 E N 0.919 121.106 120.200 -0.022 0.000 2.077 394 E HA -0.180 4.170 4.350 0.000 0.000 0.193 394 E C 1.920 178.529 176.600 0.015 0.000 0.989 394 E CA 2.134 58.540 56.400 0.009 0.000 0.800 394 E CB -0.381 29.341 29.700 0.037 0.000 0.746 394 E HN 0.719 nan 8.360 nan 0.000 0.452 395 Q N -0.285 119.510 119.800 -0.009 0.000 2.096 395 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 395 Q C 2.205 178.221 176.000 0.027 0.000 0.982 395 Q CA 2.006 57.796 55.803 -0.021 0.000 0.850 395 Q CB -0.175 28.477 28.738 -0.143 0.000 0.901 395 Q HN 0.427 nan 8.270 nan 0.000 0.422 396 I N -0.108 120.471 120.570 0.016 0.000 2.353 396 I HA -0.219 3.951 4.170 0.000 0.000 0.248 396 I C 2.704 178.901 176.117 0.133 0.000 1.119 396 I CA 0.773 62.153 61.300 0.135 0.000 1.417 396 I CB -0.326 37.744 38.000 0.116 0.000 1.078 396 I HN 0.218 nan 8.210 nan 0.000 0.421 397 R N 1.546 122.087 120.500 0.068 0.000 2.080 397 R HA -0.212 4.129 4.340 0.000 0.000 0.236 397 R C 2.406 178.746 176.300 0.066 0.000 1.137 397 R CA 1.859 57.993 56.100 0.057 0.000 0.943 397 R CB -0.390 29.926 30.300 0.026 0.000 0.846 397 R HN 0.325 nan 8.270 nan 0.000 0.431 398 A N 0.113 122.971 122.820 0.063 0.000 1.927 398 A HA -0.207 4.113 4.320 0.000 0.000 0.220 398 A C 2.202 179.833 177.584 0.079 0.000 1.185 398 A CA 2.407 54.481 52.037 0.062 0.000 0.639 398 A CB -0.982 18.054 19.000 0.060 0.000 0.820 398 A HN 0.548 nan 8.150 nan 0.000 0.451 399 T N 0.316 114.952 114.554 0.137 0.000 2.896 399 T HA -0.012 4.339 4.350 0.000 0.000 0.263 399 T C 1.837 176.618 174.700 0.134 0.000 1.050 399 T CA 1.313 63.515 62.100 0.170 0.000 1.140 399 T CB -0.467 68.591 68.868 0.317 0.000 0.877 399 T HN 0.717 nan 8.240 nan 0.000 0.457 400 I N 0.002 120.651 120.570 0.130 0.000 2.546 400 I HA 0.085 4.256 4.170 0.000 0.000 0.255 400 I C 2.375 178.457 176.117 -0.059 0.000 1.163 400 I CA 1.290 62.570 61.300 -0.033 0.000 1.457 400 I CB -0.316 37.757 38.000 0.122 0.000 1.092 400 I HN 0.018 nan 8.210 nan 0.000 0.434 401 E N 2.102 122.306 120.200 0.007 0.000 2.017 401 E HA -0.235 4.116 4.350 0.000 0.000 0.193 401 E C 2.433 179.020 176.600 -0.021 0.000 0.997 401 E CA 1.562 57.964 56.400 0.004 0.000 0.804 401 E CB -0.276 29.436 29.700 0.020 0.000 0.757 401 E HN 0.410 nan 8.360 nan 0.000 0.448 402 R N 0.087 120.576 120.500 -0.018 0.000 2.105 402 R HA -0.135 4.205 4.340 0.000 0.000 0.239 402 R C 0.532 176.790 176.300 -0.070 0.000 1.135 402 R CA 1.778 57.861 56.100 -0.028 0.000 0.967 402 R CB -0.124 30.169 30.300 -0.012 0.000 0.861 402 R HN 0.158 nan 8.270 nan 0.000 0.442 403 D N -1.257 119.055 120.400 -0.146 0.000 2.325 403 D HA 0.130 4.770 4.640 0.000 0.000 0.225 403 D C 0.847 176.980 176.300 -0.279 0.000 1.096 403 D CA 0.853 54.706 54.000 -0.246 0.000 0.844 403 D CB 0.707 41.277 40.800 -0.384 0.000 0.925 403 D HN 0.517 nan 8.370 nan 0.000 0.513 404 G N 0.663 109.373 108.800 -0.149 0.000 2.162 404 G HA2 -0.392 3.568 3.960 0.000 0.000 0.260 404 G HA3 -0.392 3.568 3.960 0.000 0.000 0.260 404 G C 0.875 175.831 174.900 0.093 0.000 0.976 404 G CA 0.283 45.368 45.100 -0.024 0.000 0.655 404 G HN 0.268 nan 8.290 nan 0.000 0.533 405 Y N 0.119 120.406 120.300 -0.020 0.000 2.242 405 Y HA 0.227 4.777 4.550 0.000 0.000 0.291 405 Y C 3.081 178.975 175.900 -0.010 0.000 1.137 405 Y CA 1.056 59.134 58.100 -0.037 0.000 1.181 405 Y CB -1.233 37.171 38.460 -0.094 0.000 0.989 405 Y HN 0.427 nan 8.280 nan 0.000 0.527 406 A N -0.358 122.553 122.820 0.150 0.000 1.972 406 A HA -0.232 4.088 4.320 0.000 0.000 0.219 406 A C 2.183 179.808 177.584 0.069 0.000 1.169 406 A CA 1.801 53.889 52.037 0.086 0.000 0.635 406 A CB -0.548 18.483 19.000 0.053 0.000 0.810 406 A HN 0.380 nan 8.150 nan 0.000 0.446 407 Q N -0.398 119.442 119.800 0.067 0.000 2.137 407 Q HA -0.027 4.313 4.340 0.000 0.000 0.198 407 Q C 1.899 177.940 176.000 0.068 0.000 0.960 407 Q CA 1.666 57.502 55.803 0.056 0.000 0.847 407 Q CB -0.471 28.292 28.738 0.042 0.000 0.915 407 Q HN 0.330 nan 8.270 nan 0.000 0.448 408 V N 0.386 120.351 119.914 0.085 0.000 2.295 408 V HA -0.259 3.862 4.120 0.000 0.000 0.246 408 V C 2.168 178.326 176.094 0.106 0.000 1.049 408 V CA 1.734 64.085 62.300 0.084 0.000 1.024 408 V CB -0.504 31.371 31.823 0.087 0.000 0.648 408 V HN 0.366 nan 8.190 nan 0.000 0.447 409 L N -0.977 120.323 121.223 0.128 0.000 2.217 409 L HA -0.082 4.258 4.340 0.000 0.000 0.211 409 L C 2.674 179.641 176.870 0.163 0.000 1.107 409 L CA 1.232 56.187 54.840 0.192 0.000 0.783 409 L CB -0.491 41.655 42.059 0.146 0.000 0.919 409 L HN 0.188 nan 8.230 nan 0.000 0.442 410 R N -0.093 120.464 120.500 0.095 0.000 2.115 410 R HA -0.117 4.223 4.340 0.000 0.000 0.226 410 R C 1.578 177.929 176.300 0.085 0.000 1.100 410 R CA 1.071 57.215 56.100 0.075 0.000 0.980 410 R CB -0.007 30.321 30.300 0.047 0.000 0.875 410 R HN 0.317 nan 8.270 nan 0.000 0.445 411 D N -0.177 120.272 120.400 0.081 0.000 2.224 411 D HA -0.092 4.548 4.640 0.000 0.000 0.205 411 D C 1.448 177.794 176.300 0.076 0.000 0.965 411 D CA 0.891 54.931 54.000 0.067 0.000 0.852 411 D CB 0.223 41.053 40.800 0.050 0.000 0.947 411 D HN 0.126 nan 8.370 nan 0.000 0.494 412 V N -2.196 117.781 119.914 0.106 0.000 3.602 412 V HA 0.418 4.538 4.120 0.000 0.000 0.289 412 V C 1.371 177.539 176.094 0.124 0.000 1.265 412 V CA 0.340 62.692 62.300 0.087 0.000 1.202 412 V CB -0.588 31.260 31.823 0.041 0.000 1.012 412 V HN 0.198 nan 8.190 nan 0.000 0.431 413 G N -0.512 108.374 108.800 0.144 0.000 2.130 413 G HA2 -0.091 3.869 3.960 0.000 0.000 0.216 413 G HA3 -0.091 3.869 3.960 0.000 0.000 0.216 413 G C 0.382 175.421 174.900 0.233 0.000 0.999 413 G CA -0.256 44.935 45.100 0.151 0.000 0.686 413 G HN 1.244 nan 8.290 nan 0.000 0.515 414 G N -0.641 108.321 108.800 0.271 0.000 2.420 414 G HA2 0.646 4.606 3.960 0.000 0.000 0.284 414 G HA3 0.646 4.606 3.960 0.000 0.000 0.284 414 G C -0.258 174.629 174.900 -0.023 0.000 1.177 414 G CA -0.247 44.913 45.100 0.099 0.000 0.841 414 G HN 1.060 nan 8.290 nan 0.000 0.527 415 I N 2.306 122.816 120.570 -0.100 0.000 2.362 415 I HA 0.471 4.641 4.170 0.000 0.000 0.289 415 I C 0.004 176.043 176.117 -0.130 0.000 0.994 415 I CA -1.142 60.117 61.300 -0.068 0.000 1.158 415 I CB 1.791 39.778 38.000 -0.023 0.000 1.315 415 I HN 0.383 nan 8.210 nan 0.000 0.451 416 V N 7.955 127.815 119.914 -0.090 0.000 2.383 416 V HA 0.560 4.680 4.120 0.000 0.000 0.275 416 V C -0.275 175.777 176.094 -0.069 0.000 1.036 416 V CA -0.403 61.838 62.300 -0.098 0.000 0.889 416 V CB 0.775 32.558 31.823 -0.067 0.000 0.985 416 V HN 0.748 nan 8.190 nan 0.000 0.459 417 L N 5.087 126.259 121.223 -0.085 0.000 2.469 417 L HA 0.721 5.061 4.340 0.000 0.000 0.253 417 L C 1.283 178.121 176.870 -0.054 0.000 1.143 417 L CA -0.193 54.606 54.840 -0.068 0.000 0.804 417 L CB 0.597 42.599 42.059 -0.096 0.000 1.214 417 L HN 0.874 nan 8.230 nan 0.000 0.476 418 A N 0.547 123.341 122.820 -0.043 0.000 2.492 418 A HA 0.063 4.383 4.320 0.000 0.000 0.236 418 A C -0.004 177.544 177.584 -0.060 0.000 1.078 418 A CA -0.335 51.679 52.037 -0.039 0.000 0.773 418 A CB -0.166 18.819 19.000 -0.025 0.000 1.023 418 A HN 0.764 nan 8.150 nan 0.000 0.504 419 N N 1.055 119.722 118.700 -0.055 0.000 2.895 419 N HA 0.436 5.177 4.740 0.000 0.000 0.277 419 N C -0.350 175.106 175.510 -0.089 0.000 1.185 419 N CA 0.804 53.812 53.050 -0.070 0.000 1.106 419 N CB 0.219 38.673 38.487 -0.055 0.000 1.422 419 N HN 0.805 nan 8.380 nan 0.000 0.521 420 A N -0.431 122.320 122.820 -0.114 0.000 2.610 420 A HA 0.333 4.653 4.320 0.000 0.000 0.291 420 A C 0.817 178.277 177.584 -0.205 0.000 1.086 420 A CA -0.718 51.237 52.037 -0.137 0.000 0.677 420 A CB 0.272 19.219 19.000 -0.089 0.000 1.278 420 A HN 0.436 nan 8.150 nan 0.000 0.414 421 C N 0.398 119.522 119.300 -0.293 0.000 2.398 421 C HA 0.276 4.736 4.460 0.000 0.000 0.276 421 C C 2.351 177.154 174.990 -0.312 0.000 1.222 421 C CA 1.591 60.380 59.018 -0.382 0.000 1.746 421 C CB -1.704 25.677 27.740 -0.599 0.000 2.039 421 C HN 2.294 nan 8.230 nan 0.000 0.470 422 G N 0.846 109.519 108.800 -0.211 0.000 2.596 422 G HA2 -0.295 3.665 3.960 0.000 0.000 0.295 422 G HA3 -0.295 3.665 3.960 0.000 0.000 0.295 422 G C -1.318 173.499 174.900 -0.137 0.000 1.240 422 G CA 0.453 45.463 45.100 -0.151 0.000 0.985 422 G HN 0.261 nan 8.290 nan 0.000 0.555 423 P HA -0.083 nan 4.420 nan 0.000 0.219 423 P C 2.143 179.442 177.300 -0.001 0.000 1.144 423 P CA 1.802 64.795 63.100 -0.178 0.000 0.806 423 P CB -0.166 31.137 31.700 -0.662 0.000 0.771 424 C N -0.718 118.460 119.300 -0.204 0.000 2.432 424 C HA -0.104 4.356 4.460 0.000 0.000 0.277 424 C C 1.853 176.783 174.990 -0.100 0.000 1.249 424 C CA 0.794 59.620 59.018 -0.320 0.000 1.725 424 C CB -1.566 25.731 27.740 -0.738 0.000 2.028 424 C HN 0.140 nan 8.230 nan 0.000 0.477 425 I N 0.025 120.552 120.570 -0.071 0.000 3.874 425 I HA 0.412 4.582 4.170 0.000 0.000 0.331 425 I C 1.346 177.523 176.117 0.099 0.000 1.489 425 I CA 0.833 62.157 61.300 0.040 0.000 1.187 425 I CB -0.800 37.254 38.000 0.090 0.000 1.150 425 I HN 0.352 nan 8.210 nan 0.000 0.412 426 G N 0.683 109.564 108.800 0.135 0.000 2.143 426 G HA2 -0.247 3.714 3.960 0.000 0.000 0.248 426 G HA3 -0.247 3.714 3.960 0.000 0.000 0.248 426 G C 0.343 175.355 174.900 0.187 0.000 0.991 426 G CA -0.277 44.943 45.100 0.199 0.000 0.689 426 G HN 0.437 nan 8.290 nan 0.000 0.522 427 Q N -0.813 119.071 119.800 0.140 0.000 3.006 427 Q HA 0.378 4.719 4.340 0.000 0.000 0.260 427 Q C -0.701 175.418 176.000 0.198 0.000 1.356 427 Q CA -0.162 55.710 55.803 0.116 0.000 1.070 427 Q CB 0.309 29.072 28.738 0.042 0.000 1.507 427 Q HN 0.499 nan 8.270 nan 0.000 0.568 428 W N 1.357 122.662 121.300 0.008 0.000 3.439 428 W HA 0.198 4.858 4.660 0.000 0.000 0.323 428 W C -1.400 175.126 176.519 0.011 0.000 1.174 428 W CA -1.516 55.838 57.345 0.015 0.000 1.224 428 W CB 1.326 30.806 29.460 0.033 0.000 1.348 428 W HN 0.182 nan 8.180 nan 0.000 0.498 429 D N 4.049 124.569 120.400 0.201 0.000 2.638 429 D HA 0.174 4.814 4.640 0.000 0.000 0.245 429 D C 0.053 176.214 176.300 -0.233 0.000 1.176 429 D CA -0.104 53.884 54.000 -0.019 0.000 0.996 429 D CB 0.218 41.041 40.800 0.039 0.000 1.012 429 D HN 0.181 nan 8.370 nan 0.000 0.515 430 R N 2.181 122.301 120.500 -0.633 0.000 2.449 430 R HA 0.093 4.433 4.340 0.000 0.000 0.296 430 R C 0.250 176.329 176.300 -0.367 0.000 1.047 430 R CA 0.049 55.636 56.100 -0.854 0.000 1.018 430 R CB 0.603 30.133 30.300 -1.282 0.000 0.962 430 R HN 0.185 nan 8.270 nan 0.000 0.428 431 K N 2.445 122.712 120.400 -0.222 0.000 2.413 431 K HA 0.039 4.360 4.320 0.000 0.000 0.204 431 K C 0.221 176.774 176.600 -0.079 0.000 1.041 431 K CA 0.203 56.423 56.287 -0.113 0.000 1.082 431 K CB 0.763 33.233 32.500 -0.050 0.000 0.871 431 K HN 0.685 nan 8.250 nan 0.000 0.535 432 D N 0.563 120.908 120.400 -0.091 0.000 2.363 432 D HA 0.057 4.697 4.640 0.000 0.000 0.214 432 D C 0.799 177.076 176.300 -0.040 0.000 1.093 432 D CA -0.144 53.832 54.000 -0.041 0.000 0.837 432 D CB 0.258 41.057 40.800 -0.002 0.000 0.948 432 D HN 0.219 nan 8.370 nan 0.000 0.507 433 I N -3.147 117.383 120.570 -0.066 0.000 3.264 433 I HA 0.610 4.780 4.170 0.000 0.000 0.315 433 I C -1.152 174.939 176.117 -0.043 0.000 1.154 433 I CA -1.454 59.820 61.300 -0.043 0.000 0.962 433 I CB 1.830 39.805 38.000 -0.042 0.000 1.265 433 I HN -0.427 nan 8.210 nan 0.000 0.463 434 K N 1.419 121.806 120.400 -0.021 0.000 2.095 434 K HA 0.425 4.745 4.320 0.000 0.000 0.252 434 K C -0.541 176.052 176.600 -0.012 0.000 0.977 434 K CA -0.796 55.482 56.287 -0.015 0.000 0.900 434 K CB 0.579 33.078 32.500 -0.002 0.000 1.060 434 K HN 0.289 nan 8.250 nan 0.000 0.449 435 K N 0.878 121.272 120.400 -0.009 0.000 2.412 435 K HA 0.173 4.494 4.320 0.000 0.000 0.281 435 K C 0.832 177.446 176.600 0.022 0.000 1.027 435 K CA 1.030 57.319 56.287 0.003 0.000 0.989 435 K CB 0.539 33.043 32.500 0.006 0.000 0.935 435 K HN 0.797 nan 8.250 nan 0.000 0.475 436 G N 2.706 111.529 108.800 0.039 0.000 2.195 436 G HA2 -0.268 3.693 3.960 0.000 0.000 0.246 436 G HA3 -0.268 3.693 3.960 0.000 0.000 0.246 436 G C 0.204 175.142 174.900 0.064 0.000 0.984 436 G CA 0.262 45.396 45.100 0.057 0.000 0.633 436 G HN 0.600 nan 8.290 nan 0.000 0.525 437 E N 1.053 121.281 120.200 0.047 0.000 2.366 437 E HA 0.368 4.719 4.350 0.000 0.000 0.266 437 E C 0.578 177.225 176.600 0.077 0.000 1.015 437 E CA -0.287 56.142 56.400 0.048 0.000 0.906 437 E CB 0.281 29.995 29.700 0.024 0.000 0.979 437 E HN 0.339 nan 8.360 nan 0.000 0.443 438 K N 4.095 124.545 120.400 0.083 0.000 2.322 438 K HA 0.079 4.399 4.320 0.000 0.000 0.283 438 K C -0.513 176.118 176.600 0.052 0.000 1.042 438 K CA -0.119 56.231 56.287 0.106 0.000 0.958 438 K CB 0.365 32.923 32.500 0.097 0.000 0.984 438 K HN 0.648 nan 8.250 nan 0.000 0.473 439 N N 1.136 119.866 118.700 0.050 0.000 3.185 439 N HA 0.130 4.870 4.740 0.000 0.000 0.238 439 N C -1.703 173.840 175.510 0.055 0.000 1.451 439 N CA -0.755 52.314 53.050 0.031 0.000 0.888 439 N CB 1.600 40.120 38.487 0.054 0.000 1.413 439 N HN 0.328 nan 8.380 nan 0.000 0.511 440 T N 1.055 115.649 114.554 0.066 0.000 2.829 440 T HA 0.658 5.008 4.350 0.000 0.000 0.280 440 T C -0.208 174.568 174.700 0.128 0.000 0.999 440 T CA -0.652 61.528 62.100 0.134 0.000 0.983 440 T CB 0.463 69.384 68.868 0.089 0.000 0.968 440 T HN 0.490 nan 8.240 nan 0.000 0.446 441 I N 0.963 121.627 120.570 0.157 0.000 2.498 441 I HA 0.813 4.983 4.170 0.000 0.000 0.290 441 I C -0.228 175.948 176.117 0.099 0.000 1.032 441 I CA -1.481 59.895 61.300 0.126 0.000 1.073 441 I CB 1.782 39.881 38.000 0.165 0.000 1.251 441 I HN 0.363 nan 8.210 nan 0.000 0.426 442 V N 2.298 122.243 119.914 0.052 0.000 2.472 442 V HA 0.883 5.003 4.120 0.000 0.000 0.290 442 V C 0.240 176.279 176.094 -0.092 0.000 1.037 442 V CA 0.129 62.447 62.300 0.031 0.000 0.908 442 V CB 1.097 32.940 31.823 0.033 0.000 0.985 442 V HN 1.010 nan 8.190 nan 0.000 0.454 443 T N 0.643 115.089 114.554 -0.180 0.000 2.901 443 T HA 0.574 4.924 4.350 0.000 0.000 0.293 443 T C 0.375 174.922 174.700 -0.256 0.000 1.084 443 T CA 0.022 61.857 62.100 -0.442 0.000 1.008 443 T CB 1.726 70.015 68.868 -0.965 0.000 1.170 443 T HN 1.422 nan 8.240 nan 0.000 0.509 444 S N 0.490 116.057 115.700 -0.221 0.000 2.552 444 S HA 0.324 4.794 4.470 0.000 0.000 0.246 444 S C -0.134 174.561 174.600 0.158 0.000 1.019 444 S CA -0.729 57.472 58.200 0.001 0.000 1.045 444 S CB -0.876 62.353 63.200 0.048 0.000 0.784 444 S HN 0.603 nan 8.310 nan 0.000 0.453 445 Y N 3.209 123.459 120.300 -0.084 0.000 2.576 445 Y HA 0.387 4.937 4.550 0.000 0.000 0.406 445 Y C 1.737 177.552 175.900 -0.141 0.000 1.381 445 Y CA -1.329 56.695 58.100 -0.128 0.000 1.763 445 Y CB -0.197 38.182 38.460 -0.136 0.000 1.736 445 Y HN 0.451 nan 8.280 nan 0.000 0.634 446 N N -0.931 117.760 118.700 -0.014 0.000 2.557 446 N HA 0.142 4.882 4.740 0.000 0.000 0.217 446 N C 0.091 175.534 175.510 -0.112 0.000 1.062 446 N CA -0.199 52.793 53.050 -0.097 0.000 0.863 446 N CB 0.642 38.987 38.487 -0.237 0.000 1.390 446 N HN 0.310 nan 8.380 nan 0.000 0.445 447 R N 0.368 120.774 120.500 -0.157 0.000 2.668 447 R HA 0.362 4.702 4.340 0.000 0.000 0.279 447 R C -1.052 175.079 176.300 -0.281 0.000 0.976 447 R CA -0.486 55.411 56.100 -0.337 0.000 0.978 447 R CB 0.606 30.625 30.300 -0.468 0.000 1.133 447 R HN 0.381 nan 8.270 nan 0.000 0.484 448 N N 2.879 121.385 118.700 -0.325 0.000 2.547 448 N HA 0.073 4.813 4.740 0.000 0.000 0.285 448 N C -1.099 174.357 175.510 -0.090 0.000 1.600 448 N CA -0.445 52.480 53.050 -0.208 0.000 0.872 448 N CB -0.212 38.113 38.487 -0.271 0.000 1.412 448 N HN 0.306 nan 8.380 nan 0.000 0.489 449 F N 1.929 121.850 119.950 -0.048 0.000 2.529 449 F HA 0.108 4.635 4.527 0.000 0.000 0.365 449 F C 1.086 176.897 175.800 0.019 0.000 1.102 449 F CA -0.320 57.689 58.000 0.014 0.000 1.271 449 F CB 0.541 39.562 39.000 0.035 0.000 1.120 449 F HN 0.094 nan 8.300 nan 0.000 0.579 450 T N 0.775 115.564 114.554 0.391 0.000 2.914 450 T HA -0.224 4.127 4.350 0.000 0.000 0.436 450 T C 1.061 175.905 174.700 0.240 0.000 0.775 450 T CA 0.308 62.653 62.100 0.408 0.000 2.838 450 T CB -2.022 66.991 68.868 0.242 0.000 1.395 450 T HN 1.400 nan 8.240 nan 0.000 0.460 451 G N 2.570 111.429 108.800 0.100 0.000 2.280 451 G HA2 -0.464 3.497 3.960 0.000 0.000 0.282 451 G HA3 -0.464 3.497 3.960 0.000 0.000 0.282 451 G C 0.874 175.854 174.900 0.133 0.000 1.000 451 G CA 1.051 46.206 45.100 0.093 0.000 0.751 451 G HN 1.309 nan 8.290 nan 0.000 0.515 452 R N -0.353 120.231 120.500 0.139 0.000 2.417 452 R HA -0.063 4.277 4.340 0.000 0.000 0.220 452 R C 1.607 178.012 176.300 0.175 0.000 1.128 452 R CA 1.923 58.114 56.100 0.152 0.000 1.048 452 R CB -0.610 29.784 30.300 0.157 0.000 0.835 452 R HN 0.530 nan 8.270 nan 0.000 0.483 453 N N 0.413 119.243 118.700 0.218 0.000 2.333 453 N HA -0.078 4.662 4.740 0.000 0.000 0.178 453 N C 0.137 175.943 175.510 0.494 0.000 1.018 453 N CA 1.115 54.372 53.050 0.345 0.000 0.882 453 N CB 0.280 38.995 38.487 0.381 0.000 0.984 453 N HN 0.566 nan 8.380 nan 0.000 0.434 454 D N -1.838 118.733 120.400 0.286 0.000 2.497 454 D HA 0.286 4.926 4.640 0.000 0.000 0.256 454 D C 0.401 176.731 176.300 0.049 0.000 1.273 454 D CA 0.137 54.199 54.000 0.103 0.000 0.812 454 D CB -0.159 40.541 40.800 -0.166 0.000 1.190 454 D HN 0.020 nan 8.370 nan 0.000 0.524 455 A N 0.323 123.204 122.820 0.102 0.000 2.887 455 A HA -0.261 4.059 4.320 0.000 0.000 0.257 455 A C 0.229 177.863 177.584 0.083 0.000 1.372 455 A CA 0.853 52.949 52.037 0.099 0.000 0.879 455 A CB -2.684 16.371 19.000 0.092 0.000 1.082 455 A HN 0.456 nan 8.150 nan 0.000 0.703 456 N N -0.400 118.348 118.700 0.080 0.000 2.485 456 N HA 0.516 5.256 4.740 0.000 0.000 0.243 456 N C -1.471 174.123 175.510 0.140 0.000 0.987 456 N CA -2.219 50.883 53.050 0.087 0.000 0.940 456 N CB 1.222 39.742 38.487 0.055 0.000 1.122 456 N HN 0.068 nan 8.380 nan 0.000 0.509 457 P HA -0.080 nan 4.420 nan 0.000 0.221 457 P C 0.419 177.892 177.300 0.288 0.000 1.145 457 P CA 1.074 64.292 63.100 0.197 0.000 0.795 457 P CB 0.420 32.197 31.700 0.129 0.000 0.775 458 E N -1.214 119.141 120.200 0.258 0.000 2.481 458 E HA 0.028 4.378 4.350 0.000 0.000 0.195 458 E C 0.241 177.121 176.600 0.465 0.000 1.047 458 E CA 0.547 57.154 56.400 0.346 0.000 0.867 458 E CB -0.507 29.334 29.700 0.235 0.000 0.858 458 E HN 0.244 nan 8.360 nan 0.000 0.513 459 T N 1.800 116.548 114.554 0.323 0.000 2.834 459 T HA 0.105 4.455 4.350 0.000 0.000 0.298 459 T C -0.279 174.492 174.700 0.119 0.000 0.966 459 T CA -0.062 62.186 62.100 0.246 0.000 1.141 459 T CB 0.186 69.137 68.868 0.138 0.000 0.905 459 T HN 0.031 nan 8.240 nan 0.000 0.535 460 H N 1.711 120.758 119.070 -0.039 0.000 2.724 460 H HA 0.535 5.091 4.556 0.000 0.000 0.278 460 H C 0.139 175.383 175.328 -0.139 0.000 1.159 460 H CA -0.576 55.348 56.048 -0.207 0.000 1.254 460 H CB 0.121 29.944 29.762 0.102 0.000 1.412 460 H HN 0.731 nan 8.280 nan 0.000 0.488 461 A N 3.999 126.637 122.820 -0.304 0.000 2.274 461 A HA 0.510 4.830 4.320 0.000 0.000 0.309 461 A C -0.816 176.563 177.584 -0.342 0.000 1.226 461 A CA -0.477 51.451 52.037 -0.181 0.000 0.853 461 A CB -0.023 18.868 19.000 -0.183 0.000 1.146 461 A HN 0.535 nan 8.150 nan 0.000 0.518 462 F N 2.398 122.262 119.950 -0.144 0.000 2.426 462 F HA 0.437 4.965 4.527 0.000 0.000 0.348 462 F C 0.463 176.203 175.800 -0.101 0.000 1.124 462 F CA -0.557 57.373 58.000 -0.116 0.000 1.008 462 F CB 2.205 41.164 39.000 -0.068 0.000 1.139 462 F HN 0.498 nan 8.300 nan 0.000 0.452 463 V N 0.979 120.893 119.914 0.000 0.000 2.465 463 V HA 0.827 4.947 4.120 0.000 0.000 0.279 463 V C -0.208 175.914 176.094 0.047 0.000 1.045 463 V CA -0.036 62.260 62.300 -0.007 0.000 0.938 463 V CB 1.032 32.831 31.823 -0.039 0.000 0.986 463 V HN 0.843 nan 8.190 nan 0.000 0.467 464 T N 2.357 116.934 114.554 0.037 0.000 2.626 464 T HA 0.537 4.887 4.350 0.000 0.000 0.299 464 T C -0.126 174.602 174.700 0.047 0.000 1.181 464 T CA 0.207 62.343 62.100 0.059 0.000 1.053 464 T CB 1.636 70.549 68.868 0.074 0.000 1.566 464 T HN 1.480 nan 8.240 nan 0.000 0.486 465 S N 1.121 116.858 115.700 0.062 0.000 2.586 465 S HA 0.447 4.917 4.470 0.000 0.000 0.274 465 S C -1.999 172.643 174.600 0.070 0.000 1.281 465 S CA -0.907 57.329 58.200 0.060 0.000 1.035 465 S CB 1.083 64.328 63.200 0.075 0.000 0.962 465 S HN 0.489 nan 8.310 nan 0.000 0.512 466 P HA -0.163 nan 4.420 nan 0.000 0.218 466 P C 1.438 178.805 177.300 0.113 0.000 1.148 466 P CA 1.254 64.403 63.100 0.081 0.000 0.822 466 P CB -0.028 31.708 31.700 0.060 0.000 0.784 467 E N -0.694 119.576 120.200 0.116 0.000 2.216 467 E HA -0.090 4.260 4.350 0.000 0.000 0.192 467 E C 1.776 178.538 176.600 0.269 0.000 0.988 467 E CA 0.935 57.441 56.400 0.176 0.000 0.834 467 E CB -0.768 29.015 29.700 0.139 0.000 0.772 467 E HN 0.190 nan 8.360 nan 0.000 0.479 468 I N 1.583 122.273 120.570 0.200 0.000 2.333 468 I HA -0.143 4.027 4.170 0.000 0.000 0.246 468 I C 2.591 178.750 176.117 0.071 0.000 1.106 468 I CA 0.455 61.825 61.300 0.117 0.000 1.411 468 I CB -0.658 37.384 38.000 0.070 0.000 1.082 468 I HN -0.025 nan 8.210 nan 0.000 0.420 469 V N 1.159 121.116 119.914 0.073 0.000 2.317 469 V HA -0.328 3.792 4.120 0.000 0.000 0.251 469 V C 2.542 178.653 176.094 0.029 0.000 1.065 469 V CA 2.484 64.819 62.300 0.060 0.000 1.049 469 V CB -1.251 30.625 31.823 0.088 0.000 0.651 469 V HN 0.445 nan 8.190 nan 0.000 0.450 470 T N 0.111 114.685 114.554 0.032 0.000 2.770 470 T HA -0.072 4.278 4.350 0.000 0.000 0.263 470 T C 2.062 176.684 174.700 -0.131 0.000 1.039 470 T CA 1.448 63.452 62.100 -0.160 0.000 1.142 470 T CB -0.423 68.428 68.868 -0.030 0.000 0.868 470 T HN 0.578 nan 8.240 nan 0.000 0.435 471 A N 1.088 123.932 122.820 0.041 0.000 1.972 471 A HA 0.025 4.345 4.320 0.000 0.000 0.219 471 A C 2.099 179.720 177.584 0.062 0.000 1.169 471 A CA 1.133 53.230 52.037 0.099 0.000 0.635 471 A CB -0.620 18.475 19.000 0.157 0.000 0.810 471 A HN 0.332 nan 8.150 nan 0.000 0.446 472 L N -0.892 120.358 121.223 0.045 0.000 2.240 472 L HA 0.083 4.424 4.340 0.000 0.000 0.211 472 L C 2.793 179.620 176.870 -0.072 0.000 1.106 472 L CA 1.476 56.331 54.840 0.026 0.000 0.793 472 L CB -0.886 41.186 42.059 0.022 0.000 0.927 472 L HN 0.378 nan 8.230 nan 0.000 0.446 473 A N -0.869 121.875 122.820 -0.126 0.000 2.014 473 A HA -0.071 4.249 4.320 0.000 0.000 0.218 473 A C 2.294 179.755 177.584 -0.204 0.000 1.163 473 A CA 1.056 52.997 52.037 -0.160 0.000 0.652 473 A CB -0.478 18.367 19.000 -0.259 0.000 0.808 473 A HN 0.336 nan 8.150 nan 0.000 0.449 474 I N -0.422 119.999 120.570 -0.247 0.000 2.252 474 I HA -0.223 3.947 4.170 0.000 0.000 0.245 474 I C 2.845 178.804 176.117 -0.264 0.000 1.102 474 I CA 1.119 62.281 61.300 -0.231 0.000 1.385 474 I CB -0.151 37.726 38.000 -0.205 0.000 1.064 474 I HN 0.335 nan 8.210 nan 0.000 0.414 475 A N -0.062 122.537 122.820 -0.368 0.000 2.016 475 A HA 0.137 4.458 4.320 0.000 0.000 0.217 475 A C 2.050 179.492 177.584 -0.237 0.000 1.162 475 A CA 1.127 52.891 52.037 -0.456 0.000 0.662 475 A CB -0.702 17.825 19.000 -0.789 0.000 0.812 475 A HN 0.573 nan 8.150 nan 0.000 0.450 476 G N -2.252 106.458 108.800 -0.151 0.000 2.184 476 G HA2 -0.195 3.765 3.960 0.000 0.000 0.264 476 G HA3 -0.195 3.765 3.960 0.000 0.000 0.264 476 G C 0.427 175.290 174.900 -0.062 0.000 0.975 476 G CA 1.054 46.102 45.100 -0.088 0.000 0.642 476 G HN 1.405 nan 8.290 nan 0.000 0.536 477 T N -0.976 113.543 114.554 -0.059 0.000 2.923 477 T HA 0.532 4.882 4.350 0.000 0.000 0.311 477 T C 1.239 175.924 174.700 -0.024 0.000 1.183 477 T CA -0.271 61.806 62.100 -0.039 0.000 1.020 477 T CB 0.964 69.811 68.868 -0.036 0.000 1.165 477 T HN 0.363 nan 8.240 nan 0.000 0.482 478 L N 2.651 123.835 121.223 -0.066 0.000 2.549 478 L HA 0.058 4.398 4.340 0.000 0.000 0.229 478 L C 2.189 179.018 176.870 -0.069 0.000 1.158 478 L CA 0.478 55.254 54.840 -0.107 0.000 0.842 478 L CB -0.340 41.594 42.059 -0.207 0.000 0.952 478 L HN 0.471 nan 8.230 nan 0.000 0.452 479 K N 0.455 120.839 120.400 -0.027 0.000 2.365 479 K HA -0.022 4.298 4.320 0.000 0.000 0.199 479 K C 0.559 177.174 176.600 0.025 0.000 1.045 479 K CA 0.362 56.640 56.287 -0.014 0.000 0.962 479 K CB -0.187 32.310 32.500 -0.006 0.000 0.759 479 K HN 0.158 nan 8.250 nan 0.000 0.469 480 F N 2.732 122.605 119.950 -0.128 0.000 2.445 480 F HA 0.095 4.623 4.527 0.000 0.000 0.359 480 F C 0.274 175.965 175.800 -0.182 0.000 1.101 480 F CA -0.879 57.030 58.000 -0.152 0.000 1.177 480 F CB 0.445 39.348 39.000 -0.162 0.000 1.110 480 F HN -0.123 nan 8.300 nan 0.000 0.522 481 N N 8.687 126.969 118.700 -0.698 0.000 2.501 481 N HA 0.326 5.066 4.740 0.000 0.000 0.245 481 N C -2.076 172.707 175.510 -1.212 0.000 0.974 481 N CA -2.667 49.957 53.050 -0.710 0.000 0.941 481 N CB 1.400 39.638 38.487 -0.414 0.000 1.122 481 N HN 0.252 nan 8.380 nan 0.000 0.507 482 P HA -0.084 nan 4.420 nan 0.000 0.226 482 P C 0.332 177.043 177.300 -0.983 0.000 1.153 482 P CA 0.995 63.259 63.100 -1.393 0.000 0.777 482 P CB 0.529 31.474 31.700 -1.259 0.000 0.794 483 E N -0.225 119.440 120.200 -0.891 0.000 2.268 483 E HA -0.072 4.278 4.350 0.000 0.000 0.195 483 E C 1.318 177.746 176.600 -0.287 0.000 0.995 483 E CA 1.742 57.848 56.400 -0.489 0.000 0.836 483 E CB -0.108 29.400 29.700 -0.321 0.000 0.763 483 E HN 0.431 nan 8.360 nan 0.000 0.491 484 T N -2.729 111.618 114.554 -0.345 0.000 3.009 484 T HA 0.094 4.444 4.350 0.000 0.000 0.267 484 T C 0.046 174.661 174.700 -0.142 0.000 0.942 484 T CA -0.499 61.487 62.100 -0.190 0.000 0.883 484 T CB 0.397 69.189 68.868 -0.127 0.000 1.192 484 T HN -0.195 nan 8.240 nan 0.000 0.524 485 D N 0.913 121.140 120.400 -0.289 0.000 2.181 485 D HA 0.599 5.239 4.640 0.000 0.000 0.248 485 D C -0.860 175.422 176.300 -0.030 0.000 1.020 485 D CA -0.681 53.288 54.000 -0.051 0.000 0.891 485 D CB 0.947 41.724 40.800 -0.039 0.000 1.187 485 D HN 0.171 nan 8.370 nan 0.000 0.443 486 F N 0.419 120.378 119.950 0.014 0.000 2.377 486 F HA 0.455 4.983 4.527 0.000 0.000 0.328 486 F C 0.083 175.755 175.800 -0.213 0.000 1.094 486 F CA -0.588 57.347 58.000 -0.108 0.000 1.093 486 F CB 0.728 39.664 39.000 -0.106 0.000 1.214 486 F HN -0.005 nan 8.300 nan 0.000 0.518 487 L N 0.546 121.498 121.223 -0.452 0.000 2.309 487 L HA 0.577 4.917 4.340 0.000 0.000 0.261 487 L C -0.511 176.089 176.870 -0.451 0.000 1.021 487 L CA -0.626 53.863 54.840 -0.584 0.000 0.823 487 L CB 2.168 43.660 42.059 -0.945 0.000 1.366 487 L HN 0.407 nan 8.230 nan 0.000 0.423 488 T N 0.521 114.979 114.554 -0.159 0.000 2.756 488 T HA 0.564 4.914 4.350 0.000 0.000 0.290 488 T C 0.415 175.251 174.700 0.228 0.000 0.985 488 T CA -0.618 61.515 62.100 0.055 0.000 0.955 488 T CB 1.209 70.093 68.868 0.028 0.000 0.930 488 T HN 0.788 nan 8.240 nan 0.000 0.451 489 G N 1.692 110.743 108.800 0.419 0.000 2.667 489 G HA2 0.199 4.159 3.960 0.000 0.000 0.250 489 G HA3 0.199 4.159 3.960 0.000 0.000 0.250 489 G C 1.002 176.015 174.900 0.187 0.000 1.212 489 G CA -0.666 44.652 45.100 0.363 0.000 0.874 489 G HN 0.860 nan 8.290 nan 0.000 0.561 490 K N -0.840 119.638 120.400 0.130 0.000 2.362 490 K HA -0.097 4.223 4.320 0.000 0.000 0.200 490 K C 1.110 177.749 176.600 0.065 0.000 1.046 490 K CA 1.575 57.908 56.287 0.077 0.000 0.952 490 K CB 0.083 32.614 32.500 0.051 0.000 0.753 490 K HN 0.503 nan 8.250 nan 0.000 0.466 491 D N 0.637 121.084 120.400 0.079 0.000 2.323 491 D HA 0.006 4.646 4.640 0.000 0.000 0.239 491 D C 0.949 177.295 176.300 0.077 0.000 1.129 491 D CA 0.641 54.681 54.000 0.066 0.000 0.865 491 D CB -0.144 40.694 40.800 0.063 0.000 0.913 491 D HN 0.450 nan 8.370 nan 0.000 0.517 492 G N 0.831 109.681 108.800 0.082 0.000 2.186 492 G HA2 -0.351 3.609 3.960 0.000 0.000 0.266 492 G HA3 -0.351 3.609 3.960 0.000 0.000 0.266 492 G C 0.225 175.179 174.900 0.090 0.000 0.982 492 G CA 0.601 45.745 45.100 0.072 0.000 0.670 492 G HN 0.566 nan 8.290 nan 0.000 0.533 493 K N 0.292 120.774 120.400 0.137 0.000 2.159 493 K HA 0.484 4.804 4.320 0.000 0.000 0.266 493 K C -0.106 176.636 176.600 0.237 0.000 0.975 493 K CA -0.879 55.505 56.287 0.163 0.000 0.865 493 K CB 0.506 33.110 32.500 0.172 0.000 1.087 493 K HN 0.067 nan 8.250 nan 0.000 0.446 494 K N 3.959 124.481 120.400 0.203 0.000 2.276 494 K HA 0.256 4.576 4.320 0.000 0.000 0.283 494 K C -0.475 176.385 176.600 0.433 0.000 1.044 494 K CA -0.171 56.265 56.287 0.248 0.000 0.944 494 K CB 0.152 32.741 32.500 0.148 0.000 1.012 494 K HN 0.408 nan 8.250 nan 0.000 0.472 495 F N -1.129 118.943 119.950 0.203 0.000 2.599 495 F HA 0.620 5.147 4.527 0.000 0.000 0.311 495 F C -0.673 174.924 175.800 -0.338 0.000 1.076 495 F CA -1.316 56.673 58.000 -0.018 0.000 0.937 495 F CB 1.778 40.564 39.000 -0.356 0.000 1.282 495 F HN 0.244 nan 8.300 nan 0.000 0.460 496 K N 2.269 122.312 120.400 -0.595 0.000 2.207 496 K HA 0.585 4.905 4.320 0.000 0.000 0.255 496 K C -1.438 175.090 176.600 -0.120 0.000 0.941 496 K CA -0.974 54.870 56.287 -0.737 0.000 0.825 496 K CB 1.472 33.290 32.500 -1.136 0.000 1.119 496 K HN 0.758 nan 8.250 nan 0.000 0.430 497 L N 4.157 125.390 121.223 0.016 0.000 2.433 497 L HA 0.124 4.464 4.340 0.000 0.000 0.275 497 L C -0.162 176.931 176.870 0.371 0.000 1.128 497 L CA 0.592 55.606 54.840 0.291 0.000 0.875 497 L CB 0.393 42.689 42.059 0.395 0.000 1.171 497 L HN 0.669 nan 8.230 nan 0.000 0.463 498 E N 2.207 122.545 120.200 0.231 0.000 2.404 498 E HA 0.341 4.691 4.350 0.000 0.000 0.261 498 E C 0.034 176.588 176.600 -0.078 0.000 1.074 498 E CA -0.311 56.159 56.400 0.118 0.000 0.917 498 E CB 0.544 30.251 29.700 0.012 0.000 0.965 498 E HN 0.749 nan 8.360 nan 0.000 0.433 499 A N 3.731 126.350 122.820 -0.336 0.000 2.498 499 A HA 0.205 4.526 4.320 0.000 0.000 0.239 499 A C -2.120 174.991 177.584 -0.788 0.000 1.068 499 A CA -1.052 50.303 52.037 -1.137 0.000 0.766 499 A CB -0.331 18.242 19.000 -0.710 0.000 1.003 499 A HN 0.315 nan 8.150 nan 0.000 0.497 500 P HA 0.441 nan 4.420 nan 0.000 0.274 500 P C -0.979 176.125 177.300 -0.327 0.000 1.237 500 P CA -0.089 62.715 63.100 -0.492 0.000 0.793 500 P CB 0.742 32.172 31.700 -0.450 0.000 0.977 501 D N -0.236 120.031 120.400 -0.222 0.000 2.977 501 D HA 0.641 5.282 4.640 0.000 0.000 0.220 501 D C -1.717 174.509 176.300 -0.122 0.000 1.267 501 D CA -0.294 53.616 54.000 -0.151 0.000 0.884 501 D CB 1.631 42.360 40.800 -0.118 0.000 1.667 501 D HN 0.409 nan 8.370 nan 0.000 0.536 502 A N 2.529 125.294 122.820 -0.092 0.000 2.602 502 A HA 0.563 4.883 4.320 0.000 0.000 0.290 502 A C -1.354 176.238 177.584 0.013 0.000 1.114 502 A CA -0.809 51.188 52.037 -0.068 0.000 0.683 502 A CB 1.182 20.083 19.000 -0.166 0.000 1.281 502 A HN 0.413 nan 8.150 nan 0.000 0.416 503 D N 1.212 121.672 120.400 0.100 0.000 2.383 503 D HA 0.120 4.760 4.640 0.000 0.000 0.252 503 D C 1.190 177.633 176.300 0.239 0.000 1.166 503 D CA 0.308 54.415 54.000 0.177 0.000 0.879 503 D CB 1.502 42.477 40.800 0.292 0.000 1.164 503 D HN 0.763 nan 8.370 nan 0.000 0.462 504 E N 2.836 123.128 120.200 0.155 0.000 2.085 504 E HA -0.150 4.201 4.350 0.000 0.000 0.194 504 E C -0.084 176.657 176.600 0.235 0.000 0.994 504 E CA 0.993 57.488 56.400 0.157 0.000 0.801 504 E CB 0.285 30.034 29.700 0.081 0.000 0.743 504 E HN 0.421 nan 8.360 nan 0.000 0.453 505 L N 0.198 121.479 121.223 0.097 0.000 2.341 505 L HA 0.473 4.813 4.340 0.000 0.000 0.254 505 L C -2.378 174.194 176.870 -0.497 0.000 1.040 505 L CA -2.825 51.872 54.840 -0.238 0.000 0.837 505 L CB 2.252 44.169 42.059 -0.236 0.000 1.425 505 L HN -0.041 nan 8.230 nan 0.000 0.414 506 P HA 0.108 nan 4.420 nan 0.000 0.270 506 P C -0.488 176.574 177.300 -0.396 0.000 1.223 506 P CA -0.358 62.268 63.100 -0.790 0.000 0.785 506 P CB 0.787 31.874 31.700 -1.022 0.000 0.923 507 R N 1.086 121.462 120.500 -0.207 0.000 2.075 507 R HA 0.120 4.460 4.340 0.000 0.000 0.226 507 R C 1.367 177.577 176.300 -0.150 0.000 1.114 507 R CA 0.839 56.858 56.100 -0.135 0.000 0.972 507 R CB -1.677 28.582 30.300 -0.068 0.000 0.869 507 R HN 0.540 nan 8.270 nan 0.000 0.437 508 A N 2.021 124.745 122.820 -0.160 0.000 2.301 508 A HA 0.280 4.601 4.320 0.000 0.000 0.287 508 A C -0.230 177.236 177.584 -0.196 0.000 1.274 508 A CA -0.543 51.411 52.037 -0.138 0.000 0.865 508 A CB 0.035 18.975 19.000 -0.100 0.000 1.324 508 A HN 0.302 nan 8.150 nan 0.000 0.508 509 E N -0.787 119.334 120.200 -0.131 0.000 2.418 509 E HA 0.280 4.630 4.350 0.000 0.000 0.261 509 E C -1.166 175.365 176.600 -0.115 0.000 1.070 509 E CA -0.099 56.238 56.400 -0.105 0.000 0.931 509 E CB -0.080 29.600 29.700 -0.033 0.000 0.954 509 E HN 0.284 nan 8.360 nan 0.000 0.439 510 F N 1.319 121.189 119.950 -0.133 0.000 2.484 510 F HA 0.068 4.595 4.527 0.000 0.000 0.360 510 F C 0.946 176.703 175.800 -0.072 0.000 1.101 510 F CA 0.145 58.066 58.000 -0.133 0.000 1.251 510 F CB 0.592 39.512 39.000 -0.134 0.000 1.132 510 F HN 0.477 nan 8.300 nan 0.000 0.570 511 D N 6.161 126.660 120.400 0.164 0.000 2.343 511 D HA 0.085 4.726 4.640 0.000 0.000 0.255 511 D C -1.514 174.843 176.300 0.094 0.000 1.187 511 D CA -1.926 52.131 54.000 0.095 0.000 0.875 511 D CB 1.472 42.312 40.800 0.067 0.000 1.136 511 D HN 0.205 nan 8.370 nan 0.000 0.469 512 P HA -0.004 nan 4.420 nan 0.000 0.226 512 P C 0.886 178.220 177.300 0.058 0.000 1.153 512 P CA 0.841 63.977 63.100 0.059 0.000 0.777 512 P CB 0.298 32.038 31.700 0.066 0.000 0.794 513 G N 0.455 109.286 108.800 0.052 0.000 2.539 513 G HA2 -0.276 3.684 3.960 0.000 0.000 0.256 513 G HA3 -0.276 3.684 3.960 0.000 0.000 0.256 513 G C -0.531 174.396 174.900 0.045 0.000 1.233 513 G CA 0.216 45.343 45.100 0.045 0.000 0.936 513 G HN 0.650 nan 8.290 nan 0.000 0.571 514 Q N 0.788 120.613 119.800 0.042 0.000 2.299 514 Q HA 0.468 4.809 4.340 0.000 0.000 0.246 514 Q C 0.103 176.135 176.000 0.053 0.000 0.935 514 Q CA -0.055 55.771 55.803 0.038 0.000 0.887 514 Q CB 0.796 29.550 28.738 0.026 0.000 1.223 514 Q HN 0.509 nan 8.270 nan 0.000 0.439 515 D N 2.073 122.498 120.400 0.042 0.000 2.389 515 D HA -0.011 4.630 4.640 0.000 0.000 0.263 515 D C -0.070 176.246 176.300 0.027 0.000 1.255 515 D CA 0.801 54.826 54.000 0.042 0.000 0.914 515 D CB 0.664 41.480 40.800 0.026 0.000 1.116 515 D HN 0.769 nan 8.370 nan 0.000 0.502 516 T N 0.549 115.129 114.554 0.043 0.000 3.058 516 T HA 0.011 4.361 4.350 0.000 0.000 0.278 516 T C 0.379 175.012 174.700 -0.111 0.000 0.974 516 T CA -0.436 61.666 62.100 0.004 0.000 0.893 516 T CB -0.037 68.880 68.868 0.081 0.000 1.138 516 T HN 0.245 nan 8.240 nan 0.000 0.529 517 Y N 2.434 122.498 120.300 -0.393 0.000 2.301 517 Y HA 0.587 5.137 4.550 0.000 0.000 0.325 517 Y C 0.029 175.698 175.900 -0.384 0.000 1.203 517 Y CA -0.925 56.711 58.100 -0.773 0.000 1.255 517 Y CB 1.230 38.976 38.460 -1.189 0.000 1.232 517 Y HN 0.176 nan 8.280 nan 0.000 0.501 518 Q N 4.938 124.018 119.800 -1.201 0.000 2.533 518 Q HA 0.184 4.524 4.340 0.000 0.000 0.251 518 Q C -1.535 173.886 176.000 -0.965 0.000 0.966 518 Q CA -0.514 54.875 55.803 -0.689 0.000 0.714 518 Q CB 0.336 28.959 28.738 -0.190 0.000 1.284 518 Q HN 0.797 nan 8.270 nan 0.000 0.478 519 H N 4.390 123.027 119.070 -0.721 0.000 2.732 519 H HA 0.213 4.769 4.556 0.000 0.000 0.351 519 H C -2.060 173.173 175.328 -0.157 0.000 1.090 519 H CA -1.301 54.581 56.048 -0.277 0.000 1.431 519 H CB 1.186 31.044 29.762 0.160 0.000 1.447 519 H HN 0.521 nan 8.280 nan 0.000 0.582 520 P HA 0.019 nan 4.420 nan 0.000 0.262 520 P C -2.600 174.697 177.300 -0.005 0.000 1.199 520 P CA -1.211 61.792 63.100 -0.161 0.000 0.763 520 P CB 0.033 31.613 31.700 -0.200 0.000 0.790 521 P HA 0.061 nan 4.420 nan 0.000 0.244 521 P C -0.049 177.241 177.300 -0.018 0.000 1.723 521 P CA -0.016 63.084 63.100 -0.001 0.000 1.110 521 P CB -0.030 31.654 31.700 -0.026 0.000 1.972 522 K N 3.046 123.450 120.400 0.007 0.000 2.518 522 K HA 0.161 4.481 4.320 0.000 0.000 0.244 522 K C -0.094 176.504 176.600 -0.004 0.000 1.232 522 K CA -0.005 56.279 56.287 -0.006 0.000 1.189 522 K CB 0.470 32.975 32.500 0.009 0.000 1.737 522 K HN 0.344 nan 8.250 nan 0.000 0.333 523 D N -1.296 119.094 120.400 -0.016 0.000 2.906 523 D HA -0.030 4.611 4.640 0.000 0.000 0.162 523 D C 1.454 177.739 176.300 -0.025 0.000 1.360 523 D CA 0.100 54.089 54.000 -0.018 0.000 1.565 523 D CB -0.517 40.273 40.800 -0.018 0.000 1.429 523 D HN 0.111 nan 8.370 nan 0.000 0.185 524 S N 0.338 116.020 115.700 -0.030 0.000 2.387 524 S HA -0.036 4.434 4.470 0.000 0.000 0.226 524 S C 1.338 175.908 174.600 -0.050 0.000 1.026 524 S CA 1.438 59.616 58.200 -0.036 0.000 0.972 524 S CB -0.163 63.017 63.200 -0.034 0.000 0.814 524 S HN 0.297 nan 8.310 nan 0.000 0.477 525 S N 1.164 116.827 115.700 -0.061 0.000 4.159 525 S HA -0.258 4.212 4.470 0.000 0.000 0.538 525 S C 1.817 176.361 174.600 -0.093 0.000 1.856 525 S CA 1.819 59.964 58.200 -0.091 0.000 4.240 525 S CB -2.043 61.093 63.200 -0.107 0.000 0.335 525 S HN 1.895 nan 8.310 nan 0.000 0.455 526 G N 3.301 112.046 108.800 -0.091 0.000 4.766 526 G HA2 -0.431 3.529 3.960 0.000 0.000 0.314 526 G HA3 -0.431 3.529 3.960 0.000 0.000 0.314 526 G C 0.012 174.856 174.900 -0.092 0.000 1.427 526 G CA 1.422 46.475 45.100 -0.079 0.000 1.024 526 G HN 1.744 nan 8.290 nan 0.000 0.754 527 Q N 3.305 123.052 119.800 -0.089 0.000 2.304 527 Q HA 0.184 4.525 4.340 0.000 0.000 0.315 527 Q C 0.236 176.173 176.000 -0.106 0.000 1.075 527 Q CA 0.859 56.610 55.803 -0.086 0.000 0.988 527 Q CB 0.190 28.878 28.738 -0.083 0.000 1.146 527 Q HN 0.712 nan 8.270 nan 0.000 0.383 528 R N 1.928 122.383 120.500 -0.075 0.000 2.500 528 R HA 0.529 4.870 4.340 0.000 0.000 0.277 528 R C -0.428 175.853 176.300 -0.033 0.000 1.026 528 R CA -0.754 55.309 56.100 -0.061 0.000 1.058 528 R CB 1.513 31.795 30.300 -0.030 0.000 1.078 528 R HN 0.534 nan 8.270 nan 0.000 0.509 529 V N 3.238 123.151 119.914 -0.002 0.000 2.364 529 V HA 0.189 4.310 4.120 0.000 0.000 0.272 529 V C -1.006 175.161 176.094 0.121 0.000 1.036 529 V CA -0.318 62.020 62.300 0.065 0.000 0.880 529 V CB 0.908 32.770 31.823 0.065 0.000 0.991 529 V HN 0.673 nan 8.190 nan 0.000 0.460 530 D N 5.362 125.831 120.400 0.114 0.000 2.192 530 D HA 0.458 5.098 4.640 0.000 0.000 0.246 530 D C -0.439 175.928 176.300 0.111 0.000 1.042 530 D CA -0.052 54.003 54.000 0.091 0.000 0.847 530 D CB 2.318 43.148 40.800 0.049 0.000 1.186 530 D HN 0.553 nan 8.370 nan 0.000 0.461 531 V N -0.451 119.500 119.914 0.060 0.000 2.487 531 V HA 0.446 4.566 4.120 0.000 0.000 0.298 531 V C 0.183 176.268 176.094 -0.016 0.000 1.028 531 V CA -0.754 61.541 62.300 -0.009 0.000 0.860 531 V CB 1.704 33.443 31.823 -0.140 0.000 0.991 531 V HN 0.475 nan 8.190 nan 0.000 0.427 532 S N 5.814 121.508 115.700 -0.010 0.000 2.575 532 S HA 0.216 4.686 4.470 0.000 0.000 0.295 532 S C -1.065 173.529 174.600 -0.010 0.000 1.267 532 S CA -0.103 58.097 58.200 -0.001 0.000 1.074 532 S CB 0.794 64.000 63.200 0.010 0.000 0.829 532 S HN 0.887 nan 8.310 nan 0.000 0.497 533 P HA -0.045 nan 4.420 nan 0.000 0.223 533 P C 0.962 178.266 177.300 0.007 0.000 1.144 533 P CA 1.061 64.154 63.100 -0.010 0.000 0.783 533 P CB -0.098 31.598 31.700 -0.007 0.000 0.771 534 T N -6.231 108.335 114.554 0.020 0.000 3.092 534 T HA 0.192 4.542 4.350 0.000 0.000 0.258 534 T C 0.720 175.456 174.700 0.061 0.000 1.031 534 T CA -0.353 61.771 62.100 0.040 0.000 0.925 534 T CB -0.533 68.353 68.868 0.029 0.000 1.036 534 T HN -0.078 nan 8.240 nan 0.000 0.544 535 S N 1.486 117.223 115.700 0.063 0.000 2.549 535 S HA 0.088 4.559 4.470 0.000 0.000 0.286 535 S C 1.206 175.921 174.600 0.190 0.000 1.314 535 S CA -0.442 57.812 58.200 0.090 0.000 1.062 535 S CB 0.598 63.833 63.200 0.058 0.000 0.865 535 S HN 0.301 nan 8.310 nan 0.000 0.498 536 Q N 3.327 123.214 119.800 0.146 0.000 2.425 536 Q HA 0.164 4.504 4.340 0.000 0.000 0.204 536 Q C 1.466 177.600 176.000 0.223 0.000 0.933 536 Q CA 0.737 56.598 55.803 0.097 0.000 0.939 536 Q CB 0.129 28.916 28.738 0.081 0.000 1.044 536 Q HN 0.677 nan 8.270 nan 0.000 0.513 537 R N -1.096 119.551 120.500 0.244 0.000 2.287 537 R HA 0.314 4.654 4.340 0.000 0.000 0.197 537 R C 0.134 176.546 176.300 0.186 0.000 0.900 537 R CA 0.151 56.383 56.100 0.220 0.000 1.052 537 R CB 0.957 31.285 30.300 0.047 0.000 1.117 537 R HN 0.016 nan 8.270 nan 0.000 0.568 538 L N 1.035 122.321 121.223 0.106 0.000 2.408 538 L HA 0.423 4.764 4.340 0.000 0.000 0.268 538 L C -0.860 175.935 176.870 -0.125 0.000 0.986 538 L CA -0.600 54.187 54.840 -0.087 0.000 0.820 538 L CB 2.299 44.189 42.059 -0.281 0.000 1.303 538 L HN -0.058 nan 8.230 nan 0.000 0.411 539 Q N 3.371 123.018 119.800 -0.255 0.000 2.309 539 Q HA 0.472 4.812 4.340 0.000 0.000 0.273 539 Q C -1.728 174.118 176.000 -0.255 0.000 1.040 539 Q CA -0.735 54.873 55.803 -0.325 0.000 0.834 539 Q CB 2.533 30.872 28.738 -0.665 0.000 1.345 539 Q HN 0.587 nan 8.270 nan 0.000 0.414 540 L N 3.309 124.417 121.223 -0.193 0.000 2.456 540 L HA 0.212 4.552 4.340 0.000 0.000 0.272 540 L C 0.245 177.006 176.870 -0.182 0.000 1.189 540 L CA -0.210 54.537 54.840 -0.156 0.000 0.846 540 L CB 0.260 42.254 42.059 -0.109 0.000 1.111 540 L HN 0.524 nan 8.230 nan 0.000 0.475 541 L N 3.605 124.718 121.223 -0.184 0.000 2.418 541 L HA 0.107 4.448 4.340 0.000 0.000 0.274 541 L C 0.535 177.258 176.870 -0.245 0.000 1.135 541 L CA -0.168 54.525 54.840 -0.245 0.000 0.870 541 L CB 0.258 42.160 42.059 -0.261 0.000 1.154 541 L HN 0.549 nan 8.230 nan 0.000 0.462 542 E N 5.248 125.292 120.200 -0.259 0.000 2.289 542 E HA 0.240 4.590 4.350 0.000 0.000 0.278 542 E C -2.068 174.352 176.600 -0.300 0.000 1.032 542 E CA -1.782 54.495 56.400 -0.206 0.000 0.854 542 E CB 1.006 30.628 29.700 -0.129 0.000 1.046 542 E HN 0.284 nan 8.360 nan 0.000 0.409 543 P HA -0.022 nan 4.420 nan 0.000 0.262 543 P C -0.345 176.888 177.300 -0.111 0.000 1.182 543 P CA 0.252 63.238 63.100 -0.190 0.000 0.761 543 P CB 0.106 31.755 31.700 -0.085 0.000 0.795 544 F N 1.882 121.826 119.950 -0.010 0.000 2.490 544 F HA 0.083 4.610 4.527 0.000 0.000 0.336 544 F C 1.476 177.273 175.800 -0.006 0.000 1.178 544 F CA -0.356 57.645 58.000 0.002 0.000 1.301 544 F CB -0.104 38.897 39.000 0.001 0.000 1.175 544 F HN 0.347 nan 8.300 nan 0.000 0.593 545 D N 1.438 121.969 120.400 0.217 0.000 2.372 545 D HA 0.074 4.714 4.640 0.000 0.000 0.243 545 D C -0.322 176.020 176.300 0.070 0.000 1.121 545 D CA -0.486 53.574 54.000 0.101 0.000 0.898 545 D CB 0.562 41.402 40.800 0.067 0.000 1.202 545 D HN 0.421 nan 8.370 nan 0.000 0.428 546 K N 1.298 121.723 120.400 0.043 0.000 2.295 546 K HA 0.104 4.424 4.320 0.000 0.000 0.270 546 K C -0.529 176.098 176.600 0.045 0.000 1.011 546 K CA -0.808 55.499 56.287 0.034 0.000 0.953 546 K CB 0.484 32.994 32.500 0.018 0.000 0.956 546 K HN 0.553 nan 8.250 nan 0.000 0.477 547 W N 4.512 125.687 121.300 -0.208 0.000 2.210 547 W HA 0.001 4.661 4.660 0.000 0.000 0.330 547 W C 0.421 176.855 176.519 -0.142 0.000 1.334 547 W CA -0.362 56.829 57.345 -0.257 0.000 1.227 547 W CB 0.415 29.591 29.460 -0.473 0.000 1.178 547 W HN 0.703 nan 8.180 nan 0.000 0.560 548 D N 2.446 122.575 120.400 -0.452 0.000 2.363 548 D HA 0.087 4.727 4.640 0.000 0.000 0.226 548 D C 1.699 177.507 176.300 -0.820 0.000 1.020 548 D CA 0.723 54.428 54.000 -0.492 0.000 0.892 548 D CB -0.342 40.293 40.800 -0.274 0.000 0.900 548 D HN 0.744 nan 8.370 nan 0.000 0.531 549 G N -0.319 107.378 108.800 -1.839 0.000 2.159 549 G HA2 -0.303 3.658 3.960 0.000 0.000 0.256 549 G HA3 -0.303 3.658 3.960 0.000 0.000 0.256 549 G C 0.201 174.499 174.900 -1.002 0.000 0.977 549 G CA 0.380 44.368 45.100 -1.853 0.000 0.652 549 G HN 0.490 nan 8.290 nan 0.000 0.531 550 K N 0.182 120.211 120.400 -0.618 0.000 2.211 550 K HA 0.512 4.832 4.320 0.000 0.000 0.237 550 K C -0.572 176.141 176.600 0.188 0.000 1.002 550 K CA -1.065 55.146 56.287 -0.127 0.000 0.885 550 K CB 0.965 33.396 32.500 -0.115 0.000 1.136 550 K HN 0.027 nan 8.250 nan 0.000 0.448 551 D N 1.058 121.535 120.400 0.129 0.000 2.357 551 D HA 0.107 4.747 4.640 0.000 0.000 0.242 551 D C -0.138 176.221 176.300 0.097 0.000 1.153 551 D CA 0.038 54.113 54.000 0.125 0.000 0.918 551 D CB 0.564 41.391 40.800 0.045 0.000 1.181 551 D HN 0.206 nan 8.370 nan 0.000 0.435 552 L N 2.009 123.263 121.223 0.052 0.000 2.288 552 L HA 0.216 4.556 4.340 0.000 0.000 0.283 552 L C 0.422 177.282 176.870 -0.016 0.000 1.072 552 L CA -0.196 54.652 54.840 0.013 0.000 0.862 552 L CB 0.068 42.110 42.059 -0.029 0.000 1.245 552 L HN 0.120 nan 8.230 nan 0.000 0.432 553 E N 1.982 122.176 120.200 -0.009 0.000 2.191 553 E HA 0.206 4.556 4.350 0.000 0.000 0.274 553 E C -0.613 175.974 176.600 -0.021 0.000 0.948 553 E CA -0.813 55.576 56.400 -0.018 0.000 0.802 553 E CB 1.506 31.199 29.700 -0.012 0.000 1.137 553 E HN 0.346 nan 8.360 nan 0.000 0.397 554 D N 1.402 121.786 120.400 -0.027 0.000 2.699 554 D HA -0.168 4.472 4.640 0.000 0.000 0.239 554 D C -1.099 175.183 176.300 -0.030 0.000 1.136 554 D CA 0.574 54.557 54.000 -0.028 0.000 0.668 554 D CB -0.944 39.842 40.800 -0.023 0.000 1.060 554 D HN 0.329 nan 8.370 nan 0.000 0.429 555 L N 0.207 121.414 121.223 -0.027 0.000 2.331 555 L HA 0.299 4.639 4.340 0.000 0.000 0.278 555 L C 0.991 177.854 176.870 -0.011 0.000 1.106 555 L CA -0.425 54.406 54.840 -0.015 0.000 0.824 555 L CB 0.901 42.953 42.059 -0.012 0.000 1.142 555 L HN 0.062 nan 8.230 nan 0.000 0.443 556 Q N 3.170 122.961 119.800 -0.015 0.000 2.288 556 Q HA 0.350 4.690 4.340 0.000 0.000 0.254 556 Q C -0.708 175.330 176.000 0.064 0.000 0.932 556 Q CA 0.097 55.871 55.803 -0.049 0.000 0.902 556 Q CB 1.087 29.675 28.738 -0.250 0.000 1.203 556 Q HN 0.491 nan 8.270 nan 0.000 0.415 557 I N 6.002 126.605 120.570 0.055 0.000 2.308 557 I HA 0.009 4.179 4.170 0.000 0.000 0.293 557 I C 0.846 177.027 176.117 0.107 0.000 1.078 557 I CA -0.282 61.075 61.300 0.096 0.000 1.292 557 I CB 0.683 38.713 38.000 0.050 0.000 1.423 557 I HN 0.770 nan 8.210 nan 0.000 0.493 558 L N 8.534 129.835 121.223 0.129 0.000 2.017 558 L HA 0.138 4.478 4.340 0.000 0.000 0.208 558 L C 0.435 177.270 176.870 -0.059 0.000 1.073 558 L CA 2.016 56.833 54.840 -0.038 0.000 0.745 558 L CB 0.124 41.872 42.059 -0.518 0.000 0.894 558 L HN 0.568 nan 8.230 nan 0.000 0.432 559 I N -1.153 119.412 120.570 -0.010 0.000 2.787 559 I HA 0.238 4.409 4.170 0.000 0.000 0.294 559 I C -1.245 174.901 176.117 0.047 0.000 1.365 559 I CA -0.854 60.452 61.300 0.008 0.000 1.029 559 I CB 1.534 39.531 38.000 -0.006 0.000 1.313 559 I HN -0.053 nan 8.210 nan 0.000 0.431 560 K N 6.819 127.242 120.400 0.038 0.000 2.334 560 K HA 0.583 4.903 4.320 0.000 0.000 0.265 560 K C -1.662 174.990 176.600 0.086 0.000 1.039 560 K CA -0.509 55.799 56.287 0.036 0.000 0.920 560 K CB 1.319 33.790 32.500 -0.048 0.000 1.160 560 K HN 0.458 nan 8.250 nan 0.000 0.451 561 V N 3.773 123.776 119.914 0.150 0.000 2.546 561 V HA 0.217 4.337 4.120 0.000 0.000 0.284 561 V C -0.014 176.196 176.094 0.194 0.000 1.050 561 V CA -0.580 61.809 62.300 0.148 0.000 0.981 561 V CB 1.259 33.181 31.823 0.166 0.000 0.990 561 V HN 0.621 nan 8.190 nan 0.000 0.474 562 K N 3.094 123.564 120.400 0.116 0.000 2.213 562 K HA 0.667 4.987 4.320 0.000 0.000 0.270 562 K C 0.351 176.949 176.600 -0.003 0.000 1.002 562 K CA 0.952 57.296 56.287 0.094 0.000 0.868 562 K CB 0.799 33.345 32.500 0.077 0.000 1.093 562 K HN 1.065 nan 8.250 nan 0.000 0.454 563 G N 2.990 111.771 108.800 -0.033 0.000 2.553 563 G HA2 -0.290 3.670 3.960 0.000 0.000 0.242 563 G HA3 -0.290 3.670 3.960 0.000 0.000 0.242 563 G C -0.890 173.934 174.900 -0.127 0.000 1.277 563 G CA -0.203 44.847 45.100 -0.083 0.000 0.910 563 G HN 0.716 nan 8.290 nan 0.000 0.576 564 K N -0.155 120.141 120.400 -0.174 0.000 2.366 564 K HA 0.284 4.605 4.320 0.000 0.000 0.279 564 K C -0.172 176.161 176.600 -0.445 0.000 1.098 564 K CA 0.395 56.532 56.287 -0.250 0.000 1.087 564 K CB -0.624 31.742 32.500 -0.223 0.000 0.901 564 K HN 0.748 nan 8.250 nan 0.000 0.463 565 C N 6.085 125.175 119.300 -0.349 0.000 2.357 565 C HA 0.267 4.727 4.460 0.000 0.000 0.300 565 C C 0.510 175.262 174.990 -0.397 0.000 1.074 565 C CA -0.524 58.233 59.018 -0.435 0.000 1.566 565 C CB -0.940 26.662 27.740 -0.230 0.000 1.791 565 C HN 0.931 nan 8.230 nan 0.000 0.415 566 T N 1.042 115.461 114.554 -0.225 0.000 2.816 566 T HA 0.222 4.572 4.350 0.000 0.000 0.282 566 T C 1.389 176.003 174.700 -0.144 0.000 0.993 566 T CA 0.489 62.482 62.100 -0.179 0.000 0.994 566 T CB 1.096 69.771 68.868 -0.321 0.000 1.025 566 T HN 0.701 nan 8.240 nan 0.000 0.529 567 T N -1.563 112.913 114.554 -0.131 0.000 3.025 567 T HA -0.057 4.294 4.350 0.000 0.000 0.270 567 T C 1.127 175.811 174.700 -0.027 0.000 1.126 567 T CA 0.852 62.876 62.100 -0.126 0.000 1.105 567 T CB -0.366 68.460 68.868 -0.070 0.000 0.884 567 T HN 0.638 nan 8.240 nan 0.000 0.522 568 D N 0.818 121.224 120.400 0.009 0.000 2.323 568 D HA 0.021 4.662 4.640 0.000 0.000 0.209 568 D C 1.586 177.806 176.300 -0.133 0.000 0.973 568 D CA 0.707 54.701 54.000 -0.011 0.000 0.874 568 D CB -0.078 40.769 40.800 0.077 0.000 0.930 568 D HN 0.592 nan 8.370 nan 0.000 0.521 569 H N -0.247 118.771 119.070 -0.088 0.000 2.482 569 H HA 0.161 4.717 4.556 0.000 0.000 0.286 569 H C 2.032 177.308 175.328 -0.087 0.000 1.017 569 H CA 0.606 56.600 56.048 -0.091 0.000 1.322 569 H CB 0.413 30.095 29.762 -0.133 0.000 1.426 569 H HN 0.098 nan 8.280 nan 0.000 0.546 570 I N -1.467 119.099 120.570 -0.007 0.000 2.494 570 I HA -0.027 4.143 4.170 0.000 0.000 0.250 570 I C 0.534 176.637 176.117 -0.023 0.000 1.112 570 I CA 0.545 61.840 61.300 -0.009 0.000 1.438 570 I CB 0.481 38.443 38.000 -0.063 0.000 1.111 570 I HN -0.023 nan 8.210 nan 0.000 0.431 571 S N 0.966 116.643 115.700 -0.038 0.000 2.496 571 S HA 0.648 5.118 4.470 0.000 0.000 0.221 571 S C -0.218 174.348 174.600 -0.057 0.000 1.260 571 S CA -0.743 57.421 58.200 -0.061 0.000 1.181 571 S CB 0.240 63.465 63.200 0.041 0.000 1.136 571 S HN 0.219 nan 8.310 nan 0.000 0.467 572 A N 3.179 125.925 122.820 -0.123 0.000 2.448 572 A HA 0.758 5.078 4.320 0.000 0.000 0.239 572 A C 0.991 178.665 177.584 0.149 0.000 1.080 572 A CA 0.434 52.476 52.037 0.010 0.000 0.779 572 A CB -0.006 19.011 19.000 0.029 0.000 1.026 572 A HN 1.146 nan 8.150 nan 0.000 0.499 573 A N 0.301 123.248 122.820 0.211 0.000 3.888 573 A HA 0.830 5.151 4.320 0.000 0.000 0.158 573 A C 1.598 179.341 177.584 0.265 0.000 1.485 573 A CA 0.609 52.782 52.037 0.227 0.000 1.261 573 A CB -0.846 18.254 19.000 0.168 0.000 1.670 573 A HN 2.772 nan 8.150 nan 0.000 0.661 574 G N -0.476 108.431 108.800 0.178 0.000 2.602 574 G HA2 -0.276 3.684 3.960 0.000 0.000 0.310 574 G HA3 -0.276 3.684 3.960 0.000 0.000 0.310 574 G C -0.838 174.094 174.900 0.053 0.000 1.183 574 G CA 0.778 45.958 45.100 0.133 0.000 0.979 574 G HN 0.847 nan 8.290 nan 0.000 0.545 575 P HA 0.007 nan 4.420 nan 0.000 0.230 575 P C 1.102 178.147 177.300 -0.426 0.000 1.158 575 P CA 1.785 64.726 63.100 -0.264 0.000 0.769 575 P CB -0.195 31.298 31.700 -0.345 0.000 0.807 576 W N -0.250 121.070 121.300 0.032 0.000 2.770 576 W HA 0.200 4.860 4.660 0.000 0.000 0.256 576 W C 2.216 178.733 176.519 -0.002 0.000 1.291 576 W CA -0.183 57.210 57.345 0.081 0.000 1.396 576 W CB -0.785 28.742 29.460 0.113 0.000 1.114 576 W HN -0.178 nan 8.180 nan 0.000 0.637 577 L N 1.047 122.326 121.223 0.092 0.000 2.191 577 L HA -0.217 4.124 4.340 0.000 0.000 0.212 577 L C 2.564 179.387 176.870 -0.079 0.000 1.103 577 L CA 1.322 56.177 54.840 0.025 0.000 0.769 577 L CB -0.769 41.316 42.059 0.044 0.000 0.908 577 L HN 0.004 nan 8.230 nan 0.000 0.438 578 K N 0.855 121.101 120.400 -0.257 0.000 2.362 578 K HA -0.187 4.133 4.320 0.000 0.000 0.202 578 K C 0.977 177.270 176.600 -0.512 0.000 1.045 578 K CA 1.510 57.510 56.287 -0.478 0.000 0.936 578 K CB -0.065 31.973 32.500 -0.769 0.000 0.747 578 K HN 0.312 nan 8.250 nan 0.000 0.467 579 F N -0.091 119.888 119.950 0.048 0.000 2.735 579 F HA 0.313 4.840 4.527 0.000 0.000 0.304 579 F C 1.285 177.144 175.800 0.099 0.000 1.119 579 F CA -0.941 57.113 58.000 0.091 0.000 1.280 579 F CB 0.595 39.685 39.000 0.150 0.000 0.994 579 F HN -0.201 nan 8.300 nan 0.000 0.520 580 R N 0.452 121.035 120.500 0.139 0.000 2.285 580 R HA 0.001 4.341 4.340 0.000 0.000 0.213 580 R C 1.953 178.390 176.300 0.227 0.000 1.068 580 R CA 0.909 57.032 56.100 0.038 0.000 1.004 580 R CB -0.612 29.648 30.300 -0.065 0.000 0.873 580 R HN 0.419 nan 8.270 nan 0.000 0.467 581 G N -1.303 107.607 108.800 0.184 0.000 2.986 581 G HA2 -0.089 3.871 3.960 0.000 0.000 0.213 581 G HA3 -0.089 3.871 3.960 0.000 0.000 0.213 581 G C 0.170 175.139 174.900 0.115 0.000 1.156 581 G CA -0.126 45.038 45.100 0.107 0.000 0.763 581 G HN 0.195 nan 8.290 nan 0.000 0.547 582 H N 0.946 120.093 119.070 0.129 0.000 2.718 582 H HA 0.282 4.838 4.556 0.000 0.000 0.295 582 H C 0.633 176.003 175.328 0.069 0.000 1.051 582 H CA -0.735 55.362 56.048 0.081 0.000 1.260 582 H CB 1.642 31.481 29.762 0.128 0.000 1.403 582 H HN 0.015 nan 8.280 nan 0.000 0.488 583 L N 4.072 125.324 121.223 0.048 0.000 2.131 583 L HA -0.093 4.247 4.340 0.000 0.000 0.210 583 L C 1.744 178.635 176.870 0.034 0.000 1.092 583 L CA 1.912 56.764 54.840 0.020 0.000 0.759 583 L CB -0.307 41.641 42.059 -0.185 0.000 0.903 583 L HN 0.606 nan 8.230 nan 0.000 0.435 584 D N -1.422 119.041 120.400 0.105 0.000 2.149 584 D HA -0.159 4.481 4.640 0.000 0.000 0.201 584 D C 1.796 178.202 176.300 0.177 0.000 0.972 584 D CA 0.846 54.986 54.000 0.234 0.000 0.835 584 D CB 0.066 41.032 40.800 0.277 0.000 0.966 584 D HN 0.272 nan 8.370 nan 0.000 0.476 585 N N 0.094 118.846 118.700 0.086 0.000 2.270 585 N HA -0.059 4.681 4.740 0.000 0.000 0.181 585 N C 1.764 177.182 175.510 -0.154 0.000 1.016 585 N CA 0.372 53.196 53.050 -0.376 0.000 0.870 585 N CB -0.143 37.636 38.487 -1.180 0.000 0.979 585 N HN 0.341 nan 8.380 nan 0.000 0.431 586 I N 0.317 120.962 120.570 0.125 0.000 2.761 586 I HA -0.083 4.087 4.170 0.000 0.000 0.261 586 I C 1.028 177.227 176.117 0.137 0.000 1.198 586 I CA 0.533 62.012 61.300 0.299 0.000 1.482 586 I CB 0.077 38.290 38.000 0.355 0.000 1.100 586 I HN -0.038 nan 8.210 nan 0.000 0.445 587 S N 1.409 117.200 115.700 0.152 0.000 2.500 587 S HA -0.099 4.371 4.470 0.000 0.000 0.239 587 S C 1.394 176.016 174.600 0.036 0.000 0.989 587 S CA 0.698 58.985 58.200 0.145 0.000 0.951 587 S CB -0.451 62.939 63.200 0.317 0.000 0.759 587 S HN 0.521 nan 8.310 nan 0.000 0.523 588 N N 2.730 121.437 118.700 0.011 0.000 2.571 588 N HA -0.033 4.707 4.740 0.000 0.000 0.189 588 N C 1.041 176.371 175.510 -0.301 0.000 1.154 588 N CA 0.461 53.504 53.050 -0.012 0.000 0.907 588 N CB -0.406 38.191 38.487 0.183 0.000 0.977 588 N HN 0.797 nan 8.380 nan 0.000 0.449 589 N N 0.025 118.287 118.700 -0.731 0.000 2.270 589 N HA -0.012 4.728 4.740 0.000 0.000 0.198 589 N C 0.118 175.401 175.510 -0.377 0.000 1.117 589 N CA -0.425 52.093 53.050 -0.887 0.000 0.845 589 N CB 0.168 37.681 38.487 -1.625 0.000 0.980 589 N HN -0.074 nan 8.380 nan 0.000 0.486 590 L N 2.383 123.494 121.223 -0.186 0.000 2.700 590 L HA -0.064 4.276 4.340 0.000 0.000 0.276 590 L C 0.639 177.476 176.870 -0.055 0.000 1.200 590 L CA 0.769 55.574 54.840 -0.059 0.000 0.951 590 L CB -0.641 41.437 42.059 0.032 0.000 1.226 590 L HN 0.324 nan 8.230 nan 0.000 0.489 591 L N 4.381 125.591 121.223 -0.021 0.000 4.312 591 L HA -0.327 4.013 4.340 0.000 0.000 0.427 591 L C 1.614 178.480 176.870 -0.006 0.000 1.149 591 L CA 0.882 55.729 54.840 0.011 0.000 0.978 591 L CB -1.469 40.612 42.059 0.036 0.000 1.963 591 L HN 0.850 nan 8.230 nan 0.000 0.970 592 I N -3.732 116.809 120.570 -0.048 0.000 2.850 592 I HA -0.064 4.106 4.170 0.000 0.000 0.266 592 I C 1.901 178.032 176.117 0.022 0.000 1.257 592 I CA 1.705 62.992 61.300 -0.021 0.000 1.465 592 I CB -0.440 37.542 38.000 -0.031 0.000 1.091 592 I HN 0.268 nan 8.210 nan 0.000 0.467 593 G N 0.792 109.617 108.800 0.042 0.000 2.921 593 G HA2 0.475 4.435 3.960 0.000 0.000 0.213 593 G HA3 0.475 4.435 3.960 0.000 0.000 0.213 593 G C 0.814 175.842 174.900 0.212 0.000 1.143 593 G CA 0.321 45.487 45.100 0.109 0.000 0.764 593 G HN 0.548 nan 8.290 nan 0.000 0.542 594 A N 0.926 123.827 122.820 0.134 0.000 2.498 594 A HA 0.469 4.790 4.320 0.000 0.000 0.239 594 A C 0.159 177.772 177.584 0.048 0.000 1.068 594 A CA -0.015 52.063 52.037 0.067 0.000 0.766 594 A CB 0.264 19.303 19.000 0.064 0.000 1.003 594 A HN 0.136 nan 8.150 nan 0.000 0.497 595 I N 2.723 123.297 120.570 0.007 0.000 2.371 595 I HA 0.073 4.243 4.170 0.000 0.000 0.290 595 I C 0.450 176.592 176.117 0.042 0.000 1.028 595 I CA -0.327 60.986 61.300 0.022 0.000 1.345 595 I CB 0.536 38.534 38.000 -0.004 0.000 1.407 595 I HN 0.684 nan 8.210 nan 0.000 0.501 596 N N 6.427 125.158 118.700 0.053 0.000 2.442 596 N HA 0.058 4.798 4.740 0.000 0.000 0.265 596 N C 0.992 176.542 175.510 0.066 0.000 1.138 596 N CA 0.132 53.222 53.050 0.066 0.000 0.956 596 N CB 0.829 39.368 38.487 0.087 0.000 1.067 596 N HN 0.661 nan 8.380 nan 0.000 0.474 597 I N 2.907 123.518 120.570 0.068 0.000 2.264 597 I HA -0.277 3.893 4.170 0.000 0.000 0.248 597 I C 1.893 178.046 176.117 0.059 0.000 1.111 597 I CA 1.456 62.795 61.300 0.065 0.000 1.382 597 I CB 0.079 38.117 38.000 0.063 0.000 1.060 597 I HN 0.756 nan 8.210 nan 0.000 0.418 598 E N 1.944 122.188 120.200 0.074 0.000 2.085 598 E HA -0.293 4.057 4.350 0.000 0.000 0.194 598 E C 1.356 178.001 176.600 0.074 0.000 0.994 598 E CA 2.192 58.648 56.400 0.093 0.000 0.801 598 E CB -0.114 29.673 29.700 0.145 0.000 0.743 598 E HN 0.741 nan 8.360 nan 0.000 0.453 599 N N -1.273 117.471 118.700 0.073 0.000 2.143 599 N HA 0.085 4.825 4.740 0.000 0.000 0.222 599 N C -0.450 175.065 175.510 0.009 0.000 1.264 599 N CA 0.176 53.235 53.050 0.014 0.000 0.897 599 N CB 0.449 38.917 38.487 -0.031 0.000 1.092 599 N HN -0.015 nan 8.380 nan 0.000 0.516 600 R N -0.267 120.252 120.500 0.030 0.000 3.641 600 R HA -0.147 4.193 4.340 0.000 0.000 0.286 600 R C -0.946 175.366 176.300 0.021 0.000 1.153 600 R CA 0.714 56.828 56.100 0.024 0.000 0.775 600 R CB -2.043 28.265 30.300 0.012 0.000 1.215 600 R HN 0.316 nan 8.270 nan 0.000 0.474 601 K N -0.060 120.360 120.400 0.033 0.000 2.156 601 K HA 0.727 5.048 4.320 0.000 0.000 0.254 601 K C 0.146 176.775 176.600 0.047 0.000 0.950 601 K CA -0.404 55.903 56.287 0.034 0.000 0.849 601 K CB 1.721 34.242 32.500 0.035 0.000 1.100 601 K HN 0.163 nan 8.250 nan 0.000 0.434 602 A N 2.099 124.947 122.820 0.047 0.000 2.366 602 A HA 0.283 4.603 4.320 0.000 0.000 0.272 602 A C 0.531 178.146 177.584 0.052 0.000 1.135 602 A CA -0.014 52.057 52.037 0.056 0.000 0.804 602 A CB -0.232 18.808 19.000 0.066 0.000 1.064 602 A HN 0.817 nan 8.150 nan 0.000 0.499 603 N N -0.198 118.528 118.700 0.043 0.000 2.754 603 N HA -0.174 4.566 4.740 0.000 0.000 0.248 603 N C -0.515 175.019 175.510 0.039 0.000 1.093 603 N CA 1.405 54.472 53.050 0.029 0.000 0.699 603 N CB -1.150 37.357 38.487 0.034 0.000 1.016 603 N HN 0.727 nan 8.380 nan 0.000 0.552 604 S N -0.346 115.393 115.700 0.065 0.000 2.571 604 S HA 0.554 5.024 4.470 0.000 0.000 0.238 604 S C -0.692 174.026 174.600 0.196 0.000 1.153 604 S CA -0.090 58.189 58.200 0.132 0.000 1.141 604 S CB 0.204 63.503 63.200 0.164 0.000 1.133 604 S HN 0.541 nan 8.310 nan 0.000 0.464 605 V N 2.254 122.187 119.914 0.032 0.000 2.815 605 V HA 0.692 4.812 4.120 0.000 0.000 0.314 605 V C 0.116 175.853 176.094 -0.595 0.000 1.064 605 V CA -1.365 60.843 62.300 -0.153 0.000 0.952 605 V CB 1.628 33.346 31.823 -0.174 0.000 1.020 605 V HN 0.763 nan 8.190 nan 0.000 0.439 606 R N 3.112 122.966 120.500 -1.076 0.000 2.347 606 R HA 0.191 4.531 4.340 0.000 0.000 0.304 606 R C -0.044 175.927 176.300 -0.548 0.000 1.072 606 R CA -0.259 55.072 56.100 -1.282 0.000 0.980 606 R CB 0.389 29.996 30.300 -1.154 0.000 0.986 606 R HN 0.978 nan 8.270 nan 0.000 0.448 607 N N 3.225 121.660 118.700 -0.441 0.000 2.520 607 N HA 0.025 4.765 4.740 0.000 0.000 0.273 607 N C 0.052 175.467 175.510 -0.159 0.000 1.155 607 N CA 0.314 53.175 53.050 -0.316 0.000 0.967 607 N CB 1.721 39.927 38.487 -0.469 0.000 1.092 607 N HN 0.688 nan 8.380 nan 0.000 0.457 608 A N 3.326 126.183 122.820 0.062 0.000 2.123 608 A HA 0.069 4.389 4.320 0.000 0.000 0.214 608 A C 1.826 179.404 177.584 -0.011 0.000 1.152 608 A CA 0.459 52.503 52.037 0.012 0.000 0.728 608 A CB 0.035 19.044 19.000 0.016 0.000 0.814 608 A HN 0.518 nan 8.150 nan 0.000 0.464 609 V N -0.080 119.823 119.914 -0.019 0.000 2.426 609 V HA -0.122 3.998 4.120 0.000 0.000 0.242 609 V C 2.853 178.895 176.094 -0.087 0.000 1.036 609 V CA 2.271 64.555 62.300 -0.028 0.000 1.044 609 V CB -0.721 31.130 31.823 0.047 0.000 0.688 609 V HN 0.752 nan 8.190 nan 0.000 0.462 610 T N -3.773 110.665 114.554 -0.194 0.000 3.067 610 T HA -0.055 4.295 4.350 0.000 0.000 0.257 610 T C 1.041 175.674 174.700 -0.113 0.000 1.105 610 T CA 0.369 62.371 62.100 -0.164 0.000 1.104 610 T CB 0.036 68.757 68.868 -0.245 0.000 0.925 610 T HN 0.370 nan 8.240 nan 0.000 0.498 611 Q N 0.319 120.046 119.800 -0.122 0.000 2.494 611 Q HA -0.123 4.217 4.340 0.000 0.000 0.266 611 Q C -0.696 175.283 176.000 -0.036 0.000 1.053 611 Q CA 0.941 56.699 55.803 -0.075 0.000 1.029 611 Q CB -1.602 27.126 28.738 -0.016 0.000 1.423 611 Q HN 0.675 nan 8.270 nan 0.000 0.516 612 E N -0.437 119.707 120.200 -0.092 0.000 2.214 612 E HA 0.471 4.821 4.350 0.000 0.000 0.274 612 E C -0.188 176.374 176.600 -0.065 0.000 0.977 612 E CA -0.629 55.766 56.400 -0.008 0.000 0.827 612 E CB 0.602 30.281 29.700 -0.036 0.000 1.130 612 E HN 0.015 nan 8.360 nan 0.000 0.394 613 F N 0.529 120.441 119.950 -0.063 0.000 2.410 613 F HA 0.509 5.036 4.527 0.000 0.000 0.348 613 F C 1.088 176.849 175.800 -0.065 0.000 1.106 613 F CA 0.359 58.322 58.000 -0.061 0.000 1.163 613 F CB 1.551 40.527 39.000 -0.040 0.000 1.129 613 F HN 0.431 nan 8.300 nan 0.000 0.516 614 G N 3.147 111.947 108.800 -0.001 0.000 2.606 614 G HA2 0.481 4.441 3.960 0.000 0.000 0.300 614 G HA3 0.481 4.441 3.960 0.000 0.000 0.300 614 G C -3.272 171.600 174.900 -0.047 0.000 1.360 614 G CA -1.570 43.517 45.100 -0.021 0.000 0.783 614 G HN 0.190 nan 8.290 nan 0.000 0.484 615 P HA 0.104 nan 4.420 nan 0.000 0.261 615 P C 1.206 178.450 177.300 -0.093 0.000 1.173 615 P CA -0.178 62.898 63.100 -0.039 0.000 0.760 615 P CB 1.069 32.758 31.700 -0.018 0.000 0.783 616 V N 6.598 126.458 119.914 -0.091 0.000 2.343 616 V HA -0.161 3.959 4.120 0.000 0.000 0.247 616 V C -0.751 175.242 176.094 -0.169 0.000 1.051 616 V CA 2.260 64.471 62.300 -0.149 0.000 1.036 616 V CB -2.011 29.745 31.823 -0.112 0.000 0.654 616 V HN 0.647 nan 8.190 nan 0.000 0.451 617 P HA -0.141 nan 4.420 nan 0.000 0.215 617 P C 1.232 178.493 177.300 -0.065 0.000 1.157 617 P CA 1.608 64.666 63.100 -0.070 0.000 0.874 617 P CB -0.076 31.603 31.700 -0.036 0.000 0.790 618 D N -1.433 118.931 120.400 -0.060 0.000 2.144 618 D HA -0.097 4.543 4.640 0.000 0.000 0.199 618 D C 1.825 178.065 176.300 -0.100 0.000 0.984 618 D CA 1.405 55.379 54.000 -0.043 0.000 0.834 618 D CB -0.869 39.914 40.800 -0.028 0.000 0.955 618 D HN 0.175 nan 8.370 nan 0.000 0.465 619 T N 0.984 115.398 114.554 -0.234 0.000 2.746 619 T HA -0.096 4.254 4.350 0.000 0.000 0.267 619 T C 2.078 176.444 174.700 -0.556 0.000 1.039 619 T CA 1.422 63.240 62.100 -0.470 0.000 1.142 619 T CB -0.224 68.292 68.868 -0.586 0.000 0.866 619 T HN 0.185 nan 8.240 nan 0.000 0.444 620 A N 2.170 124.748 122.820 -0.403 0.000 1.877 620 A HA -0.132 4.188 4.320 0.000 0.000 0.216 620 A C 2.389 180.011 177.584 0.063 0.000 1.186 620 A CA 1.369 53.250 52.037 -0.260 0.000 0.620 620 A CB -0.507 18.372 19.000 -0.203 0.000 0.822 620 A HN 0.441 nan 8.150 nan 0.000 0.443 621 R N -2.146 118.381 120.500 0.045 0.000 2.096 621 R HA -0.166 4.174 4.340 0.000 0.000 0.235 621 R C 2.147 178.518 176.300 0.118 0.000 1.127 621 R CA 1.623 57.772 56.100 0.082 0.000 0.968 621 R CB -0.602 29.728 30.300 0.049 0.000 0.861 621 R HN 0.690 nan 8.270 nan 0.000 0.440 622 Y N 0.847 121.156 120.300 0.016 0.000 2.145 622 Y HA -0.267 4.283 4.550 0.000 0.000 0.286 622 Y C 1.923 178.009 175.900 0.310 0.000 1.145 622 Y CA 1.394 59.570 58.100 0.127 0.000 1.148 622 Y CB -0.495 37.940 38.460 -0.042 0.000 0.981 622 Y HN 0.035 nan 8.280 nan 0.000 0.507 623 Y N 0.156 120.677 120.300 0.368 0.000 2.181 623 Y HA -0.296 4.254 4.550 0.000 0.000 0.288 623 Y C 2.723 178.765 175.900 0.236 0.000 1.146 623 Y CA 1.173 59.467 58.100 0.324 0.000 1.164 623 Y CB -0.301 38.354 38.460 0.325 0.000 0.982 623 Y HN 0.062 nan 8.280 nan 0.000 0.515 624 K N 0.447 121.075 120.400 0.380 0.000 2.063 624 K HA -0.259 4.062 4.320 0.000 0.000 0.208 624 K C 2.169 178.798 176.600 0.048 0.000 1.048 624 K CA 1.462 57.867 56.287 0.197 0.000 0.928 624 K CB -0.176 32.417 32.500 0.155 0.000 0.713 624 K HN 0.205 nan 8.250 nan 0.000 0.442 625 Q N -0.149 119.630 119.800 -0.035 0.000 2.364 625 Q HA -0.144 4.196 4.340 0.000 0.000 0.207 625 Q C 0.915 176.620 176.000 -0.490 0.000 0.970 625 Q CA 1.252 56.910 55.803 -0.243 0.000 0.888 625 Q CB 0.146 28.706 28.738 -0.297 0.000 0.951 625 Q HN 0.520 nan 8.270 nan 0.000 0.469 626 H N -1.921 117.100 119.070 -0.083 0.000 2.652 626 H HA 0.187 4.743 4.556 0.000 0.000 0.274 626 H C 0.832 176.160 175.328 0.001 0.000 1.021 626 H CA 0.720 56.725 56.048 -0.072 0.000 1.187 626 H CB 0.974 30.670 29.762 -0.110 0.000 1.505 626 H HN 0.375 nan 8.280 nan 0.000 0.530 627 G N 1.734 110.564 108.800 0.051 0.000 2.147 627 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 627 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 627 G C 0.166 175.109 174.900 0.072 0.000 1.005 627 G CA 0.033 45.160 45.100 0.045 0.000 0.713 627 G HN 0.324 nan 8.290 nan 0.000 0.515 628 I N 1.315 121.962 120.570 0.128 0.000 2.291 628 I HA 0.294 4.464 4.170 0.000 0.000 0.292 628 I C 1.056 177.244 176.117 0.118 0.000 1.064 628 I CA -0.576 60.768 61.300 0.074 0.000 1.269 628 I CB 0.552 38.558 38.000 0.010 0.000 1.418 628 I HN 0.060 nan 8.210 nan 0.000 0.485 629 R N 7.336 127.858 120.500 0.037 0.000 2.390 629 R HA 0.383 4.723 4.340 0.000 0.000 0.291 629 R C -0.789 175.538 176.300 0.044 0.000 1.070 629 R CA -0.227 55.860 56.100 -0.022 0.000 1.014 629 R CB 1.106 31.367 30.300 -0.065 0.000 1.007 629 R HN 0.645 nan 8.270 nan 0.000 0.466 630 W N 1.334 122.635 121.300 0.001 0.000 2.992 630 W HA 0.686 5.346 4.660 0.000 0.000 0.342 630 W C -1.552 174.977 176.519 0.017 0.000 1.176 630 W CA -1.133 56.214 57.345 0.004 0.000 1.118 630 W CB 0.591 30.109 29.460 0.096 0.000 1.457 630 W HN 0.376 nan 8.180 nan 0.000 0.573 631 V N 1.481 121.671 119.914 0.460 0.000 2.962 631 V HA 0.699 4.819 4.120 0.000 0.000 0.313 631 V C -1.417 174.915 176.094 0.396 0.000 1.099 631 V CA -0.802 61.681 62.300 0.305 0.000 0.971 631 V CB 2.036 33.914 31.823 0.092 0.000 1.028 631 V HN 0.473 nan 8.190 nan 0.000 0.430 632 V N 6.170 126.262 119.914 0.297 0.000 2.472 632 V HA 0.558 4.678 4.120 0.000 0.000 0.290 632 V C -0.295 175.829 176.094 0.051 0.000 1.037 632 V CA -0.611 61.803 62.300 0.191 0.000 0.908 632 V CB 1.599 33.558 31.823 0.227 0.000 0.985 632 V HN 0.653 nan 8.190 nan 0.000 0.454 633 I N 3.649 124.249 120.570 0.050 0.000 2.404 633 I HA 0.686 4.856 4.170 0.000 0.000 0.293 633 I C 0.592 176.771 176.117 0.103 0.000 0.992 633 I CA 0.112 61.446 61.300 0.056 0.000 1.149 633 I CB 1.305 39.355 38.000 0.083 0.000 1.315 633 I HN 0.743 nan 8.210 nan 0.000 0.446 634 G N 3.894 112.737 108.800 0.072 0.000 2.714 634 G HA2 0.476 4.437 3.960 0.000 0.000 0.292 634 G HA3 0.476 4.437 3.960 0.000 0.000 0.292 634 G C -0.655 174.358 174.900 0.189 0.000 1.308 634 G CA -0.167 44.999 45.100 0.110 0.000 0.964 634 G HN 0.462 nan 8.290 nan 0.000 0.484 635 D N -0.838 119.586 120.400 0.040 0.000 2.311 635 D HA 0.254 4.894 4.640 0.000 0.000 0.278 635 D C 0.304 176.523 176.300 -0.135 0.000 1.189 635 D CA -0.088 53.777 54.000 -0.225 0.000 1.117 635 D CB 0.485 41.135 40.800 -0.249 0.000 1.168 635 D HN 0.377 nan 8.370 nan 0.000 0.509 636 E N 0.490 120.617 120.200 -0.121 0.000 2.214 636 E HA 0.231 4.581 4.350 0.000 0.000 0.274 636 E C -0.413 176.168 176.600 -0.031 0.000 0.977 636 E CA -0.537 55.819 56.400 -0.073 0.000 0.827 636 E CB 1.058 30.718 29.700 -0.066 0.000 1.130 636 E HN 0.307 nan 8.360 nan 0.000 0.394 637 N N 1.385 120.085 118.700 -0.000 0.000 2.725 637 N HA -0.260 4.480 4.740 0.000 0.000 0.251 637 N C -1.344 174.192 175.510 0.044 0.000 1.031 637 N CA 0.462 53.536 53.050 0.041 0.000 0.720 637 N CB -1.752 36.751 38.487 0.026 0.000 0.930 637 N HN 0.560 nan 8.380 nan 0.000 0.543 638 Y N 0.178 120.424 120.300 -0.090 0.000 2.496 638 Y HA 0.376 4.926 4.550 0.000 0.000 0.334 638 Y C 1.625 177.610 175.900 0.142 0.000 1.080 638 Y CA 1.332 59.395 58.100 -0.063 0.000 1.355 638 Y CB 0.172 38.477 38.460 -0.258 0.000 1.193 638 Y HN 0.411 nan 8.280 nan 0.000 0.523 639 G N 3.860 112.425 108.800 -0.392 0.000 2.144 639 G HA2 -0.275 3.685 3.960 0.000 0.000 0.218 639 G HA3 -0.275 3.685 3.960 0.000 0.000 0.218 639 G C 0.108 174.963 174.900 -0.074 0.000 0.988 639 G CA -0.040 44.864 45.100 -0.327 0.000 0.659 639 G HN 0.811 nan 8.290 nan 0.000 0.522 640 E N 0.235 120.417 120.200 -0.030 0.000 2.604 640 E HA 0.348 4.699 4.350 0.000 0.000 0.267 640 E C 1.306 177.980 176.600 0.124 0.000 0.970 640 E CA 1.593 58.028 56.400 0.057 0.000 0.956 640 E CB 0.003 29.722 29.700 0.032 0.000 0.939 640 E HN 1.844 nan 8.360 nan 0.000 0.465 641 G N 2.654 111.570 108.800 0.194 0.000 2.516 641 G HA2 -0.109 3.851 3.960 0.000 0.000 0.220 641 G HA3 -0.109 3.851 3.960 0.000 0.000 0.220 641 G C -0.064 174.902 174.900 0.111 0.000 1.165 641 G CA 0.032 45.278 45.100 0.243 0.000 1.013 641 G HN 1.155 nan 8.290 nan 0.000 0.590 642 A N -0.383 122.513 122.820 0.127 0.000 2.547 642 A HA 0.540 4.860 4.320 0.000 0.000 0.233 642 A C 1.779 179.408 177.584 0.074 0.000 1.067 642 A CA 1.636 53.717 52.037 0.074 0.000 0.763 642 A CB 0.316 19.381 19.000 0.109 0.000 1.007 642 A HN 1.791 nan 8.150 nan 0.000 0.506 643 S N 0.262 115.999 115.700 0.062 0.000 2.428 643 S HA -0.057 4.414 4.470 0.000 0.000 0.230 643 S C 1.074 175.748 174.600 0.123 0.000 1.014 643 S CA 0.699 58.949 58.200 0.084 0.000 0.957 643 S CB -0.330 62.907 63.200 0.062 0.000 0.784 643 S HN 0.808 nan 8.310 nan 0.000 0.499 644 R N 2.361 122.941 120.500 0.134 0.000 2.584 644 R HA -0.120 4.220 4.340 0.000 0.000 0.315 644 R C 0.695 177.132 176.300 0.229 0.000 0.863 644 R CA 0.903 57.131 56.100 0.213 0.000 1.139 644 R CB -0.284 30.143 30.300 0.212 0.000 0.880 644 R HN 0.523 nan 8.270 nan 0.000 0.413 645 E N 2.574 122.874 120.200 0.167 0.000 2.409 645 E HA -0.210 4.141 4.350 0.000 0.000 0.198 645 E C 0.407 177.042 176.600 0.058 0.000 1.024 645 E CA 1.111 57.563 56.400 0.087 0.000 0.861 645 E CB -0.215 29.481 29.700 -0.007 0.000 0.788 645 E HN 0.845 nan 8.360 nan 0.000 0.521 646 H N 1.175 120.324 119.070 0.133 0.000 2.426 646 H HA -0.062 4.494 4.556 0.000 0.000 0.298 646 H C 1.892 177.315 175.328 0.159 0.000 1.107 646 H CA 1.812 57.943 56.048 0.139 0.000 1.298 646 H CB 0.011 29.846 29.762 0.121 0.000 1.377 646 H HN 0.180 nan 8.280 nan 0.000 0.519 647 S N -0.530 115.335 115.700 0.275 0.000 2.515 647 S HA 0.023 4.494 4.470 0.000 0.000 0.231 647 S C 2.100 176.937 174.600 0.394 0.000 0.987 647 S CA 0.673 59.027 58.200 0.258 0.000 0.936 647 S CB 0.174 63.445 63.200 0.119 0.000 0.766 647 S HN 0.605 nan 8.310 nan 0.000 0.528 648 A N 0.765 123.786 122.820 0.335 0.000 2.055 648 A HA 0.430 4.751 4.320 0.000 0.000 0.205 648 A C 1.840 179.511 177.584 0.145 0.000 1.235 648 A CA -0.078 52.096 52.037 0.227 0.000 0.822 648 A CB -0.305 18.767 19.000 0.120 0.000 0.903 648 A HN 0.364 nan 8.150 nan 0.000 0.473 649 L N 0.074 121.391 121.223 0.156 0.000 2.046 649 L HA -0.198 4.142 4.340 0.000 0.000 0.208 649 L C 2.482 179.514 176.870 0.270 0.000 1.077 649 L CA 1.718 56.686 54.840 0.213 0.000 0.747 649 L CB -0.527 41.627 42.059 0.157 0.000 0.896 649 L HN 0.449 nan 8.230 nan 0.000 0.432 650 E N 0.004 120.359 120.200 0.260 0.000 2.051 650 E HA -0.183 4.167 4.350 0.000 0.000 0.192 650 E C -0.646 176.137 176.600 0.305 0.000 0.991 650 E CA 1.275 57.853 56.400 0.295 0.000 0.799 650 E CB -1.004 28.840 29.700 0.241 0.000 0.748 650 E HN 0.485 nan 8.360 nan 0.000 0.449 651 P HA -0.178 nan 4.420 nan 0.000 0.217 651 P C 1.283 178.626 177.300 0.072 0.000 1.150 651 P CA 1.290 64.597 63.100 0.345 0.000 0.832 651 P CB 0.078 32.007 31.700 0.381 0.000 0.787 652 R N -0.139 120.326 120.500 -0.058 0.000 2.092 652 R HA -0.153 4.187 4.340 0.000 0.000 0.231 652 R C 2.652 178.870 176.300 -0.136 0.000 1.119 652 R CA 1.541 57.457 56.100 -0.307 0.000 0.970 652 R CB -1.874 28.009 30.300 -0.695 0.000 0.864 652 R HN 0.277 nan 8.270 nan 0.000 0.440 653 H N -0.287 118.814 119.070 0.052 0.000 2.423 653 H HA -0.021 4.535 4.556 0.000 0.000 0.297 653 H C 0.682 176.130 175.328 0.199 0.000 1.075 653 H CA 1.339 57.553 56.048 0.276 0.000 1.342 653 H CB 0.217 30.174 29.762 0.326 0.000 1.395 653 H HN 0.217 nan 8.280 nan 0.000 0.530 654 L N 0.311 121.588 121.223 0.090 0.000 2.783 654 L HA 0.195 4.535 4.340 0.000 0.000 0.236 654 L C 1.260 178.293 176.870 0.271 0.000 1.225 654 L CA 0.495 55.410 54.840 0.125 0.000 1.026 654 L CB 0.614 42.837 42.059 0.274 0.000 1.314 654 L HN 0.562 nan 8.230 nan 0.000 0.489 655 G N -0.454 108.346 108.800 -0.000 0.000 2.176 655 G HA2 -0.215 3.745 3.960 0.000 0.000 0.232 655 G HA3 -0.215 3.745 3.960 0.000 0.000 0.232 655 G C 0.598 174.992 174.900 -0.844 0.000 0.986 655 G CA -0.282 44.708 45.100 -0.183 0.000 0.643 655 G HN 0.526 nan 8.290 nan 0.000 0.522 656 G N -0.877 107.184 108.800 -1.231 0.000 2.544 656 G HA2 0.504 4.464 3.960 0.000 0.000 0.242 656 G HA3 0.504 4.464 3.960 0.000 0.000 0.242 656 G C 0.583 175.009 174.900 -0.790 0.000 1.247 656 G CA 0.450 44.487 45.100 -1.772 0.000 0.840 656 G HN 0.371 nan 8.290 nan 0.000 0.578 657 R N -0.127 120.017 120.500 -0.594 0.000 2.561 657 R HA 0.495 4.835 4.340 0.000 0.000 0.213 657 R C 0.505 176.700 176.300 -0.175 0.000 0.885 657 R CA 0.854 56.779 56.100 -0.293 0.000 1.002 657 R CB 0.773 30.931 30.300 -0.236 0.000 1.432 657 R HN 0.817 nan 8.270 nan 0.000 0.651 658 A N 0.182 122.914 122.820 -0.148 0.000 2.604 658 A HA 0.645 4.966 4.320 0.000 0.000 0.295 658 A C -1.740 175.830 177.584 -0.023 0.000 1.067 658 A CA -0.595 51.384 52.037 -0.096 0.000 0.683 658 A CB 1.371 20.289 19.000 -0.136 0.000 1.281 658 A HN 0.004 nan 8.150 nan 0.000 0.407 659 I N 1.973 122.550 120.570 0.011 0.000 2.468 659 I HA 0.401 4.572 4.170 0.000 0.000 0.284 659 I C -0.966 175.158 176.117 0.011 0.000 1.038 659 I CA -0.083 61.227 61.300 0.017 0.000 1.083 659 I CB 1.092 39.153 38.000 0.102 0.000 1.223 659 I HN 0.526 nan 8.210 nan 0.000 0.443 660 I N 6.070 126.552 120.570 -0.147 0.000 2.378 660 I HA 0.479 4.649 4.170 0.000 0.000 0.291 660 I C 0.353 176.229 176.117 -0.401 0.000 0.992 660 I CA -0.189 60.931 61.300 -0.301 0.000 1.154 660 I CB 2.211 39.979 38.000 -0.387 0.000 1.315 660 I HN 0.640 nan 8.210 nan 0.000 0.448 661 T N 0.917 115.183 114.554 -0.479 0.000 2.838 661 T HA 0.454 4.804 4.350 0.000 0.000 0.292 661 T C 0.475 175.108 174.700 -0.112 0.000 1.113 661 T CA -0.908 60.970 62.100 -0.369 0.000 1.008 661 T CB 2.198 70.568 68.868 -0.831 0.000 1.259 661 T HN 0.449 nan 8.240 nan 0.000 0.520 662 K N 0.396 120.839 120.400 0.072 0.000 2.116 662 K HA 0.189 4.510 4.320 0.000 0.000 0.203 662 K C 0.752 177.362 176.600 0.017 0.000 1.052 662 K CA 0.977 57.346 56.287 0.137 0.000 0.952 662 K CB -0.001 32.516 32.500 0.028 0.000 0.729 662 K HN 0.802 nan 8.250 nan 0.000 0.446 663 S N -0.869 114.781 115.700 -0.084 0.000 2.588 663 S HA 0.545 5.015 4.470 0.000 0.000 0.269 663 S C -1.141 173.381 174.600 -0.131 0.000 1.157 663 S CA -1.109 57.070 58.200 -0.034 0.000 0.824 663 S CB 0.971 64.197 63.200 0.042 0.000 1.126 663 S HN -0.016 nan 8.310 nan 0.000 0.464 664 F N 0.770 120.800 119.950 0.133 0.000 2.556 664 F HA 0.809 5.336 4.527 0.000 0.000 0.327 664 F C 0.799 176.693 175.800 0.157 0.000 1.059 664 F CA -0.451 57.666 58.000 0.195 0.000 0.953 664 F CB 1.892 41.001 39.000 0.181 0.000 1.227 664 F HN 0.992 nan 8.300 nan 0.000 0.478 665 A N 2.202 125.257 122.820 0.393 0.000 2.371 665 A HA 0.316 4.636 4.320 0.000 0.000 0.257 665 A C 1.524 179.269 177.584 0.270 0.000 1.089 665 A CA -0.396 51.801 52.037 0.266 0.000 0.794 665 A CB 0.477 19.604 19.000 0.211 0.000 1.029 665 A HN 0.991 nan 8.150 nan 0.000 0.488 666 R N 1.253 121.863 120.500 0.184 0.000 2.080 666 R HA -0.140 4.200 4.340 0.000 0.000 0.236 666 R C 1.418 177.802 176.300 0.139 0.000 1.137 666 R CA 2.210 58.395 56.100 0.142 0.000 0.943 666 R CB -0.372 29.997 30.300 0.114 0.000 0.846 666 R HN 0.829 nan 8.270 nan 0.000 0.431 667 I N -0.227 120.438 120.570 0.158 0.000 2.252 667 I HA -0.232 3.938 4.170 0.000 0.000 0.245 667 I C 2.498 178.722 176.117 0.177 0.000 1.102 667 I CA 1.299 62.693 61.300 0.156 0.000 1.385 667 I CB -0.482 37.607 38.000 0.149 0.000 1.064 667 I HN 0.320 nan 8.210 nan 0.000 0.414 668 H N 1.138 120.284 119.070 0.127 0.000 2.319 668 H HA -0.252 4.305 4.556 0.000 0.000 0.299 668 H C 2.127 177.518 175.328 0.104 0.000 1.092 668 H CA 2.243 58.381 56.048 0.151 0.000 1.302 668 H CB -0.089 29.806 29.762 0.223 0.000 1.373 668 H HN 0.366 nan 8.280 nan 0.000 0.497 669 E N -0.996 119.176 120.200 -0.047 0.000 2.077 669 E HA -0.169 4.182 4.350 0.000 0.000 0.193 669 E C 1.856 178.305 176.600 -0.251 0.000 0.989 669 E CA 1.752 57.937 56.400 -0.357 0.000 0.800 669 E CB -0.045 29.450 29.700 -0.342 0.000 0.746 669 E HN 0.500 nan 8.360 nan 0.000 0.452 670 T N 0.709 115.208 114.554 -0.092 0.000 2.746 670 T HA -0.130 4.220 4.350 0.000 0.000 0.267 670 T C 1.492 176.187 174.700 -0.009 0.000 1.039 670 T CA 1.564 63.650 62.100 -0.024 0.000 1.142 670 T CB -0.422 68.485 68.868 0.064 0.000 0.866 670 T HN 0.335 nan 8.240 nan 0.000 0.444 671 N N 0.720 119.406 118.700 -0.023 0.000 2.166 671 N HA 0.011 4.751 4.740 0.000 0.000 0.186 671 N C 1.790 177.262 175.510 -0.063 0.000 1.019 671 N CA 0.730 53.769 53.050 -0.019 0.000 0.856 671 N CB -0.253 38.267 38.487 0.054 0.000 0.993 671 N HN 0.284 nan 8.380 nan 0.000 0.426 672 L N 1.262 122.385 121.223 -0.166 0.000 2.027 672 L HA -0.149 4.191 4.340 0.000 0.000 0.206 672 L C 2.140 178.984 176.870 -0.042 0.000 1.074 672 L CA 1.261 56.014 54.840 -0.145 0.000 0.745 672 L CB -0.290 41.610 42.059 -0.265 0.000 0.898 672 L HN 0.133 nan 8.230 nan 0.000 0.433 673 K N -0.293 120.080 120.400 -0.046 0.000 2.097 673 K HA -0.149 4.171 4.320 0.000 0.000 0.206 673 K C 2.119 178.911 176.600 0.320 0.000 1.049 673 K CA 0.859 57.211 56.287 0.109 0.000 0.933 673 K CB -0.074 32.335 32.500 -0.152 0.000 0.717 673 K HN 0.075 nan 8.250 nan 0.000 0.442 674 K N 0.812 121.279 120.400 0.112 0.000 2.147 674 K HA -0.096 4.224 4.320 0.000 0.000 0.205 674 K C 1.550 178.102 176.600 -0.080 0.000 1.049 674 K CA 1.209 57.382 56.287 -0.191 0.000 0.936 674 K CB 0.102 32.453 32.500 -0.249 0.000 0.722 674 K HN 0.189 nan 8.250 nan 0.000 0.446 675 Q N -0.644 119.156 119.800 0.001 0.000 2.204 675 Q HA 0.163 4.503 4.340 0.000 0.000 0.209 675 Q C 0.617 176.574 176.000 -0.073 0.000 0.861 675 Q CA 0.306 56.109 55.803 -0.000 0.000 0.971 675 Q CB 0.673 29.395 28.738 -0.026 0.000 1.095 675 Q HN 0.441 nan 8.270 nan 0.000 0.486 676 G N 0.879 109.721 108.800 0.069 0.000 2.143 676 G HA2 -0.277 3.683 3.960 0.000 0.000 0.248 676 G HA3 -0.277 3.683 3.960 0.000 0.000 0.248 676 G C 0.069 175.052 174.900 0.137 0.000 0.991 676 G CA 0.222 45.392 45.100 0.117 0.000 0.689 676 G HN 0.316 nan 8.290 nan 0.000 0.522 677 L N -0.722 120.556 121.223 0.091 0.000 2.431 677 L HA 0.657 4.997 4.340 0.000 0.000 0.260 677 L C 0.970 177.919 176.870 0.132 0.000 1.098 677 L CA -1.054 53.819 54.840 0.055 0.000 0.800 677 L CB 1.119 43.157 42.059 -0.034 0.000 1.210 677 L HN 0.005 nan 8.230 nan 0.000 0.465 678 L N 3.615 124.833 121.223 -0.008 0.000 2.297 678 L HA 0.334 4.674 4.340 0.000 0.000 0.277 678 L C -2.157 174.699 176.870 -0.023 0.000 1.040 678 L CA -1.699 53.086 54.840 -0.091 0.000 0.867 678 L CB 1.073 42.881 42.059 -0.419 0.000 1.244 678 L HN 0.258 nan 8.230 nan 0.000 0.433 679 P HA 0.240 nan 4.420 nan 0.000 0.276 679 P C -0.974 176.364 177.300 0.064 0.000 1.253 679 P CA 0.043 63.045 63.100 -0.163 0.000 0.766 679 P CB 1.224 32.438 31.700 -0.809 0.000 0.845 680 L N 3.020 124.373 121.223 0.218 0.000 2.393 680 L HA 0.643 4.984 4.340 0.000 0.000 0.260 680 L C 0.431 177.374 176.870 0.122 0.000 1.002 680 L CA -0.621 54.293 54.840 0.123 0.000 0.818 680 L CB 2.647 44.660 42.059 -0.077 0.000 1.369 680 L HN 0.339 nan 8.230 nan 0.000 0.412 681 T N -2.291 112.290 114.554 0.045 0.000 2.900 681 T HA 0.622 4.973 4.350 0.000 0.000 0.295 681 T C -0.597 174.061 174.700 -0.069 0.000 1.044 681 T CA -0.638 61.446 62.100 -0.027 0.000 0.995 681 T CB 1.196 70.138 68.868 0.122 0.000 1.072 681 T HN 0.109 nan 8.240 nan 0.000 0.473 682 F N 1.568 121.550 119.950 0.052 0.000 2.538 682 F HA 0.471 4.998 4.527 0.000 0.000 0.371 682 F C 1.820 177.643 175.800 0.037 0.000 1.087 682 F CA -0.553 57.472 58.000 0.041 0.000 1.250 682 F CB 0.306 39.330 39.000 0.040 0.000 1.110 682 F HN 0.898 nan 8.300 nan 0.000 0.570 683 A N 1.465 124.409 122.820 0.206 0.000 1.972 683 A HA -0.132 4.188 4.320 0.000 0.000 0.219 683 A C 0.724 178.381 177.584 0.121 0.000 1.169 683 A CA 1.542 53.657 52.037 0.129 0.000 0.635 683 A CB -0.350 18.706 19.000 0.093 0.000 0.810 683 A HN 0.653 nan 8.150 nan 0.000 0.446 684 D N -1.753 118.733 120.400 0.142 0.000 2.505 684 D HA 0.281 4.922 4.640 0.000 0.000 0.250 684 D C -2.066 174.268 176.300 0.056 0.000 1.164 684 D CA -2.084 51.962 54.000 0.076 0.000 0.870 684 D CB 1.797 42.617 40.800 0.034 0.000 1.160 684 D HN -0.005 nan 8.370 nan 0.000 0.549 685 P HA -0.096 nan 4.420 nan 0.000 0.222 685 P C 0.956 178.150 177.300 -0.176 0.000 1.147 685 P CA 0.461 63.543 63.100 -0.030 0.000 0.790 685 P CB 0.342 32.048 31.700 0.011 0.000 0.780 686 A N 0.338 123.085 122.820 -0.122 0.000 2.121 686 A HA -0.118 4.202 4.320 0.000 0.000 0.218 686 A C 1.705 179.177 177.584 -0.187 0.000 1.154 686 A CA 1.241 53.210 52.037 -0.114 0.000 0.679 686 A CB -0.998 17.966 19.000 -0.060 0.000 0.795 686 A HN 0.044 nan 8.150 nan 0.000 0.458 687 D N -1.655 118.562 120.400 -0.304 0.000 2.378 687 D HA -0.118 4.522 4.640 0.000 0.000 0.222 687 D C 1.264 177.147 176.300 -0.696 0.000 0.980 687 D CA 0.701 54.468 54.000 -0.389 0.000 0.907 687 D CB -0.363 40.278 40.800 -0.265 0.000 0.899 687 D HN 0.718 nan 8.370 nan 0.000 0.527 688 Y N 1.588 121.248 120.300 -1.067 0.000 2.333 688 Y HA -0.178 4.372 4.550 0.000 0.000 0.290 688 Y C 1.479 177.159 175.900 -0.368 0.000 1.144 688 Y CA 1.234 58.848 58.100 -0.810 0.000 1.228 688 Y CB -0.030 38.106 38.460 -0.539 0.000 0.985 688 Y HN -0.111 nan 8.280 nan 0.000 0.542 689 N N 0.354 118.930 118.700 -0.207 0.000 2.494 689 N HA -0.065 4.675 4.740 0.000 0.000 0.182 689 N C 1.118 176.475 175.510 -0.256 0.000 1.076 689 N CA 0.968 53.909 53.050 -0.183 0.000 0.908 689 N CB -0.080 38.378 38.487 -0.049 0.000 0.967 689 N HN 0.479 nan 8.380 nan 0.000 0.449 690 K N 0.050 120.303 120.400 -0.246 0.000 2.379 690 K HA 0.231 4.551 4.320 0.000 0.000 0.194 690 K C 0.254 176.706 176.600 -0.246 0.000 1.031 690 K CA 0.271 56.460 56.287 -0.164 0.000 1.037 690 K CB 0.772 33.243 32.500 -0.048 0.000 0.824 690 K HN 0.102 nan 8.250 nan 0.000 0.516 691 I N 1.850 122.200 120.570 -0.367 0.000 2.315 691 I HA 0.138 4.308 4.170 0.000 0.000 0.291 691 I C -0.453 175.365 176.117 -0.498 0.000 1.006 691 I CA -0.662 60.465 61.300 -0.288 0.000 1.265 691 I CB 0.866 38.780 38.000 -0.143 0.000 1.387 691 I HN 0.055 nan 8.210 nan 0.000 0.475 692 H N 6.393 125.455 119.070 -0.013 0.000 2.533 692 H HA 0.271 4.827 4.556 0.000 0.000 0.343 692 H C -1.817 173.502 175.328 -0.015 0.000 1.160 692 H CA -1.742 54.294 56.048 -0.020 0.000 1.218 692 H CB 0.943 30.718 29.762 0.021 0.000 1.566 692 H HN 0.313 nan 8.280 nan 0.000 0.522 693 P HA -0.206 nan 4.420 nan 0.000 0.219 693 P C 0.907 178.239 177.300 0.052 0.000 1.144 693 P CA 1.063 64.191 63.100 0.047 0.000 0.806 693 P CB 0.230 31.960 31.700 0.051 0.000 0.771 694 V N -2.299 117.663 119.914 0.080 0.000 2.788 694 V HA -0.046 4.074 4.120 0.000 0.000 0.251 694 V C 0.623 176.746 176.094 0.049 0.000 1.068 694 V CA 0.630 62.963 62.300 0.056 0.000 1.090 694 V CB -1.184 30.673 31.823 0.058 0.000 0.710 694 V HN 0.068 nan 8.190 nan 0.000 0.467 695 D N 1.941 122.384 120.400 0.072 0.000 2.423 695 D HA 0.178 4.818 4.640 0.000 0.000 0.238 695 D C 0.220 176.516 176.300 -0.007 0.000 1.142 695 D CA 0.334 54.351 54.000 0.029 0.000 0.884 695 D CB 0.572 41.378 40.800 0.010 0.000 1.199 695 D HN 0.196 nan 8.370 nan 0.000 0.438 696 K N 1.351 121.733 120.400 -0.029 0.000 2.110 696 K HA 0.556 4.876 4.320 0.000 0.000 0.263 696 K C -0.130 176.442 176.600 -0.046 0.000 0.975 696 K CA -0.635 55.632 56.287 -0.034 0.000 0.895 696 K CB 1.379 33.859 32.500 -0.034 0.000 1.060 696 K HN 0.358 nan 8.250 nan 0.000 0.448 697 L N 1.005 122.205 121.223 -0.039 0.000 2.408 697 L HA 0.387 4.727 4.340 0.000 0.000 0.268 697 L C -0.360 176.483 176.870 -0.045 0.000 0.986 697 L CA -0.735 54.077 54.840 -0.045 0.000 0.820 697 L CB 2.423 44.462 42.059 -0.034 0.000 1.303 697 L HN 0.463 nan 8.230 nan 0.000 0.411 698 T N 3.829 118.354 114.554 -0.049 0.000 2.779 698 T HA 0.524 4.874 4.350 0.000 0.000 0.280 698 T C -0.208 174.454 174.700 -0.062 0.000 0.987 698 T CA -0.365 61.706 62.100 -0.048 0.000 0.966 698 T CB 1.187 70.032 68.868 -0.038 0.000 0.933 698 T HN 0.177 nan 8.240 nan 0.000 0.442 699 I N 5.150 125.671 120.570 -0.081 0.000 2.306 699 I HA 0.268 4.439 4.170 0.000 0.000 0.288 699 I C 0.502 176.555 176.117 -0.106 0.000 1.036 699 I CA -0.663 60.562 61.300 -0.125 0.000 1.221 699 I CB 0.543 38.426 38.000 -0.196 0.000 1.385 699 I HN 0.720 nan 8.210 nan 0.000 0.472 700 Q N 3.501 123.247 119.800 -0.091 0.000 2.297 700 Q HA 0.779 5.119 4.340 0.000 0.000 0.268 700 Q C 0.545 176.498 176.000 -0.078 0.000 1.045 700 Q CA -0.664 55.101 55.803 -0.062 0.000 0.861 700 Q CB 2.200 30.917 28.738 -0.034 0.000 1.344 700 Q HN 0.772 nan 8.270 nan 0.000 0.452 701 G N 0.276 109.053 108.800 -0.039 0.000 2.159 701 G HA2 -0.231 3.729 3.960 0.000 0.000 0.227 701 G HA3 -0.231 3.729 3.960 0.000 0.000 0.227 701 G C 0.231 175.109 174.900 -0.037 0.000 0.986 701 G CA 0.152 45.235 45.100 -0.029 0.000 0.651 701 G HN 0.481 nan 8.290 nan 0.000 0.523 702 L N 1.005 122.203 121.223 -0.042 0.000 2.265 702 L HA 0.088 4.428 4.340 0.000 0.000 0.215 702 L C 2.752 179.784 176.870 0.270 0.000 1.117 702 L CA 2.566 57.380 54.840 -0.044 0.000 0.782 702 L CB -0.249 41.826 42.059 0.027 0.000 0.914 702 L HN 0.678 nan 8.230 nan 0.000 0.441 703 K N -1.708 118.858 120.400 0.276 0.000 2.439 703 K HA -0.075 4.245 4.320 0.000 0.000 0.197 703 K C 0.303 177.015 176.600 0.187 0.000 1.041 703 K CA 1.306 57.756 56.287 0.272 0.000 0.970 703 K CB -0.031 32.554 32.500 0.141 0.000 0.773 703 K HN 0.175 nan 8.250 nan 0.000 0.479 704 D N 0.536 121.019 120.400 0.138 0.000 2.462 704 D HA 0.066 4.706 4.640 0.000 0.000 0.221 704 D C -0.842 175.536 176.300 0.129 0.000 1.173 704 D CA -0.427 53.637 54.000 0.106 0.000 0.831 704 D CB -0.091 40.749 40.800 0.067 0.000 1.001 704 D HN 0.202 nan 8.370 nan 0.000 0.499 705 F N 2.187 122.084 119.950 -0.089 0.000 2.571 705 F HA 0.206 4.733 4.527 0.000 0.000 0.390 705 F C 0.169 175.894 175.800 -0.125 0.000 1.043 705 F CA -0.329 57.537 58.000 -0.223 0.000 1.164 705 F CB 0.384 39.146 39.000 -0.398 0.000 1.049 705 F HN -0.065 nan 8.300 nan 0.000 0.552 706 A N 7.448 130.279 122.820 0.019 0.000 2.475 706 A HA 0.628 4.948 4.320 0.000 0.000 0.301 706 A C -2.819 174.812 177.584 0.079 0.000 1.059 706 A CA -2.029 49.993 52.037 -0.026 0.000 0.710 706 A CB 1.496 20.514 19.000 0.030 0.000 1.288 706 A HN 0.487 nan 8.150 nan 0.000 0.408 707 P HA 0.201 nan 4.420 nan 0.000 0.260 707 P C 1.089 178.370 177.300 -0.031 0.000 1.172 707 P CA 2.375 65.481 63.100 0.010 0.000 0.760 707 P CB 0.460 32.144 31.700 -0.027 0.000 0.773 708 G N 1.906 110.611 108.800 -0.158 0.000 2.175 708 G HA2 -0.287 3.674 3.960 0.000 0.000 0.265 708 G HA3 -0.287 3.674 3.960 0.000 0.000 0.265 708 G C -0.076 174.788 174.900 -0.060 0.000 0.979 708 G CA 0.672 45.689 45.100 -0.138 0.000 0.663 708 G HN 0.718 nan 8.290 nan 0.000 0.533 709 K N 0.698 121.127 120.400 0.048 0.000 2.206 709 K HA 0.753 5.073 4.320 0.000 0.000 0.264 709 K C -2.267 174.451 176.600 0.196 0.000 0.967 709 K CA -2.534 53.817 56.287 0.107 0.000 0.844 709 K CB 2.451 35.018 32.500 0.112 0.000 1.099 709 K HN 0.096 nan 8.250 nan 0.000 0.441 710 P HA 0.153 nan 4.420 nan 0.000 0.274 710 P C -0.756 176.597 177.300 0.088 0.000 1.237 710 P CA -0.498 62.680 63.100 0.130 0.000 0.793 710 P CB 0.842 32.582 31.700 0.068 0.000 0.977 711 L N 1.245 122.484 121.223 0.027 0.000 2.344 711 L HA 0.417 4.757 4.340 0.000 0.000 0.272 711 L C 1.024 177.862 176.870 -0.054 0.000 1.035 711 L CA -0.880 53.916 54.840 -0.074 0.000 0.807 711 L CB 0.947 42.868 42.059 -0.229 0.000 1.237 711 L HN 0.228 nan 8.230 nan 0.000 0.442 712 K N 1.077 121.443 120.400 -0.057 0.000 2.234 712 K HA 0.308 4.628 4.320 0.000 0.000 0.282 712 K C -1.066 175.503 176.600 -0.053 0.000 1.039 712 K CA -0.374 55.891 56.287 -0.036 0.000 0.928 712 K CB 1.387 33.873 32.500 -0.023 0.000 1.039 712 K HN 0.501 nan 8.250 nan 0.000 0.470 713 C N 5.911 125.193 119.300 -0.031 0.000 2.319 713 C HA 0.519 4.979 4.460 0.000 0.000 0.323 713 C C -0.310 174.668 174.990 -0.020 0.000 1.277 713 C CA -0.787 58.211 59.018 -0.034 0.000 1.517 713 C CB -0.661 27.067 27.740 -0.021 0.000 2.206 713 C HN 0.743 nan 8.230 nan 0.000 0.486 714 I N 7.487 128.036 120.570 -0.035 0.000 2.304 714 I HA 0.336 4.506 4.170 0.000 0.000 0.291 714 I C 0.008 176.083 176.117 -0.070 0.000 1.018 714 I CA -0.065 61.210 61.300 -0.042 0.000 1.260 714 I CB 0.980 38.956 38.000 -0.039 0.000 1.390 714 I HN 0.504 nan 8.210 nan 0.000 0.475 715 I N 7.050 127.558 120.570 -0.104 0.000 2.308 715 I HA 0.170 4.340 4.170 0.000 0.000 0.293 715 I C 0.191 176.102 176.117 -0.343 0.000 1.078 715 I CA -0.318 60.859 61.300 -0.205 0.000 1.292 715 I CB -0.007 37.861 38.000 -0.221 0.000 1.423 715 I HN 0.459 nan 8.210 nan 0.000 0.493 716 K N 6.261 126.515 120.400 -0.243 0.000 2.250 716 K HA 0.290 4.610 4.320 0.000 0.000 0.280 716 K C -0.382 176.120 176.600 -0.164 0.000 1.098 716 K CA -0.598 55.574 56.287 -0.191 0.000 0.916 716 K CB 0.372 32.824 32.500 -0.081 0.000 1.209 716 K HN 0.449 nan 8.250 nan 0.000 0.461 717 H N 2.386 121.472 119.070 0.026 0.000 2.707 717 H HA 0.017 4.573 4.556 0.000 0.000 0.359 717 H C -1.675 173.656 175.328 0.006 0.000 1.113 717 H CA -2.026 54.037 56.048 0.024 0.000 1.422 717 H CB 0.720 30.495 29.762 0.022 0.000 1.443 717 H HN 0.390 nan 8.280 nan 0.000 0.591 718 P HA -0.148 nan 4.420 nan 0.000 0.218 718 P C 1.069 178.393 177.300 0.040 0.000 1.148 718 P CA 1.122 64.255 63.100 0.055 0.000 0.822 718 P CB 0.238 31.959 31.700 0.034 0.000 0.784 719 N N -0.600 118.124 118.700 0.039 0.000 2.575 719 N HA -0.009 4.732 4.740 0.000 0.000 0.192 719 N C 1.295 176.824 175.510 0.032 0.000 1.200 719 N CA 1.084 54.146 53.050 0.020 0.000 0.897 719 N CB -1.168 37.316 38.487 -0.005 0.000 0.990 719 N HN 0.226 nan 8.380 nan 0.000 0.449 720 G N -0.627 108.203 108.800 0.050 0.000 2.199 720 G HA2 -0.318 3.642 3.960 0.000 0.000 0.254 720 G HA3 -0.318 3.642 3.960 0.000 0.000 0.254 720 G C 0.257 175.193 174.900 0.061 0.000 0.982 720 G CA 0.672 45.798 45.100 0.043 0.000 0.632 720 G HN 0.819 nan 8.290 nan 0.000 0.529 721 T N -0.873 113.738 114.554 0.095 0.000 2.868 721 T HA 0.607 4.957 4.350 0.000 0.000 0.292 721 T C -0.076 174.751 174.700 0.212 0.000 1.028 721 T CA 0.596 62.776 62.100 0.133 0.000 1.059 721 T CB 1.713 70.650 68.868 0.115 0.000 0.991 721 T HN 1.313 nan 8.240 nan 0.000 0.531 722 Q N -0.031 119.863 119.800 0.157 0.000 2.482 722 Q HA 0.622 4.963 4.340 0.000 0.000 0.286 722 Q C -1.845 174.200 176.000 0.076 0.000 1.007 722 Q CA -1.199 54.640 55.803 0.061 0.000 0.801 722 Q CB 2.139 30.869 28.738 -0.013 0.000 1.455 722 Q HN 0.889 nan 8.270 nan 0.000 0.398 723 E N 0.465 120.680 120.200 0.025 0.000 2.321 723 E HA 0.466 4.816 4.350 0.000 0.000 0.278 723 E C -1.303 175.305 176.600 0.014 0.000 0.902 723 E CA -0.932 55.497 56.400 0.048 0.000 0.758 723 E CB 2.091 31.855 29.700 0.107 0.000 1.213 723 E HN 0.499 nan 8.360 nan 0.000 0.426 724 T N 3.529 118.095 114.554 0.020 0.000 2.806 724 T HA 0.517 4.867 4.350 0.000 0.000 0.290 724 T C 0.306 175.024 174.700 0.031 0.000 0.966 724 T CA -0.503 61.607 62.100 0.016 0.000 1.060 724 T CB 0.136 69.011 68.868 0.012 0.000 0.927 724 T HN 0.496 nan 8.240 nan 0.000 0.485 725 I N 0.219 120.814 120.570 0.040 0.000 2.957 725 I HA 0.692 4.862 4.170 0.000 0.000 0.310 725 I C -1.150 175.002 176.117 0.058 0.000 1.063 725 I CA -1.551 59.789 61.300 0.066 0.000 1.033 725 I CB 1.634 39.703 38.000 0.116 0.000 1.230 725 I HN 0.385 nan 8.210 nan 0.000 0.447 726 L N 3.657 124.923 121.223 0.071 0.000 2.309 726 L HA 0.546 4.886 4.340 0.000 0.000 0.282 726 L C -0.802 176.111 176.870 0.071 0.000 1.036 726 L CA -0.740 54.133 54.840 0.056 0.000 0.806 726 L CB 1.813 43.902 42.059 0.051 0.000 1.220 726 L HN 0.474 nan 8.230 nan 0.000 0.429 727 L N 3.687 124.928 121.223 0.031 0.000 2.325 727 L HA 0.445 4.785 4.340 0.000 0.000 0.281 727 L C -0.369 176.533 176.870 0.053 0.000 1.004 727 L CA -0.710 54.135 54.840 0.009 0.000 0.823 727 L CB 1.595 43.607 42.059 -0.079 0.000 1.236 727 L HN 0.599 nan 8.230 nan 0.000 0.415 728 N N 1.527 120.271 118.700 0.072 0.000 2.493 728 N HA 0.429 5.169 4.740 0.000 0.000 0.275 728 N C -0.729 174.879 175.510 0.163 0.000 1.186 728 N CA -0.405 52.702 53.050 0.094 0.000 0.978 728 N CB 1.337 39.856 38.487 0.053 0.000 1.184 728 N HN 0.632 nan 8.380 nan 0.000 0.487 729 H N -4.133 115.000 119.070 0.105 0.000 2.996 729 H HA 0.408 4.964 4.556 0.000 0.000 0.368 729 H C -0.290 175.164 175.328 0.211 0.000 1.185 729 H CA -0.883 55.284 56.048 0.198 0.000 1.160 729 H CB 0.864 30.787 29.762 0.268 0.000 1.820 729 H HN 0.400 nan 8.280 nan 0.000 0.547 730 T N 0.059 114.752 114.554 0.231 0.000 3.214 730 T HA 0.277 4.628 4.350 0.000 0.000 0.264 730 T C -0.296 174.514 174.700 0.183 0.000 1.012 730 T CA -0.533 61.631 62.100 0.106 0.000 0.901 730 T CB -1.064 67.844 68.868 0.067 0.000 1.070 730 T HN 0.370 nan 8.240 nan 0.000 0.561 731 F N 4.136 124.153 119.950 0.113 0.000 2.538 731 F HA 0.310 4.838 4.527 0.000 0.000 0.371 731 F C 1.198 176.923 175.800 -0.124 0.000 1.087 731 F CA -0.802 57.164 58.000 -0.058 0.000 1.250 731 F CB 0.538 39.423 39.000 -0.193 0.000 1.110 731 F HN 0.334 nan 8.300 nan 0.000 0.570 732 N N 1.487 120.117 118.700 -0.116 0.000 2.604 732 N HA 0.124 4.864 4.740 0.000 0.000 0.297 732 N C 0.597 175.965 175.510 -0.236 0.000 1.266 732 N CA -0.620 52.351 53.050 -0.132 0.000 0.961 732 N CB 0.487 38.880 38.487 -0.157 0.000 1.166 732 N HN 0.489 nan 8.380 nan 0.000 0.601 733 E N -0.843 119.237 120.200 -0.200 0.000 2.204 733 E HA -0.111 4.239 4.350 0.000 0.000 0.194 733 E C 1.319 177.760 176.600 -0.264 0.000 0.989 733 E CA 1.829 58.106 56.400 -0.205 0.000 0.824 733 E CB -0.526 29.097 29.700 -0.129 0.000 0.756 733 E HN 0.804 nan 8.360 nan 0.000 0.477 734 T N -2.064 112.276 114.554 -0.357 0.000 2.857 734 T HA -0.115 4.235 4.350 0.000 0.000 0.266 734 T C 1.820 175.966 174.700 -0.924 0.000 1.048 734 T CA 1.040 62.872 62.100 -0.448 0.000 1.139 734 T CB -0.258 68.402 68.868 -0.346 0.000 0.874 734 T HN 0.153 nan 8.240 nan 0.000 0.455 735 Q N 0.692 119.807 119.800 -1.141 0.000 2.079 735 Q HA 0.129 4.470 4.340 0.000 0.000 0.200 735 Q C 2.389 178.210 176.000 -0.299 0.000 0.974 735 Q CA 1.305 56.337 55.803 -1.286 0.000 0.840 735 Q CB -0.462 27.581 28.738 -1.158 0.000 0.898 735 Q HN 0.532 nan 8.270 nan 0.000 0.430 736 I N 0.982 121.463 120.570 -0.150 0.000 2.248 736 I HA -0.269 3.901 4.170 0.000 0.000 0.248 736 I C 2.123 178.259 176.117 0.031 0.000 1.107 736 I CA 0.959 62.179 61.300 -0.133 0.000 1.373 736 I CB -0.211 37.535 38.000 -0.424 0.000 1.055 736 I HN 0.212 nan 8.210 nan 0.000 0.418 737 E N -0.031 120.142 120.200 -0.046 0.000 2.274 737 E HA -0.174 4.176 4.350 0.000 0.000 0.194 737 E C 1.933 178.673 176.600 0.234 0.000 0.996 737 E CA 0.874 57.319 56.400 0.076 0.000 0.840 737 E CB -0.080 29.645 29.700 0.042 0.000 0.772 737 E HN 0.545 nan 8.360 nan 0.000 0.491 738 W N 0.074 121.423 121.300 0.082 0.000 2.388 738 W HA -0.112 4.548 4.660 0.000 0.000 0.294 738 W C 2.109 178.691 176.519 0.105 0.000 1.212 738 W CA 0.000 57.393 57.345 0.079 0.000 1.271 738 W CB -1.509 27.993 29.460 0.069 0.000 1.126 738 W HN 0.063 nan 8.180 nan 0.000 0.535 739 F N 1.836 121.957 119.950 0.286 0.000 2.051 739 F HA -0.173 4.354 4.527 0.000 0.000 0.296 739 F C 2.462 178.293 175.800 0.052 0.000 1.122 739 F CA 1.956 60.031 58.000 0.125 0.000 1.201 739 F CB -0.687 38.349 39.000 0.059 0.000 0.978 739 F HN -0.264 nan 8.300 nan 0.000 0.472 740 R N 0.172 120.577 120.500 -0.158 0.000 2.105 740 R HA -0.115 4.225 4.340 0.000 0.000 0.239 740 R C 2.244 178.567 176.300 0.039 0.000 1.135 740 R CA 1.288 57.377 56.100 -0.019 0.000 0.967 740 R CB -0.939 29.503 30.300 0.237 0.000 0.861 740 R HN 0.406 nan 8.270 nan 0.000 0.442 741 A N -0.301 122.553 122.820 0.057 0.000 2.167 741 A HA 0.173 4.493 4.320 0.000 0.000 0.214 741 A C 1.631 179.241 177.584 0.044 0.000 1.151 741 A CA 1.150 53.227 52.037 0.067 0.000 0.735 741 A CB -0.009 19.051 19.000 0.100 0.000 0.802 741 A HN 0.497 nan 8.150 nan 0.000 0.467 742 G N -1.617 107.181 108.800 -0.003 0.000 2.254 742 G HA2 -0.091 3.869 3.960 0.000 0.000 0.225 742 G HA3 -0.091 3.869 3.960 0.000 0.000 0.225 742 G C 0.329 175.278 174.900 0.083 0.000 1.003 742 G CA 0.472 45.581 45.100 0.015 0.000 0.622 742 G HN 2.097 nan 8.290 nan 0.000 0.507 743 S N -1.956 113.810 115.700 0.109 0.000 2.633 743 S HA 0.769 5.239 4.470 0.000 0.000 0.271 743 S C 0.808 175.413 174.600 0.009 0.000 1.112 743 S CA 0.578 58.835 58.200 0.095 0.000 0.828 743 S CB 0.866 64.156 63.200 0.151 0.000 1.086 743 S HN 1.792 nan 8.310 nan 0.000 0.461 744 A N 0.746 123.418 122.820 -0.247 0.000 1.930 744 A HA 0.101 4.421 4.320 0.000 0.000 0.217 744 A C 1.982 179.400 177.584 -0.276 0.000 1.175 744 A CA 1.530 53.200 52.037 -0.611 0.000 0.627 744 A CB -0.970 17.186 19.000 -1.407 0.000 0.815 744 A HN 1.112 nan 8.150 nan 0.000 0.443 745 L N -0.065 121.044 121.223 -0.190 0.000 1.989 745 L HA -0.265 4.075 4.340 0.000 0.000 0.211 745 L C 2.176 179.004 176.870 -0.070 0.000 1.071 745 L CA 2.224 56.992 54.840 -0.121 0.000 0.749 745 L CB -0.480 41.516 42.059 -0.105 0.000 0.890 745 L HN 0.341 nan 8.230 nan 0.000 0.431 746 N N 0.161 118.844 118.700 -0.029 0.000 2.069 746 N HA -0.266 4.474 4.740 0.000 0.000 0.191 746 N C 1.865 177.384 175.510 0.015 0.000 1.031 746 N CA 1.766 54.815 53.050 -0.001 0.000 0.852 746 N CB -0.504 38.002 38.487 0.032 0.000 1.018 746 N HN 0.342 nan 8.380 nan 0.000 0.423 747 R N 0.988 121.514 120.500 0.043 0.000 2.103 747 R HA -0.078 4.262 4.340 0.000 0.000 0.242 747 R C 2.206 178.536 176.300 0.050 0.000 1.142 747 R CA 1.586 57.737 56.100 0.084 0.000 0.960 747 R CB -0.570 29.846 30.300 0.192 0.000 0.858 747 R HN 0.331 nan 8.270 nan 0.000 0.439 748 M N 0.399 120.005 119.600 0.011 0.000 2.059 748 M HA -0.167 4.314 4.480 0.000 0.000 0.259 748 M C 1.485 177.775 176.300 -0.017 0.000 1.072 748 M CA 1.891 57.187 55.300 -0.007 0.000 1.117 748 M CB -0.091 32.481 32.600 -0.047 0.000 1.320 748 M HN 0.035 nan 8.290 nan 0.000 0.408 749 K N 0.840 121.221 120.400 -0.031 0.000 2.103 749 K HA -0.227 4.093 4.320 0.000 0.000 0.207 749 K C 1.823 178.415 176.600 -0.013 0.000 1.048 749 K CA 2.182 58.450 56.287 -0.032 0.000 0.930 749 K CB -0.831 31.646 32.500 -0.039 0.000 0.716 749 K HN 0.770 nan 8.250 nan 0.000 0.444 750 E N 1.084 121.286 120.200 0.002 0.000 2.152 750 E HA -0.100 4.250 4.350 0.000 0.000 0.192 750 E C 2.118 178.726 176.600 0.013 0.000 0.983 750 E CA 0.504 56.910 56.400 0.010 0.000 0.818 750 E CB -0.371 29.342 29.700 0.022 0.000 0.758 750 E HN 0.180 nan 8.360 nan 0.000 0.467 751 L N 0.604 121.839 121.223 0.019 0.000 2.201 751 L HA -0.125 4.215 4.340 0.000 0.000 0.212 751 L C 2.123 178.999 176.870 0.009 0.000 1.105 751 L CA 1.096 55.948 54.840 0.020 0.000 0.775 751 L CB -0.215 41.861 42.059 0.029 0.000 0.913 751 L HN 0.200 nan 8.230 nan 0.000 0.440 752 Q N 0.483 120.282 119.800 -0.001 0.000 2.291 752 Q HA -0.031 4.310 4.340 0.000 0.000 0.211 752 Q C -0.176 175.819 176.000 -0.008 0.000 0.925 752 Q CA -0.159 55.638 55.803 -0.009 0.000 0.949 752 Q CB 0.198 28.921 28.738 -0.025 0.000 1.015 752 Q HN 0.348 nan 8.270 nan 0.000 0.477 753 Q N -0.885 118.914 119.800 -0.003 0.000 2.435 753 Q HA -0.228 4.113 4.340 0.000 0.000 0.312 753 Q C -0.848 175.148 176.000 -0.008 0.000 1.333 753 Q CA 1.232 57.034 55.803 -0.003 0.000 0.883 753 Q CB -2.031 26.706 28.738 -0.001 0.000 1.170 753 Q HN 0.394 nan 8.270 nan 0.000 0.443 754 K N 0.000 120.394 120.400 -0.011 0.000 2.780 754 K HA 0.000 4.320 4.320 0.000 0.000 0.191 754 K CA 0.000 56.278 56.287 -0.016 0.000 0.838 754 K CB 0.000 32.485 32.500 -0.025 0.000 1.064 754 K HN 0.000 nan 8.250 nan 0.000 0.543