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 1c96_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 KDSSGQRVAV 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 0.000 176.271 176.300 -0.048 0.000 0.893 2 R CA 0.000 56.103 56.100 0.006 0.000 0.921 2 R CB 0.000 30.294 30.300 -0.010 0.000 0.687 3 A N 3.556 126.355 122.820 -0.036 0.000 2.340 3 A HA 0.448 4.768 4.320 0.000 0.000 0.268 3 A C -0.509 176.916 177.584 -0.264 0.000 1.100 3 A CA -0.370 51.607 52.037 -0.100 0.000 0.803 3 A CB 0.626 19.615 19.000 -0.019 0.000 1.043 3 A HN 0.693 nan 8.150 nan 0.000 0.488 4 K N 1.976 122.146 120.400 -0.383 0.000 2.679 4 K HA 0.412 4.732 4.320 0.000 0.000 0.188 4 K C -1.479 174.877 176.600 -0.407 0.000 1.055 4 K CA -0.162 55.630 56.287 -0.824 0.000 1.006 4 K CB 1.345 33.275 32.500 -0.949 0.000 1.317 4 K HN 0.395 nan 8.250 nan 0.000 0.584 5 V N 2.017 121.821 119.914 -0.184 0.000 2.357 5 V HA 0.353 4.474 4.120 0.000 0.000 0.284 5 V C 0.239 176.365 176.094 0.052 0.000 1.018 5 V CA -0.970 61.286 62.300 -0.074 0.000 0.841 5 V CB 1.306 33.031 31.823 -0.164 0.000 0.991 5 V HN 0.662 nan 8.190 nan 0.000 0.437 6 A N 5.200 128.053 122.820 0.056 0.000 2.425 6 A HA 0.407 4.727 4.320 0.000 0.000 0.249 6 A C 1.310 178.796 177.584 -0.162 0.000 1.084 6 A CA -0.171 51.834 52.037 -0.053 0.000 0.781 6 A CB 0.198 19.121 19.000 -0.128 0.000 1.019 6 A HN 0.918 nan 8.150 nan 0.000 0.490 7 M N 1.330 120.833 119.600 -0.161 0.000 2.144 7 M HA -0.163 4.317 4.480 0.000 0.000 0.260 7 M C 0.970 177.300 176.300 0.050 0.000 1.067 7 M CA 2.132 57.379 55.300 -0.090 0.000 1.095 7 M CB -0.303 32.325 32.600 0.046 0.000 1.365 7 M HN 0.983 nan 8.290 nan 0.000 0.406 8 S N -3.015 112.705 115.700 0.033 0.000 2.643 8 S HA 0.251 4.721 4.470 0.000 0.000 0.270 8 S C 0.148 174.680 174.600 -0.114 0.000 1.166 8 S CA -1.032 57.216 58.200 0.079 0.000 0.815 8 S CB 0.488 63.889 63.200 0.335 0.000 1.139 8 S HN 0.279 nan 8.310 nan 0.000 0.472 9 H N -0.244 118.567 119.070 -0.431 0.000 2.559 9 H HA 0.098 4.654 4.556 0.000 0.000 0.273 9 H C 0.313 175.161 175.328 -0.800 0.000 1.000 9 H CA 1.321 56.968 56.048 -0.668 0.000 1.195 9 H CB -0.071 29.167 29.762 -0.874 0.000 1.368 9 H HN 0.570 nan 8.280 nan 0.000 0.592 10 F N 0.241 120.215 119.950 0.040 0.000 2.717 10 F HA 0.146 4.673 4.527 0.000 0.000 0.295 10 F C 0.319 176.195 175.800 0.127 0.000 1.117 10 F CA 0.111 58.127 58.000 0.027 0.000 1.361 10 F CB 0.589 39.462 39.000 -0.212 0.000 1.112 10 F HN -0.090 nan 8.300 nan 0.000 0.594 11 E N 1.128 121.397 120.200 0.115 0.000 3.108 11 E HA 0.178 4.528 4.350 0.000 0.000 0.228 11 E C -1.984 174.381 176.600 -0.390 0.000 1.176 11 E CA -1.547 54.767 56.400 -0.142 0.000 0.881 11 E CB 0.817 30.400 29.700 -0.194 0.000 1.354 11 E HN -0.051 nan 8.360 nan 0.000 0.400 12 P HA -0.168 nan 4.420 nan 0.000 0.226 12 P C 0.442 177.590 177.300 -0.255 0.000 1.153 12 P CA 1.146 64.156 63.100 -0.151 0.000 0.777 12 P CB 0.118 31.824 31.700 0.010 0.000 0.794 13 H N -2.756 116.160 119.070 -0.258 0.000 2.575 13 H HA 0.296 4.852 4.556 0.000 0.000 0.267 13 H C 0.290 175.235 175.328 -0.639 0.000 0.966 13 H CA -0.200 55.620 56.048 -0.379 0.000 1.165 13 H CB -0.247 29.425 29.762 -0.150 0.000 1.433 13 H HN -0.054 nan 8.280 nan 0.000 0.544 14 E N 1.749 121.402 120.200 -0.912 0.000 2.073 14 E HA 0.144 4.494 4.350 0.000 0.000 0.269 14 E C -1.108 175.177 176.600 -0.525 0.000 0.917 14 E CA -0.584 55.455 56.400 -0.601 0.000 0.757 14 E CB 0.854 30.331 29.700 -0.371 0.000 1.111 14 E HN 0.368 nan 8.360 nan 0.000 0.410 15 Y N 1.035 121.265 120.300 -0.116 0.000 2.376 15 Y HA 0.342 4.892 4.550 0.000 0.000 0.325 15 Y C 1.124 176.917 175.900 -0.178 0.000 1.199 15 Y CA -1.008 57.000 58.100 -0.153 0.000 1.206 15 Y CB 0.689 39.074 38.460 -0.126 0.000 1.229 15 Y HN 0.339 nan 8.280 nan 0.000 0.480 16 I N 3.983 124.476 120.570 -0.127 0.000 2.556 16 I HA 0.097 4.267 4.170 0.000 0.000 0.284 16 I C 0.285 176.227 176.117 -0.292 0.000 1.114 16 I CA -0.107 60.987 61.300 -0.343 0.000 1.418 16 I CB 0.348 37.874 38.000 -0.790 0.000 1.394 16 I HN 0.371 nan 8.210 nan 0.000 0.552 17 R N 6.654 127.037 120.500 -0.194 0.000 3.559 17 R HA 0.155 4.496 4.340 0.000 0.000 0.273 17 R C -0.058 176.173 176.300 -0.115 0.000 1.423 17 R CA -0.379 55.648 56.100 -0.122 0.000 1.581 17 R CB -0.262 30.021 30.300 -0.027 0.000 1.338 17 R HN 0.579 nan 8.270 nan 0.000 0.667 18 Y N 0.894 120.965 120.300 -0.382 0.000 2.457 18 Y HA -0.117 4.433 4.550 0.000 0.000 0.292 18 Y C 1.916 177.480 175.900 -0.560 0.000 1.125 18 Y CA 0.456 58.162 58.100 -0.657 0.000 1.254 18 Y CB 0.010 37.622 38.460 -1.413 0.000 1.012 18 Y HN 0.362 nan 8.280 nan 0.000 0.555 19 D N -0.650 119.646 120.400 -0.174 0.000 2.144 19 D HA -0.158 4.482 4.640 0.000 0.000 0.200 19 D C 2.031 178.334 176.300 0.005 0.000 0.978 19 D CA 0.775 54.804 54.000 0.049 0.000 0.833 19 D CB -0.470 40.389 40.800 0.098 0.000 0.961 19 D HN 0.193 nan 8.370 nan 0.000 0.470 20 L N 0.171 121.375 121.223 -0.032 0.000 2.056 20 L HA -0.062 4.278 4.340 0.000 0.000 0.207 20 L C 2.610 179.435 176.870 -0.075 0.000 1.078 20 L CA 0.735 55.552 54.840 -0.038 0.000 0.749 20 L CB -0.863 41.173 42.059 -0.038 0.000 0.901 20 L HN 0.115 nan 8.230 nan 0.000 0.433 21 L N 0.478 121.631 121.223 -0.116 0.000 1.989 21 L HA -0.260 4.080 4.340 0.000 0.000 0.211 21 L C 2.598 179.383 176.870 -0.141 0.000 1.071 21 L CA 2.070 56.821 54.840 -0.147 0.000 0.749 21 L CB -0.614 41.375 42.059 -0.116 0.000 0.890 21 L HN 0.315 nan 8.230 nan 0.000 0.431 22 E N -0.539 119.546 120.200 -0.191 0.000 2.085 22 E HA -0.318 4.032 4.350 0.000 0.000 0.194 22 E C 2.286 178.811 176.600 -0.126 0.000 0.994 22 E CA 1.528 57.735 56.400 -0.322 0.000 0.801 22 E CB -0.140 29.425 29.700 -0.224 0.000 0.743 22 E HN 0.524 nan 8.360 nan 0.000 0.453 23 K N 0.009 120.380 120.400 -0.047 0.000 2.063 23 K HA -0.157 4.163 4.320 0.000 0.000 0.208 23 K C 1.784 178.380 176.600 -0.006 0.000 1.048 23 K CA 1.652 57.934 56.287 -0.009 0.000 0.928 23 K CB 0.056 32.559 32.500 0.005 0.000 0.713 23 K HN 0.109 nan 8.250 nan 0.000 0.442 24 N N 0.489 119.180 118.700 -0.015 0.000 2.333 24 N HA -0.025 4.715 4.740 0.000 0.000 0.178 24 N C 1.780 177.311 175.510 0.035 0.000 1.018 24 N CA 0.756 53.813 53.050 0.012 0.000 0.882 24 N CB -0.004 38.492 38.487 0.014 0.000 0.984 24 N HN 0.205 nan 8.380 nan 0.000 0.434 25 I N 1.244 121.828 120.570 0.023 0.000 2.286 25 I HA -0.224 3.946 4.170 0.000 0.000 0.248 25 I C 1.396 177.556 176.117 0.072 0.000 1.115 25 I CA 1.130 62.472 61.300 0.070 0.000 1.392 25 I CB -0.076 37.963 38.000 0.065 0.000 1.065 25 I HN -0.027 nan 8.210 nan 0.000 0.418 26 D N 0.811 121.238 120.400 0.044 0.000 2.149 26 D HA -0.085 4.556 4.640 0.000 0.000 0.201 26 D C 2.275 178.600 176.300 0.042 0.000 0.972 26 D CA 1.211 55.244 54.000 0.054 0.000 0.835 26 D CB -0.114 40.714 40.800 0.048 0.000 0.966 26 D HN 0.316 nan 8.370 nan 0.000 0.476 27 I N 0.507 121.096 120.570 0.032 0.000 2.208 27 I HA -0.235 3.935 4.170 0.000 0.000 0.245 27 I C 2.377 178.506 176.117 0.021 0.000 1.097 27 I CA 0.725 62.039 61.300 0.023 0.000 1.363 27 I CB -0.066 37.946 38.000 0.019 0.000 1.051 27 I HN -0.109 nan 8.210 nan 0.000 0.413 28 V N 1.424 121.358 119.914 0.033 0.000 2.407 28 V HA -0.207 3.913 4.120 0.000 0.000 0.245 28 V C 2.514 178.625 176.094 0.029 0.000 1.041 28 V CA 2.022 64.334 62.300 0.020 0.000 1.040 28 V CB -0.789 31.069 31.823 0.057 0.000 0.671 28 V HN 0.508 nan 8.190 nan 0.000 0.455 29 R N 0.287 120.823 120.500 0.060 0.000 2.189 29 R HA -0.107 4.233 4.340 0.000 0.000 0.223 29 R C 1.979 178.295 176.300 0.027 0.000 1.092 29 R CA 1.024 57.154 56.100 0.051 0.000 0.989 29 R CB -0.410 29.930 30.300 0.068 0.000 0.876 29 R HN 0.234 nan 8.270 nan 0.000 0.457 30 K N 1.151 121.565 120.400 0.023 0.000 2.148 30 K HA -0.015 4.306 4.320 0.000 0.000 0.204 30 K C 1.984 178.584 176.600 0.000 0.000 1.050 30 K CA 1.387 57.681 56.287 0.013 0.000 0.942 30 K CB -0.029 32.480 32.500 0.014 0.000 0.724 30 K HN 0.301 nan 8.250 nan 0.000 0.446 31 R N -0.521 119.974 120.500 -0.007 0.000 2.100 31 R HA 0.163 4.503 4.340 0.000 0.000 0.220 31 R C 2.010 178.294 176.300 -0.028 0.000 1.091 31 R CA 0.736 56.822 56.100 -0.022 0.000 0.986 31 R CB -0.061 30.217 30.300 -0.037 0.000 0.888 31 R HN 0.091 nan 8.270 nan 0.000 0.444 32 L N 0.388 121.596 121.223 -0.024 0.000 2.375 32 L HA 0.078 4.418 4.340 0.000 0.000 0.215 32 L C 0.027 176.889 176.870 -0.013 0.000 1.108 32 L CA 0.025 54.850 54.840 -0.026 0.000 0.830 32 L CB -0.198 41.850 42.059 -0.019 0.000 0.959 32 L HN 0.235 nan 8.230 nan 0.000 0.457 33 N N 1.949 120.647 118.700 -0.003 0.000 2.716 33 N HA -0.202 4.538 4.740 0.000 0.000 0.250 33 N C -0.218 175.290 175.510 -0.004 0.000 1.033 33 N CA 1.003 54.052 53.050 -0.002 0.000 0.727 33 N CB -0.738 37.743 38.487 -0.009 0.000 0.950 33 N HN 0.607 nan 8.380 nan 0.000 0.541 34 R N -2.263 118.238 120.500 0.002 0.000 2.764 34 R HA 0.692 5.032 4.340 0.000 0.000 0.270 34 R C -3.136 173.167 176.300 0.005 0.000 1.014 34 R CA -1.632 54.465 56.100 -0.005 0.000 0.904 34 R CB 0.570 30.861 30.300 -0.015 0.000 1.236 34 R HN -0.251 nan 8.270 nan 0.000 0.466 35 P HA 0.075 nan 4.420 nan 0.000 0.266 35 P C -0.870 176.422 177.300 -0.013 0.000 1.195 35 P CA -0.074 63.016 63.100 -0.016 0.000 0.768 35 P CB 0.458 32.134 31.700 -0.041 0.000 0.838 36 L N 1.745 122.965 121.223 -0.004 0.000 2.325 36 L HA 0.441 4.782 4.340 0.000 0.000 0.278 36 L C 1.260 178.094 176.870 -0.060 0.000 1.023 36 L CA -0.787 54.055 54.840 0.003 0.000 0.811 36 L CB 1.670 43.760 42.059 0.051 0.000 1.249 36 L HN 0.424 nan 8.230 nan 0.000 0.431 37 T N -1.186 113.307 114.554 -0.101 0.000 2.732 37 T HA 0.117 4.467 4.350 0.000 0.000 0.287 37 T C 0.928 175.600 174.700 -0.046 0.000 0.993 37 T CA -0.519 61.512 62.100 -0.114 0.000 0.966 37 T CB 0.867 69.668 68.868 -0.111 0.000 1.047 37 T HN 0.456 nan 8.240 nan 0.000 0.527 38 L N 1.126 122.353 121.223 0.007 0.000 2.056 38 L HA 0.000 4.340 4.340 0.000 0.000 0.207 38 L C 2.784 179.651 176.870 -0.005 0.000 1.078 38 L CA 2.493 57.349 54.840 0.025 0.000 0.749 38 L CB -1.281 40.818 42.059 0.066 0.000 0.901 38 L HN 0.945 nan 8.230 nan 0.000 0.433 39 S N -1.599 114.087 115.700 -0.023 0.000 2.383 39 S HA -0.165 4.306 4.470 0.000 0.000 0.227 39 S C 1.786 176.271 174.600 -0.191 0.000 1.026 39 S CA 1.037 59.202 58.200 -0.059 0.000 0.981 39 S CB -0.663 62.514 63.200 -0.039 0.000 0.818 39 S HN 0.607 nan 8.310 nan 0.000 0.472 40 E N 1.626 121.650 120.200 -0.294 0.000 2.077 40 E HA -0.107 4.243 4.350 0.000 0.000 0.193 40 E C 2.184 178.488 176.600 -0.493 0.000 0.989 40 E CA 1.058 57.042 56.400 -0.693 0.000 0.800 40 E CB -0.144 29.277 29.700 -0.465 0.000 0.746 40 E HN 0.577 nan 8.360 nan 0.000 0.452 41 K N 0.551 120.859 120.400 -0.153 0.000 2.020 41 K HA -0.170 4.150 4.320 0.000 0.000 0.212 41 K C 2.174 178.789 176.600 0.025 0.000 1.050 41 K CA 1.394 57.677 56.287 -0.007 0.000 0.929 41 K CB -0.196 32.335 32.500 0.053 0.000 0.714 41 K HN 0.126 nan 8.250 nan 0.000 0.443 42 I N 0.433 121.022 120.570 0.031 0.000 2.353 42 I HA -0.222 3.948 4.170 0.000 0.000 0.248 42 I C 2.214 178.451 176.117 0.199 0.000 1.119 42 I CA 0.740 62.123 61.300 0.139 0.000 1.417 42 I CB -0.115 37.953 38.000 0.113 0.000 1.078 42 I HN -0.054 nan 8.210 nan 0.000 0.421 43 V N 0.226 120.161 119.914 0.034 0.000 2.283 43 V HA -0.284 3.836 4.120 0.000 0.000 0.243 43 V C 2.172 178.387 176.094 0.202 0.000 1.039 43 V CA 1.879 64.224 62.300 0.075 0.000 1.016 43 V CB -0.796 30.990 31.823 -0.061 0.000 0.650 43 V HN 0.361 nan 8.190 nan 0.000 0.449 44 Y N 0.742 121.106 120.300 0.107 0.000 2.352 44 Y HA -0.067 4.483 4.550 0.000 0.000 0.292 44 Y C 2.510 178.457 175.900 0.079 0.000 1.136 44 Y CA 0.367 58.514 58.100 0.079 0.000 1.227 44 Y CB -0.485 38.005 38.460 0.050 0.000 0.991 44 Y HN 0.376 nan 8.280 nan 0.000 0.545 45 G N -1.148 107.769 108.800 0.196 0.000 2.598 45 G HA2 -0.183 3.777 3.960 0.000 0.000 0.215 45 G HA3 -0.183 3.777 3.960 0.000 0.000 0.215 45 G C 0.542 175.441 174.900 -0.000 0.000 1.131 45 G CA 0.513 45.656 45.100 0.072 0.000 0.785 45 G HN 0.477 nan 8.290 nan 0.000 0.539 46 H N -0.739 118.405 119.070 0.124 0.000 2.505 46 H HA 0.385 4.941 4.556 0.000 0.000 0.286 46 H C 0.514 175.923 175.328 0.134 0.000 1.072 46 H CA -0.562 55.561 56.048 0.125 0.000 1.141 46 H CB 0.273 30.115 29.762 0.135 0.000 1.550 46 H HN 0.133 nan 8.280 nan 0.000 0.547 47 L N 0.460 121.807 121.223 0.206 0.000 2.426 47 L HA 0.016 4.356 4.340 0.000 0.000 0.271 47 L C 1.453 178.392 176.870 0.116 0.000 1.169 47 L CA 0.048 54.981 54.840 0.156 0.000 0.836 47 L CB 0.842 42.973 42.059 0.120 0.000 1.112 47 L HN 0.234 nan 8.230 nan 0.000 0.465 48 D N 0.477 120.941 120.400 0.105 0.000 2.178 48 D HA -0.158 4.483 4.640 0.000 0.000 0.202 48 D C 0.380 176.715 176.300 0.058 0.000 0.974 48 D CA 1.146 55.196 54.000 0.085 0.000 0.841 48 D CB 0.326 41.178 40.800 0.087 0.000 0.953 48 D HN 0.436 nan 8.370 nan 0.000 0.478 49 D N -1.044 119.384 120.400 0.047 0.000 2.441 49 D HA 0.154 4.794 4.640 0.000 0.000 0.287 49 D C -1.875 174.437 176.300 0.020 0.000 1.198 49 D CA -1.869 52.149 54.000 0.029 0.000 0.894 49 D CB 1.389 42.201 40.800 0.020 0.000 1.070 49 D HN 0.047 nan 8.370 nan 0.000 0.499 50 P HA -0.115 nan 4.420 nan 0.000 0.218 50 P C 1.127 178.423 177.300 -0.006 0.000 1.149 50 P CA 0.632 63.740 63.100 0.014 0.000 0.817 50 P CB 0.444 32.162 31.700 0.030 0.000 0.785 51 A N 0.116 122.935 122.820 -0.000 0.000 1.968 51 A HA -0.102 4.218 4.320 0.000 0.000 0.217 51 A C 1.748 179.323 177.584 -0.015 0.000 1.169 51 A CA 1.632 53.665 52.037 -0.006 0.000 0.638 51 A CB -1.150 17.850 19.000 0.001 0.000 0.812 51 A HN 0.274 nan 8.150 nan 0.000 0.446 52 N N -1.575 117.117 118.700 -0.014 0.000 2.171 52 N HA 0.134 4.875 4.740 0.000 0.000 0.212 52 N C 0.250 175.743 175.510 -0.029 0.000 1.184 52 N CA -0.171 52.867 53.050 -0.020 0.000 0.888 52 N CB 0.291 38.772 38.487 -0.011 0.000 1.038 52 N HN 0.422 nan 8.380 nan 0.000 0.517 53 Q N 1.883 121.662 119.800 -0.035 0.000 2.286 53 Q HA 0.006 4.347 4.340 0.000 0.000 0.290 53 Q C -0.682 175.273 176.000 -0.076 0.000 1.049 53 Q CA 0.405 56.179 55.803 -0.048 0.000 0.923 53 Q CB 0.434 29.142 28.738 -0.051 0.000 1.183 53 Q HN -0.028 nan 8.270 nan 0.000 0.383 54 E N 3.627 123.787 120.200 -0.068 0.000 2.290 54 E HA 0.311 4.661 4.350 0.000 0.000 0.277 54 E C -0.886 175.643 176.600 -0.119 0.000 1.035 54 E CA 0.077 56.428 56.400 -0.082 0.000 0.873 54 E CB 0.486 30.150 29.700 -0.060 0.000 1.029 54 E HN 0.602 nan 8.360 nan 0.000 0.419 55 I N 3.528 124.002 120.570 -0.161 0.000 2.411 55 I HA 0.307 4.477 4.170 0.000 0.000 0.284 55 I C -0.125 175.896 176.117 -0.160 0.000 1.012 55 I CA -0.288 60.872 61.300 -0.233 0.000 1.119 55 I CB 1.156 38.882 38.000 -0.457 0.000 1.261 55 I HN 0.239 nan 8.210 nan 0.000 0.448 56 E N 6.212 126.348 120.200 -0.107 0.000 2.287 56 E HA 0.347 4.697 4.350 0.000 0.000 0.274 56 E C -1.002 175.575 176.600 -0.038 0.000 0.896 56 E CA -0.883 55.477 56.400 -0.066 0.000 0.788 56 E CB 2.070 31.728 29.700 -0.070 0.000 1.244 56 E HN 0.486 nan 8.360 nan 0.000 0.408 57 R N 0.782 121.285 120.500 0.005 0.000 2.449 57 R HA 0.204 4.544 4.340 0.000 0.000 0.296 57 R C 1.005 177.295 176.300 -0.016 0.000 1.047 57 R CA 1.048 57.161 56.100 0.023 0.000 1.018 57 R CB 0.326 30.660 30.300 0.057 0.000 0.962 57 R HN 0.890 nan 8.270 nan 0.000 0.428 58 G N 2.365 111.143 108.800 -0.037 0.000 2.184 58 G HA2 -0.367 3.593 3.960 0.000 0.000 0.264 58 G HA3 -0.367 3.593 3.960 0.000 0.000 0.264 58 G C 0.642 175.473 174.900 -0.115 0.000 0.975 58 G CA 0.906 45.967 45.100 -0.065 0.000 0.642 58 G HN 0.710 nan 8.290 nan 0.000 0.536 59 K N -1.583 118.733 120.400 -0.138 0.000 2.562 59 K HA 0.315 4.636 4.320 0.000 0.000 0.218 59 K C 0.413 176.861 176.600 -0.253 0.000 1.374 59 K CA 0.396 56.573 56.287 -0.184 0.000 0.996 59 K CB 0.666 33.095 32.500 -0.118 0.000 1.127 59 K HN 0.162 nan 8.250 nan 0.000 0.603 60 T N 0.866 115.283 114.554 -0.229 0.000 2.928 60 T HA 0.375 4.725 4.350 0.000 0.000 0.284 60 T C -1.499 173.015 174.700 -0.310 0.000 1.008 60 T CA -0.341 61.635 62.100 -0.208 0.000 1.057 60 T CB 0.521 69.314 68.868 -0.125 0.000 1.018 60 T HN 0.092 nan 8.240 nan 0.000 0.493 61 Y N 2.636 122.877 120.300 -0.098 0.000 2.335 61 Y HA 0.451 5.001 4.550 0.000 0.000 0.339 61 Y C 0.225 176.058 175.900 -0.112 0.000 0.987 61 Y CA -0.836 57.189 58.100 -0.125 0.000 1.140 61 Y CB 0.783 39.150 38.460 -0.155 0.000 1.173 61 Y HN 0.322 nan 8.280 nan 0.000 0.486 62 L N 5.276 126.515 121.223 0.026 0.000 2.290 62 L HA 0.463 4.803 4.340 0.000 0.000 0.284 62 L C -0.042 176.811 176.870 -0.027 0.000 1.078 62 L CA -0.475 54.366 54.840 0.001 0.000 0.815 62 L CB 0.708 42.778 42.059 0.018 0.000 1.162 62 L HN 0.532 nan 8.230 nan 0.000 0.435 63 R N 4.541 125.045 120.500 0.007 0.000 2.198 63 R HA 0.581 4.921 4.340 0.000 0.000 0.339 63 R C -0.855 175.490 176.300 0.076 0.000 1.020 63 R CA -0.331 55.782 56.100 0.021 0.000 0.864 63 R CB 0.835 31.154 30.300 0.032 0.000 1.105 63 R HN 0.507 nan 8.270 nan 0.000 0.463 64 L N 2.422 123.714 121.223 0.115 0.000 2.313 64 L HA 0.606 4.946 4.340 0.000 0.000 0.268 64 L C 0.255 177.295 176.870 0.283 0.000 1.010 64 L CA -1.204 53.773 54.840 0.227 0.000 0.814 64 L CB 1.420 43.657 42.059 0.298 0.000 1.304 64 L HN 0.323 nan 8.230 nan 0.000 0.441 65 R N 1.363 122.031 120.500 0.280 0.000 2.443 65 R HA 0.369 4.709 4.340 0.000 0.000 0.287 65 R C -2.603 173.832 176.300 0.226 0.000 1.425 65 R CA -2.105 54.138 56.100 0.237 0.000 1.300 65 R CB 0.749 31.170 30.300 0.202 0.000 1.129 65 R HN 0.233 nan 8.270 nan 0.000 0.577 66 P HA 0.045 nan 4.420 nan 0.000 0.268 66 P C 0.329 177.645 177.300 0.026 0.000 1.208 66 P CA -0.034 63.063 63.100 -0.005 0.000 0.777 66 P CB 1.015 32.635 31.700 -0.134 0.000 0.875 67 D N 1.219 121.618 120.400 -0.001 0.000 2.249 67 D HA -0.001 4.639 4.640 0.000 0.000 0.205 67 D C 0.835 177.143 176.300 0.014 0.000 0.962 67 D CA 1.125 55.165 54.000 0.068 0.000 0.860 67 D CB 0.421 41.297 40.800 0.126 0.000 0.955 67 D HN 0.506 nan 8.370 nan 0.000 0.505 68 R N -1.303 119.164 120.500 -0.055 0.000 2.712 68 R HA 0.572 4.912 4.340 0.000 0.000 0.272 68 R C -1.818 174.400 176.300 -0.135 0.000 1.032 68 R CA -0.831 55.223 56.100 -0.077 0.000 0.874 68 R CB 1.248 31.511 30.300 -0.061 0.000 1.256 68 R HN -0.250 nan 8.270 nan 0.000 0.468 69 V N 0.298 120.128 119.914 -0.140 0.000 2.656 69 V HA 0.880 5.000 4.120 0.000 0.000 0.307 69 V C -0.705 175.307 176.094 -0.136 0.000 1.051 69 V CA -0.412 61.795 62.300 -0.155 0.000 0.893 69 V CB 1.607 33.340 31.823 -0.149 0.000 0.999 69 V HN 0.999 nan 8.190 nan 0.000 0.426 70 A N 5.589 128.342 122.820 -0.113 0.000 2.449 70 A HA 1.003 5.324 4.320 0.000 0.000 0.302 70 A C -1.009 176.562 177.584 -0.021 0.000 1.048 70 A CA -0.621 51.385 52.037 -0.052 0.000 0.708 70 A CB 1.867 20.816 19.000 -0.084 0.000 1.274 70 A HN 0.782 nan 8.150 nan 0.000 0.410 71 M N 1.307 120.940 119.600 0.055 0.000 2.501 71 M HA 0.466 4.946 4.480 0.000 0.000 0.293 71 M C -0.737 175.619 176.300 0.093 0.000 1.192 71 M CA -0.727 54.598 55.300 0.043 0.000 0.886 71 M CB 2.606 35.227 32.600 0.034 0.000 1.710 71 M HN 0.851 nan 8.290 nan 0.000 0.457 72 Q N -0.155 119.663 119.800 0.029 0.000 2.240 72 Q HA 0.408 4.748 4.340 0.000 0.000 0.260 72 Q C -0.081 175.951 176.000 0.052 0.000 1.018 72 Q CA -0.814 55.016 55.803 0.045 0.000 0.898 72 Q CB 0.653 29.375 28.738 -0.026 0.000 1.301 72 Q HN 0.667 nan 8.270 nan 0.000 0.469 73 D N 0.012 120.485 120.400 0.121 0.000 2.348 73 D HA -0.051 4.589 4.640 0.000 0.000 0.216 73 D C 0.916 177.300 176.300 0.139 0.000 0.970 73 D CA 1.011 55.116 54.000 0.175 0.000 0.889 73 D CB -0.237 40.727 40.800 0.274 0.000 0.912 73 D HN 0.548 nan 8.370 nan 0.000 0.524 74 A N 0.282 123.113 122.820 0.019 0.000 2.132 74 A HA 0.084 4.404 4.320 0.000 0.000 0.213 74 A C 1.953 179.557 177.584 0.034 0.000 1.154 74 A CA 1.213 53.252 52.037 0.004 0.000 0.753 74 A CB -0.330 18.613 19.000 -0.096 0.000 0.826 74 A HN 0.359 nan 8.150 nan 0.000 0.469 75 T N -4.624 109.946 114.554 0.027 0.000 3.044 75 T HA 0.529 4.879 4.350 0.000 0.000 0.260 75 T C 1.382 176.154 174.700 0.121 0.000 1.019 75 T CA 0.672 62.839 62.100 0.111 0.000 0.921 75 T CB 0.538 69.442 68.868 0.060 0.000 1.053 75 T HN 0.321 nan 8.240 nan 0.000 0.533 76 A N 1.641 124.538 122.820 0.129 0.000 2.030 76 A HA 0.121 4.441 4.320 0.000 0.000 0.215 76 A C 2.357 180.067 177.584 0.210 0.000 1.164 76 A CA 0.483 52.604 52.037 0.141 0.000 0.697 76 A CB -0.366 18.722 19.000 0.147 0.000 0.827 76 A HN 0.504 nan 8.150 nan 0.000 0.457 77 Q N -1.372 118.586 119.800 0.264 0.000 2.020 77 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 77 Q C 2.021 178.172 176.000 0.251 0.000 0.982 77 Q CA 1.765 57.775 55.803 0.345 0.000 0.838 77 Q CB -0.273 28.623 28.738 0.264 0.000 0.899 77 Q HN 0.549 nan 8.270 nan 0.000 0.423 78 M N 0.173 119.880 119.600 0.179 0.000 2.319 78 M HA 0.006 4.486 4.480 0.000 0.000 0.265 78 M C 1.879 178.220 176.300 0.068 0.000 1.068 78 M CA 1.116 56.464 55.300 0.080 0.000 1.118 78 M CB -0.288 32.303 32.600 -0.015 0.000 1.395 78 M HN 0.215 nan 8.290 nan 0.000 0.435 79 A N -0.373 122.501 122.820 0.089 0.000 1.898 79 A HA -0.137 4.184 4.320 0.000 0.000 0.216 79 A C 2.018 179.661 177.584 0.099 0.000 1.181 79 A CA 1.618 53.696 52.037 0.067 0.000 0.620 79 A CB -0.476 18.552 19.000 0.047 0.000 0.819 79 A HN 0.449 nan 8.150 nan 0.000 0.442 80 M N -0.558 119.130 119.600 0.147 0.000 2.349 80 M HA 0.107 4.587 4.480 0.000 0.000 0.266 80 M C 2.024 178.451 176.300 0.212 0.000 1.076 80 M CA 0.836 56.235 55.300 0.165 0.000 1.126 80 M CB -1.321 31.367 32.600 0.148 0.000 1.392 80 M HN 0.359 nan 8.290 nan 0.000 0.440 81 L N -0.088 121.271 121.223 0.227 0.000 2.079 81 L HA -0.246 4.094 4.340 0.000 0.000 0.210 81 L C 2.433 179.322 176.870 0.032 0.000 1.081 81 L CA 1.357 56.273 54.840 0.128 0.000 0.752 81 L CB -0.651 41.434 42.059 0.043 0.000 0.896 81 L HN 0.377 nan 8.230 nan 0.000 0.433 82 Q N -1.343 118.468 119.800 0.018 0.000 2.297 82 Q HA -0.161 4.179 4.340 0.000 0.000 0.204 82 Q C 2.010 177.995 176.000 -0.025 0.000 0.962 82 Q CA 1.120 56.907 55.803 -0.026 0.000 0.879 82 Q CB -0.034 28.689 28.738 -0.026 0.000 0.947 82 Q HN 0.420 nan 8.270 nan 0.000 0.462 83 F N 0.789 120.661 119.950 -0.130 0.000 2.234 83 F HA -0.065 4.462 4.527 0.000 0.000 0.296 83 F C 1.769 177.387 175.800 -0.303 0.000 1.089 83 F CA 0.726 58.598 58.000 -0.215 0.000 1.343 83 F CB 0.037 38.879 39.000 -0.264 0.000 1.040 83 F HN -0.061 nan 8.300 nan 0.000 0.498 84 I N -0.662 119.770 120.570 -0.230 0.000 2.118 84 I HA -0.405 3.765 4.170 0.000 0.000 0.241 84 I C 2.730 178.736 176.117 -0.185 0.000 1.070 84 I CA 1.835 63.010 61.300 -0.208 0.000 1.327 84 I CB -0.781 37.251 38.000 0.054 0.000 1.034 84 I HN 0.149 nan 8.210 nan 0.000 0.405 85 S N 0.301 115.918 115.700 -0.139 0.000 2.402 85 S HA -0.214 4.257 4.470 0.000 0.000 0.233 85 S C 2.122 176.615 174.600 -0.179 0.000 1.030 85 S CA 1.921 60.045 58.200 -0.127 0.000 1.003 85 S CB -0.340 62.796 63.200 -0.107 0.000 0.813 85 S HN 0.647 nan 8.310 nan 0.000 0.477 86 S N 0.050 115.580 115.700 -0.284 0.000 2.481 86 S HA 0.194 4.664 4.470 0.000 0.000 0.231 86 S C 1.569 175.998 174.600 -0.285 0.000 0.996 86 S CA 1.038 59.063 58.200 -0.290 0.000 0.942 86 S CB -0.839 62.132 63.200 -0.382 0.000 0.768 86 S HN 1.217 nan 8.310 nan 0.000 0.520 87 G N 0.893 109.505 108.800 -0.315 0.000 2.225 87 G HA2 -0.204 3.756 3.960 0.000 0.000 0.267 87 G HA3 -0.204 3.756 3.960 0.000 0.000 0.267 87 G C -0.204 174.593 174.900 -0.171 0.000 1.024 87 G CA 0.254 45.247 45.100 -0.177 0.000 0.784 87 G HN 0.467 nan 8.290 nan 0.000 0.507 88 L N 0.855 121.848 121.223 -0.383 0.000 2.371 88 L HA 0.415 4.756 4.340 0.000 0.000 0.272 88 L C 0.021 176.939 176.870 0.080 0.000 1.124 88 L CA -1.774 52.943 54.840 -0.204 0.000 0.816 88 L CB 1.056 42.914 42.059 -0.333 0.000 1.129 88 L HN 0.029 nan 8.230 nan 0.000 0.448 89 P HA -0.011 nan 4.420 nan 0.000 0.230 89 P C -0.630 176.898 177.300 0.380 0.000 1.168 89 P CA 0.603 63.868 63.100 0.275 0.000 0.793 89 P CB 0.536 32.311 31.700 0.125 0.000 0.851 90 K N -0.961 119.678 120.400 0.397 0.000 2.575 90 K HA 0.453 4.774 4.320 0.000 0.000 0.279 90 K C -0.448 176.375 176.600 0.371 0.000 0.969 90 K CA -1.103 55.415 56.287 0.385 0.000 0.868 90 K CB 1.735 34.348 32.500 0.188 0.000 1.457 90 K HN -0.205 nan 8.250 nan 0.000 0.426 91 V N -0.666 119.344 119.914 0.160 0.000 2.963 91 V HA 0.430 4.551 4.120 0.000 0.000 0.306 91 V C 1.115 177.247 176.094 0.064 0.000 1.077 91 V CA 0.569 62.862 62.300 -0.012 0.000 1.124 91 V CB 0.860 32.508 31.823 -0.293 0.000 0.987 91 V HN 1.021 nan 8.190 nan 0.000 0.487 92 A N 3.384 126.244 122.820 0.067 0.000 2.021 92 A HA 0.458 4.778 4.320 0.000 0.000 0.216 92 A C 0.977 178.592 177.584 0.052 0.000 1.163 92 A CA 1.165 53.248 52.037 0.077 0.000 0.676 92 A CB -0.397 18.662 19.000 0.097 0.000 0.818 92 A HN 1.829 nan 8.150 nan 0.000 0.453 93 V N -5.281 114.646 119.914 0.021 0.000 3.126 93 V HA 0.625 4.745 4.120 0.000 0.000 0.314 93 V C -3.273 172.820 176.094 -0.001 0.000 1.138 93 V CA -3.085 59.224 62.300 0.016 0.000 1.034 93 V CB 1.155 32.982 31.823 0.007 0.000 1.075 93 V HN -0.020 nan 8.190 nan 0.000 0.442 94 P HA 0.293 nan 4.420 nan 0.000 0.261 94 P C -0.560 176.706 177.300 -0.056 0.000 1.183 94 P CA 0.753 63.853 63.100 0.000 0.000 0.761 94 P CB 0.379 32.090 31.700 0.018 0.000 0.785 95 S N 1.126 116.787 115.700 -0.065 0.000 2.546 95 S HA 0.753 5.223 4.470 0.000 0.000 0.274 95 S C -0.579 173.969 174.600 -0.086 0.000 1.121 95 S CA -0.683 57.455 58.200 -0.103 0.000 0.887 95 S CB 1.960 65.085 63.200 -0.126 0.000 1.094 95 S HN 0.539 nan 8.310 nan 0.000 0.474 96 T N -0.764 113.735 114.554 -0.091 0.000 2.903 96 T HA 0.782 5.132 4.350 0.000 0.000 0.299 96 T C -0.827 173.857 174.700 -0.028 0.000 1.093 96 T CA -0.664 61.402 62.100 -0.057 0.000 1.002 96 T CB 0.743 69.550 68.868 -0.101 0.000 1.127 96 T HN 0.447 nan 8.240 nan 0.000 0.488 97 I N 2.232 122.773 120.570 -0.048 0.000 2.441 97 I HA 0.416 4.586 4.170 0.000 0.000 0.295 97 I C -0.117 175.877 176.117 -0.206 0.000 0.994 97 I CA -0.917 60.383 61.300 -0.001 0.000 1.144 97 I CB 1.382 39.469 38.000 0.145 0.000 1.314 97 I HN 0.604 nan 8.210 nan 0.000 0.445 98 H N 4.608 123.668 119.070 -0.017 0.000 2.547 98 H HA 0.294 4.851 4.556 0.000 0.000 0.342 98 H C -1.123 174.163 175.328 -0.070 0.000 1.048 98 H CA -0.597 55.409 56.048 -0.070 0.000 1.204 98 H CB 2.065 31.743 29.762 -0.139 0.000 1.493 98 H HN 0.538 nan 8.280 nan 0.000 0.511 99 C N 3.752 123.001 119.300 -0.084 0.000 2.225 99 C HA 0.078 4.538 4.460 0.000 0.000 0.437 99 C C 1.244 176.229 174.990 -0.008 0.000 1.039 99 C CA -0.581 58.401 59.018 -0.059 0.000 1.406 99 C CB -1.435 26.100 27.740 -0.341 0.000 1.548 99 C HN 0.809 nan 8.230 nan 0.000 0.515 100 D N -0.865 119.587 120.400 0.088 0.000 2.473 100 D HA -0.009 4.631 4.640 0.000 0.000 0.242 100 D C 0.966 177.252 176.300 -0.025 0.000 1.106 100 D CA 0.395 54.403 54.000 0.014 0.000 0.854 100 D CB -0.315 40.457 40.800 -0.047 0.000 1.192 100 D HN 0.492 nan 8.370 nan 0.000 0.503 101 H N 0.166 119.263 119.070 0.045 0.000 2.563 101 H HA 0.388 4.944 4.556 0.000 0.000 0.264 101 H C 1.265 176.631 175.328 0.063 0.000 0.957 101 H CA 0.455 56.528 56.048 0.042 0.000 1.173 101 H CB 0.524 30.314 29.762 0.046 0.000 1.420 101 H HN 0.058 nan 8.280 nan 0.000 0.551 102 L N 0.564 121.906 121.223 0.199 0.000 2.741 102 L HA 0.266 4.607 4.340 0.000 0.000 0.237 102 L C -0.280 176.667 176.870 0.128 0.000 1.178 102 L CA 0.058 54.986 54.840 0.147 0.000 0.973 102 L CB 0.359 42.505 42.059 0.146 0.000 1.255 102 L HN 0.143 nan 8.230 nan 0.000 0.498 103 I N 1.066 121.698 120.570 0.102 0.000 2.310 103 I HA 0.089 4.259 4.170 0.000 0.000 0.287 103 I C 0.596 176.737 176.117 0.039 0.000 1.073 103 I CA -0.149 61.196 61.300 0.076 0.000 1.216 103 I CB 0.984 39.016 38.000 0.054 0.000 1.415 103 I HN 0.163 nan 8.210 nan 0.000 0.480 104 E N 5.799 126.028 120.200 0.048 0.000 2.324 104 E HA 0.346 4.696 4.350 0.000 0.000 0.271 104 E C -0.183 176.459 176.600 0.069 0.000 1.028 104 E CA -0.575 55.861 56.400 0.060 0.000 0.890 104 E CB 0.954 30.686 29.700 0.053 0.000 1.004 104 E HN 0.685 nan 8.360 nan 0.000 0.431 105 A N 4.736 127.611 122.820 0.093 0.000 2.396 105 A HA 0.091 4.412 4.320 0.000 0.000 0.279 105 A C 0.369 178.063 177.584 0.184 0.000 1.165 105 A CA -0.036 52.057 52.037 0.094 0.000 0.824 105 A CB 0.848 19.861 19.000 0.023 0.000 1.100 105 A HN 0.942 nan 8.150 nan 0.000 0.516 106 Q N 1.653 121.528 119.800 0.126 0.000 2.419 106 Q HA 0.158 4.498 4.340 0.000 0.000 0.187 106 Q C 0.311 176.367 176.000 0.094 0.000 0.686 106 Q CA -0.134 55.743 55.803 0.123 0.000 0.897 106 Q CB 0.198 28.984 28.738 0.081 0.000 1.263 106 Q HN 0.623 nan 8.270 nan 0.000 0.457 107 L N 0.128 121.389 121.223 0.063 0.000 2.609 107 L HA 0.439 4.779 4.340 0.000 0.000 0.230 107 L C 0.841 177.732 176.870 0.036 0.000 1.087 107 L CA 1.234 56.102 54.840 0.047 0.000 0.874 107 L CB 0.100 42.181 42.059 0.036 0.000 1.114 107 L HN 0.421 nan 8.230 nan 0.000 0.488 108 G N -0.791 108.026 108.800 0.028 0.000 2.629 108 G HA2 0.214 4.174 3.960 0.000 0.000 0.686 108 G HA3 0.214 4.174 3.960 0.000 0.000 0.686 108 G C 0.608 175.512 174.900 0.007 0.000 1.232 108 G CA -0.269 44.836 45.100 0.009 0.000 0.803 108 G HN 0.528 nan 8.290 nan 0.000 0.638 109 G N 1.099 109.896 108.800 -0.005 0.000 2.679 109 G HA2 -0.211 3.749 3.960 0.000 0.000 0.373 109 G HA3 -0.211 3.749 3.960 0.000 0.000 0.373 109 G C 1.322 176.225 174.900 0.005 0.000 1.114 109 G CA 2.345 47.443 45.100 -0.004 0.000 0.898 109 G HN 2.403 nan 8.290 nan 0.000 0.648 110 E N 0.085 120.291 120.200 0.009 0.000 2.474 110 E HA 0.312 4.662 4.350 0.000 0.000 0.194 110 E C 2.059 178.671 176.600 0.020 0.000 1.041 110 E CA 0.991 57.400 56.400 0.014 0.000 0.874 110 E CB 0.177 29.885 29.700 0.013 0.000 0.914 110 E HN 0.389 nan 8.360 nan 0.000 0.498 111 K N 1.237 121.649 120.400 0.020 0.000 2.002 111 K HA -0.101 4.219 4.320 0.000 0.000 0.209 111 K C 1.411 178.028 176.600 0.029 0.000 1.048 111 K CA 1.635 57.936 56.287 0.024 0.000 0.930 111 K CB -0.361 32.153 32.500 0.023 0.000 0.714 111 K HN 0.151 nan 8.250 nan 0.000 0.438 112 D N -0.043 120.374 120.400 0.028 0.000 2.144 112 D HA -0.140 4.500 4.640 0.000 0.000 0.199 112 D C 1.787 178.111 176.300 0.041 0.000 0.984 112 D CA 0.715 54.735 54.000 0.034 0.000 0.834 112 D CB -0.176 40.642 40.800 0.029 0.000 0.955 112 D HN 0.025 nan 8.370 nan 0.000 0.465 113 L N 0.904 122.148 121.223 0.034 0.000 2.056 113 L HA -0.055 4.285 4.340 0.000 0.000 0.207 113 L C 2.209 179.114 176.870 0.058 0.000 1.078 113 L CA 1.570 56.434 54.840 0.041 0.000 0.749 113 L CB -0.358 41.713 42.059 0.020 0.000 0.901 113 L HN -0.154 nan 8.230 nan 0.000 0.433 114 R N -0.549 119.979 120.500 0.047 0.000 2.096 114 R HA -0.204 4.136 4.340 0.000 0.000 0.235 114 R C 2.540 178.876 176.300 0.061 0.000 1.127 114 R CA 1.632 57.762 56.100 0.051 0.000 0.968 114 R CB -0.222 30.100 30.300 0.036 0.000 0.861 114 R HN 0.383 nan 8.270 nan 0.000 0.440 115 R N -0.072 120.460 120.500 0.053 0.000 2.073 115 R HA -0.103 4.237 4.340 0.000 0.000 0.234 115 R C 2.036 178.373 176.300 0.063 0.000 1.134 115 R CA 1.666 57.794 56.100 0.047 0.000 0.952 115 R CB -0.278 30.044 30.300 0.037 0.000 0.850 115 R HN 0.265 nan 8.270 nan 0.000 0.433 116 A N 0.800 123.674 122.820 0.091 0.000 2.014 116 A HA -0.098 4.222 4.320 0.000 0.000 0.218 116 A C 1.849 179.574 177.584 0.235 0.000 1.163 116 A CA 1.225 53.343 52.037 0.136 0.000 0.652 116 A CB -0.198 18.913 19.000 0.184 0.000 0.808 116 A HN 0.333 nan 8.150 nan 0.000 0.449 117 K N -0.294 120.252 120.400 0.242 0.000 2.148 117 K HA -0.096 4.224 4.320 0.000 0.000 0.204 117 K C 1.035 177.745 176.600 0.183 0.000 1.050 117 K CA 1.308 57.779 56.287 0.308 0.000 0.942 117 K CB -0.092 32.520 32.500 0.187 0.000 0.724 117 K HN 0.394 nan 8.250 nan 0.000 0.446 118 D N 0.820 121.280 120.400 0.100 0.000 2.183 118 D HA -0.019 4.622 4.640 0.000 0.000 0.205 118 D C 1.903 178.213 176.300 0.017 0.000 0.962 118 D CA 0.812 54.845 54.000 0.055 0.000 0.849 118 D CB 0.016 40.841 40.800 0.042 0.000 0.978 118 D HN 0.125 nan 8.370 nan 0.000 0.488 119 I N 1.098 121.667 120.570 -0.002 0.000 2.315 119 I HA -0.165 4.005 4.170 0.000 0.000 0.248 119 I C 0.827 176.873 176.117 -0.118 0.000 1.117 119 I CA 0.883 62.154 61.300 -0.049 0.000 1.404 119 I CB 0.001 37.974 38.000 -0.045 0.000 1.071 119 I HN -0.090 nan 8.210 nan 0.000 0.419 120 N N 0.332 118.908 118.700 -0.205 0.000 2.389 120 N HA 0.039 4.779 4.740 0.000 0.000 0.260 120 N C 1.108 176.336 175.510 -0.471 0.000 1.191 120 N CA -0.016 52.762 53.050 -0.454 0.000 0.885 120 N CB 0.923 38.914 38.487 -0.825 0.000 1.162 120 N HN 0.205 nan 8.380 nan 0.000 0.512 121 Q N 1.420 121.142 119.800 -0.129 0.000 2.096 121 Q HA -0.134 4.206 4.340 0.000 0.000 0.204 121 Q C 1.886 177.910 176.000 0.039 0.000 0.982 121 Q CA 1.533 57.355 55.803 0.032 0.000 0.850 121 Q CB 0.045 28.815 28.738 0.054 0.000 0.901 121 Q HN 0.498 nan 8.270 nan 0.000 0.422 122 E N -1.184 119.014 120.200 -0.004 0.000 2.051 122 E HA -0.165 4.185 4.350 0.000 0.000 0.192 122 E C 1.775 178.426 176.600 0.084 0.000 0.991 122 E CA 1.536 57.958 56.400 0.036 0.000 0.799 122 E CB 0.064 29.771 29.700 0.011 0.000 0.748 122 E HN 0.238 nan 8.360 nan 0.000 0.449 123 V N 0.524 120.448 119.914 0.017 0.000 2.307 123 V HA -0.236 3.885 4.120 0.000 0.000 0.245 123 V C 2.152 178.413 176.094 0.279 0.000 1.045 123 V CA 1.682 64.054 62.300 0.120 0.000 1.024 123 V CB -0.728 31.075 31.823 -0.032 0.000 0.651 123 V HN 0.349 nan 8.190 nan 0.000 0.449 124 Y N 1.302 121.717 120.300 0.192 0.000 2.224 124 Y HA -0.221 4.329 4.550 0.000 0.000 0.289 124 Y C 2.510 178.464 175.900 0.089 0.000 1.146 124 Y CA 1.368 59.600 58.100 0.220 0.000 1.182 124 Y CB -1.372 37.214 38.460 0.211 0.000 0.983 124 Y HN 0.546 nan 8.280 nan 0.000 0.524 125 N N 0.015 118.844 118.700 0.214 0.000 2.084 125 N HA -0.244 4.496 4.740 0.000 0.000 0.190 125 N C 1.755 177.283 175.510 0.029 0.000 1.030 125 N CA 1.376 54.469 53.050 0.072 0.000 0.849 125 N CB -0.869 37.670 38.487 0.087 0.000 1.012 125 N HN 0.176 nan 8.380 nan 0.000 0.423 126 F N 1.056 121.017 119.950 0.018 0.000 2.046 126 F HA -0.042 4.485 4.527 0.000 0.000 0.297 126 F C 1.862 177.666 175.800 0.007 0.000 1.123 126 F CA 1.504 59.517 58.000 0.022 0.000 1.199 126 F CB -0.625 38.408 39.000 0.055 0.000 0.972 126 F HN 0.111 nan 8.300 nan 0.000 0.474 127 L N 0.028 121.114 121.223 -0.227 0.000 2.083 127 L HA -0.154 4.186 4.340 0.000 0.000 0.209 127 L C 2.805 179.380 176.870 -0.492 0.000 1.083 127 L CA 1.130 55.797 54.840 -0.288 0.000 0.752 127 L CB -1.283 40.914 42.059 0.230 0.000 0.899 127 L HN 0.289 nan 8.230 nan 0.000 0.433 128 A N 0.202 122.532 122.820 -0.817 0.000 1.933 128 A HA -0.200 4.120 4.320 0.000 0.000 0.218 128 A C 2.433 179.648 177.584 -0.615 0.000 1.175 128 A CA 2.250 53.531 52.037 -1.261 0.000 0.628 128 A CB -0.831 17.487 19.000 -1.137 0.000 0.814 128 A HN 0.526 nan 8.150 nan 0.000 0.444 129 T N -3.132 111.179 114.554 -0.406 0.000 3.009 129 T HA 0.319 4.669 4.350 0.000 0.000 0.258 129 T C 1.941 176.485 174.700 -0.259 0.000 1.063 129 T CA 1.144 63.080 62.100 -0.274 0.000 1.139 129 T CB -0.333 68.436 68.868 -0.166 0.000 0.890 129 T HN 0.475 nan 8.240 nan 0.000 0.471 130 A N 1.840 124.459 122.820 -0.335 0.000 1.902 130 A HA 0.248 4.568 4.320 0.000 0.000 0.217 130 A C 2.634 180.170 177.584 -0.081 0.000 1.181 130 A CA 1.651 53.566 52.037 -0.204 0.000 0.623 130 A CB -1.542 17.172 19.000 -0.477 0.000 0.818 130 A HN 0.600 nan 8.150 nan 0.000 0.443 131 G N -0.787 107.905 108.800 -0.179 0.000 2.403 131 G HA2 0.096 4.056 3.960 0.000 0.000 0.216 131 G HA3 0.096 4.056 3.960 0.000 0.000 0.216 131 G C 1.715 176.547 174.900 -0.113 0.000 1.154 131 G CA 1.216 46.253 45.100 -0.106 0.000 0.784 131 G HN 0.757 nan 8.290 nan 0.000 0.538 132 A N 0.658 123.368 122.820 -0.183 0.000 1.933 132 A HA 0.007 4.327 4.320 0.000 0.000 0.218 132 A C 2.192 179.686 177.584 -0.150 0.000 1.175 132 A CA 2.103 54.044 52.037 -0.159 0.000 0.628 132 A CB -0.355 18.533 19.000 -0.186 0.000 0.814 132 A HN 0.397 nan 8.150 nan 0.000 0.444 133 K N -1.694 118.578 120.400 -0.213 0.000 2.031 133 K HA -0.083 4.238 4.320 0.000 0.000 0.205 133 K C 1.330 177.729 176.600 -0.335 0.000 1.049 133 K CA 1.398 57.476 56.287 -0.347 0.000 0.939 133 K CB -0.231 31.916 32.500 -0.589 0.000 0.717 133 K HN 0.585 nan 8.250 nan 0.000 0.438 134 Y N -0.489 119.806 120.300 -0.008 0.000 2.466 134 Y HA 0.187 4.737 4.550 0.000 0.000 0.272 134 Y C 0.976 176.862 175.900 -0.023 0.000 1.169 134 Y CA 0.142 58.265 58.100 0.038 0.000 1.285 134 Y CB 1.148 39.656 38.460 0.081 0.000 1.078 134 Y HN 0.368 nan 8.280 nan 0.000 0.523 135 G N 0.681 109.515 108.800 0.057 0.000 2.165 135 G HA2 -0.228 3.732 3.960 0.000 0.000 0.226 135 G HA3 -0.228 3.732 3.960 0.000 0.000 0.226 135 G C -0.542 174.371 174.900 0.021 0.000 1.035 135 G CA -0.039 45.082 45.100 0.035 0.000 0.744 135 G HN 0.094 nan 8.290 nan 0.000 0.501 136 V N 0.620 120.533 119.914 -0.002 0.000 2.394 136 V HA 0.735 4.855 4.120 0.000 0.000 0.282 136 V C 1.311 177.409 176.094 0.008 0.000 1.031 136 V CA -0.115 62.176 62.300 -0.015 0.000 0.881 136 V CB 1.520 33.314 31.823 -0.049 0.000 0.982 136 V HN 0.771 nan 8.190 nan 0.000 0.451 137 G N 3.151 111.979 108.800 0.047 0.000 2.491 137 G HA2 0.371 4.331 3.960 0.000 0.000 0.242 137 G HA3 0.371 4.331 3.960 0.000 0.000 0.242 137 G C -1.095 173.813 174.900 0.013 0.000 1.266 137 G CA 0.067 45.211 45.100 0.073 0.000 0.844 137 G HN 0.564 nan 8.290 nan 0.000 0.571 138 F N 1.486 121.172 119.950 -0.439 0.000 2.536 138 F HA 0.596 5.123 4.527 0.000 0.000 0.322 138 F C -1.472 174.035 175.800 -0.488 0.000 1.144 138 F CA -1.832 55.952 58.000 -0.360 0.000 0.924 138 F CB 1.433 40.242 39.000 -0.318 0.000 1.181 138 F HN 0.456 nan 8.300 nan 0.000 0.438 139 W N 6.938 127.791 121.300 -0.746 0.000 2.314 139 W HA 0.585 5.245 4.660 0.000 0.000 0.310 139 W C 0.149 176.111 176.519 -0.928 0.000 1.075 139 W CA -0.610 56.379 57.345 -0.594 0.000 1.253 139 W CB 1.051 30.254 29.460 -0.428 0.000 1.238 139 W HN 0.362 nan 8.180 nan 0.000 0.440 140 R N 3.455 123.637 120.500 -0.530 0.000 2.738 140 R HA 0.137 4.477 4.340 0.000 0.000 0.268 140 R C -2.087 174.014 176.300 -0.331 0.000 1.062 140 R CA -1.520 54.300 56.100 -0.466 0.000 1.158 140 R CB -0.301 29.890 30.300 -0.182 0.000 1.046 140 R HN 0.068 nan 8.270 nan 0.000 0.493 141 P HA -0.109 nan 4.420 nan 0.000 0.260 141 P C 0.477 177.688 177.300 -0.148 0.000 1.172 141 P CA 1.320 64.225 63.100 -0.324 0.000 0.760 141 P CB 0.389 31.816 31.700 -0.455 0.000 0.773 142 G N 2.552 111.297 108.800 -0.091 0.000 2.232 142 G HA2 -0.306 3.654 3.960 0.000 0.000 0.226 142 G HA3 -0.306 3.654 3.960 0.000 0.000 0.226 142 G C 1.375 176.262 174.900 -0.022 0.000 0.996 142 G CA 0.445 45.519 45.100 -0.044 0.000 0.626 142 G HN 0.544 nan 8.290 nan 0.000 0.509 143 S N 0.113 115.809 115.700 -0.006 0.000 2.383 143 S HA 0.411 4.881 4.470 0.000 0.000 0.229 143 S C 1.695 176.286 174.600 -0.015 0.000 1.030 143 S CA 1.687 59.924 58.200 0.061 0.000 1.002 143 S CB -0.010 63.316 63.200 0.209 0.000 0.829 143 S HN 2.572 nan 8.310 nan 0.000 0.467 144 G N 0.157 108.920 108.800 -0.061 0.000 2.334 144 G HA2 0.177 4.137 3.960 0.000 0.000 0.566 144 G HA3 0.177 4.137 3.960 0.000 0.000 0.566 144 G C -0.872 173.941 174.900 -0.144 0.000 1.413 144 G CA -0.775 44.261 45.100 -0.107 0.000 0.993 144 G HN 0.388 nan 8.290 nan 0.000 0.642 145 I N 1.836 122.307 120.570 -0.165 0.000 2.683 145 I HA 0.041 4.211 4.170 0.000 0.000 0.286 145 I C 2.284 178.217 176.117 -0.308 0.000 1.175 145 I CA -0.061 61.115 61.300 -0.207 0.000 1.429 145 I CB 0.787 38.676 38.000 -0.185 0.000 1.371 145 I HN 0.661 nan 8.210 nan 0.000 0.569 146 I N 5.722 126.039 120.570 -0.422 0.000 2.181 146 I HA -0.389 3.781 4.170 0.000 0.000 0.247 146 I C 2.249 177.935 176.117 -0.719 0.000 1.081 146 I CA 1.947 62.798 61.300 -0.747 0.000 1.340 146 I CB -0.152 37.416 38.000 -0.718 0.000 1.036 146 I HN 0.684 nan 8.210 nan 0.000 0.417 147 H N -0.285 118.646 119.070 -0.232 0.000 2.462 147 H HA -0.122 4.434 4.556 0.000 0.000 0.292 147 H C 2.067 177.297 175.328 -0.164 0.000 1.049 147 H CA 1.410 57.353 56.048 -0.176 0.000 1.334 147 H CB -0.196 29.504 29.762 -0.104 0.000 1.404 147 H HN 0.483 nan 8.280 nan 0.000 0.544 148 Q N 0.458 120.197 119.800 -0.102 0.000 2.033 148 Q HA -0.026 4.314 4.340 0.000 0.000 0.196 148 Q C 2.261 178.157 176.000 -0.173 0.000 0.970 148 Q CA 0.638 56.379 55.803 -0.104 0.000 0.828 148 Q CB -0.018 28.656 28.738 -0.106 0.000 0.895 148 Q HN 0.200 nan 8.270 nan 0.000 0.440 149 I N 0.662 121.054 120.570 -0.297 0.000 2.264 149 I HA -0.281 3.889 4.170 0.000 0.000 0.248 149 I C 2.177 178.131 176.117 -0.272 0.000 1.111 149 I CA 1.405 62.448 61.300 -0.429 0.000 1.382 149 I CB -0.998 36.594 38.000 -0.680 0.000 1.060 149 I HN 0.332 nan 8.210 nan 0.000 0.418 150 I N 0.096 120.563 120.570 -0.172 0.000 2.142 150 I HA -0.307 3.863 4.170 0.000 0.000 0.240 150 I C 2.577 178.723 176.117 0.049 0.000 1.078 150 I CA 1.090 62.415 61.300 0.042 0.000 1.343 150 I CB -0.322 37.669 38.000 -0.015 0.000 1.046 150 I HN 0.159 nan 8.210 nan 0.000 0.405 151 L N 0.883 122.112 121.223 0.011 0.000 2.079 151 L HA -0.230 4.111 4.340 0.000 0.000 0.210 151 L C 2.337 179.302 176.870 0.159 0.000 1.081 151 L CA 1.909 56.782 54.840 0.054 0.000 0.752 151 L CB -0.477 41.575 42.059 -0.011 0.000 0.896 151 L HN 0.208 nan 8.230 nan 0.000 0.433 152 E N -1.201 119.024 120.200 0.042 0.000 2.152 152 E HA -0.095 4.255 4.350 0.000 0.000 0.192 152 E C 1.328 177.852 176.600 -0.126 0.000 0.983 152 E CA 1.083 57.451 56.400 -0.054 0.000 0.818 152 E CB 0.043 29.606 29.700 -0.228 0.000 0.758 152 E HN 0.615 nan 8.360 nan 0.000 0.467 153 N N -1.318 117.278 118.700 -0.174 0.000 2.419 153 N HA 0.039 4.779 4.740 0.000 0.000 0.216 153 N C 0.797 176.135 175.510 -0.286 0.000 1.118 153 N CA 0.416 53.284 53.050 -0.304 0.000 0.850 153 N CB 0.535 38.668 38.487 -0.590 0.000 1.292 153 N HN 0.115 nan 8.380 nan 0.000 0.467 154 Y N 1.160 121.541 120.300 0.136 0.000 2.589 154 Y HA 0.462 5.012 4.550 0.000 0.000 0.271 154 Y C 1.008 176.992 175.900 0.140 0.000 1.107 154 Y CA -0.719 57.473 58.100 0.154 0.000 1.273 154 Y CB -0.093 38.419 38.460 0.086 0.000 1.266 154 Y HN -0.145 nan 8.280 nan 0.000 0.504 155 A N 1.076 124.024 122.820 0.213 0.000 2.401 155 A HA 0.506 4.826 4.320 0.000 0.000 0.259 155 A C -0.926 176.760 177.584 0.170 0.000 1.103 155 A CA -0.002 52.082 52.037 0.078 0.000 0.789 155 A CB -0.760 18.268 19.000 0.047 0.000 1.035 155 A HN 0.391 nan 8.150 nan 0.000 0.491 156 Y N -0.684 119.688 120.300 0.120 0.000 2.625 156 Y HA 0.688 5.238 4.550 0.000 0.000 0.338 156 Y C -3.284 172.693 175.900 0.128 0.000 1.123 156 Y CA -3.430 54.744 58.100 0.123 0.000 1.046 156 Y CB 0.236 38.760 38.460 0.106 0.000 1.299 156 Y HN 0.397 nan 8.280 nan 0.000 0.464 157 P HA 0.142 nan 4.420 nan 0.000 0.262 157 P C 0.787 178.239 177.300 0.253 0.000 1.182 157 P CA 2.744 65.946 63.100 0.170 0.000 0.761 157 P CB 0.543 32.210 31.700 -0.056 0.000 0.795 158 G N 1.518 110.396 108.800 0.130 0.000 2.189 158 G HA2 -0.268 3.692 3.960 0.000 0.000 0.267 158 G HA3 -0.268 3.692 3.960 0.000 0.000 0.267 158 G C 0.376 175.407 174.900 0.217 0.000 0.975 158 G CA 0.085 45.294 45.100 0.181 0.000 0.644 158 G HN 0.656 nan 8.290 nan 0.000 0.537 159 V N 0.202 120.052 119.914 -0.107 0.000 3.096 159 V HA 0.583 4.704 4.120 0.000 0.000 0.306 159 V C 0.447 176.420 176.094 -0.201 0.000 1.088 159 V CA 0.307 62.417 62.300 -0.315 0.000 1.129 159 V CB 1.505 32.759 31.823 -0.948 0.000 1.014 159 V HN 0.830 nan 8.190 nan 0.000 0.486 160 L N 6.914 127.953 121.223 -0.307 0.000 2.377 160 L HA 0.594 4.934 4.340 0.000 0.000 0.270 160 L C -0.945 175.765 176.870 -0.268 0.000 0.991 160 L CA 0.137 54.746 54.840 -0.384 0.000 0.851 160 L CB 1.170 42.771 42.059 -0.764 0.000 1.218 160 L HN 0.686 nan 8.230 nan 0.000 0.420 161 L N 6.290 127.379 121.223 -0.223 0.000 2.346 161 L HA 0.724 5.065 4.340 0.000 0.000 0.276 161 L C -0.787 175.931 176.870 -0.254 0.000 1.006 161 L CA -0.629 54.087 54.840 -0.206 0.000 0.817 161 L CB 1.616 43.581 42.059 -0.158 0.000 1.272 161 L HN 0.724 nan 8.230 nan 0.000 0.421 162 I N 1.293 121.673 120.570 -0.315 0.000 2.530 162 I HA 0.924 5.094 4.170 0.000 0.000 0.297 162 I C -0.238 175.734 176.117 -0.241 0.000 1.011 162 I CA -0.549 60.521 61.300 -0.383 0.000 1.107 162 I CB 1.960 39.522 38.000 -0.730 0.000 1.285 162 I HN 0.587 nan 8.210 nan 0.000 0.436 163 G N 1.939 110.639 108.800 -0.168 0.000 2.571 163 G HA2 0.515 4.475 3.960 0.000 0.000 0.304 163 G HA3 0.515 4.475 3.960 0.000 0.000 0.304 163 G C -0.325 174.544 174.900 -0.052 0.000 1.314 163 G CA -0.644 44.404 45.100 -0.087 0.000 0.975 163 G HN 0.777 nan 8.290 nan 0.000 0.485 164 T N -0.659 113.877 114.554 -0.029 0.000 4.098 164 T HA 0.425 4.776 4.350 0.000 0.000 0.291 164 T C -0.338 174.373 174.700 0.018 0.000 1.440 164 T CA -0.446 61.652 62.100 -0.002 0.000 1.164 164 T CB -0.149 68.722 68.868 0.005 0.000 1.313 164 T HN 0.481 nan 8.240 nan 0.000 0.951 165 D N 0.006 120.428 120.400 0.037 0.000 2.745 165 D HA 0.128 4.768 4.640 0.000 0.000 0.221 165 D C 0.454 176.769 176.300 0.026 0.000 1.237 165 D CA -0.484 53.559 54.000 0.071 0.000 0.781 165 D CB 2.041 42.944 40.800 0.171 0.000 1.575 165 D HN 0.137 nan 8.370 nan 0.000 0.482 166 S N 0.815 116.486 115.700 -0.050 0.000 2.383 166 S HA -0.169 4.302 4.470 0.000 0.000 0.229 166 S C 1.156 175.522 174.600 -0.390 0.000 1.030 166 S CA 1.223 59.289 58.200 -0.223 0.000 1.002 166 S CB -0.272 62.684 63.200 -0.406 0.000 0.829 166 S HN 0.506 nan 8.310 nan 0.000 0.467 167 H N 0.447 119.475 119.070 -0.070 0.000 2.524 167 H HA 0.221 4.777 4.556 0.000 0.000 0.280 167 H C 1.690 176.575 175.328 -0.739 0.000 1.018 167 H CA 0.345 56.206 56.048 -0.310 0.000 1.165 167 H CB -0.026 29.584 29.762 -0.254 0.000 1.411 167 H HN 0.189 nan 8.280 nan 0.000 0.569 168 T N 1.092 115.440 114.554 -0.343 0.000 2.759 168 T HA -0.122 4.228 4.350 0.000 0.000 0.269 168 T C -0.635 173.961 174.700 -0.172 0.000 1.042 168 T CA 0.928 62.913 62.100 -0.192 0.000 1.140 168 T CB -0.927 67.932 68.868 -0.016 0.000 0.864 168 T HN 0.349 nan 8.240 nan 0.000 0.455 169 P HA -0.144 nan 4.420 nan 0.000 0.220 169 P C 1.124 178.393 177.300 -0.051 0.000 1.142 169 P CA 0.981 64.049 63.100 -0.054 0.000 0.801 169 P CB -0.271 31.419 31.700 -0.017 0.000 0.764 170 N N -0.397 118.226 118.700 -0.128 0.000 2.132 170 N HA -0.164 4.576 4.740 0.000 0.000 0.191 170 N C 1.808 177.275 175.510 -0.072 0.000 1.015 170 N CA 1.705 54.687 53.050 -0.114 0.000 0.864 170 N CB -0.928 37.445 38.487 -0.190 0.000 1.006 170 N HN 0.056 nan 8.380 nan 0.000 0.430 171 G N -1.180 107.587 108.800 -0.055 0.000 2.559 171 G HA2 -0.097 3.863 3.960 0.000 0.000 0.216 171 G HA3 -0.097 3.863 3.960 0.000 0.000 0.216 171 G C 1.320 176.213 174.900 -0.013 0.000 1.126 171 G CA 0.524 45.605 45.100 -0.033 0.000 0.778 171 G HN 0.436 nan 8.290 nan 0.000 0.543 172 G N 0.729 109.539 108.800 0.016 0.000 2.509 172 G HA2 0.083 4.043 3.960 0.000 0.000 0.218 172 G HA3 0.083 4.043 3.960 0.000 0.000 0.218 172 G C 1.608 176.573 174.900 0.108 0.000 1.124 172 G CA 0.970 46.119 45.100 0.082 0.000 0.776 172 G HN 0.474 nan 8.290 nan 0.000 0.547 173 G N 0.110 108.909 108.800 -0.001 0.000 2.498 173 G HA2 -0.028 3.932 3.960 0.000 0.000 0.219 173 G HA3 -0.028 3.932 3.960 0.000 0.000 0.219 173 G C 1.084 175.915 174.900 -0.114 0.000 1.119 173 G CA 0.288 45.305 45.100 -0.140 0.000 0.766 173 G HN 0.368 nan 8.290 nan 0.000 0.552 174 L N 0.594 121.799 121.223 -0.029 0.000 3.017 174 L HA 0.437 4.778 4.340 0.000 0.000 0.255 174 L C 1.622 178.565 176.870 0.123 0.000 1.247 174 L CA 0.060 54.927 54.840 0.045 0.000 1.038 174 L CB -0.202 41.886 42.059 0.048 0.000 1.380 174 L HN 0.297 nan 8.230 nan 0.000 0.548 175 G N -0.785 108.097 108.800 0.138 0.000 2.155 175 G HA2 -0.254 3.706 3.960 0.000 0.000 0.257 175 G HA3 -0.254 3.706 3.960 0.000 0.000 0.257 175 G C 0.679 175.641 174.900 0.103 0.000 0.983 175 G CA 0.252 45.452 45.100 0.167 0.000 0.676 175 G HN 0.780 nan 8.290 nan 0.000 0.528 176 G N -1.111 107.717 108.800 0.046 0.000 2.491 176 G HA2 0.633 4.593 3.960 0.000 0.000 0.327 176 G HA3 0.633 4.593 3.960 0.000 0.000 0.327 176 G C -0.262 174.635 174.900 -0.004 0.000 1.189 176 G CA -0.941 44.150 45.100 -0.016 0.000 0.956 176 G HN 0.304 nan 8.290 nan 0.000 0.491 177 I N 0.539 121.091 120.570 -0.031 0.000 2.307 177 I HA 0.285 4.455 4.170 0.000 0.000 0.289 177 I C -0.532 175.550 176.117 -0.057 0.000 1.021 177 I CA -0.532 60.757 61.300 -0.019 0.000 1.224 177 I CB 0.548 38.544 38.000 -0.006 0.000 1.376 177 I HN 0.170 nan 8.210 nan 0.000 0.470 178 C N 7.801 127.078 119.300 -0.039 0.000 2.346 178 C HA 0.643 5.103 4.460 0.000 0.000 0.326 178 C C 0.186 175.150 174.990 -0.045 0.000 1.224 178 C CA -0.725 58.253 59.018 -0.066 0.000 1.408 178 C CB 0.729 28.433 27.740 -0.060 0.000 2.089 178 C HN 0.546 nan 8.230 nan 0.000 0.456 179 I N 2.408 122.937 120.570 -0.069 0.000 2.533 179 I HA 0.524 4.694 4.170 0.000 0.000 0.290 179 I C 0.697 176.782 176.117 -0.053 0.000 1.056 179 I CA -0.063 61.228 61.300 -0.015 0.000 1.057 179 I CB 1.807 39.868 38.000 0.102 0.000 1.240 179 I HN 0.791 nan 8.210 nan 0.000 0.423 180 G N 5.011 113.807 108.800 -0.008 0.000 2.415 180 G HA2 0.586 4.546 3.960 0.000 0.000 0.269 180 G HA3 0.586 4.546 3.960 0.000 0.000 0.269 180 G C -0.420 174.506 174.900 0.043 0.000 1.209 180 G CA -0.240 44.857 45.100 -0.004 0.000 0.835 180 G HN 0.570 nan 8.290 nan 0.000 0.534 181 V N -0.511 119.417 119.914 0.024 0.000 3.181 181 V HA 0.959 5.079 4.120 0.000 0.000 0.308 181 V C 0.535 176.666 176.094 0.060 0.000 1.214 181 V CA -0.582 61.762 62.300 0.074 0.000 1.053 181 V CB 1.293 33.142 31.823 0.043 0.000 1.069 181 V HN 1.111 nan 8.190 nan 0.000 0.441 182 G N -0.077 108.775 108.800 0.086 0.000 2.507 182 G HA2 0.481 4.441 3.960 0.000 0.000 0.271 182 G HA3 0.481 4.441 3.960 0.000 0.000 0.271 182 G C 0.997 175.920 174.900 0.039 0.000 1.189 182 G CA -0.010 45.133 45.100 0.072 0.000 0.859 182 G HN 1.575 nan 8.290 nan 0.000 0.542 183 G N 0.691 109.510 108.800 0.032 0.000 2.513 183 G HA2 -0.118 3.842 3.960 0.000 0.000 0.219 183 G HA3 -0.118 3.842 3.960 0.000 0.000 0.219 183 G C 2.020 176.921 174.900 0.002 0.000 1.160 183 G CA 1.863 46.973 45.100 0.016 0.000 0.767 183 G HN 1.052 nan 8.290 nan 0.000 0.571 184 A N 0.817 123.628 122.820 -0.015 0.000 1.978 184 A HA -0.072 4.248 4.320 0.000 0.000 0.220 184 A C 2.071 179.639 177.584 -0.027 0.000 1.170 184 A CA 2.289 54.297 52.037 -0.048 0.000 0.636 184 A CB -0.394 18.539 19.000 -0.111 0.000 0.810 184 A HN 0.348 nan 8.150 nan 0.000 0.448 185 D N -0.062 120.356 120.400 0.029 0.000 2.123 185 D HA 0.046 4.686 4.640 0.000 0.000 0.200 185 D C 2.227 178.540 176.300 0.022 0.000 0.976 185 D CA 1.450 55.521 54.000 0.118 0.000 0.831 185 D CB -0.387 40.548 40.800 0.226 0.000 0.974 185 D HN 0.413 nan 8.370 nan 0.000 0.469 186 A N 0.429 123.222 122.820 -0.045 0.000 1.972 186 A HA -0.136 4.185 4.320 0.000 0.000 0.219 186 A C 2.375 179.938 177.584 -0.035 0.000 1.169 186 A CA 1.064 53.048 52.037 -0.088 0.000 0.635 186 A CB -0.722 18.228 19.000 -0.084 0.000 0.810 186 A HN 0.148 nan 8.150 nan 0.000 0.446 187 V N 0.526 120.452 119.914 0.019 0.000 2.343 187 V HA -0.246 3.874 4.120 0.000 0.000 0.247 187 V C 2.184 178.349 176.094 0.119 0.000 1.051 187 V CA 2.260 64.622 62.300 0.103 0.000 1.036 187 V CB -0.773 31.100 31.823 0.083 0.000 0.654 187 V HN 0.493 nan 8.190 nan 0.000 0.451 188 D N 0.060 120.509 120.400 0.082 0.000 2.104 188 D HA -0.138 4.502 4.640 0.000 0.000 0.194 188 D C 2.139 178.513 176.300 0.124 0.000 0.994 188 D CA 1.419 55.486 54.000 0.112 0.000 0.830 188 D CB -0.278 40.621 40.800 0.165 0.000 0.959 188 D HN 0.325 nan 8.370 nan 0.000 0.452 189 V N 0.795 120.761 119.914 0.087 0.000 2.453 189 V HA -0.152 3.968 4.120 0.000 0.000 0.247 189 V C 2.437 178.559 176.094 0.047 0.000 1.048 189 V CA 1.007 63.346 62.300 0.065 0.000 1.049 189 V CB -0.312 31.500 31.823 -0.019 0.000 0.672 189 V HN 0.205 nan 8.190 nan 0.000 0.457 190 M N -0.036 119.573 119.600 0.014 0.000 2.296 190 M HA -0.089 4.391 4.480 0.000 0.000 0.265 190 M C 2.130 178.551 176.300 0.202 0.000 1.064 190 M CA 1.870 57.151 55.300 -0.031 0.000 1.109 190 M CB -0.424 32.003 32.600 -0.288 0.000 1.396 190 M HN 0.384 nan 8.290 nan 0.000 0.430 191 A N -0.476 122.528 122.820 0.307 0.000 2.178 191 A HA 0.368 4.688 4.320 0.000 0.000 0.211 191 A C 1.696 179.379 177.584 0.164 0.000 1.157 191 A CA 0.975 53.191 52.037 0.298 0.000 0.780 191 A CB -0.374 18.734 19.000 0.181 0.000 0.828 191 A HN 0.619 nan 8.150 nan 0.000 0.476 192 G N -1.301 107.581 108.800 0.136 0.000 2.163 192 G HA2 -0.141 3.819 3.960 0.000 0.000 0.213 192 G HA3 -0.141 3.819 3.960 0.000 0.000 0.213 192 G C -0.055 174.910 174.900 0.108 0.000 0.991 192 G CA -0.001 45.165 45.100 0.111 0.000 0.653 192 G HN 0.243 nan 8.290 nan 0.000 0.518 193 I N 1.406 122.048 120.570 0.119 0.000 2.581 193 I HA 0.330 4.501 4.170 0.000 0.000 0.288 193 I C -1.821 174.391 176.117 0.158 0.000 1.047 193 I CA -3.004 58.372 61.300 0.126 0.000 1.374 193 I CB 0.472 38.547 38.000 0.124 0.000 1.423 193 I HN -0.158 nan 8.210 nan 0.000 0.549 194 P HA -0.056 nan 4.420 nan 0.000 0.267 194 P C -0.763 176.671 177.300 0.224 0.000 1.205 194 P CA -0.040 63.161 63.100 0.168 0.000 0.765 194 P CB 0.242 32.009 31.700 0.112 0.000 0.828 195 W N 4.905 126.252 121.300 0.080 0.000 2.335 195 W HA 0.205 4.865 4.660 0.000 0.000 0.306 195 W C -0.284 176.293 176.519 0.096 0.000 1.216 195 W CA -0.250 57.145 57.345 0.083 0.000 1.237 195 W CB 0.411 29.909 29.460 0.063 0.000 1.243 195 W HN 0.367 nan 8.180 nan 0.000 0.493 196 E N 5.101 125.000 120.200 -0.501 0.000 2.197 196 E HA 0.410 4.760 4.350 0.000 0.000 0.281 196 E C -1.441 174.738 176.600 -0.702 0.000 0.995 196 E CA -1.023 55.096 56.400 -0.467 0.000 0.808 196 E CB 1.726 31.278 29.700 -0.247 0.000 1.093 196 E HN 0.375 nan 8.360 nan 0.000 0.394 197 L N 3.313 124.246 121.223 -0.483 0.000 2.438 197 L HA 0.295 4.635 4.340 0.000 0.000 0.270 197 L C -1.053 175.758 176.870 -0.098 0.000 0.972 197 L CA -0.899 53.712 54.840 -0.382 0.000 0.831 197 L CB 1.523 43.201 42.059 -0.635 0.000 1.273 197 L HN 0.203 nan 8.230 nan 0.000 0.405 198 K N 4.322 124.679 120.400 -0.071 0.000 2.419 198 K HA 0.096 4.417 4.320 0.000 0.000 0.282 198 K C -0.293 176.213 176.600 -0.156 0.000 1.056 198 K CA 0.178 56.284 56.287 -0.301 0.000 1.035 198 K CB -0.077 32.206 32.500 -0.361 0.000 0.921 198 K HN 0.717 nan 8.250 nan 0.000 0.472 199 C N 8.873 128.084 119.300 -0.148 0.000 2.250 199 C HA 0.062 4.522 4.460 0.000 0.000 0.405 199 C C -2.043 172.940 174.990 -0.011 0.000 1.516 199 C CA -1.423 57.580 59.018 -0.025 0.000 1.412 199 C CB -1.086 26.642 27.740 -0.020 0.000 2.534 199 C HN 0.690 nan 8.230 nan 0.000 0.621 200 P HA 0.172 nan 4.420 nan 0.000 0.271 200 P C -0.375 176.943 177.300 0.030 0.000 1.216 200 P CA 0.153 63.263 63.100 0.017 0.000 0.776 200 P CB 0.481 32.193 31.700 0.020 0.000 0.881 201 K N 1.066 121.478 120.400 0.020 0.000 2.107 201 K HA 0.449 4.769 4.320 0.000 0.000 0.251 201 K C -0.568 176.049 176.600 0.028 0.000 1.012 201 K CA -0.592 55.713 56.287 0.030 0.000 0.920 201 K CB 0.666 33.179 32.500 0.022 0.000 1.033 201 K HN 0.192 nan 8.250 nan 0.000 0.478 202 V N 2.947 122.885 119.914 0.040 0.000 2.577 202 V HA 0.365 4.485 4.120 0.000 0.000 0.303 202 V C -0.259 175.871 176.094 0.060 0.000 1.042 202 V CA -0.801 61.533 62.300 0.058 0.000 0.872 202 V CB 1.534 33.421 31.823 0.106 0.000 0.998 202 V HN 0.585 nan 8.190 nan 0.000 0.423 203 I N 3.679 124.232 120.570 -0.028 0.000 2.315 203 I HA 0.519 4.689 4.170 0.000 0.000 0.291 203 I C 0.984 176.920 176.117 -0.302 0.000 1.006 203 I CA -0.122 61.106 61.300 -0.119 0.000 1.265 203 I CB 1.539 39.457 38.000 -0.138 0.000 1.387 203 I HN 0.762 nan 8.210 nan 0.000 0.475 204 G N 6.024 114.541 108.800 -0.472 0.000 2.333 204 G HA2 0.475 4.436 3.960 0.000 0.000 0.290 204 G HA3 0.475 4.436 3.960 0.000 0.000 0.290 204 G C -0.559 174.052 174.900 -0.482 0.000 1.150 204 G CA -0.231 44.329 45.100 -0.900 0.000 0.895 204 G HN 0.373 nan 8.290 nan 0.000 0.444 205 V N 3.566 123.130 119.914 -0.584 0.000 2.334 205 V HA 0.297 4.417 4.120 0.000 0.000 0.281 205 V C 0.379 176.090 176.094 -0.637 0.000 1.016 205 V CA -0.889 61.093 62.300 -0.530 0.000 0.832 205 V CB 1.256 32.690 31.823 -0.649 0.000 0.999 205 V HN 0.738 nan 8.190 nan 0.000 0.439 206 K N 5.736 125.755 120.400 -0.636 0.000 2.276 206 K HA 0.522 4.842 4.320 0.000 0.000 0.285 206 K C -0.974 175.441 176.600 -0.308 0.000 1.062 206 K CA -0.475 55.369 56.287 -0.737 0.000 0.918 206 K CB 0.654 32.863 32.500 -0.485 0.000 1.055 206 K HN 0.597 nan 8.250 nan 0.000 0.477 207 L N 4.812 125.897 121.223 -0.231 0.000 2.272 207 L HA 0.344 4.684 4.340 0.000 0.000 0.289 207 L C 0.293 177.132 176.870 -0.051 0.000 1.032 207 L CA -0.678 54.114 54.840 -0.080 0.000 0.810 207 L CB 1.488 43.544 42.059 -0.004 0.000 1.205 207 L HN 0.787 nan 8.230 nan 0.000 0.422 208 T N -0.768 113.769 114.554 -0.028 0.000 2.930 208 T HA 0.855 5.205 4.350 0.000 0.000 0.290 208 T C 0.380 175.082 174.700 0.004 0.000 1.052 208 T CA -0.009 62.085 62.100 -0.009 0.000 1.017 208 T CB 2.254 71.116 68.868 -0.010 0.000 1.137 208 T HN 0.938 nan 8.240 nan 0.000 0.511 209 G N 1.142 109.949 108.800 0.011 0.000 2.512 209 G HA2 0.183 4.143 3.960 0.000 0.000 0.254 209 G HA3 0.183 4.143 3.960 0.000 0.000 0.254 209 G C -0.148 174.763 174.900 0.018 0.000 1.199 209 G CA 0.214 45.322 45.100 0.014 0.000 0.941 209 G HN 2.363 nan 8.290 nan 0.000 0.569 210 S N -1.624 114.086 115.700 0.016 0.000 2.542 210 S HA 0.612 5.083 4.470 0.000 0.000 0.276 210 S C -0.588 174.020 174.600 0.013 0.000 1.148 210 S CA -0.562 57.647 58.200 0.016 0.000 0.886 210 S CB 1.554 64.763 63.200 0.015 0.000 1.109 210 S HN 1.188 nan 8.310 nan 0.000 0.458 211 L N 3.055 124.283 121.223 0.010 0.000 2.499 211 L HA 0.392 4.732 4.340 0.000 0.000 0.273 211 L C 0.445 177.317 176.870 0.004 0.000 1.195 211 L CA 0.352 55.197 54.840 0.008 0.000 0.882 211 L CB 0.522 42.579 42.059 -0.003 0.000 1.133 211 L HN 0.975 nan 8.230 nan 0.000 0.483 212 S N 1.316 117.024 115.700 0.013 0.000 2.549 212 S HA 0.810 5.280 4.470 0.000 0.000 0.280 212 S C 0.307 174.915 174.600 0.013 0.000 1.109 212 S CA -0.281 57.923 58.200 0.006 0.000 0.905 212 S CB 2.009 65.217 63.200 0.014 0.000 1.081 212 S HN 1.051 nan 8.310 nan 0.000 0.477 213 G N 1.758 110.543 108.800 -0.025 0.000 2.634 213 G HA2 -0.358 3.602 3.960 0.000 0.000 0.318 213 G HA3 -0.358 3.602 3.960 0.000 0.000 0.318 213 G C 0.462 175.313 174.900 -0.081 0.000 1.207 213 G CA 0.907 45.972 45.100 -0.058 0.000 0.987 213 G HN 0.866 nan 8.290 nan 0.000 0.547 214 W N 1.841 123.118 121.300 -0.038 0.000 2.584 214 W HA 0.299 4.959 4.660 0.000 0.000 0.264 214 W C 1.709 178.211 176.519 -0.029 0.000 1.264 214 W CA 1.112 58.432 57.345 -0.042 0.000 1.306 214 W CB -0.169 29.256 29.460 -0.058 0.000 1.110 214 W HN 0.411 nan 8.180 nan 0.000 0.606 215 T N 1.197 115.861 114.554 0.183 0.000 2.853 215 T HA 0.234 4.584 4.350 0.000 0.000 0.298 215 T C 0.391 175.126 174.700 0.059 0.000 0.978 215 T CA -0.079 62.091 62.100 0.116 0.000 1.152 215 T CB 0.751 69.672 68.868 0.089 0.000 0.914 215 T HN -0.015 nan 8.240 nan 0.000 0.539 216 S N 2.763 118.495 115.700 0.052 0.000 2.677 216 S HA 0.560 5.031 4.470 0.000 0.000 0.304 216 S C -2.197 172.400 174.600 -0.006 0.000 1.108 216 S CA -1.843 56.364 58.200 0.013 0.000 0.944 216 S CB 1.742 64.953 63.200 0.018 0.000 1.127 216 S HN 0.210 nan 8.310 nan 0.000 0.511 217 P HA -0.172 nan 4.420 nan 0.000 0.218 217 P C 1.338 178.606 177.300 -0.054 0.000 1.154 217 P CA 1.541 64.603 63.100 -0.064 0.000 0.872 217 P CB 0.032 31.673 31.700 -0.099 0.000 0.790 218 K N 0.003 120.382 120.400 -0.035 0.000 2.113 218 K HA -0.180 4.140 4.320 0.000 0.000 0.208 218 K C 1.425 178.013 176.600 -0.020 0.000 1.047 218 K CA 1.775 58.048 56.287 -0.024 0.000 0.928 218 K CB -1.149 31.349 32.500 -0.003 0.000 0.716 218 K HN 0.092 nan 8.250 nan 0.000 0.446 219 D N -0.522 119.873 120.400 -0.007 0.000 2.269 219 D HA -0.080 4.560 4.640 0.000 0.000 0.208 219 D C 1.789 178.026 176.300 -0.106 0.000 0.963 219 D CA 0.784 54.769 54.000 -0.025 0.000 0.864 219 D CB 0.080 40.910 40.800 0.051 0.000 0.936 219 D HN 0.049 nan 8.370 nan 0.000 0.505 220 V N 1.080 120.955 119.914 -0.065 0.000 2.358 220 V HA -0.180 3.940 4.120 0.000 0.000 0.246 220 V C 2.314 178.379 176.094 -0.047 0.000 1.047 220 V CA 0.941 63.207 62.300 -0.057 0.000 1.035 220 V CB -0.186 31.617 31.823 -0.033 0.000 0.658 220 V HN 0.121 nan 8.190 nan 0.000 0.452 221 I N -0.669 119.877 120.570 -0.041 0.000 2.716 221 I HA -0.035 4.135 4.170 0.000 0.000 0.259 221 I C 1.937 178.035 176.117 -0.031 0.000 1.172 221 I CA 1.298 62.596 61.300 -0.005 0.000 1.478 221 I CB -0.209 37.794 38.000 0.005 0.000 1.104 221 I HN 0.145 nan 8.210 nan 0.000 0.439 222 L N 0.050 121.233 121.223 -0.068 0.000 2.141 222 L HA -0.169 4.171 4.340 0.000 0.000 0.209 222 L C 2.442 179.212 176.870 -0.167 0.000 1.094 222 L CA 1.080 55.874 54.840 -0.077 0.000 0.763 222 L CB -0.730 41.311 42.059 -0.030 0.000 0.908 222 L HN 0.170 nan 8.230 nan 0.000 0.437 223 K N 0.541 120.758 120.400 -0.305 0.000 1.984 223 K HA -0.102 4.218 4.320 0.000 0.000 0.209 223 K C 1.899 178.431 176.600 -0.113 0.000 1.046 223 K CA 1.577 57.668 56.287 -0.327 0.000 0.934 223 K CB -0.708 31.586 32.500 -0.345 0.000 0.717 223 K HN -0.020 nan 8.250 nan 0.000 0.438 224 V N 1.267 121.148 119.914 -0.056 0.000 2.380 224 V HA -0.269 3.851 4.120 0.000 0.000 0.251 224 V C 2.346 178.439 176.094 -0.002 0.000 1.063 224 V CA 2.087 64.382 62.300 -0.008 0.000 1.055 224 V CB -0.917 30.936 31.823 0.050 0.000 0.657 224 V HN 0.497 nan 8.190 nan 0.000 0.455 225 A N 0.164 122.982 122.820 -0.002 0.000 1.969 225 A HA -0.014 4.307 4.320 0.000 0.000 0.218 225 A C 2.405 179.995 177.584 0.009 0.000 1.169 225 A CA 1.656 53.701 52.037 0.012 0.000 0.635 225 A CB -1.016 17.994 19.000 0.016 0.000 0.810 225 A HN 0.521 nan 8.150 nan 0.000 0.445 226 G N 0.229 109.028 108.800 -0.002 0.000 2.421 226 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 226 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 226 G C 1.531 176.442 174.900 0.017 0.000 1.171 226 G CA 1.143 46.251 45.100 0.012 0.000 0.775 226 G HN 0.461 nan 8.290 nan 0.000 0.543 227 I N -0.367 120.207 120.570 0.008 0.000 2.179 227 I HA -0.095 4.075 4.170 0.000 0.000 0.242 227 I C 2.288 178.409 176.117 0.007 0.000 1.088 227 I CA 0.725 62.029 61.300 0.007 0.000 1.357 227 I CB -0.033 37.964 38.000 -0.006 0.000 1.051 227 I HN 0.106 nan 8.210 nan 0.000 0.409 228 L N 0.080 121.306 121.223 0.006 0.000 2.554 228 L HA 0.120 4.460 4.340 0.000 0.000 0.225 228 L C 0.909 177.789 176.870 0.017 0.000 1.104 228 L CA 0.912 55.755 54.840 0.006 0.000 0.866 228 L CB -0.693 41.365 42.059 -0.001 0.000 1.047 228 L HN 0.567 nan 8.230 nan 0.000 0.468 229 T N -4.857 109.711 114.554 0.023 0.000 0.541 229 T HA -0.258 4.092 4.350 0.000 0.000 0.774 229 T C 1.143 175.869 174.700 0.043 0.000 0.992 229 T CA 0.839 62.959 62.100 0.033 0.000 4.077 229 T CB -1.230 67.656 68.868 0.031 0.000 2.303 229 T HN 0.409 nan 8.240 nan 0.000 0.398 230 V N -0.780 119.168 119.914 0.057 0.000 2.688 230 V HA -0.024 4.096 4.120 0.000 0.000 0.256 230 V C 2.360 178.494 176.094 0.066 0.000 1.084 230 V CA 1.913 64.260 62.300 0.077 0.000 1.103 230 V CB -1.104 30.781 31.823 0.103 0.000 0.688 230 V HN 0.903 nan 8.190 nan 0.000 0.480 231 K N 0.932 121.361 120.400 0.048 0.000 2.354 231 K HA 0.299 4.619 4.320 0.000 0.000 0.194 231 K C 2.099 178.722 176.600 0.038 0.000 1.038 231 K CA 0.631 56.944 56.287 0.044 0.000 1.052 231 K CB 0.106 32.625 32.500 0.032 0.000 0.861 231 K HN 0.523 nan 8.250 nan 0.000 0.535 232 G N 1.081 109.900 108.800 0.031 0.000 2.509 232 G HA2 -0.150 3.810 3.960 0.000 0.000 0.218 232 G HA3 -0.150 3.810 3.960 0.000 0.000 0.218 232 G C 1.184 176.093 174.900 0.016 0.000 1.124 232 G CA 0.713 45.825 45.100 0.020 0.000 0.776 232 G HN 0.383 nan 8.290 nan 0.000 0.547 233 G N -0.425 108.389 108.800 0.024 0.000 3.126 233 G HA2 0.217 4.177 3.960 0.000 0.000 0.224 233 G HA3 0.217 4.177 3.960 0.000 0.000 0.224 233 G C 0.590 175.507 174.900 0.029 0.000 1.142 233 G CA 0.029 45.140 45.100 0.019 0.000 0.759 233 G HN 0.249 nan 8.290 nan 0.000 0.550 234 T N 1.250 115.828 114.554 0.039 0.000 2.866 234 T HA 0.367 4.717 4.350 0.000 0.000 0.293 234 T C 1.527 176.250 174.700 0.039 0.000 1.005 234 T CA 1.136 63.266 62.100 0.050 0.000 1.162 234 T CB 0.626 69.532 68.868 0.062 0.000 0.968 234 T HN 0.963 nan 8.240 nan 0.000 0.530 235 G N 1.758 110.582 108.800 0.040 0.000 2.148 235 G HA2 0.003 3.963 3.960 0.000 0.000 0.254 235 G HA3 0.003 3.963 3.960 0.000 0.000 0.254 235 G C 0.098 175.007 174.900 0.016 0.000 0.981 235 G CA -0.028 45.087 45.100 0.024 0.000 0.670 235 G HN 1.238 nan 8.290 nan 0.000 0.528 236 A N -0.690 122.142 122.820 0.020 0.000 2.401 236 A HA 0.860 5.180 4.320 0.000 0.000 0.310 236 A C -0.269 177.322 177.584 0.012 0.000 1.075 236 A CA -0.713 51.331 52.037 0.012 0.000 0.746 236 A CB 1.367 20.368 19.000 0.002 0.000 1.277 236 A HN 0.654 nan 8.150 nan 0.000 0.425 237 I N 1.665 122.239 120.570 0.006 0.000 2.359 237 I HA 0.327 4.498 4.170 0.000 0.000 0.294 237 I C -0.504 175.591 176.117 -0.037 0.000 0.987 237 I CA -0.811 60.490 61.300 0.002 0.000 1.225 237 I CB 1.868 39.874 38.000 0.010 0.000 1.366 237 I HN 0.314 nan 8.210 nan 0.000 0.466 238 V N 5.924 125.798 119.914 -0.067 0.000 2.432 238 V HA 0.203 4.323 4.120 0.000 0.000 0.275 238 V C 0.097 176.032 176.094 -0.266 0.000 1.043 238 V CA -0.356 61.820 62.300 -0.207 0.000 0.925 238 V CB 1.153 32.857 31.823 -0.199 0.000 0.985 238 V HN 0.708 nan 8.190 nan 0.000 0.466 239 E N 4.035 123.993 120.200 -0.403 0.000 2.145 239 E HA 0.400 4.750 4.350 0.000 0.000 0.262 239 E C -1.606 174.671 176.600 -0.538 0.000 0.883 239 E CA -0.625 55.580 56.400 -0.325 0.000 0.748 239 E CB 0.942 30.577 29.700 -0.108 0.000 1.140 239 E HN 0.641 nan 8.360 nan 0.000 0.417 240 Y N 4.694 124.719 120.300 -0.457 0.000 2.316 240 Y HA 0.239 4.789 4.550 0.000 0.000 0.331 240 Y C 0.786 176.483 175.900 -0.338 0.000 1.083 240 Y CA -0.099 57.631 58.100 -0.617 0.000 1.206 240 Y CB 0.671 38.272 38.460 -1.433 0.000 1.195 240 Y HN 0.508 nan 8.280 nan 0.000 0.497 241 H N 0.318 119.267 119.070 -0.201 0.000 2.959 241 H HA 0.844 5.400 4.556 0.000 0.000 0.296 241 H C -0.060 175.246 175.328 -0.037 0.000 1.421 241 H CA -1.288 54.710 56.048 -0.083 0.000 1.206 241 H CB 1.559 31.281 29.762 -0.067 0.000 1.891 241 H HN 0.852 nan 8.280 nan 0.000 0.573 242 G N -0.003 108.825 108.800 0.046 0.000 2.570 242 G HA2 -0.130 3.831 3.960 0.000 0.000 0.686 242 G HA3 -0.130 3.831 3.960 0.000 0.000 0.686 242 G C -2.257 172.661 174.900 0.030 0.000 1.257 242 G CA -0.334 44.759 45.100 -0.010 0.000 0.846 242 G HN 0.491 nan 8.290 nan 0.000 0.627 243 P HA -0.131 nan 4.420 nan 0.000 0.216 243 P C 1.976 179.301 177.300 0.041 0.000 1.157 243 P CA 2.280 65.404 63.100 0.039 0.000 0.880 243 P CB -0.233 31.485 31.700 0.031 0.000 0.791 244 G N -0.360 108.457 108.800 0.029 0.000 2.559 244 G HA2 -0.109 3.851 3.960 0.000 0.000 0.216 244 G HA3 -0.109 3.851 3.960 0.000 0.000 0.216 244 G C 1.645 176.583 174.900 0.064 0.000 1.126 244 G CA 0.147 45.270 45.100 0.037 0.000 0.778 244 G HN 0.158 nan 8.290 nan 0.000 0.543 245 V N 1.151 121.122 119.914 0.094 0.000 2.380 245 V HA -0.182 3.938 4.120 0.000 0.000 0.251 245 V C 2.104 178.250 176.094 0.087 0.000 1.063 245 V CA 1.977 64.384 62.300 0.178 0.000 1.055 245 V CB -0.240 31.711 31.823 0.212 0.000 0.657 245 V HN 0.412 nan 8.190 nan 0.000 0.455 246 D N -0.478 119.952 120.400 0.050 0.000 2.352 246 D HA -0.031 4.609 4.640 0.000 0.000 0.232 246 D C 1.986 178.310 176.300 0.040 0.000 1.055 246 D CA 1.030 55.035 54.000 0.008 0.000 0.891 246 D CB 0.286 41.130 40.800 0.073 0.000 0.897 246 D HN 0.555 nan 8.370 nan 0.000 0.529 247 S N -0.103 115.614 115.700 0.027 0.000 2.535 247 S HA 0.084 4.554 4.470 0.000 0.000 0.214 247 S C 0.693 175.283 174.600 -0.018 0.000 0.980 247 S CA -0.360 57.851 58.200 0.018 0.000 0.907 247 S CB 0.237 63.450 63.200 0.022 0.000 0.790 247 S HN 0.061 nan 8.310 nan 0.000 0.510 248 I N 2.991 123.527 120.570 -0.057 0.000 2.377 248 I HA 0.330 4.500 4.170 0.000 0.000 0.293 248 I C 0.475 176.492 176.117 -0.165 0.000 0.987 248 I CA -0.790 60.434 61.300 -0.127 0.000 1.185 248 I CB 2.008 39.891 38.000 -0.195 0.000 1.341 248 I HN 0.229 nan 8.210 nan 0.000 0.455 249 S N 3.671 119.289 115.700 -0.137 0.000 2.584 249 S HA -0.011 4.459 4.470 0.000 0.000 0.270 249 S C 1.236 175.704 174.600 -0.221 0.000 1.346 249 S CA -0.682 57.446 58.200 -0.120 0.000 1.018 249 S CB 1.240 64.407 63.200 -0.056 0.000 0.899 249 S HN 0.898 nan 8.310 nan 0.000 0.542 250 C N 2.235 121.412 119.300 -0.204 0.000 2.401 250 C HA -0.118 4.342 4.460 0.000 0.000 0.276 250 C C 2.953 177.705 174.990 -0.396 0.000 1.233 250 C CA 1.849 60.671 59.018 -0.326 0.000 1.753 250 C CB -2.155 25.379 27.740 -0.345 0.000 2.029 250 C HN 1.062 nan 8.230 nan 0.000 0.478 251 T N -1.940 112.428 114.554 -0.309 0.000 2.985 251 T HA 0.101 4.451 4.350 0.000 0.000 0.266 251 T C 1.908 176.486 174.700 -0.203 0.000 1.076 251 T CA 1.459 63.412 62.100 -0.246 0.000 1.135 251 T CB -0.740 68.070 68.868 -0.098 0.000 0.890 251 T HN 0.595 nan 8.240 nan 0.000 0.480 252 G N 0.947 109.624 108.800 -0.204 0.000 2.448 252 G HA2 0.037 3.997 3.960 0.000 0.000 0.218 252 G HA3 0.037 3.997 3.960 0.000 0.000 0.218 252 G C 1.554 176.251 174.900 -0.339 0.000 1.135 252 G CA 0.247 45.220 45.100 -0.211 0.000 0.784 252 G HN 0.444 nan 8.290 nan 0.000 0.543 253 M N 0.665 119.953 119.600 -0.521 0.000 2.254 253 M HA 0.088 4.568 4.480 0.000 0.000 0.265 253 M C 3.000 179.015 176.300 -0.475 0.000 1.066 253 M CA 1.083 55.847 55.300 -0.893 0.000 1.123 253 M CB -0.084 31.764 32.600 -1.253 0.000 1.388 253 M HN 0.310 nan 8.290 nan 0.000 0.425 254 A N 0.089 122.716 122.820 -0.323 0.000 1.902 254 A HA -0.134 4.186 4.320 0.000 0.000 0.217 254 A C 2.156 179.655 177.584 -0.142 0.000 1.181 254 A CA 2.124 54.044 52.037 -0.195 0.000 0.623 254 A CB -1.108 17.777 19.000 -0.191 0.000 0.818 254 A HN 0.413 nan 8.150 nan 0.000 0.443 255 T N 0.408 114.871 114.554 -0.151 0.000 2.720 255 T HA -0.147 4.203 4.350 0.000 0.000 0.268 255 T C 1.777 176.424 174.700 -0.088 0.000 1.037 255 T CA 1.703 63.737 62.100 -0.110 0.000 1.144 255 T CB -0.418 68.388 68.868 -0.105 0.000 0.864 255 T HN 0.437 nan 8.240 nan 0.000 0.444 256 I N 0.431 120.934 120.570 -0.113 0.000 2.202 256 I HA -0.156 4.015 4.170 0.000 0.000 0.242 256 I C 2.650 178.762 176.117 -0.008 0.000 1.091 256 I CA 0.798 62.041 61.300 -0.095 0.000 1.368 256 I CB -0.358 37.526 38.000 -0.194 0.000 1.058 256 I HN 0.323 nan 8.210 nan 0.000 0.410 257 C N 0.490 119.816 119.300 0.043 0.000 2.429 257 C HA -0.152 4.308 4.460 0.000 0.000 0.277 257 C C 2.719 177.753 174.990 0.072 0.000 1.262 257 C CA 0.972 60.063 59.018 0.122 0.000 1.733 257 C CB -1.437 26.376 27.740 0.122 0.000 2.010 257 C HN 0.591 nan 8.230 nan 0.000 0.483 258 N N 1.101 119.813 118.700 0.019 0.000 2.013 258 N HA -0.156 4.585 4.740 0.000 0.000 0.195 258 N C 1.713 177.298 175.510 0.124 0.000 1.051 258 N CA 1.785 54.852 53.050 0.028 0.000 0.851 258 N CB -0.517 37.936 38.487 -0.056 0.000 1.044 258 N HN 0.510 nan 8.380 nan 0.000 0.422 259 M N 0.332 119.968 119.600 0.061 0.000 2.630 259 M HA 0.033 4.513 4.480 0.000 0.000 0.254 259 M C 1.576 177.938 176.300 0.105 0.000 1.092 259 M CA 0.740 56.090 55.300 0.083 0.000 1.087 259 M CB -0.217 32.391 32.600 0.014 0.000 1.453 259 M HN 0.220 nan 8.290 nan 0.000 0.509 260 G N -0.032 108.832 108.800 0.107 0.000 2.479 260 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 260 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 260 G C 1.444 176.393 174.900 0.082 0.000 1.115 260 G CA 0.853 46.017 45.100 0.107 0.000 0.757 260 G HN 0.624 nan 8.290 nan 0.000 0.560 261 A N 0.716 123.584 122.820 0.080 0.000 1.978 261 A HA -0.023 4.297 4.320 0.000 0.000 0.220 261 A C 2.125 179.745 177.584 0.061 0.000 1.170 261 A CA 1.958 54.006 52.037 0.019 0.000 0.636 261 A CB -0.246 18.663 19.000 -0.152 0.000 0.810 261 A HN 0.326 nan 8.150 nan 0.000 0.448 262 E N -0.439 119.824 120.200 0.104 0.000 2.478 262 E HA -0.021 4.329 4.350 0.000 0.000 0.198 262 E C 1.439 178.099 176.600 0.100 0.000 1.046 262 E CA 0.824 57.291 56.400 0.112 0.000 0.870 262 E CB -0.251 29.502 29.700 0.088 0.000 0.818 262 E HN 0.898 nan 8.360 nan 0.000 0.527 263 I N -5.461 115.157 120.570 0.079 0.000 3.956 263 I HA 0.420 4.590 4.170 0.000 0.000 0.333 263 I C 1.189 177.345 176.117 0.066 0.000 1.302 263 I CA 0.361 61.701 61.300 0.067 0.000 1.122 263 I CB 0.404 38.432 38.000 0.047 0.000 1.013 263 I HN 0.042 nan 8.210 nan 0.000 0.405 264 G N 1.717 110.560 108.800 0.071 0.000 2.141 264 G HA2 -0.224 3.736 3.960 0.000 0.000 0.242 264 G HA3 -0.224 3.736 3.960 0.000 0.000 0.242 264 G C 0.479 175.415 174.900 0.060 0.000 0.982 264 G CA -0.038 45.105 45.100 0.071 0.000 0.662 264 G HN 0.915 nan 8.290 nan 0.000 0.527 265 A N -0.188 122.662 122.820 0.050 0.000 2.520 265 A HA 0.588 4.909 4.320 0.000 0.000 0.235 265 A C 1.681 179.294 177.584 0.049 0.000 1.065 265 A CA 1.542 53.605 52.037 0.042 0.000 0.764 265 A CB 0.188 19.211 19.000 0.038 0.000 1.002 265 A HN 0.775 nan 8.150 nan 0.000 0.502 266 T N 0.373 114.959 114.554 0.052 0.000 2.788 266 T HA 0.084 4.434 4.350 0.000 0.000 0.268 266 T C 0.918 175.659 174.700 0.070 0.000 1.044 266 T CA 2.001 64.144 62.100 0.071 0.000 1.139 266 T CB -0.205 68.706 68.868 0.071 0.000 0.867 266 T HN 1.033 nan 8.240 nan 0.000 0.454 267 T N -0.912 113.675 114.554 0.054 0.000 2.652 267 T HA 0.446 4.796 4.350 0.000 0.000 0.303 267 T C -1.989 172.746 174.700 0.058 0.000 1.738 267 T CA -0.723 61.407 62.100 0.050 0.000 0.969 267 T CB 1.145 70.041 68.868 0.048 0.000 1.778 267 T HN 0.026 nan 8.240 nan 0.000 0.494 268 S N 0.031 115.782 115.700 0.085 0.000 2.599 268 S HA 0.925 5.395 4.470 0.000 0.000 0.287 268 S C -1.396 173.305 174.600 0.167 0.000 1.105 268 S CA -0.676 57.605 58.200 0.136 0.000 0.899 268 S CB 1.903 65.253 63.200 0.251 0.000 1.100 268 S HN 0.892 nan 8.310 nan 0.000 0.482 269 V N 1.863 121.892 119.914 0.192 0.000 3.120 269 V HA 0.662 4.782 4.120 0.000 0.000 0.303 269 V C -2.160 174.072 176.094 0.231 0.000 1.238 269 V CA -0.683 61.749 62.300 0.220 0.000 1.008 269 V CB 1.879 33.778 31.823 0.127 0.000 1.064 269 V HN 0.859 nan 8.190 nan 0.000 0.434 270 F N 5.594 125.620 119.950 0.126 0.000 2.507 270 F HA 0.702 5.229 4.527 0.000 0.000 0.327 270 F C -2.013 173.850 175.800 0.105 0.000 1.068 270 F CA -2.020 56.050 58.000 0.117 0.000 0.965 270 F CB 2.497 41.521 39.000 0.041 0.000 1.192 270 F HN 0.345 nan 8.300 nan 0.000 0.476 271 P HA -0.016 nan 4.420 nan 0.000 0.278 271 P C -1.092 176.342 177.300 0.224 0.000 1.238 271 P CA -0.155 63.075 63.100 0.216 0.000 0.794 271 P CB 0.663 32.461 31.700 0.163 0.000 0.955 272 Y N 4.491 124.851 120.300 0.099 0.000 2.721 272 Y HA 0.071 4.621 4.550 0.000 0.000 0.329 272 Y C 0.235 176.171 175.900 0.059 0.000 1.211 272 Y CA 0.729 58.879 58.100 0.083 0.000 1.512 272 Y CB -0.270 38.243 38.460 0.089 0.000 1.249 272 Y HN 0.503 nan 8.280 nan 0.000 0.549 273 N N 1.576 119.934 118.700 -0.569 0.000 0.000 273 N HA 0.168 4.908 4.740 0.000 0.000 0.000 273 N C -0.008 175.162 175.510 -0.567 0.000 0.000 273 N CA -0.240 52.500 53.050 -0.516 0.000 0.000 273 N CB 0.094 38.365 38.487 -0.361 0.000 0.000 273 N HN 0.564 nan 8.380 nan 0.000 0.000 274 H N -1.803 117.128 119.070 -0.231 0.000 2.457 274 H HA 0.265 4.821 4.556 0.000 0.000 0.294 274 H C 1.065 176.349 175.328 -0.073 0.000 1.064 274 H CA 0.833 56.794 56.048 -0.145 0.000 1.330 274 H CB 0.051 29.767 29.762 -0.076 0.000 1.395 274 H HN 0.279 nan 8.280 nan 0.000 0.541 275 R N 0.532 120.849 120.500 -0.305 0.000 2.115 275 R HA -0.007 4.333 4.340 0.000 0.000 0.230 275 R C 2.095 178.388 176.300 -0.012 0.000 1.111 275 R CA 1.294 57.342 56.100 -0.088 0.000 0.976 275 R CB -0.419 29.788 30.300 -0.156 0.000 0.870 275 R HN 0.499 nan 8.270 nan 0.000 0.445 276 M N 0.324 119.901 119.600 -0.037 0.000 2.156 276 M HA -0.072 4.408 4.480 0.000 0.000 0.264 276 M C 2.321 178.771 176.300 0.250 0.000 1.067 276 M CA 1.368 56.745 55.300 0.129 0.000 1.131 276 M CB -0.299 32.438 32.600 0.229 0.000 1.368 276 M HN -0.012 nan 8.290 nan 0.000 0.416 277 K N 0.703 121.207 120.400 0.173 0.000 2.103 277 K HA -0.179 4.141 4.320 0.000 0.000 0.207 277 K C 1.882 178.596 176.600 0.190 0.000 1.048 277 K CA 1.266 57.697 56.287 0.239 0.000 0.930 277 K CB 0.188 32.777 32.500 0.148 0.000 0.716 277 K HN 0.032 nan 8.250 nan 0.000 0.444 278 K N -0.074 120.420 120.400 0.157 0.000 2.057 278 K HA -0.165 4.155 4.320 0.000 0.000 0.206 278 K C 2.007 178.703 176.600 0.161 0.000 1.050 278 K CA 1.337 57.704 56.287 0.133 0.000 0.935 278 K CB -0.760 31.809 32.500 0.116 0.000 0.715 278 K HN 0.324 nan 8.250 nan 0.000 0.439 279 Y N 1.646 121.993 120.300 0.078 0.000 2.200 279 Y HA -0.126 4.424 4.550 0.000 0.000 0.290 279 Y C 2.055 178.016 175.900 0.103 0.000 1.137 279 Y CA 1.266 59.420 58.100 0.090 0.000 1.163 279 Y CB -0.203 38.300 38.460 0.073 0.000 0.988 279 Y HN -0.106 nan 8.280 nan 0.000 0.518 280 L N -0.831 120.553 121.223 0.268 0.000 2.042 280 L HA -0.304 4.037 4.340 0.000 0.000 0.210 280 L C 2.463 179.366 176.870 0.055 0.000 1.076 280 L CA 1.761 56.699 54.840 0.163 0.000 0.749 280 L CB -0.704 41.496 42.059 0.235 0.000 0.893 280 L HN 0.183 nan 8.230 nan 0.000 0.432 281 S N -0.590 115.149 115.700 0.066 0.000 2.368 281 S HA -0.178 4.292 4.470 0.000 0.000 0.224 281 S C 1.922 176.518 174.600 -0.007 0.000 1.029 281 S CA 1.104 59.326 58.200 0.037 0.000 0.988 281 S CB -0.171 63.060 63.200 0.051 0.000 0.838 281 S HN 0.190 nan 8.310 nan 0.000 0.462 282 K N 2.022 122.401 120.400 -0.034 0.000 2.280 282 K HA -0.042 4.279 4.320 0.000 0.000 0.202 282 K C 1.482 178.065 176.600 -0.029 0.000 1.047 282 K CA 1.410 57.669 56.287 -0.046 0.000 0.942 282 K CB -0.602 31.858 32.500 -0.067 0.000 0.739 282 K HN 0.511 nan 8.250 nan 0.000 0.457 283 T N -3.273 111.186 114.554 -0.158 0.000 3.251 283 T HA 0.335 4.685 4.350 0.000 0.000 0.259 283 T C 0.888 175.506 174.700 -0.136 0.000 0.998 283 T CA -0.042 61.930 62.100 -0.213 0.000 0.905 283 T CB -0.034 68.577 68.868 -0.429 0.000 1.067 283 T HN 0.259 nan 8.240 nan 0.000 0.569 284 G N 2.152 110.923 108.800 -0.048 0.000 2.176 284 G HA2 -0.280 3.680 3.960 0.000 0.000 0.252 284 G HA3 -0.280 3.680 3.960 0.000 0.000 0.252 284 G C 0.324 175.310 174.900 0.143 0.000 1.024 284 G CA -0.092 45.025 45.100 0.029 0.000 0.755 284 G HN 0.616 nan 8.290 nan 0.000 0.507 285 R N -0.565 119.985 120.500 0.084 0.000 2.834 285 R HA 0.534 4.875 4.340 0.000 0.000 0.362 285 R C 1.951 178.291 176.300 0.066 0.000 1.147 285 R CA 0.299 56.451 56.100 0.087 0.000 1.125 285 R CB 0.269 30.627 30.300 0.096 0.000 1.361 285 R HN 0.350 nan 8.270 nan 0.000 0.598 286 A N 1.440 124.293 122.820 0.054 0.000 1.933 286 A HA -0.226 4.094 4.320 0.000 0.000 0.218 286 A C 1.699 179.315 177.584 0.053 0.000 1.175 286 A CA 1.920 53.991 52.037 0.058 0.000 0.628 286 A CB -0.135 18.890 19.000 0.042 0.000 0.814 286 A HN 0.484 nan 8.150 nan 0.000 0.444 287 D N 0.360 120.772 120.400 0.021 0.000 2.178 287 D HA -0.139 4.501 4.640 0.000 0.000 0.202 287 D C 1.747 178.048 176.300 0.002 0.000 0.974 287 D CA 1.177 55.179 54.000 0.004 0.000 0.841 287 D CB -0.623 40.156 40.800 -0.036 0.000 0.953 287 D HN 0.542 nan 8.370 nan 0.000 0.478 288 I N 0.995 121.561 120.570 -0.007 0.000 2.286 288 I HA -0.145 4.025 4.170 0.000 0.000 0.245 288 I C 2.718 178.877 176.117 0.070 0.000 1.104 288 I CA 0.931 62.217 61.300 -0.023 0.000 1.397 288 I CB -0.343 37.631 38.000 -0.044 0.000 1.072 288 I HN 0.012 nan 8.210 nan 0.000 0.417 289 A N 1.333 124.230 122.820 0.127 0.000 1.877 289 A HA -0.227 4.093 4.320 0.000 0.000 0.216 289 A C 2.079 179.790 177.584 0.211 0.000 1.186 289 A CA 1.930 54.097 52.037 0.218 0.000 0.620 289 A CB -0.748 18.402 19.000 0.249 0.000 0.822 289 A HN 0.404 nan 8.150 nan 0.000 0.443 290 N N -0.206 118.585 118.700 0.152 0.000 2.061 290 N HA -0.174 4.566 4.740 0.000 0.000 0.193 290 N C 1.617 177.225 175.510 0.163 0.000 1.030 290 N CA 1.663 54.797 53.050 0.140 0.000 0.856 290 N CB -0.611 37.930 38.487 0.091 0.000 1.023 290 N HN 0.420 nan 8.380 nan 0.000 0.424 291 L N 1.121 122.438 121.223 0.157 0.000 2.046 291 L HA -0.038 4.302 4.340 0.000 0.000 0.208 291 L C 2.116 179.226 176.870 0.400 0.000 1.077 291 L CA 1.620 56.611 54.840 0.251 0.000 0.747 291 L CB -0.835 41.306 42.059 0.135 0.000 0.896 291 L HN 0.139 nan 8.230 nan 0.000 0.432 292 A N -1.093 121.893 122.820 0.277 0.000 1.969 292 A HA -0.191 4.130 4.320 0.000 0.000 0.218 292 A C 1.951 179.596 177.584 0.102 0.000 1.169 292 A CA 1.694 53.764 52.037 0.054 0.000 0.635 292 A CB -0.707 17.991 19.000 -0.503 0.000 0.810 292 A HN 0.518 nan 8.150 nan 0.000 0.445 293 D N -0.107 120.453 120.400 0.266 0.000 2.097 293 D HA -0.129 4.511 4.640 0.000 0.000 0.195 293 D C 1.840 178.257 176.300 0.196 0.000 0.989 293 D CA 1.254 55.444 54.000 0.317 0.000 0.827 293 D CB -0.393 40.559 40.800 0.254 0.000 0.966 293 D HN 0.584 nan 8.370 nan 0.000 0.456 294 E N -0.868 119.440 120.200 0.179 0.000 2.204 294 E HA -0.127 4.223 4.350 0.000 0.000 0.195 294 E C 0.703 177.291 176.600 -0.019 0.000 0.990 294 E CA 0.575 57.018 56.400 0.073 0.000 0.821 294 E CB 0.013 29.773 29.700 0.101 0.000 0.750 294 E HN 0.301 nan 8.360 nan 0.000 0.477 295 F N -0.072 119.907 119.950 0.049 0.000 2.708 295 F HA 0.208 4.735 4.527 0.000 0.000 0.300 295 F C 1.625 177.394 175.800 -0.052 0.000 1.118 295 F CA -0.311 57.690 58.000 0.002 0.000 1.307 295 F CB 0.373 39.302 39.000 -0.118 0.000 0.986 295 F HN -0.218 nan 8.300 nan 0.000 0.522 296 K N 0.582 121.064 120.400 0.138 0.000 2.127 296 K HA -0.231 4.089 4.320 0.000 0.000 0.208 296 K C 1.336 177.972 176.600 0.059 0.000 1.047 296 K CA 1.944 58.327 56.287 0.161 0.000 0.927 296 K CB -0.024 32.602 32.500 0.210 0.000 0.716 296 K HN 0.148 nan 8.250 nan 0.000 0.450 297 D N -0.237 120.128 120.400 -0.058 0.000 2.190 297 D HA -0.164 4.476 4.640 0.000 0.000 0.200 297 D C 1.355 177.481 176.300 -0.290 0.000 0.992 297 D CA 1.426 55.303 54.000 -0.206 0.000 0.854 297 D CB -0.197 40.398 40.800 -0.342 0.000 0.936 297 D HN 0.507 nan 8.370 nan 0.000 0.462 298 H N -1.213 117.892 119.070 0.059 0.000 2.553 298 H HA 0.264 4.820 4.556 0.000 0.000 0.265 298 H C 1.302 176.638 175.328 0.012 0.000 0.964 298 H CA 0.107 56.179 56.048 0.041 0.000 1.156 298 H CB 0.415 30.211 29.762 0.057 0.000 1.411 298 H HN 0.045 nan 8.280 nan 0.000 0.558 299 L N 0.786 122.057 121.223 0.081 0.000 2.808 299 L HA 0.217 4.557 4.340 0.000 0.000 0.246 299 L C -0.135 176.813 176.870 0.130 0.000 1.153 299 L CA -0.344 54.545 54.840 0.082 0.000 0.956 299 L CB 0.613 42.688 42.059 0.028 0.000 1.270 299 L HN 0.078 nan 8.230 nan 0.000 0.528 300 V N -4.293 115.681 119.914 0.100 0.000 3.126 300 V HA 0.703 4.824 4.120 0.000 0.000 0.314 300 V C -2.648 173.485 176.094 0.064 0.000 1.138 300 V CA -2.363 59.995 62.300 0.096 0.000 1.034 300 V CB 1.654 33.528 31.823 0.085 0.000 1.075 300 V HN -0.159 nan 8.190 nan 0.000 0.442 301 P HA 0.236 nan 4.420 nan 0.000 0.274 301 P C -0.972 176.329 177.300 0.002 0.000 1.231 301 P CA 0.033 63.148 63.100 0.026 0.000 0.790 301 P CB 0.562 32.285 31.700 0.037 0.000 0.951 302 D N 2.421 122.809 120.400 -0.020 0.000 2.389 302 D HA 0.172 4.812 4.640 0.000 0.000 0.247 302 D C -1.802 174.476 176.300 -0.036 0.000 1.128 302 D CA -1.163 52.823 54.000 -0.023 0.000 0.884 302 D CB -0.205 40.583 40.800 -0.020 0.000 1.194 302 D HN 0.273 nan 8.370 nan 0.000 0.441 303 P HA 0.097 nan 4.420 nan 0.000 0.268 303 P C 0.734 178.013 177.300 -0.035 0.000 1.204 303 P CA 0.042 63.129 63.100 -0.021 0.000 0.768 303 P CB 0.734 32.431 31.700 -0.006 0.000 0.842 304 G N 1.816 110.589 108.800 -0.044 0.000 2.159 304 G HA2 -0.274 3.686 3.960 0.000 0.000 0.256 304 G HA3 -0.274 3.686 3.960 0.000 0.000 0.256 304 G C 0.360 175.204 174.900 -0.093 0.000 0.977 304 G CA -0.070 45.001 45.100 -0.049 0.000 0.652 304 G HN 0.936 nan 8.290 nan 0.000 0.531 305 C N 0.506 119.707 119.300 -0.166 0.000 2.679 305 C HA 0.583 5.043 4.460 0.000 0.000 0.417 305 C C 0.855 175.607 174.990 -0.397 0.000 1.302 305 C CA -0.735 58.127 59.018 -0.259 0.000 1.973 305 C CB 0.180 27.720 27.740 -0.334 0.000 2.715 305 C HN 0.606 nan 8.230 nan 0.000 0.628 306 H N 2.139 120.966 119.070 -0.404 0.000 2.488 306 H HA 0.387 4.944 4.556 0.000 0.000 0.322 306 H C -1.340 173.738 175.328 -0.417 0.000 1.078 306 H CA -0.292 55.557 56.048 -0.331 0.000 1.260 306 H CB 0.523 30.197 29.762 -0.148 0.000 1.425 306 H HN 0.827 nan 8.280 nan 0.000 0.471 307 Y N 3.718 123.740 120.300 -0.463 0.000 2.323 307 Y HA 0.071 4.621 4.550 0.000 0.000 0.331 307 Y C 1.563 177.110 175.900 -0.589 0.000 1.092 307 Y CA -0.670 57.193 58.100 -0.395 0.000 1.150 307 Y CB 1.191 39.495 38.460 -0.261 0.000 1.200 307 Y HN 0.642 nan 8.280 nan 0.000 0.472 308 D N 1.202 121.501 120.400 -0.168 0.000 2.269 308 D HA -0.117 4.524 4.640 0.000 0.000 0.208 308 D C 0.120 176.387 176.300 -0.055 0.000 0.963 308 D CA 1.296 55.236 54.000 -0.099 0.000 0.864 308 D CB 0.525 41.337 40.800 0.021 0.000 0.936 308 D HN 0.573 nan 8.370 nan 0.000 0.505 309 Q N 0.420 120.191 119.800 -0.047 0.000 2.271 309 Q HA 0.379 4.719 4.340 0.000 0.000 0.268 309 Q C -1.816 174.149 176.000 -0.058 0.000 1.021 309 Q CA -0.428 55.351 55.803 -0.041 0.000 0.802 309 Q CB 2.920 31.637 28.738 -0.035 0.000 1.282 309 Q HN -0.199 nan 8.270 nan 0.000 0.431 310 V N 4.966 124.850 119.914 -0.050 0.000 2.540 310 V HA 0.583 4.703 4.120 0.000 0.000 0.302 310 V C -0.441 175.610 176.094 -0.072 0.000 1.035 310 V CA -0.546 61.714 62.300 -0.067 0.000 0.873 310 V CB 1.789 33.605 31.823 -0.012 0.000 0.992 310 V HN 0.704 nan 8.190 nan 0.000 0.428 311 I N 3.368 123.872 120.570 -0.112 0.000 2.509 311 I HA 0.487 4.657 4.170 0.000 0.000 0.293 311 I C -0.175 175.874 176.117 -0.114 0.000 1.020 311 I CA -0.471 60.771 61.300 -0.096 0.000 1.088 311 I CB 2.254 40.190 38.000 -0.106 0.000 1.267 311 I HN 0.581 nan 8.210 nan 0.000 0.430 312 E N 6.145 126.299 120.200 -0.077 0.000 2.158 312 E HA 0.486 4.836 4.350 0.000 0.000 0.271 312 E C -1.207 175.361 176.600 -0.053 0.000 0.911 312 E CA -0.725 55.628 56.400 -0.078 0.000 0.767 312 E CB 2.309 31.978 29.700 -0.051 0.000 1.120 312 E HN 0.250 nan 8.360 nan 0.000 0.405 313 I N 3.140 123.677 120.570 -0.055 0.000 2.410 313 I HA 0.156 4.326 4.170 0.000 0.000 0.286 313 I C -0.111 175.996 176.117 -0.017 0.000 1.009 313 I CA -0.922 60.363 61.300 -0.025 0.000 1.111 313 I CB 1.195 39.188 38.000 -0.012 0.000 1.262 313 I HN 0.386 nan 8.210 nan 0.000 0.443 314 N N 6.965 125.662 118.700 -0.005 0.000 2.415 314 N HA 0.199 4.939 4.740 0.000 0.000 0.250 314 N C 1.006 176.522 175.510 0.011 0.000 1.127 314 N CA -0.067 52.985 53.050 0.003 0.000 0.945 314 N CB 0.807 39.299 38.487 0.008 0.000 1.196 314 N HN 0.554 nan 8.380 nan 0.000 0.499 315 L N 1.916 123.146 121.223 0.011 0.000 2.043 315 L HA -0.214 4.126 4.340 0.000 0.000 0.212 315 L C 2.029 178.913 176.870 0.022 0.000 1.075 315 L CA 1.022 55.872 54.840 0.017 0.000 0.752 315 L CB -0.420 41.648 42.059 0.017 0.000 0.891 315 L HN 0.466 nan 8.230 nan 0.000 0.432 316 S N -0.565 115.147 115.700 0.020 0.000 2.419 316 S HA -0.185 4.285 4.470 0.000 0.000 0.235 316 S C 1.624 176.241 174.600 0.027 0.000 1.019 316 S CA 1.317 59.530 58.200 0.022 0.000 0.982 316 S CB -0.155 63.056 63.200 0.018 0.000 0.789 316 S HN 0.500 nan 8.310 nan 0.000 0.490 317 E N -0.075 120.142 120.200 0.029 0.000 2.481 317 E HA 0.193 4.543 4.350 0.000 0.000 0.198 317 E C -0.130 176.499 176.600 0.048 0.000 1.027 317 E CA -0.298 56.123 56.400 0.034 0.000 0.900 317 E CB 0.269 29.987 29.700 0.029 0.000 0.993 317 E HN 0.238 nan 8.360 nan 0.000 0.482 318 L N 1.843 123.097 121.223 0.051 0.000 2.416 318 L HA 0.112 4.453 4.340 0.000 0.000 0.272 318 L C -0.314 176.612 176.870 0.093 0.000 1.161 318 L CA 0.540 55.425 54.840 0.075 0.000 0.845 318 L CB 0.348 42.436 42.059 0.048 0.000 1.119 318 L HN -0.275 nan 8.230 nan 0.000 0.464 319 K N 4.295 124.775 120.400 0.134 0.000 2.409 319 K HA 0.581 4.901 4.320 0.000 0.000 0.252 319 K C -2.603 174.095 176.600 0.163 0.000 1.036 319 K CA -2.149 54.203 56.287 0.108 0.000 0.871 319 K CB 1.378 33.908 32.500 0.050 0.000 1.374 319 K HN 0.275 nan 8.250 nan 0.000 0.459 320 P HA 0.084 nan 4.420 nan 0.000 0.266 320 P C -0.879 176.478 177.300 0.095 0.000 1.195 320 P CA 0.423 63.591 63.100 0.113 0.000 0.768 320 P CB 0.343 32.061 31.700 0.029 0.000 0.838 321 H N 0.944 120.027 119.070 0.022 0.000 2.771 321 H HA 0.771 5.327 4.556 0.000 0.000 0.367 321 H C -0.610 174.747 175.328 0.048 0.000 1.172 321 H CA -0.655 55.414 56.048 0.035 0.000 1.186 321 H CB 1.456 31.235 29.762 0.029 0.000 1.790 321 H HN 0.254 nan 8.280 nan 0.000 0.556 322 I N 1.782 122.461 120.570 0.182 0.000 2.627 322 I HA 0.322 4.492 4.170 0.000 0.000 0.288 322 I C -1.627 174.645 176.117 0.258 0.000 1.202 322 I CA -0.543 60.875 61.300 0.197 0.000 1.050 322 I CB 1.089 39.182 38.000 0.154 0.000 1.264 322 I HN 0.531 nan 8.210 nan 0.000 0.429 323 N N 4.765 123.573 118.700 0.180 0.000 2.314 323 N HA 0.961 5.701 4.740 0.000 0.000 0.304 323 N C -0.384 175.090 175.510 -0.060 0.000 1.073 323 N CA 0.001 53.081 53.050 0.049 0.000 0.822 323 N CB 2.160 40.642 38.487 -0.008 0.000 1.280 323 N HN 1.020 nan 8.380 nan 0.000 0.489 324 G N 0.664 109.326 108.800 -0.230 0.000 2.347 324 G HA2 0.018 3.978 3.960 0.000 0.000 0.477 324 G HA3 0.018 3.978 3.960 0.000 0.000 0.477 324 G C -2.704 171.651 174.900 -0.907 0.000 1.349 324 G CA -0.687 44.012 45.100 -0.668 0.000 1.000 324 G HN 0.399 nan 8.290 nan 0.000 0.605 325 P HA 0.325 nan 4.420 nan 0.000 0.277 325 P C 0.570 177.182 177.300 -1.146 0.000 1.260 325 P CA 0.444 62.566 63.100 -1.631 0.000 0.878 325 P CB 0.364 30.963 31.700 -1.835 0.000 1.319 326 F N -0.059 119.668 119.950 -0.372 0.000 2.798 326 F HA 0.260 4.787 4.527 0.000 0.000 0.328 326 F C 0.351 176.165 175.800 0.023 0.000 1.098 326 F CA 0.142 58.050 58.000 -0.155 0.000 1.172 326 F CB 0.501 39.439 39.000 -0.104 0.000 1.072 326 F HN -0.262 nan 8.300 nan 0.000 0.555 327 T N -0.908 113.698 114.554 0.088 0.000 2.912 327 T HA 0.245 4.595 4.350 0.000 0.000 0.299 327 T C -2.116 172.599 174.700 0.024 0.000 1.052 327 T CA -1.739 60.457 62.100 0.160 0.000 0.996 327 T CB 2.361 71.308 68.868 0.131 0.000 1.070 327 T HN -0.295 nan 8.240 nan 0.000 0.465 328 P HA -0.058 nan 4.420 nan 0.000 0.228 328 P C 0.457 177.757 177.300 -0.000 0.000 1.151 328 P CA 0.997 64.088 63.100 -0.015 0.000 0.770 328 P CB 0.110 31.799 31.700 -0.018 0.000 0.786 329 D N -1.310 119.106 120.400 0.025 0.000 2.349 329 D HA -0.003 4.637 4.640 0.000 0.000 0.214 329 D C 0.632 176.928 176.300 -0.007 0.000 1.063 329 D CA -0.340 53.670 54.000 0.017 0.000 0.847 329 D CB -0.777 40.047 40.800 0.041 0.000 0.933 329 D HN 0.055 nan 8.370 nan 0.000 0.513 330 L N 1.805 123.006 121.223 -0.036 0.000 2.401 330 L HA 0.515 4.856 4.340 0.000 0.000 0.283 330 L C -0.395 176.304 176.870 -0.286 0.000 1.151 330 L CA -0.941 53.848 54.840 -0.084 0.000 0.942 330 L CB -0.521 41.530 42.059 -0.013 0.000 1.283 330 L HN 0.108 nan 8.230 nan 0.000 0.442 331 A N 5.085 127.770 122.820 -0.225 0.000 2.301 331 A HA 0.614 4.934 4.320 0.000 0.000 0.298 331 A C -0.684 176.712 177.584 -0.313 0.000 1.185 331 A CA -0.425 51.507 52.037 -0.175 0.000 0.830 331 A CB 0.160 19.208 19.000 0.079 0.000 1.112 331 A HN 0.748 nan 8.150 nan 0.000 0.508 332 H N 1.850 121.010 119.070 0.149 0.000 2.600 332 H HA 0.386 4.942 4.556 0.000 0.000 0.357 332 H C -2.820 172.395 175.328 -0.188 0.000 1.106 332 H CA -2.130 53.943 56.048 0.042 0.000 1.193 332 H CB 1.445 31.281 29.762 0.123 0.000 1.594 332 H HN 0.381 nan 8.280 nan 0.000 0.526 333 P HA -0.057 nan 4.420 nan 0.000 0.268 333 P C 1.283 178.501 177.300 -0.138 0.000 1.205 333 P CA -0.082 62.799 63.100 -0.365 0.000 0.771 333 P CB 1.185 32.722 31.700 -0.272 0.000 0.858 334 V N 2.901 122.732 119.914 -0.139 0.000 2.392 334 V HA -0.313 3.808 4.120 0.000 0.000 0.249 334 V C 2.282 178.287 176.094 -0.148 0.000 1.059 334 V CA 2.706 64.933 62.300 -0.121 0.000 1.051 334 V CB -1.446 30.285 31.823 -0.153 0.000 0.658 334 V HN 0.687 nan 8.190 nan 0.000 0.455 335 A N -0.078 122.648 122.820 -0.158 0.000 1.873 335 A HA -0.267 4.053 4.320 0.000 0.000 0.218 335 A C 2.033 179.560 177.584 -0.096 0.000 1.193 335 A CA 2.189 54.140 52.037 -0.143 0.000 0.629 335 A CB -0.493 18.431 19.000 -0.125 0.000 0.826 335 A HN 0.562 nan 8.150 nan 0.000 0.447 336 E N -0.840 119.320 120.200 -0.067 0.000 2.502 336 E HA 0.066 4.417 4.350 0.000 0.000 0.194 336 E C 1.508 178.080 176.600 -0.046 0.000 1.062 336 E CA 0.415 56.791 56.400 -0.041 0.000 0.867 336 E CB -0.022 29.673 29.700 -0.008 0.000 0.888 336 E HN 0.319 nan 8.360 nan 0.000 0.510 337 V N -0.074 119.806 119.914 -0.056 0.000 2.626 337 V HA -0.106 4.014 4.120 0.000 0.000 0.252 337 V C 1.774 177.807 176.094 -0.102 0.000 1.067 337 V CA 1.955 64.201 62.300 -0.091 0.000 1.081 337 V CB -0.438 31.332 31.823 -0.088 0.000 0.686 337 V HN 0.397 nan 8.190 nan 0.000 0.468 338 G N 0.050 108.799 108.800 -0.085 0.000 2.552 338 G HA2 -0.282 3.678 3.960 0.000 0.000 0.216 338 G HA3 -0.282 3.678 3.960 0.000 0.000 0.216 338 G C 1.761 176.626 174.900 -0.059 0.000 1.240 338 G CA 1.240 46.302 45.100 -0.062 0.000 0.796 338 G HN 0.593 nan 8.290 nan 0.000 0.568 339 S N 0.596 116.263 115.700 -0.055 0.000 2.392 339 S HA -0.219 4.251 4.470 0.000 0.000 0.232 339 S C 2.473 177.019 174.600 -0.090 0.000 1.041 339 S CA 1.958 60.122 58.200 -0.059 0.000 1.026 339 S CB -0.792 62.381 63.200 -0.046 0.000 0.845 339 S HN 0.786 nan 8.310 nan 0.000 0.465 340 V N -0.678 119.170 119.914 -0.109 0.000 3.129 340 V HA 0.358 4.478 4.120 0.000 0.000 0.259 340 V C 2.132 178.028 176.094 -0.330 0.000 1.116 340 V CA 0.860 63.049 62.300 -0.185 0.000 1.127 340 V CB -1.007 30.720 31.823 -0.160 0.000 0.742 340 V HN 0.426 nan 8.190 nan 0.000 0.474 341 A N 0.648 123.368 122.820 -0.168 0.000 1.903 341 A HA -0.020 4.300 4.320 0.000 0.000 0.213 341 A C 2.061 179.553 177.584 -0.152 0.000 1.185 341 A CA 1.305 53.298 52.037 -0.073 0.000 0.628 341 A CB -0.458 18.620 19.000 0.130 0.000 0.830 341 A HN 0.587 nan 8.150 nan 0.000 0.446 342 E N 0.441 120.579 120.200 -0.104 0.000 2.035 342 E HA -0.249 4.101 4.350 0.000 0.000 0.204 342 E C 2.041 178.561 176.600 -0.133 0.000 1.025 342 E CA 1.807 58.154 56.400 -0.087 0.000 0.835 342 E CB -0.235 29.426 29.700 -0.064 0.000 0.764 342 E HN 0.537 nan 8.360 nan 0.000 0.457 343 K N 0.467 120.767 120.400 -0.166 0.000 2.032 343 K HA -0.203 4.117 4.320 0.000 0.000 0.209 343 K C 2.145 178.596 176.600 -0.249 0.000 1.048 343 K CA 1.396 57.578 56.287 -0.175 0.000 0.927 343 K CB -0.140 32.261 32.500 -0.164 0.000 0.712 343 K HN -0.016 nan 8.250 nan 0.000 0.441 344 E N -0.653 119.271 120.200 -0.460 0.000 2.435 344 E HA 0.017 4.367 4.350 0.000 0.000 0.195 344 E C 0.346 176.657 176.600 -0.481 0.000 1.029 344 E CA 0.507 56.541 56.400 -0.610 0.000 0.865 344 E CB 0.488 29.445 29.700 -1.239 0.000 0.833 344 E HN 0.484 nan 8.360 nan 0.000 0.510 345 G N 0.391 109.006 108.800 -0.308 0.000 2.203 345 G HA2 -0.175 3.785 3.960 0.000 0.000 0.231 345 G HA3 -0.175 3.785 3.960 0.000 0.000 0.231 345 G C -0.689 174.318 174.900 0.178 0.000 1.058 345 G CA -0.094 44.973 45.100 -0.055 0.000 0.781 345 G HN 0.008 nan 8.290 nan 0.000 0.496 346 W N -0.534 120.859 121.300 0.155 0.000 2.520 346 W HA 0.548 5.208 4.660 0.000 0.000 0.323 346 W C -2.112 174.412 176.519 0.008 0.000 1.062 346 W CA -3.463 53.993 57.345 0.186 0.000 1.215 346 W CB 0.484 30.201 29.460 0.428 0.000 1.340 346 W HN 0.007 nan 8.180 nan 0.000 0.516 347 P HA -0.039 nan 4.420 nan 0.000 0.261 347 P C 0.960 178.289 177.300 0.047 0.000 1.173 347 P CA 0.545 63.670 63.100 0.041 0.000 0.760 347 P CB 0.730 32.420 31.700 -0.018 0.000 0.783 348 L N 1.803 123.039 121.223 0.021 0.000 2.446 348 L HA -0.007 4.333 4.340 0.000 0.000 0.219 348 L C 0.494 177.359 176.870 -0.008 0.000 1.116 348 L CA 0.399 55.236 54.840 -0.005 0.000 0.844 348 L CB -0.568 41.492 42.059 0.001 0.000 0.970 348 L HN 0.438 nan 8.230 nan 0.000 0.457 349 D N 0.683 121.085 120.400 0.004 0.000 2.383 349 D HA 0.201 4.841 4.640 0.000 0.000 0.252 349 D C -0.221 176.085 176.300 0.011 0.000 1.166 349 D CA 0.023 54.027 54.000 0.007 0.000 0.879 349 D CB 0.580 41.388 40.800 0.012 0.000 1.164 349 D HN 0.055 nan 8.370 nan 0.000 0.462 350 I N 2.996 123.571 120.570 0.007 0.000 2.291 350 I HA 0.169 4.339 4.170 0.000 0.000 0.290 350 I C 1.426 177.568 176.117 0.041 0.000 1.050 350 I CA -0.971 60.342 61.300 0.021 0.000 1.245 350 I CB 1.047 39.048 38.000 0.002 0.000 1.405 350 I HN 0.282 nan 8.210 nan 0.000 0.478 351 R N 4.286 124.825 120.500 0.064 0.000 2.070 351 R HA 0.027 4.367 4.340 0.000 0.000 0.233 351 R C 0.244 176.613 176.300 0.115 0.000 1.137 351 R CA 1.121 57.271 56.100 0.083 0.000 0.945 351 R CB -0.325 30.033 30.300 0.096 0.000 0.845 351 R HN 0.433 nan 8.270 nan 0.000 0.430 352 V N -0.811 119.191 119.914 0.146 0.000 2.760 352 V HA 0.575 4.695 4.120 0.000 0.000 0.309 352 V C -0.020 176.147 176.094 0.123 0.000 1.077 352 V CA -1.069 61.335 62.300 0.174 0.000 0.910 352 V CB 1.987 33.981 31.823 0.284 0.000 1.008 352 V HN 0.325 nan 8.190 nan 0.000 0.424 353 G N 3.231 112.119 108.800 0.146 0.000 2.372 353 G HA2 0.702 4.662 3.960 0.000 0.000 0.323 353 G HA3 0.702 4.662 3.960 0.000 0.000 0.323 353 G C -1.310 173.652 174.900 0.103 0.000 1.152 353 G CA -0.486 44.695 45.100 0.135 0.000 0.906 353 G HN 0.529 nan 8.290 nan 0.000 0.460 354 L N 3.730 124.890 121.223 -0.105 0.000 2.345 354 L HA 0.441 4.781 4.340 0.000 0.000 0.274 354 L C 0.516 177.233 176.870 -0.255 0.000 0.999 354 L CA -0.616 54.073 54.840 -0.251 0.000 0.849 354 L CB 1.416 43.211 42.059 -0.439 0.000 1.220 354 L HN 0.644 nan 8.230 nan 0.000 0.422 355 I N -0.283 120.193 120.570 -0.156 0.000 2.934 355 I HA 1.015 5.185 4.170 0.000 0.000 0.315 355 I C 0.838 176.958 176.117 0.005 0.000 0.997 355 I CA -0.115 61.145 61.300 -0.067 0.000 1.184 355 I CB 1.513 39.501 38.000 -0.019 0.000 1.400 355 I HN 0.676 nan 8.210 nan 0.000 0.549 356 G N 2.112 110.949 108.800 0.063 0.000 2.445 356 G HA2 -0.162 3.798 3.960 0.000 0.000 0.212 356 G HA3 -0.162 3.798 3.960 0.000 0.000 0.212 356 G C -0.130 174.845 174.900 0.125 0.000 1.217 356 G CA -0.339 44.802 45.100 0.068 0.000 1.002 356 G HN 1.337 nan 8.290 nan 0.000 0.574 357 S N -1.168 114.505 115.700 -0.046 0.000 4.026 357 S HA -0.055 4.416 4.470 0.000 0.000 0.305 357 S C 2.212 176.684 174.600 -0.214 0.000 0.787 357 S CA 1.861 59.915 58.200 -0.244 0.000 1.314 357 S CB -1.389 61.428 63.200 -0.637 0.000 1.849 357 S HN 2.811 nan 8.310 nan 0.000 0.444 358 C N 2.244 121.455 119.300 -0.147 0.000 5.885 358 C HA -0.376 4.084 4.460 0.000 0.000 0.328 358 C C 2.156 177.094 174.990 -0.087 0.000 2.433 358 C CA 2.547 61.506 59.018 -0.097 0.000 2.197 358 C CB -2.354 25.340 27.740 -0.078 0.000 3.236 358 C HN 1.001 nan 8.230 nan 0.000 0.260 359 T N -0.119 114.361 114.554 -0.122 0.000 2.867 359 T HA -0.016 4.334 4.350 0.000 0.000 0.268 359 T C 0.852 175.517 174.700 -0.058 0.000 1.057 359 T CA 2.078 64.113 62.100 -0.107 0.000 1.136 359 T CB -0.445 68.354 68.868 -0.115 0.000 0.874 359 T HN 0.868 nan 8.240 nan 0.000 0.466 360 N N 0.582 119.266 118.700 -0.027 0.000 2.687 360 N HA 0.213 4.953 4.740 0.000 0.000 0.275 360 N C -0.188 175.323 175.510 0.001 0.000 1.789 360 N CA -0.205 52.840 53.050 -0.009 0.000 0.806 360 N CB 1.082 39.574 38.487 0.009 0.000 1.256 360 N HN 0.148 nan 8.380 nan 0.000 0.500 361 S N -1.840 113.857 115.700 -0.006 0.000 2.952 361 S HA 0.140 4.610 4.470 0.000 0.000 0.251 361 S C 0.600 175.221 174.600 0.035 0.000 1.021 361 S CA -0.637 57.564 58.200 0.002 0.000 1.067 361 S CB -0.135 63.050 63.200 -0.025 0.000 1.002 361 S HN 0.250 nan 8.310 nan 0.000 0.574 362 S N 0.852 116.586 115.700 0.057 0.000 2.633 362 S HA 0.323 4.793 4.470 0.000 0.000 0.257 362 S C 0.751 175.479 174.600 0.214 0.000 1.265 362 S CA -0.420 57.861 58.200 0.135 0.000 0.980 362 S CB -0.109 63.164 63.200 0.123 0.000 1.017 362 S HN 0.349 nan 8.310 nan 0.000 0.577 363 Y N 0.014 120.429 120.300 0.192 0.000 2.439 363 Y HA 0.076 4.626 4.550 0.000 0.000 0.292 363 Y C 2.403 178.400 175.900 0.161 0.000 1.130 363 Y CA 1.683 59.918 58.100 0.225 0.000 1.254 363 Y CB -0.153 38.464 38.460 0.262 0.000 1.000 363 Y HN 0.923 nan 8.280 nan 0.000 0.554 364 E N -0.322 120.015 120.200 0.228 0.000 2.076 364 E HA -0.163 4.187 4.350 0.000 0.000 0.190 364 E C 1.543 178.122 176.600 -0.035 0.000 0.979 364 E CA 1.142 57.591 56.400 0.082 0.000 0.807 364 E CB 0.005 29.756 29.700 0.084 0.000 0.761 364 E HN 0.443 nan 8.360 nan 0.000 0.454 365 D N 0.290 120.685 120.400 -0.008 0.000 2.149 365 D HA -0.176 4.464 4.640 0.000 0.000 0.198 365 D C 1.863 178.113 176.300 -0.083 0.000 0.990 365 D CA 1.009 54.987 54.000 -0.036 0.000 0.839 365 D CB -0.018 40.779 40.800 -0.006 0.000 0.948 365 D HN 0.271 nan 8.370 nan 0.000 0.460 366 M N 0.138 119.683 119.600 -0.091 0.000 2.156 366 M HA 0.019 4.499 4.480 0.000 0.000 0.264 366 M C 2.408 178.439 176.300 -0.447 0.000 1.067 366 M CA 0.897 56.109 55.300 -0.146 0.000 1.131 366 M CB -1.396 31.198 32.600 -0.011 0.000 1.368 366 M HN -0.020 nan 8.290 nan 0.000 0.416 367 G N 0.493 108.885 108.800 -0.679 0.000 2.418 367 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 367 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 367 G C 1.800 176.328 174.900 -0.619 0.000 1.158 367 G CA 0.351 44.756 45.100 -1.158 0.000 0.771 367 G HN 0.327 nan 8.290 nan 0.000 0.545 368 R N 0.690 120.981 120.500 -0.348 0.000 2.075 368 R HA 0.029 4.369 4.340 0.000 0.000 0.232 368 R C 2.862 179.042 176.300 -0.199 0.000 1.126 368 R CA 1.222 57.174 56.100 -0.246 0.000 0.963 368 R CB -0.932 29.267 30.300 -0.169 0.000 0.858 368 R HN 0.302 nan 8.270 nan 0.000 0.435 369 S N 1.217 116.828 115.700 -0.147 0.000 2.368 369 S HA -0.094 4.377 4.470 0.000 0.000 0.225 369 S C 2.041 176.600 174.600 -0.069 0.000 1.030 369 S CA 1.313 59.486 58.200 -0.045 0.000 0.999 369 S CB -0.114 63.105 63.200 0.032 0.000 0.844 369 S HN 0.480 nan 8.310 nan 0.000 0.459 370 A N 1.059 123.764 122.820 -0.192 0.000 2.016 370 A HA 0.352 4.672 4.320 0.000 0.000 0.217 370 A C 2.234 179.722 177.584 -0.160 0.000 1.162 370 A CA 1.227 53.167 52.037 -0.162 0.000 0.662 370 A CB -0.707 18.133 19.000 -0.267 0.000 0.812 370 A HN 0.479 nan 8.150 nan 0.000 0.450 371 A N -0.445 122.243 122.820 -0.220 0.000 2.015 371 A HA 0.073 4.394 4.320 0.000 0.000 0.219 371 A C 2.129 179.639 177.584 -0.123 0.000 1.163 371 A CA 1.670 53.600 52.037 -0.177 0.000 0.646 371 A CB -0.569 18.298 19.000 -0.222 0.000 0.806 371 A HN 0.321 nan 8.150 nan 0.000 0.448 372 V N -0.391 119.464 119.914 -0.099 0.000 2.302 372 V HA -0.140 3.980 4.120 0.000 0.000 0.243 372 V C 3.045 179.138 176.094 -0.001 0.000 1.036 372 V CA 1.667 63.956 62.300 -0.017 0.000 1.020 372 V CB -1.255 30.605 31.823 0.061 0.000 0.657 372 V HN 0.564 nan 8.190 nan 0.000 0.453 373 A N 0.070 122.881 122.820 -0.016 0.000 1.908 373 A HA -0.293 4.028 4.320 0.000 0.000 0.218 373 A C 2.348 179.929 177.584 -0.006 0.000 1.181 373 A CA 2.291 54.321 52.037 -0.013 0.000 0.627 373 A CB -0.584 18.432 19.000 0.027 0.000 0.818 373 A HN 0.474 nan 8.150 nan 0.000 0.445 374 K N -0.215 120.176 120.400 -0.015 0.000 2.103 374 K HA -0.231 4.089 4.320 0.000 0.000 0.207 374 K C 2.081 178.670 176.600 -0.019 0.000 1.048 374 K CA 1.910 58.187 56.287 -0.017 0.000 0.930 374 K CB -0.248 32.235 32.500 -0.029 0.000 0.716 374 K HN 0.714 nan 8.250 nan 0.000 0.444 375 Q N -0.229 119.568 119.800 -0.005 0.000 2.079 375 Q HA -0.084 4.256 4.340 0.000 0.000 0.200 375 Q C 2.186 178.235 176.000 0.082 0.000 0.974 375 Q CA 1.380 57.200 55.803 0.028 0.000 0.840 375 Q CB -0.166 28.607 28.738 0.058 0.000 0.898 375 Q HN 0.397 nan 8.270 nan 0.000 0.430 376 A N 0.876 123.732 122.820 0.061 0.000 1.902 376 A HA -0.176 4.144 4.320 0.000 0.000 0.217 376 A C 2.031 179.649 177.584 0.057 0.000 1.181 376 A CA 1.101 53.177 52.037 0.064 0.000 0.623 376 A CB -0.550 18.450 19.000 -0.000 0.000 0.818 376 A HN 0.263 nan 8.150 nan 0.000 0.443 377 L N -0.368 120.864 121.223 0.016 0.000 2.083 377 L HA -0.073 4.267 4.340 0.000 0.000 0.209 377 L C 2.712 179.561 176.870 -0.035 0.000 1.083 377 L CA 1.761 56.601 54.840 -0.001 0.000 0.752 377 L CB -0.764 41.293 42.059 -0.004 0.000 0.899 377 L HN 0.385 nan 8.230 nan 0.000 0.433 378 A N -2.351 120.409 122.820 -0.100 0.000 2.248 378 A HA -0.136 4.185 4.320 0.000 0.000 0.210 378 A C 1.158 178.500 177.584 -0.403 0.000 1.174 378 A CA 0.969 52.865 52.037 -0.234 0.000 0.750 378 A CB -0.918 17.900 19.000 -0.303 0.000 0.780 378 A HN 0.663 nan 8.150 nan 0.000 0.478 379 H N -1.911 117.159 119.070 -0.001 0.000 2.567 379 H HA 0.378 4.935 4.556 0.000 0.000 0.267 379 H C 1.294 176.622 175.328 0.001 0.000 1.148 379 H CA 0.128 56.178 56.048 0.003 0.000 1.031 379 H CB 0.447 30.212 29.762 0.005 0.000 1.691 379 H HN 0.458 nan 8.280 nan 0.000 0.588 380 G N 1.396 110.229 108.800 0.056 0.000 2.283 380 G HA2 -0.310 3.650 3.960 0.000 0.000 0.280 380 G HA3 -0.310 3.650 3.960 0.000 0.000 0.280 380 G C -0.133 174.790 174.900 0.038 0.000 1.029 380 G CA 0.275 45.397 45.100 0.037 0.000 0.840 380 G HN 0.332 nan 8.290 nan 0.000 0.505 381 L N -1.251 119.998 121.223 0.042 0.000 2.331 381 L HA 0.798 5.138 4.340 0.000 0.000 0.275 381 L C 0.322 177.192 176.870 0.000 0.000 1.022 381 L CA -1.010 53.841 54.840 0.018 0.000 0.812 381 L CB 1.756 43.823 42.059 0.014 0.000 1.257 381 L HN 0.047 nan 8.230 nan 0.000 0.435 382 K N 0.253 120.644 120.400 -0.013 0.000 2.395 382 K HA 0.479 4.799 4.320 0.000 0.000 0.245 382 K C -1.285 175.284 176.600 -0.052 0.000 1.017 382 K CA -0.413 55.862 56.287 -0.020 0.000 0.852 382 K CB 1.603 34.104 32.500 0.002 0.000 1.311 382 K HN 0.421 nan 8.250 nan 0.000 0.452 383 C N 2.468 121.727 119.300 -0.068 0.000 2.642 383 C HA 0.093 4.553 4.460 0.000 0.000 0.420 383 C C 1.303 176.257 174.990 -0.060 0.000 1.349 383 C CA -0.183 58.769 59.018 -0.109 0.000 1.821 383 C CB -0.165 27.494 27.740 -0.135 0.000 2.637 383 C HN 0.607 nan 8.230 nan 0.000 0.605 384 K N 1.384 121.738 120.400 -0.076 0.000 2.243 384 K HA 0.062 4.382 4.320 0.000 0.000 0.201 384 K C 0.910 177.498 176.600 -0.021 0.000 1.051 384 K CA 0.560 56.821 56.287 -0.044 0.000 0.970 384 K CB -0.266 32.201 32.500 -0.056 0.000 0.755 384 K HN 0.636 nan 8.250 nan 0.000 0.465 385 S N 1.265 116.948 115.700 -0.029 0.000 2.646 385 S HA 0.244 4.714 4.470 0.000 0.000 0.276 385 S C 0.067 174.704 174.600 0.062 0.000 1.222 385 S CA -0.733 57.477 58.200 0.017 0.000 1.014 385 S CB 1.390 64.600 63.200 0.017 0.000 0.991 385 S HN 0.097 nan 8.310 nan 0.000 0.533 386 Q N 0.458 120.324 119.800 0.109 0.000 2.395 386 Q HA 0.272 4.612 4.340 0.000 0.000 0.271 386 Q C -1.312 174.841 176.000 0.254 0.000 1.026 386 Q CA 0.461 56.360 55.803 0.159 0.000 0.900 386 Q CB 0.370 29.205 28.738 0.161 0.000 1.266 386 Q HN 0.520 nan 8.270 nan 0.000 0.430 387 F N 1.452 121.415 119.950 0.021 0.000 2.557 387 F HA 0.366 4.894 4.527 0.000 0.000 0.316 387 F C -0.756 175.035 175.800 -0.014 0.000 1.141 387 F CA -0.628 57.369 58.000 -0.005 0.000 0.922 387 F CB 1.625 40.622 39.000 -0.005 0.000 1.194 387 F HN 0.476 nan 8.300 nan 0.000 0.443 388 T N 3.836 118.192 114.554 -0.330 0.000 2.887 388 T HA 0.846 5.197 4.350 0.000 0.000 0.288 388 T C -0.928 173.457 174.700 -0.524 0.000 1.021 388 T CA -0.637 61.243 62.100 -0.367 0.000 1.000 388 T CB 1.844 70.558 68.868 -0.258 0.000 1.034 388 T HN 0.397 nan 8.240 nan 0.000 0.467 389 I N 1.876 122.209 120.570 -0.395 0.000 2.466 389 I HA 0.386 4.556 4.170 0.000 0.000 0.289 389 I C -0.024 175.986 176.117 -0.179 0.000 1.026 389 I CA -0.457 60.650 61.300 -0.322 0.000 1.078 389 I CB 2.508 40.321 38.000 -0.312 0.000 1.249 389 I HN 0.715 nan 8.210 nan 0.000 0.429 390 T N 7.308 121.788 114.554 -0.123 0.000 2.743 390 T HA 0.420 4.771 4.350 0.000 0.000 0.292 390 T C -2.541 172.117 174.700 -0.071 0.000 0.972 390 T CA -1.325 60.716 62.100 -0.099 0.000 0.967 390 T CB 1.069 69.871 68.868 -0.110 0.000 0.926 390 T HN 0.180 nan 8.240 nan 0.000 0.459 391 P HA 0.222 nan 4.420 nan 0.000 0.275 391 P C 1.096 178.374 177.300 -0.037 0.000 1.227 391 P CA -0.271 62.816 63.100 -0.021 0.000 0.781 391 P CB 0.628 32.328 31.700 0.001 0.000 0.906 392 G N 1.666 110.449 108.800 -0.027 0.000 2.443 392 G HA2 -0.015 3.946 3.960 0.000 0.000 0.219 392 G HA3 -0.015 3.946 3.960 0.000 0.000 0.219 392 G C 0.169 175.024 174.900 -0.076 0.000 1.131 392 G CA 0.598 45.664 45.100 -0.056 0.000 0.775 392 G HN 0.659 nan 8.290 nan 0.000 0.547 393 S N -1.871 113.796 115.700 -0.055 0.000 2.588 393 S HA 0.428 4.898 4.470 0.000 0.000 0.269 393 S C 0.308 174.888 174.600 -0.032 0.000 1.157 393 S CA -0.089 58.068 58.200 -0.072 0.000 0.824 393 S CB 1.999 65.129 63.200 -0.116 0.000 1.126 393 S HN -0.039 nan 8.310 nan 0.000 0.464 394 E N 1.084 121.272 120.200 -0.021 0.000 2.085 394 E HA -0.224 4.126 4.350 0.000 0.000 0.194 394 E C 1.905 178.513 176.600 0.014 0.000 0.994 394 E CA 2.283 58.688 56.400 0.007 0.000 0.801 394 E CB -0.373 29.345 29.700 0.029 0.000 0.743 394 E HN 0.717 nan 8.360 nan 0.000 0.453 395 Q N -0.175 119.618 119.800 -0.012 0.000 2.077 395 Q HA -0.180 4.160 4.340 0.000 0.000 0.206 395 Q C 2.259 178.298 176.000 0.065 0.000 0.989 395 Q CA 2.256 58.047 55.803 -0.019 0.000 0.853 395 Q CB -0.242 28.395 28.738 -0.169 0.000 0.907 395 Q HN 0.464 nan 8.270 nan 0.000 0.418 396 I N -0.045 120.563 120.570 0.064 0.000 2.252 396 I HA -0.267 3.904 4.170 0.000 0.000 0.245 396 I C 2.764 178.974 176.117 0.154 0.000 1.102 396 I CA 0.990 62.400 61.300 0.184 0.000 1.385 396 I CB -0.373 37.715 38.000 0.147 0.000 1.064 396 I HN 0.246 nan 8.210 nan 0.000 0.414 397 R N 1.303 121.851 120.500 0.081 0.000 2.097 397 R HA -0.241 4.099 4.340 0.000 0.000 0.236 397 R C 2.398 178.738 176.300 0.067 0.000 1.135 397 R CA 2.087 58.223 56.100 0.059 0.000 0.934 397 R CB -0.460 29.857 30.300 0.028 0.000 0.846 397 R HN 0.356 nan 8.270 nan 0.000 0.431 398 A N -0.093 122.765 122.820 0.063 0.000 1.917 398 A HA -0.183 4.138 4.320 0.000 0.000 0.219 398 A C 2.196 179.826 177.584 0.077 0.000 1.182 398 A CA 2.330 54.402 52.037 0.059 0.000 0.633 398 A CB -0.892 18.141 19.000 0.054 0.000 0.819 398 A HN 0.546 nan 8.150 nan 0.000 0.448 399 T N 0.307 114.945 114.554 0.140 0.000 2.942 399 T HA -0.007 4.343 4.350 0.000 0.000 0.265 399 T C 1.765 176.546 174.700 0.135 0.000 1.062 399 T CA 1.299 63.496 62.100 0.161 0.000 1.139 399 T CB -0.433 68.605 68.868 0.284 0.000 0.883 399 T HN 0.734 nan 8.240 nan 0.000 0.468 400 I N -0.492 120.151 120.570 0.122 0.000 2.876 400 I HA 0.195 4.365 4.170 0.000 0.000 0.264 400 I C 2.306 178.391 176.117 -0.052 0.000 1.204 400 I CA 0.991 62.272 61.300 -0.031 0.000 1.485 400 I CB -0.220 37.843 38.000 0.106 0.000 1.103 400 I HN -0.037 nan 8.210 nan 0.000 0.446 401 E N 2.103 122.304 120.200 0.001 0.000 2.028 401 E HA -0.220 4.130 4.350 0.000 0.000 0.191 401 E C 2.408 178.990 176.600 -0.028 0.000 0.988 401 E CA 1.393 57.792 56.400 -0.002 0.000 0.799 401 E CB -0.317 29.391 29.700 0.014 0.000 0.755 401 E HN 0.373 nan 8.360 nan 0.000 0.447 402 R N 0.490 120.972 120.500 -0.030 0.000 2.081 402 R HA -0.125 4.215 4.340 0.000 0.000 0.235 402 R C 0.525 176.774 176.300 -0.085 0.000 1.131 402 R CA 1.741 57.816 56.100 -0.041 0.000 0.960 402 R CB -0.312 29.973 30.300 -0.026 0.000 0.856 402 R HN 0.147 nan 8.270 nan 0.000 0.436 403 D N -0.838 119.463 120.400 -0.165 0.000 2.336 403 D HA 0.104 4.744 4.640 0.000 0.000 0.229 403 D C 0.929 177.045 176.300 -0.306 0.000 1.061 403 D CA 0.917 54.748 54.000 -0.282 0.000 0.875 403 D CB 0.350 40.880 40.800 -0.451 0.000 0.904 403 D HN 0.560 nan 8.370 nan 0.000 0.525 404 G N 0.645 109.348 108.800 -0.162 0.000 2.184 404 G HA2 -0.389 3.572 3.960 0.000 0.000 0.264 404 G HA3 -0.389 3.572 3.960 0.000 0.000 0.264 404 G C 0.870 175.815 174.900 0.074 0.000 0.975 404 G CA 0.287 45.367 45.100 -0.035 0.000 0.642 404 G HN 0.281 nan 8.290 nan 0.000 0.536 405 Y N 0.121 120.392 120.300 -0.049 0.000 2.293 405 Y HA 0.232 4.783 4.550 0.000 0.000 0.291 405 Y C 3.001 178.880 175.900 -0.035 0.000 1.137 405 Y CA 1.000 59.059 58.100 -0.067 0.000 1.202 405 Y CB -1.073 37.306 38.460 -0.136 0.000 0.990 405 Y HN 0.451 nan 8.280 nan 0.000 0.537 406 A N -0.474 122.424 122.820 0.130 0.000 1.968 406 A HA -0.186 4.134 4.320 0.000 0.000 0.217 406 A C 2.170 179.789 177.584 0.058 0.000 1.169 406 A CA 1.577 53.657 52.037 0.072 0.000 0.638 406 A CB -0.458 18.567 19.000 0.042 0.000 0.812 406 A HN 0.357 nan 8.150 nan 0.000 0.446 407 Q N -0.332 119.502 119.800 0.056 0.000 2.137 407 Q HA -0.016 4.325 4.340 0.000 0.000 0.198 407 Q C 1.835 177.868 176.000 0.056 0.000 0.960 407 Q CA 1.647 57.477 55.803 0.045 0.000 0.847 407 Q CB -0.425 28.333 28.738 0.034 0.000 0.915 407 Q HN 0.318 nan 8.270 nan 0.000 0.448 408 V N 0.457 120.412 119.914 0.069 0.000 2.343 408 V HA -0.242 3.878 4.120 0.000 0.000 0.247 408 V C 2.166 178.310 176.094 0.084 0.000 1.051 408 V CA 1.569 63.907 62.300 0.065 0.000 1.036 408 V CB -0.513 31.346 31.823 0.061 0.000 0.654 408 V HN 0.371 nan 8.190 nan 0.000 0.451 409 L N -0.758 120.526 121.223 0.101 0.000 2.141 409 L HA -0.137 4.204 4.340 0.000 0.000 0.209 409 L C 2.704 179.663 176.870 0.148 0.000 1.094 409 L CA 1.422 56.355 54.840 0.155 0.000 0.763 409 L CB -0.538 41.581 42.059 0.099 0.000 0.908 409 L HN 0.231 nan 8.230 nan 0.000 0.437 410 R N 0.103 120.654 120.500 0.084 0.000 2.075 410 R HA -0.145 4.196 4.340 0.000 0.000 0.232 410 R C 1.829 178.174 176.300 0.075 0.000 1.126 410 R CA 1.527 57.667 56.100 0.067 0.000 0.963 410 R CB -0.014 30.311 30.300 0.042 0.000 0.858 410 R HN 0.307 nan 8.270 nan 0.000 0.435 411 D N -0.056 120.384 120.400 0.067 0.000 2.178 411 D HA -0.115 4.525 4.640 0.000 0.000 0.202 411 D C 1.608 177.944 176.300 0.059 0.000 0.974 411 D CA 1.196 55.228 54.000 0.053 0.000 0.841 411 D CB 0.050 40.874 40.800 0.040 0.000 0.953 411 D HN 0.213 nan 8.370 nan 0.000 0.478 412 V N -2.540 117.420 119.914 0.077 0.000 3.623 412 V HA 0.393 4.513 4.120 0.000 0.000 0.274 412 V C 1.393 177.540 176.094 0.089 0.000 1.244 412 V CA 0.583 62.916 62.300 0.056 0.000 1.182 412 V CB -0.505 31.326 31.823 0.012 0.000 0.925 412 V HN 0.229 nan 8.190 nan 0.000 0.462 413 G N -0.971 107.902 108.800 0.122 0.000 2.148 413 G HA2 -0.080 3.881 3.960 0.000 0.000 0.203 413 G HA3 -0.080 3.881 3.960 0.000 0.000 0.203 413 G C 0.431 175.450 174.900 0.199 0.000 0.993 413 G CA -0.304 44.874 45.100 0.130 0.000 0.661 413 G HN 1.311 nan 8.290 nan 0.000 0.518 414 G N -0.341 108.609 108.800 0.250 0.000 2.467 414 G HA2 0.581 4.542 3.960 0.000 0.000 0.257 414 G HA3 0.581 4.542 3.960 0.000 0.000 0.257 414 G C -0.238 174.669 174.900 0.012 0.000 1.227 414 G CA -0.437 44.747 45.100 0.140 0.000 0.835 414 G HN 0.539 nan 8.290 nan 0.000 0.556 415 I N 1.302 121.838 120.570 -0.057 0.000 2.362 415 I HA 0.185 4.355 4.170 0.000 0.000 0.289 415 I C -0.009 176.043 176.117 -0.108 0.000 0.994 415 I CA -0.546 60.725 61.300 -0.047 0.000 1.158 415 I CB 2.188 40.179 38.000 -0.016 0.000 1.315 415 I HN 0.123 nan 8.210 nan 0.000 0.451 416 V N 7.379 127.246 119.914 -0.077 0.000 2.389 416 V HA 0.291 4.412 4.120 0.000 0.000 0.264 416 V C 0.502 176.557 176.094 -0.066 0.000 1.049 416 V CA -0.459 61.790 62.300 -0.085 0.000 0.932 416 V CB 0.352 32.144 31.823 -0.051 0.000 1.011 416 V HN 0.490 nan 8.190 nan 0.000 0.475 417 L N 3.635 124.806 121.223 -0.086 0.000 2.468 417 L HA 0.621 4.961 4.340 0.000 0.000 0.254 417 L C 1.126 177.963 176.870 -0.056 0.000 1.171 417 L CA -0.419 54.379 54.840 -0.070 0.000 0.809 417 L CB 0.524 42.522 42.059 -0.102 0.000 1.155 417 L HN 0.709 nan 8.230 nan 0.000 0.473 418 A N 0.716 123.510 122.820 -0.043 0.000 2.409 418 A HA 0.066 4.386 4.320 0.000 0.000 0.246 418 A C 0.015 177.566 177.584 -0.056 0.000 1.099 418 A CA -0.337 51.677 52.037 -0.037 0.000 0.789 418 A CB -0.127 18.859 19.000 -0.023 0.000 1.053 418 A HN 0.779 nan 8.150 nan 0.000 0.503 419 N N 0.937 119.607 118.700 -0.051 0.000 2.968 419 N HA 0.449 5.190 4.740 0.000 0.000 0.271 419 N C -0.437 175.021 175.510 -0.087 0.000 1.174 419 N CA 0.759 53.770 53.050 -0.066 0.000 1.096 419 N CB 0.229 38.686 38.487 -0.051 0.000 1.403 419 N HN 0.799 nan 8.380 nan 0.000 0.522 420 A N -0.493 122.260 122.820 -0.111 0.000 2.612 420 A HA 0.354 4.674 4.320 0.000 0.000 0.293 420 A C 0.860 178.320 177.584 -0.207 0.000 1.075 420 A CA -0.738 51.214 52.037 -0.141 0.000 0.680 420 A CB 0.339 19.284 19.000 -0.093 0.000 1.279 420 A HN 0.442 nan 8.150 nan 0.000 0.411 421 C N 0.537 119.657 119.300 -0.300 0.000 2.385 421 C HA 0.255 4.716 4.460 0.000 0.000 0.275 421 C C 2.364 177.163 174.990 -0.318 0.000 1.207 421 C CA 1.562 60.352 59.018 -0.381 0.000 1.760 421 C CB -1.721 25.681 27.740 -0.564 0.000 2.051 421 C HN 2.303 nan 8.230 nan 0.000 0.467 422 G N 0.779 109.451 108.800 -0.214 0.000 2.583 422 G HA2 -0.296 3.664 3.960 0.000 0.000 0.292 422 G HA3 -0.296 3.664 3.960 0.000 0.000 0.292 422 G C -1.147 173.682 174.900 -0.119 0.000 1.203 422 G CA 0.435 45.449 45.100 -0.143 0.000 0.987 422 G HN 0.239 nan 8.290 nan 0.000 0.554 423 P HA -0.196 nan 4.420 nan 0.000 0.219 423 P C 2.285 179.589 177.300 0.006 0.000 1.153 423 P CA 2.447 65.480 63.100 -0.113 0.000 0.865 423 P CB -0.228 31.213 31.700 -0.431 0.000 0.788 424 C N -0.968 118.166 119.300 -0.275 0.000 2.413 424 C HA -0.140 4.320 4.460 0.000 0.000 0.276 424 C C 1.703 176.638 174.990 -0.092 0.000 1.248 424 C CA 1.043 59.847 59.018 -0.357 0.000 1.742 424 C CB -1.708 25.569 27.740 -0.771 0.000 2.017 424 C HN 0.139 nan 8.230 nan 0.000 0.481 425 I N -0.206 120.337 120.570 -0.045 0.000 3.736 425 I HA 0.468 4.638 4.170 0.000 0.000 0.338 425 I C 1.289 177.471 176.117 0.109 0.000 1.558 425 I CA 0.412 61.749 61.300 0.063 0.000 1.147 425 I CB -0.814 37.260 38.000 0.122 0.000 1.275 425 I HN 0.317 nan 8.210 nan 0.000 0.454 426 G N 0.599 109.482 108.800 0.138 0.000 2.153 426 G HA2 -0.261 3.700 3.960 0.000 0.000 0.252 426 G HA3 -0.261 3.700 3.960 0.000 0.000 0.252 426 G C 0.391 175.402 174.900 0.185 0.000 0.994 426 G CA -0.166 45.054 45.100 0.201 0.000 0.698 426 G HN 0.412 nan 8.290 nan 0.000 0.521 427 Q N -0.909 118.972 119.800 0.136 0.000 3.026 427 Q HA 0.328 4.668 4.340 0.000 0.000 0.258 427 Q C -0.579 175.542 176.000 0.202 0.000 1.388 427 Q CA -0.049 55.825 55.803 0.117 0.000 1.000 427 Q CB -0.006 28.764 28.738 0.052 0.000 1.634 427 Q HN 0.540 nan 8.270 nan 0.000 0.571 428 W N 1.982 123.286 121.300 0.006 0.000 3.036 428 W HA 0.206 4.866 4.660 0.000 0.000 0.337 428 W C -1.517 175.009 176.519 0.011 0.000 1.055 428 W CA -1.691 55.663 57.345 0.014 0.000 1.248 428 W CB 1.172 30.652 29.460 0.032 0.000 1.335 428 W HN 0.164 nan 8.180 nan 0.000 0.446 429 D N 4.806 125.315 120.400 0.181 0.000 2.441 429 D HA 0.204 4.844 4.640 0.000 0.000 0.221 429 D C 1.322 177.514 176.300 -0.180 0.000 1.156 429 D CA 0.109 54.095 54.000 -0.023 0.000 0.896 429 D CB 0.781 41.598 40.800 0.029 0.000 1.028 429 D HN 0.492 nan 8.370 nan 0.000 0.509 430 R N 2.434 122.620 120.500 -0.522 0.000 2.070 430 R HA -0.141 4.200 4.340 0.000 0.000 0.227 430 R C 0.810 176.927 176.300 -0.305 0.000 1.147 430 R CA 1.236 56.869 56.100 -0.780 0.000 0.924 430 R CB 0.185 29.869 30.300 -1.027 0.000 0.827 430 R HN 0.255 nan 8.270 nan 0.000 0.431 431 K N -0.987 119.285 120.400 -0.213 0.000 3.467 431 K HA -0.226 4.095 4.320 0.000 0.000 0.375 431 K C 1.026 177.582 176.600 -0.073 0.000 0.589 431 K CA 2.084 58.309 56.287 -0.103 0.000 1.651 431 K CB -1.906 30.567 32.500 -0.045 0.000 1.135 431 K HN 0.704 nan 8.250 nan 0.000 0.459 432 D N 1.613 121.976 120.400 -0.062 0.000 2.264 432 D HA -0.092 4.548 4.640 0.000 0.000 0.208 432 D C 1.072 177.358 176.300 -0.024 0.000 0.966 432 D CA 1.139 55.128 54.000 -0.018 0.000 0.864 432 D CB -0.325 40.489 40.800 0.022 0.000 0.933 432 D HN 0.556 nan 8.370 nan 0.000 0.499 433 I N -1.845 118.694 120.570 -0.052 0.000 2.750 433 I HA 0.379 4.549 4.170 0.000 0.000 0.308 433 I C 0.077 176.170 176.117 -0.041 0.000 1.016 433 I CA -1.512 59.767 61.300 -0.035 0.000 1.098 433 I CB 1.666 39.647 38.000 -0.031 0.000 1.279 433 I HN -0.212 nan 8.210 nan 0.000 0.454 434 K N 1.691 122.079 120.400 -0.021 0.000 2.117 434 K HA 0.396 4.716 4.320 0.000 0.000 0.240 434 K C -0.270 176.320 176.600 -0.016 0.000 1.031 434 K CA -0.865 55.411 56.287 -0.018 0.000 0.909 434 K CB 0.455 32.952 32.500 -0.006 0.000 1.097 434 K HN 0.578 nan 8.250 nan 0.000 0.492 435 K N -0.027 120.366 120.400 -0.011 0.000 2.412 435 K HA 0.129 4.449 4.320 0.000 0.000 0.281 435 K C 0.627 177.237 176.600 0.017 0.000 1.027 435 K CA 1.203 57.489 56.287 -0.001 0.000 0.989 435 K CB -0.030 32.470 32.500 -0.000 0.000 0.935 435 K HN 0.842 nan 8.250 nan 0.000 0.475 436 G N 2.427 111.246 108.800 0.032 0.000 2.168 436 G HA2 -0.333 3.627 3.960 0.000 0.000 0.263 436 G HA3 -0.333 3.627 3.960 0.000 0.000 0.263 436 G C -0.015 174.916 174.900 0.052 0.000 0.977 436 G CA 0.516 45.645 45.100 0.050 0.000 0.659 436 G HN 0.720 nan 8.290 nan 0.000 0.533 437 E N 0.367 120.591 120.200 0.040 0.000 2.373 437 E HA 0.396 4.746 4.350 0.000 0.000 0.267 437 E C 0.415 177.049 176.600 0.057 0.000 1.032 437 E CA -0.536 55.886 56.400 0.038 0.000 0.889 437 E CB 0.367 30.079 29.700 0.020 0.000 0.984 437 E HN 0.247 nan 8.360 nan 0.000 0.425 438 K N 3.962 124.394 120.400 0.052 0.000 2.227 438 K HA 0.147 4.467 4.320 0.000 0.000 0.280 438 K C -0.850 175.758 176.600 0.013 0.000 1.041 438 K CA -0.389 55.927 56.287 0.048 0.000 0.905 438 K CB 0.378 32.901 32.500 0.038 0.000 1.068 438 K HN 0.612 nan 8.250 nan 0.000 0.470 439 N N 1.542 120.251 118.700 0.016 0.000 2.708 439 N HA 0.240 4.980 4.740 0.000 0.000 0.257 439 N C -1.400 174.142 175.510 0.052 0.000 1.373 439 N CA -0.631 52.435 53.050 0.027 0.000 0.843 439 N CB 1.825 40.342 38.487 0.050 0.000 1.503 439 N HN 0.228 nan 8.380 nan 0.000 0.504 440 T N 0.691 115.290 114.554 0.075 0.000 2.945 440 T HA 0.724 5.074 4.350 0.000 0.000 0.286 440 T C -0.213 174.566 174.700 0.133 0.000 1.025 440 T CA -0.514 61.672 62.100 0.143 0.000 1.039 440 T CB 0.696 69.631 68.868 0.112 0.000 1.068 440 T HN 0.503 nan 8.240 nan 0.000 0.497 441 I N 0.623 121.291 120.570 0.163 0.000 2.571 441 I HA 0.595 4.765 4.170 0.000 0.000 0.289 441 I C -0.406 175.774 176.117 0.104 0.000 1.115 441 I CA -1.499 59.881 61.300 0.134 0.000 1.045 441 I CB 1.791 39.891 38.000 0.167 0.000 1.238 441 I HN 0.372 nan 8.210 nan 0.000 0.424 442 V N 1.710 121.654 119.914 0.050 0.000 2.532 442 V HA 0.942 5.062 4.120 0.000 0.000 0.295 442 V C 0.176 176.211 176.094 -0.098 0.000 1.041 442 V CA -0.026 62.287 62.300 0.021 0.000 0.926 442 V CB 1.362 33.196 31.823 0.018 0.000 0.992 442 V HN 0.969 nan 8.190 nan 0.000 0.457 443 T N 0.409 114.842 114.554 -0.201 0.000 2.901 443 T HA 0.595 4.945 4.350 0.000 0.000 0.293 443 T C 0.273 174.762 174.700 -0.350 0.000 1.084 443 T CA 0.036 61.836 62.100 -0.501 0.000 1.008 443 T CB 1.718 69.989 68.868 -0.996 0.000 1.170 443 T HN 1.525 nan 8.240 nan 0.000 0.509 444 S N 0.713 116.201 115.700 -0.353 0.000 2.481 444 S HA 0.364 4.834 4.470 0.000 0.000 0.243 444 S C -0.344 174.299 174.600 0.071 0.000 1.152 444 S CA -0.740 57.408 58.200 -0.088 0.000 1.168 444 S CB -0.918 62.275 63.200 -0.013 0.000 0.835 444 S HN 0.615 nan 8.310 nan 0.000 0.474 445 Y N 2.780 123.025 120.300 -0.092 0.000 2.707 445 Y HA 0.455 5.005 4.550 0.000 0.000 0.409 445 Y C 1.659 177.470 175.900 -0.148 0.000 1.343 445 Y CA -1.253 56.767 58.100 -0.134 0.000 1.663 445 Y CB -0.275 38.099 38.460 -0.142 0.000 1.678 445 Y HN 0.458 nan 8.280 nan 0.000 0.687 446 N N -1.198 117.501 118.700 -0.002 0.000 2.430 446 N HA 0.165 4.906 4.740 0.000 0.000 0.235 446 N C -0.098 175.336 175.510 -0.127 0.000 1.108 446 N CA -0.217 52.781 53.050 -0.087 0.000 0.834 446 N CB 0.280 38.665 38.487 -0.169 0.000 1.430 446 N HN 0.162 nan 8.380 nan 0.000 0.463 447 R N 0.805 121.193 120.500 -0.186 0.000 2.404 447 R HA 0.428 4.769 4.340 0.000 0.000 0.291 447 R C -0.750 175.370 176.300 -0.300 0.000 1.025 447 R CA -0.278 55.573 56.100 -0.415 0.000 0.991 447 R CB 0.530 30.500 30.300 -0.551 0.000 1.053 447 R HN 0.501 nan 8.270 nan 0.000 0.479 448 N N 2.610 121.102 118.700 -0.347 0.000 2.547 448 N HA 0.065 4.806 4.740 0.000 0.000 0.285 448 N C -0.994 174.493 175.510 -0.039 0.000 1.600 448 N CA -0.403 52.533 53.050 -0.190 0.000 0.872 448 N CB -0.301 38.030 38.487 -0.260 0.000 1.412 448 N HN 0.283 nan 8.380 nan 0.000 0.489 449 F N 0.826 120.780 119.950 0.007 0.000 2.490 449 F HA 0.167 4.695 4.527 0.000 0.000 0.336 449 F C 1.067 176.918 175.800 0.085 0.000 1.178 449 F CA -0.535 57.504 58.000 0.064 0.000 1.301 449 F CB 0.616 39.650 39.000 0.056 0.000 1.175 449 F HN -0.113 nan 8.300 nan 0.000 0.593 450 T N 2.269 117.057 114.554 0.390 0.000 2.736 450 T HA 0.218 4.568 4.350 0.000 0.000 0.275 450 T C 0.842 175.666 174.700 0.207 0.000 0.962 450 T CA 0.869 63.191 62.100 0.371 0.000 1.214 450 T CB -0.123 68.942 68.868 0.328 0.000 0.904 450 T HN 1.018 nan 8.240 nan 0.000 0.529 451 G N 3.568 112.490 108.800 0.204 0.000 2.160 451 G HA2 -0.354 3.606 3.960 0.000 0.000 0.251 451 G HA3 -0.354 3.606 3.960 0.000 0.000 0.251 451 G C 0.997 175.983 174.900 0.143 0.000 1.008 451 G CA 0.643 45.835 45.100 0.155 0.000 0.724 451 G HN 0.774 nan 8.290 nan 0.000 0.514 452 R N 0.056 120.649 120.500 0.154 0.000 2.090 452 R HA 0.027 4.367 4.340 0.000 0.000 0.228 452 R C 2.202 178.603 176.300 0.169 0.000 1.110 452 R CA 1.982 58.175 56.100 0.155 0.000 0.973 452 R CB -0.357 30.037 30.300 0.158 0.000 0.869 452 R HN 0.384 nan 8.270 nan 0.000 0.440 453 N N 0.405 119.224 118.700 0.200 0.000 2.207 453 N HA -0.087 4.653 4.740 0.000 0.000 0.182 453 N C 0.206 175.961 175.510 0.408 0.000 1.020 453 N CA 1.651 54.885 53.050 0.306 0.000 0.858 453 N CB 0.138 38.838 38.487 0.354 0.000 0.991 453 N HN 0.576 nan 8.380 nan 0.000 0.427 454 D N -2.197 118.346 120.400 0.238 0.000 2.516 454 D HA 0.306 4.946 4.640 0.000 0.000 0.241 454 D C 0.319 176.635 176.300 0.027 0.000 1.246 454 D CA 0.360 54.396 54.000 0.060 0.000 0.808 454 D CB -0.036 40.660 40.800 -0.174 0.000 1.147 454 D HN 0.030 nan 8.370 nan 0.000 0.527 455 A N 0.210 123.083 122.820 0.087 0.000 2.905 455 A HA -0.251 4.069 4.320 0.000 0.000 0.260 455 A C 0.048 177.676 177.584 0.073 0.000 1.398 455 A CA 0.879 52.968 52.037 0.087 0.000 0.840 455 A CB -2.811 16.233 19.000 0.075 0.000 1.059 455 A HN 0.473 nan 8.150 nan 0.000 0.647 456 N N -0.861 117.885 118.700 0.077 0.000 2.407 456 N HA 0.633 5.373 4.740 0.000 0.000 0.277 456 N C -1.706 173.890 175.510 0.142 0.000 0.995 456 N CA -2.161 50.939 53.050 0.084 0.000 0.903 456 N CB 1.675 40.189 38.487 0.046 0.000 1.218 456 N HN -0.038 nan 8.380 nan 0.000 0.487 457 P HA 0.015 nan 4.420 nan 0.000 0.222 457 P C 0.356 177.855 177.300 0.331 0.000 1.153 457 P CA 0.750 63.987 63.100 0.228 0.000 0.798 457 P CB 0.396 32.185 31.700 0.148 0.000 0.796 458 E N -0.836 119.529 120.200 0.275 0.000 2.512 458 E HA 0.021 4.371 4.350 0.000 0.000 0.195 458 E C 0.013 176.882 176.600 0.448 0.000 1.083 458 E CA 0.547 57.171 56.400 0.373 0.000 0.873 458 E CB -0.834 29.001 29.700 0.225 0.000 0.897 458 E HN 0.194 nan 8.360 nan 0.000 0.514 459 T N 1.882 116.640 114.554 0.339 0.000 2.738 459 T HA 0.094 4.444 4.350 0.000 0.000 0.293 459 T C -0.321 174.467 174.700 0.148 0.000 0.913 459 T CA -0.165 62.077 62.100 0.237 0.000 1.103 459 T CB -0.005 68.953 68.868 0.149 0.000 0.880 459 T HN 0.018 nan 8.240 nan 0.000 0.526 460 H N 2.055 121.069 119.070 -0.092 0.000 2.640 460 H HA 0.556 5.112 4.556 0.000 0.000 0.297 460 H C 0.051 175.250 175.328 -0.215 0.000 1.073 460 H CA -0.771 55.066 56.048 -0.352 0.000 1.305 460 H CB 0.543 30.284 29.762 -0.035 0.000 1.404 460 H HN 0.707 nan 8.280 nan 0.000 0.459 461 A N 4.516 127.096 122.820 -0.399 0.000 2.271 461 A HA 0.552 4.872 4.320 0.000 0.000 0.317 461 A C -1.043 176.291 177.584 -0.418 0.000 1.245 461 A CA -0.553 51.353 52.037 -0.219 0.000 0.857 461 A CB -0.003 18.887 19.000 -0.183 0.000 1.175 461 A HN 0.486 nan 8.150 nan 0.000 0.512 462 F N 2.231 122.086 119.950 -0.159 0.000 2.444 462 F HA 0.476 5.003 4.527 0.000 0.000 0.342 462 F C 0.445 176.179 175.800 -0.111 0.000 1.121 462 F CA -0.653 57.267 58.000 -0.134 0.000 0.997 462 F CB 2.225 41.172 39.000 -0.089 0.000 1.130 462 F HN 0.475 nan 8.300 nan 0.000 0.454 463 V N 0.544 120.469 119.914 0.018 0.000 2.481 463 V HA 0.886 5.007 4.120 0.000 0.000 0.286 463 V C -0.253 175.863 176.094 0.037 0.000 1.042 463 V CA -0.098 62.196 62.300 -0.010 0.000 0.928 463 V CB 1.100 32.894 31.823 -0.048 0.000 0.986 463 V HN 0.862 nan 8.190 nan 0.000 0.462 464 T N 2.203 116.769 114.554 0.020 0.000 2.626 464 T HA 0.525 4.875 4.350 0.000 0.000 0.299 464 T C -0.048 174.670 174.700 0.030 0.000 1.181 464 T CA 0.219 62.344 62.100 0.043 0.000 1.053 464 T CB 1.559 70.460 68.868 0.055 0.000 1.566 464 T HN 1.544 nan 8.240 nan 0.000 0.486 465 S N 1.681 117.410 115.700 0.048 0.000 2.592 465 S HA 0.399 4.870 4.470 0.000 0.000 0.271 465 S C -1.605 173.027 174.600 0.054 0.000 1.326 465 S CA -0.737 57.491 58.200 0.048 0.000 1.024 465 S CB 1.107 64.350 63.200 0.071 0.000 0.921 465 S HN 0.627 nan 8.310 nan 0.000 0.527 466 P HA -0.148 nan 4.420 nan 0.000 0.219 466 P C 1.304 178.661 177.300 0.096 0.000 1.150 466 P CA 1.160 64.295 63.100 0.059 0.000 0.814 466 P CB -0.037 31.683 31.700 0.034 0.000 0.787 467 E N 0.057 120.316 120.200 0.098 0.000 2.150 467 E HA -0.131 4.219 4.350 0.000 0.000 0.193 467 E C 1.964 178.730 176.600 0.277 0.000 0.985 467 E CA 0.959 57.452 56.400 0.155 0.000 0.814 467 E CB -0.939 28.825 29.700 0.106 0.000 0.752 467 E HN 0.181 nan 8.360 nan 0.000 0.466 468 I N 1.616 122.314 120.570 0.213 0.000 2.353 468 I HA -0.148 4.022 4.170 0.000 0.000 0.248 468 I C 2.612 178.762 176.117 0.054 0.000 1.119 468 I CA 0.524 61.886 61.300 0.102 0.000 1.417 468 I CB -0.829 37.200 38.000 0.048 0.000 1.078 468 I HN -0.018 nan 8.210 nan 0.000 0.421 469 V N 0.837 120.792 119.914 0.068 0.000 2.343 469 V HA -0.252 3.868 4.120 0.000 0.000 0.247 469 V C 2.523 178.640 176.094 0.039 0.000 1.051 469 V CA 2.148 64.483 62.300 0.059 0.000 1.036 469 V CB -1.084 30.789 31.823 0.084 0.000 0.654 469 V HN 0.425 nan 8.190 nan 0.000 0.451 470 T N 0.730 115.316 114.554 0.053 0.000 2.614 470 T HA -0.175 4.175 4.350 0.000 0.000 0.263 470 T C 2.126 176.728 174.700 -0.162 0.000 1.055 470 T CA 1.744 63.753 62.100 -0.151 0.000 1.162 470 T CB -0.616 68.244 68.868 -0.013 0.000 0.863 470 T HN 0.550 nan 8.240 nan 0.000 0.414 471 A N 1.058 123.890 122.820 0.019 0.000 1.917 471 A HA -0.057 4.263 4.320 0.000 0.000 0.219 471 A C 2.181 179.781 177.584 0.028 0.000 1.182 471 A CA 1.416 53.495 52.037 0.070 0.000 0.633 471 A CB -0.897 18.197 19.000 0.157 0.000 0.819 471 A HN 0.370 nan 8.150 nan 0.000 0.448 472 L N -1.034 120.195 121.223 0.011 0.000 2.465 472 L HA 0.034 4.374 4.340 0.000 0.000 0.224 472 L C 2.671 179.496 176.870 -0.074 0.000 1.145 472 L CA 1.325 56.167 54.840 0.004 0.000 0.834 472 L CB -0.430 41.623 42.059 -0.009 0.000 0.944 472 L HN 0.403 nan 8.230 nan 0.000 0.451 473 A N -0.846 121.886 122.820 -0.146 0.000 1.943 473 A HA 0.017 4.337 4.320 0.000 0.000 0.213 473 A C 2.197 179.643 177.584 -0.231 0.000 1.181 473 A CA 0.717 52.636 52.037 -0.196 0.000 0.653 473 A CB -0.391 18.389 19.000 -0.367 0.000 0.833 473 A HN 0.293 nan 8.150 nan 0.000 0.451 474 I N 0.040 120.449 120.570 -0.269 0.000 2.286 474 I HA -0.265 3.905 4.170 0.000 0.000 0.248 474 I C 2.774 178.747 176.117 -0.240 0.000 1.115 474 I CA 1.238 62.397 61.300 -0.235 0.000 1.392 474 I CB -0.156 37.719 38.000 -0.208 0.000 1.065 474 I HN 0.339 nan 8.210 nan 0.000 0.418 475 A N 0.005 122.643 122.820 -0.304 0.000 2.072 475 A HA 0.210 4.530 4.320 0.000 0.000 0.216 475 A C 2.103 179.580 177.584 -0.178 0.000 1.156 475 A CA 0.977 52.785 52.037 -0.382 0.000 0.701 475 A CB -0.640 17.969 19.000 -0.653 0.000 0.816 475 A HN 0.545 nan 8.150 nan 0.000 0.458 476 G N -1.700 107.030 108.800 -0.118 0.000 2.189 476 G HA2 -0.241 3.719 3.960 0.000 0.000 0.267 476 G HA3 -0.241 3.719 3.960 0.000 0.000 0.267 476 G C 0.487 175.371 174.900 -0.027 0.000 0.975 476 G CA 1.177 46.243 45.100 -0.057 0.000 0.644 476 G HN 1.346 nan 8.290 nan 0.000 0.537 477 T N -0.956 113.587 114.554 -0.019 0.000 2.909 477 T HA 0.583 4.934 4.350 0.000 0.000 0.299 477 T C 1.205 175.907 174.700 0.002 0.000 1.073 477 T CA -0.506 61.600 62.100 0.009 0.000 0.999 477 T CB 1.153 70.055 68.868 0.057 0.000 1.098 477 T HN 0.248 nan 8.240 nan 0.000 0.477 478 L N 2.956 124.158 121.223 -0.034 0.000 2.622 478 L HA 0.157 4.497 4.340 0.000 0.000 0.233 478 L C 1.642 178.481 176.870 -0.051 0.000 1.156 478 L CA 0.815 55.603 54.840 -0.086 0.000 0.866 478 L CB -0.274 41.683 42.059 -0.170 0.000 0.980 478 L HN 0.639 nan 8.230 nan 0.000 0.448 479 K N -1.008 119.404 120.400 0.020 0.000 2.699 479 K HA 0.140 4.460 4.320 0.000 0.000 0.210 479 K C -0.314 176.347 176.600 0.101 0.000 1.076 479 K CA -0.440 55.874 56.287 0.044 0.000 1.109 479 K CB 0.172 32.718 32.500 0.076 0.000 0.862 479 K HN -0.116 nan 8.250 nan 0.000 0.470 480 F N 2.518 122.372 119.950 -0.160 0.000 2.426 480 F HA 0.359 4.886 4.527 0.000 0.000 0.348 480 F C -1.021 174.598 175.800 -0.301 0.000 1.124 480 F CA -1.640 56.170 58.000 -0.315 0.000 1.008 480 F CB 1.301 40.065 39.000 -0.393 0.000 1.139 480 F HN 0.158 nan 8.300 nan 0.000 0.452 481 N N 8.201 126.391 118.700 -0.850 0.000 2.476 481 N HA 0.290 5.030 4.740 0.000 0.000 0.257 481 N C -2.324 172.463 175.510 -1.205 0.000 0.970 481 N CA -1.834 50.737 53.050 -0.797 0.000 0.938 481 N CB 2.216 40.431 38.487 -0.453 0.000 1.144 481 N HN 0.286 nan 8.380 nan 0.000 0.500 482 P HA -0.156 nan 4.420 nan 0.000 0.218 482 P C 0.463 177.203 177.300 -0.933 0.000 1.146 482 P CA 1.415 63.714 63.100 -1.335 0.000 0.820 482 P CB 0.356 31.020 31.700 -1.726 0.000 0.778 483 E N -1.522 118.198 120.200 -0.801 0.000 2.208 483 E HA -0.092 4.259 4.350 0.000 0.000 0.193 483 E C 1.719 178.192 176.600 -0.211 0.000 0.988 483 E CA 1.692 57.845 56.400 -0.411 0.000 0.828 483 E CB -0.231 29.288 29.700 -0.301 0.000 0.763 483 E HN 0.448 nan 8.360 nan 0.000 0.478 484 T N -1.616 112.789 114.554 -0.249 0.000 3.111 484 T HA 0.011 4.361 4.350 0.000 0.000 0.236 484 T C 0.795 175.526 174.700 0.051 0.000 0.984 484 T CA -0.267 61.788 62.100 -0.075 0.000 1.195 484 T CB -0.242 68.586 68.868 -0.068 0.000 0.929 484 T HN -0.193 nan 8.240 nan 0.000 0.431 485 D N 2.487 122.848 120.400 -0.065 0.000 2.243 485 D HA 0.216 4.856 4.640 0.000 0.000 0.237 485 D C 0.142 176.685 176.300 0.404 0.000 1.364 485 D CA -0.263 53.800 54.000 0.103 0.000 0.927 485 D CB -0.109 40.530 40.800 -0.269 0.000 1.216 485 D HN 0.539 nan 8.370 nan 0.000 0.517 486 F N -0.334 119.912 119.950 0.494 0.000 2.538 486 F HA 0.418 4.945 4.527 0.000 0.000 0.371 486 F C -0.147 175.765 175.800 0.188 0.000 1.087 486 F CA -0.816 57.409 58.000 0.375 0.000 1.250 486 F CB -0.084 39.026 39.000 0.182 0.000 1.110 486 F HN 0.160 nan 8.300 nan 0.000 0.570 487 L N 3.552 124.959 121.223 0.307 0.000 2.393 487 L HA 0.559 4.900 4.340 0.000 0.000 0.260 487 L C -0.178 176.737 176.870 0.075 0.000 1.002 487 L CA -0.313 54.572 54.840 0.075 0.000 0.818 487 L CB 2.490 44.508 42.059 -0.067 0.000 1.369 487 L HN 0.933 nan 8.230 nan 0.000 0.412 488 T N 1.060 115.614 114.554 -0.001 0.000 3.400 488 T HA 0.625 4.975 4.350 0.000 0.000 0.228 488 T C 0.556 175.226 174.700 -0.049 0.000 0.992 488 T CA 0.692 62.788 62.100 -0.008 0.000 1.222 488 T CB -0.204 68.678 68.868 0.022 0.000 1.236 488 T HN 1.675 nan 8.240 nan 0.000 0.357 489 G N 1.840 110.638 108.800 -0.003 0.000 2.685 489 G HA2 -0.064 3.896 3.960 0.000 0.000 0.387 489 G HA3 -0.064 3.896 3.960 0.000 0.000 0.387 489 G C 0.077 175.004 174.900 0.046 0.000 1.324 489 G CA 0.256 45.390 45.100 0.056 0.000 0.878 489 G HN 0.724 nan 8.290 nan 0.000 0.527 490 K N 0.038 120.470 120.400 0.053 0.000 2.404 490 K HA 0.077 4.397 4.320 0.000 0.000 0.194 490 K C 1.375 178.001 176.600 0.044 0.000 1.023 490 K CA 1.781 58.090 56.287 0.036 0.000 1.094 490 K CB -0.083 32.434 32.500 0.027 0.000 0.841 490 K HN 0.681 nan 8.250 nan 0.000 0.523 491 D N 0.682 121.123 120.400 0.069 0.000 2.363 491 D HA -0.003 4.638 4.640 0.000 0.000 0.220 491 D C 1.272 177.608 176.300 0.059 0.000 0.994 491 D CA 0.930 54.972 54.000 0.070 0.000 0.890 491 D CB -0.242 40.623 40.800 0.108 0.000 0.906 491 D HN 0.372 nan 8.370 nan 0.000 0.530 492 G N 0.454 109.282 108.800 0.047 0.000 2.245 492 G HA2 -0.377 3.583 3.960 0.000 0.000 0.264 492 G HA3 -0.377 3.583 3.960 0.000 0.000 0.264 492 G C 0.632 175.553 174.900 0.036 0.000 0.985 492 G CA 0.684 45.803 45.100 0.032 0.000 0.625 492 G HN 0.510 nan 8.290 nan 0.000 0.536 493 K N 0.205 120.635 120.400 0.051 0.000 2.545 493 K HA 0.342 4.662 4.320 0.000 0.000 0.269 493 K C 0.553 177.177 176.600 0.040 0.000 1.071 493 K CA -0.295 56.027 56.287 0.059 0.000 0.919 493 K CB 0.028 32.593 32.500 0.107 0.000 1.169 493 K HN 0.063 nan 8.250 nan 0.000 0.493 494 K N 2.638 123.089 120.400 0.086 0.000 2.258 494 K HA -0.110 4.210 4.320 0.000 0.000 0.266 494 K C 0.735 177.322 176.600 -0.022 0.000 1.204 494 K CA 0.363 56.746 56.287 0.160 0.000 1.206 494 K CB -1.039 31.535 32.500 0.124 0.000 0.854 494 K HN 0.477 nan 8.250 nan 0.000 0.453 495 F N 0.610 120.527 119.950 -0.056 0.000 2.178 495 F HA -0.335 4.193 4.527 0.000 0.000 0.299 495 F C 0.568 176.388 175.800 0.032 0.000 1.045 495 F CA 0.966 58.965 58.000 -0.003 0.000 1.307 495 F CB -0.034 39.011 39.000 0.075 0.000 1.060 495 F HN 0.203 nan 8.300 nan 0.000 0.506 496 K N 1.601 121.503 120.400 -0.831 0.000 2.244 496 K HA 0.451 4.771 4.320 0.000 0.000 0.260 496 K C -0.814 175.670 176.600 -0.194 0.000 0.951 496 K CA -0.809 55.136 56.287 -0.570 0.000 0.826 496 K CB 1.597 33.565 32.500 -0.886 0.000 1.108 496 K HN 0.143 nan 8.250 nan 0.000 0.433 497 L N 3.836 125.056 121.223 -0.004 0.000 2.407 497 L HA 0.097 4.437 4.340 0.000 0.000 0.282 497 L C 0.549 177.562 176.870 0.239 0.000 1.110 497 L CA -0.208 54.731 54.840 0.165 0.000 0.863 497 L CB 0.310 42.566 42.059 0.328 0.000 1.207 497 L HN 0.546 nan 8.230 nan 0.000 0.454 498 E N 2.795 123.055 120.200 0.100 0.000 2.392 498 E HA 0.296 4.647 4.350 0.000 0.000 0.256 498 E C -0.127 176.401 176.600 -0.120 0.000 1.145 498 E CA -0.306 56.119 56.400 0.041 0.000 0.929 498 E CB 1.117 30.795 29.700 -0.036 0.000 0.998 498 E HN 0.540 nan 8.360 nan 0.000 0.442 499 A N 4.749 127.385 122.820 -0.306 0.000 2.545 499 A HA 0.200 4.520 4.320 0.000 0.000 0.253 499 A C -1.961 175.201 177.584 -0.704 0.000 1.074 499 A CA -0.902 50.609 52.037 -0.878 0.000 0.760 499 A CB -0.555 18.136 19.000 -0.516 0.000 1.005 499 A HN 0.446 nan 8.150 nan 0.000 0.506 500 P HA 0.115 nan 4.420 nan 0.000 0.268 500 P C -0.797 176.283 177.300 -0.367 0.000 1.282 500 P CA 0.070 62.839 63.100 -0.552 0.000 0.880 500 P CB 0.440 31.787 31.700 -0.589 0.000 0.971 501 D N 2.595 122.838 120.400 -0.261 0.000 2.302 501 D HA 0.525 5.165 4.640 0.000 0.000 0.248 501 D C -0.250 175.955 176.300 -0.159 0.000 1.094 501 D CA 0.276 54.166 54.000 -0.183 0.000 0.897 501 D CB 0.750 41.470 40.800 -0.132 0.000 1.200 501 D HN 0.435 nan 8.370 nan 0.000 0.429 502 A N 2.540 125.286 122.820 -0.123 0.000 2.609 502 A HA 0.441 4.761 4.320 0.000 0.000 0.291 502 A C -1.362 176.209 177.584 -0.021 0.000 1.096 502 A CA -0.840 51.133 52.037 -0.106 0.000 0.684 502 A CB 1.308 20.202 19.000 -0.177 0.000 1.282 502 A HN 0.457 nan 8.150 nan 0.000 0.412 503 D N 0.720 121.150 120.400 0.051 0.000 2.312 503 D HA 0.262 4.902 4.640 0.000 0.000 0.252 503 D C 1.118 177.546 176.300 0.213 0.000 1.150 503 D CA 0.110 54.201 54.000 0.153 0.000 0.870 503 D CB 1.581 42.549 40.800 0.280 0.000 1.153 503 D HN 0.657 nan 8.370 nan 0.000 0.457 504 E N 2.778 123.067 120.200 0.149 0.000 2.031 504 E HA -0.077 4.274 4.350 0.000 0.000 0.193 504 E C 0.021 176.753 176.600 0.220 0.000 0.994 504 E CA 0.913 57.403 56.400 0.151 0.000 0.800 504 E CB 0.327 30.078 29.700 0.085 0.000 0.752 504 E HN 0.422 nan 8.360 nan 0.000 0.447 505 L N 0.574 121.854 121.223 0.094 0.000 2.309 505 L HA 0.430 4.770 4.340 0.000 0.000 0.261 505 L C -2.344 174.215 176.870 -0.519 0.000 1.021 505 L CA -2.681 52.044 54.840 -0.192 0.000 0.823 505 L CB 2.141 44.105 42.059 -0.158 0.000 1.366 505 L HN 0.022 nan 8.230 nan 0.000 0.423 506 P HA 0.042 nan 4.420 nan 0.000 0.268 506 P C -0.391 176.656 177.300 -0.422 0.000 1.205 506 P CA -0.278 62.266 63.100 -0.927 0.000 0.771 506 P CB 0.989 31.978 31.700 -1.186 0.000 0.858 507 R N 1.969 122.350 120.500 -0.197 0.000 2.193 507 R HA 0.143 4.483 4.340 0.000 0.000 0.213 507 R C 1.260 177.477 176.300 -0.140 0.000 1.055 507 R CA 0.608 56.629 56.100 -0.132 0.000 0.995 507 R CB -1.133 29.134 30.300 -0.055 0.000 0.893 507 R HN 0.604 nan 8.270 nan 0.000 0.459 508 A N 0.277 123.000 122.820 -0.161 0.000 2.275 508 A HA 0.367 4.687 4.320 0.000 0.000 0.282 508 A C -0.153 177.314 177.584 -0.195 0.000 1.275 508 A CA -0.447 51.504 52.037 -0.143 0.000 0.842 508 A CB 0.127 19.059 19.000 -0.114 0.000 1.280 508 A HN 0.078 nan 8.150 nan 0.000 0.508 509 E N -0.952 119.164 120.200 -0.140 0.000 2.349 509 E HA 0.484 4.834 4.350 0.000 0.000 0.262 509 E C -0.884 175.633 176.600 -0.137 0.000 1.088 509 E CA -0.126 56.199 56.400 -0.126 0.000 0.899 509 E CB 0.157 29.826 29.700 -0.051 0.000 1.044 509 E HN 0.331 nan 8.360 nan 0.000 0.420 510 F N 1.130 120.981 119.950 -0.165 0.000 2.496 510 F HA 0.039 4.566 4.527 0.000 0.000 0.344 510 F C 1.160 176.898 175.800 -0.103 0.000 1.155 510 F CA 0.555 58.457 58.000 -0.164 0.000 1.302 510 F CB 0.497 39.396 39.000 -0.167 0.000 1.159 510 F HN 0.199 nan 8.300 nan 0.000 0.595 511 D N 4.179 124.677 120.400 0.163 0.000 2.232 511 D HA 0.172 4.812 4.640 0.000 0.000 0.242 511 D C -1.726 174.622 176.300 0.081 0.000 1.093 511 D CA -2.104 51.948 54.000 0.086 0.000 0.845 511 D CB 1.854 42.689 40.800 0.058 0.000 1.124 511 D HN 0.148 nan 8.370 nan 0.000 0.467 512 P HA 0.098 nan 4.420 nan 0.000 0.224 512 P C 0.799 178.122 177.300 0.038 0.000 1.157 512 P CA 0.756 63.872 63.100 0.027 0.000 0.799 512 P CB 0.650 32.362 31.700 0.021 0.000 0.809 513 G N 1.502 110.326 108.800 0.039 0.000 2.527 513 G HA2 -0.278 3.682 3.960 0.000 0.000 0.227 513 G HA3 -0.278 3.682 3.960 0.000 0.000 0.227 513 G C 0.674 175.597 174.900 0.038 0.000 1.291 513 G CA 0.297 45.419 45.100 0.038 0.000 0.904 513 G HN 0.426 nan 8.290 nan 0.000 0.577 514 Q N 0.728 120.549 119.800 0.036 0.000 2.561 514 Q HA 0.116 4.456 4.340 0.000 0.000 0.217 514 Q C -0.007 176.013 176.000 0.033 0.000 0.980 514 Q CA 1.449 57.270 55.803 0.031 0.000 0.927 514 Q CB -0.614 28.138 28.738 0.024 0.000 0.980 514 Q HN 0.784 nan 8.270 nan 0.000 0.525 515 D N 0.638 121.065 120.400 0.045 0.000 4.621 515 D HA -0.116 4.524 4.640 0.000 0.000 0.241 515 D C -0.153 176.167 176.300 0.034 0.000 1.065 515 D CA 1.207 55.235 54.000 0.046 0.000 1.247 515 D CB -1.131 39.689 40.800 0.032 0.000 0.793 515 D HN 0.612 nan 8.370 nan 0.000 0.391 516 T N -1.963 112.623 114.554 0.053 0.000 3.003 516 T HA 0.070 4.420 4.350 0.000 0.000 0.261 516 T C 0.423 175.052 174.700 -0.118 0.000 1.003 516 T CA -0.156 61.958 62.100 0.023 0.000 0.917 516 T CB 0.356 69.302 68.868 0.130 0.000 1.084 516 T HN 0.406 nan 8.240 nan 0.000 0.522 517 Y N 2.238 122.267 120.300 -0.451 0.000 2.320 517 Y HA 0.615 5.165 4.550 0.000 0.000 0.324 517 Y C -0.180 175.444 175.900 -0.460 0.000 1.190 517 Y CA -1.366 56.207 58.100 -0.879 0.000 1.215 517 Y CB 1.260 38.851 38.460 -1.448 0.000 1.221 517 Y HN 0.050 nan 8.280 nan 0.000 0.486 518 Q N 4.476 123.447 119.800 -1.382 0.000 2.290 518 Q HA 0.264 4.605 4.340 0.000 0.000 0.269 518 Q C -1.394 173.904 176.000 -1.171 0.000 1.016 518 Q CA -0.673 54.598 55.803 -0.886 0.000 0.754 518 Q CB 0.659 29.202 28.738 -0.326 0.000 1.247 518 Q HN 0.754 nan 8.270 nan 0.000 0.451 519 H N 4.209 122.848 119.070 -0.717 0.000 2.848 519 H HA 0.090 4.646 4.556 0.000 0.000 0.341 519 H C -1.960 173.253 175.328 -0.191 0.000 1.060 519 H CA -1.057 54.824 56.048 -0.279 0.000 1.444 519 H CB 0.561 30.312 29.762 -0.017 0.000 1.446 519 H HN 0.494 nan 8.280 nan 0.000 0.583 520 P HA 0.016 nan 4.420 nan 0.000 0.262 520 P C -2.369 174.937 177.300 0.009 0.000 1.199 520 P CA -0.943 62.150 63.100 -0.012 0.000 0.763 520 P CB -0.109 31.598 31.700 0.011 0.000 0.790 521 P HA -0.022 nan 4.420 nan 0.000 0.266 521 P C 1.028 178.305 177.300 -0.038 0.000 1.186 521 P CA 0.170 63.245 63.100 -0.042 0.000 0.767 521 P CB 1.085 32.748 31.700 -0.061 0.000 0.820 522 K N 0.764 121.137 120.400 -0.045 0.000 1.985 522 K HA -0.140 4.180 4.320 0.000 0.000 0.210 522 K C 0.566 177.139 176.600 -0.045 0.000 1.047 522 K CA 1.506 57.763 56.287 -0.050 0.000 0.932 522 K CB -0.195 32.269 32.500 -0.060 0.000 0.716 522 K HN 0.549 nan 8.250 nan 0.000 0.439 523 D N -0.100 120.272 120.400 -0.046 0.000 2.349 523 D HA 0.063 4.703 4.640 0.000 0.000 0.232 523 D C -0.164 176.104 176.300 -0.054 0.000 1.071 523 D CA -0.379 53.594 54.000 -0.045 0.000 0.832 523 D CB 1.150 41.926 40.800 -0.040 0.000 1.086 523 D HN 0.029 nan 8.370 nan 0.000 0.504 524 S N 1.470 117.132 115.700 -0.062 0.000 2.583 524 S HA 0.182 4.652 4.470 0.000 0.000 0.239 524 S C 0.396 174.942 174.600 -0.089 0.000 0.966 524 S CA -0.702 57.447 58.200 -0.085 0.000 0.973 524 S CB -0.024 63.113 63.200 -0.106 0.000 0.794 524 S HN 0.229 nan 8.310 nan 0.000 0.463 525 S N 2.010 117.670 115.700 -0.067 0.000 2.546 525 S HA 0.456 4.926 4.470 0.000 0.000 0.290 525 S C 1.241 175.804 174.600 -0.063 0.000 1.290 525 S CA 0.638 58.802 58.200 -0.060 0.000 1.069 525 S CB 0.115 63.289 63.200 -0.044 0.000 0.846 525 S HN 1.275 nan 8.310 nan 0.000 0.495 526 G N 2.782 111.543 108.800 -0.064 0.000 2.225 526 G HA2 -0.235 3.725 3.960 0.000 0.000 0.264 526 G HA3 -0.235 3.725 3.960 0.000 0.000 0.264 526 G C -0.272 174.584 174.900 -0.074 0.000 1.060 526 G CA -0.162 44.902 45.100 -0.059 0.000 0.833 526 G HN 0.627 nan 8.290 nan 0.000 0.498 527 Q N -0.314 119.424 119.800 -0.103 0.000 2.360 527 Q HA 0.529 4.869 4.340 0.000 0.000 0.254 527 Q C 0.568 176.500 176.000 -0.114 0.000 0.975 527 Q CA -0.476 55.256 55.803 -0.120 0.000 0.912 527 Q CB 0.607 29.244 28.738 -0.169 0.000 1.212 527 Q HN 0.450 nan 8.270 nan 0.000 0.452 528 R N 2.565 123.022 120.500 -0.072 0.000 2.312 528 R HA 0.507 4.847 4.340 0.000 0.000 0.311 528 R C -1.339 174.945 176.300 -0.027 0.000 1.004 528 R CA -0.415 55.661 56.100 -0.040 0.000 0.902 528 R CB 1.165 31.455 30.300 -0.017 0.000 1.073 528 R HN 0.453 nan 8.270 nan 0.000 0.457 529 V N 4.732 124.652 119.914 0.010 0.000 2.326 529 V HA 0.631 4.752 4.120 0.000 0.000 0.281 529 V C -0.817 175.358 176.094 0.135 0.000 1.015 529 V CA -0.334 62.013 62.300 0.078 0.000 0.823 529 V CB 1.080 32.958 31.823 0.091 0.000 1.009 529 V HN 0.901 nan 8.190 nan 0.000 0.436 530 A N 6.133 129.027 122.820 0.125 0.000 2.324 530 A HA 0.869 5.189 4.320 0.000 0.000 0.330 530 A C -0.817 176.841 177.584 0.123 0.000 1.165 530 A CA -0.562 51.535 52.037 0.100 0.000 0.813 530 A CB 1.841 20.875 19.000 0.058 0.000 1.197 530 A HN 0.927 nan 8.150 nan 0.000 0.484 531 V N 1.738 121.693 119.914 0.069 0.000 2.448 531 V HA 0.378 4.498 4.120 0.000 0.000 0.295 531 V C 0.719 176.812 176.094 -0.003 0.000 1.025 531 V CA -0.544 61.755 62.300 -0.001 0.000 0.859 531 V CB 1.681 33.456 31.823 -0.080 0.000 0.988 531 V HN 0.964 nan 8.190 nan 0.000 0.431 532 S N 6.542 122.242 115.700 0.000 0.000 2.537 532 S HA 0.178 4.649 4.470 0.000 0.000 0.286 532 S C -0.928 173.672 174.600 0.001 0.000 1.299 532 S CA -0.831 57.374 58.200 0.008 0.000 1.067 532 S CB 0.851 64.061 63.200 0.018 0.000 0.864 532 S HN 0.698 nan 8.310 nan 0.000 0.494 533 P HA -0.005 nan 4.420 nan 0.000 0.230 533 P C 0.877 178.185 177.300 0.014 0.000 1.158 533 P CA 0.845 63.943 63.100 -0.004 0.000 0.769 533 P CB -0.256 31.441 31.700 -0.005 0.000 0.807 534 T N -5.469 109.101 114.554 0.027 0.000 3.054 534 T HA 0.129 4.479 4.350 0.000 0.000 0.255 534 T C 0.877 175.615 174.700 0.063 0.000 1.035 534 T CA -0.243 61.883 62.100 0.043 0.000 0.941 534 T CB -0.522 68.364 68.868 0.031 0.000 1.026 534 T HN -0.029 nan 8.240 nan 0.000 0.533 535 S N 1.525 117.264 115.700 0.066 0.000 2.552 535 S HA 0.048 4.518 4.470 0.000 0.000 0.289 535 S C 1.125 175.818 174.600 0.156 0.000 1.304 535 S CA -0.372 57.878 58.200 0.084 0.000 1.063 535 S CB 0.515 63.750 63.200 0.059 0.000 0.848 535 S HN 0.316 nan 8.310 nan 0.000 0.499 536 Q N 3.253 123.127 119.800 0.124 0.000 2.392 536 Q HA 0.184 4.524 4.340 0.000 0.000 0.203 536 Q C 1.492 177.595 176.000 0.172 0.000 0.917 536 Q CA 0.371 56.221 55.803 0.080 0.000 0.939 536 Q CB 0.172 28.959 28.738 0.082 0.000 1.063 536 Q HN 0.622 nan 8.270 nan 0.000 0.516 537 R N -0.686 119.933 120.500 0.198 0.000 2.142 537 R HA 0.197 4.538 4.340 0.000 0.000 0.204 537 R C 0.193 176.598 176.300 0.174 0.000 1.059 537 R CA 0.241 56.451 56.100 0.183 0.000 1.055 537 R CB 0.481 30.809 30.300 0.047 0.000 0.976 537 R HN 0.048 nan 8.270 nan 0.000 0.483 538 L N 1.963 123.242 121.223 0.093 0.000 2.325 538 L HA 0.472 4.813 4.340 0.000 0.000 0.281 538 L C -0.394 176.436 176.870 -0.067 0.000 1.004 538 L CA -0.317 54.486 54.840 -0.062 0.000 0.823 538 L CB 1.495 43.399 42.059 -0.259 0.000 1.236 538 L HN 0.108 nan 8.230 nan 0.000 0.415 539 Q N 2.844 122.553 119.800 -0.152 0.000 2.315 539 Q HA 0.513 4.853 4.340 0.000 0.000 0.273 539 Q C -1.418 174.450 176.000 -0.221 0.000 1.053 539 Q CA -0.708 54.953 55.803 -0.236 0.000 0.817 539 Q CB 2.603 31.019 28.738 -0.536 0.000 1.326 539 Q HN 0.536 nan 8.270 nan 0.000 0.423 540 L N 3.151 124.264 121.223 -0.184 0.000 2.461 540 L HA 0.189 4.529 4.340 0.000 0.000 0.272 540 L C -0.114 176.645 176.870 -0.185 0.000 1.197 540 L CA -0.152 54.598 54.840 -0.150 0.000 0.836 540 L CB 0.319 42.313 42.059 -0.107 0.000 1.105 540 L HN 0.556 nan 8.230 nan 0.000 0.477 541 L N 3.323 124.438 121.223 -0.180 0.000 2.278 541 L HA 0.182 4.522 4.340 0.000 0.000 0.287 541 L C 0.534 177.251 176.870 -0.255 0.000 1.072 541 L CA 0.039 54.733 54.840 -0.244 0.000 0.819 541 L CB 0.595 42.509 42.059 -0.242 0.000 1.176 541 L HN 0.549 nan 8.230 nan 0.000 0.435 542 E N 6.268 126.299 120.200 -0.281 0.000 2.259 542 E HA 0.203 4.553 4.350 0.000 0.000 0.281 542 E C -2.060 174.349 176.600 -0.319 0.000 1.037 542 E CA -1.671 54.594 56.400 -0.226 0.000 0.854 542 E CB 1.016 30.622 29.700 -0.158 0.000 1.051 542 E HN 0.306 nan 8.360 nan 0.000 0.409 543 P HA -0.066 nan 4.420 nan 0.000 0.264 543 P C -0.431 176.769 177.300 -0.167 0.000 1.179 543 P CA 0.417 63.383 63.100 -0.222 0.000 0.763 543 P CB 0.183 31.823 31.700 -0.100 0.000 0.806 544 F N 1.741 121.686 119.950 -0.008 0.000 2.450 544 F HA 0.068 4.595 4.527 0.000 0.000 0.339 544 F C 1.678 177.478 175.800 -0.000 0.000 1.146 544 F CA -0.223 57.782 58.000 0.007 0.000 1.267 544 F CB -0.072 38.934 39.000 0.009 0.000 1.178 544 F HN 0.364 nan 8.300 nan 0.000 0.585 545 D N 1.656 122.188 120.400 0.220 0.000 2.419 545 D HA 0.010 4.650 4.640 0.000 0.000 0.236 545 D C -0.368 175.980 176.300 0.080 0.000 1.165 545 D CA -0.250 53.815 54.000 0.107 0.000 0.882 545 D CB 0.645 41.491 40.800 0.077 0.000 1.201 545 D HN 0.543 nan 8.370 nan 0.000 0.443 546 K N 0.753 121.179 120.400 0.043 0.000 2.090 546 K HA 0.234 4.554 4.320 0.000 0.000 0.250 546 K C -0.686 175.935 176.600 0.035 0.000 1.004 546 K CA -1.007 55.299 56.287 0.032 0.000 0.919 546 K CB 0.639 33.150 32.500 0.018 0.000 1.045 546 K HN 0.517 nan 8.250 nan 0.000 0.471 547 W N 4.101 125.266 121.300 -0.225 0.000 2.253 547 W HA 0.052 4.712 4.660 0.000 0.000 0.322 547 W C 0.182 176.601 176.519 -0.167 0.000 1.342 547 W CA -0.448 56.722 57.345 -0.293 0.000 1.218 547 W CB 0.465 29.597 29.460 -0.548 0.000 1.205 547 W HN 0.743 nan 8.180 nan 0.000 0.551 548 D N 2.739 122.871 120.400 -0.447 0.000 2.363 548 D HA 0.092 4.732 4.640 0.000 0.000 0.226 548 D C 1.726 177.505 176.300 -0.869 0.000 1.020 548 D CA 0.672 54.372 54.000 -0.501 0.000 0.892 548 D CB -0.307 40.333 40.800 -0.267 0.000 0.900 548 D HN 0.755 nan 8.370 nan 0.000 0.531 549 G N -0.666 106.983 108.800 -1.918 0.000 2.205 549 G HA2 -0.293 3.667 3.960 0.000 0.000 0.261 549 G HA3 -0.293 3.667 3.960 0.000 0.000 0.261 549 G C 0.411 174.684 174.900 -1.045 0.000 0.980 549 G CA 0.340 44.341 45.100 -1.833 0.000 0.632 549 G HN 0.450 nan 8.290 nan 0.000 0.533 550 K N 0.983 121.023 120.400 -0.601 0.000 2.139 550 K HA 0.487 4.807 4.320 0.000 0.000 0.243 550 K C 0.007 176.728 176.600 0.202 0.000 0.983 550 K CA -0.661 55.553 56.287 -0.123 0.000 0.890 550 K CB 0.753 33.177 32.500 -0.127 0.000 1.090 550 K HN 0.118 nan 8.250 nan 0.000 0.445 551 D N 1.013 121.502 120.400 0.149 0.000 2.371 551 D HA 0.139 4.779 4.640 0.000 0.000 0.242 551 D C 0.008 176.368 176.300 0.099 0.000 1.218 551 D CA -0.041 54.043 54.000 0.140 0.000 0.945 551 D CB 0.546 41.377 40.800 0.051 0.000 1.137 551 D HN 0.246 nan 8.370 nan 0.000 0.464 552 L N 1.691 122.940 121.223 0.044 0.000 2.314 552 L HA 0.176 4.516 4.340 0.000 0.000 0.275 552 L C 0.218 177.080 176.870 -0.014 0.000 1.068 552 L CA -0.608 54.241 54.840 0.015 0.000 0.894 552 L CB 0.246 42.292 42.059 -0.021 0.000 1.275 552 L HN 0.049 nan 8.230 nan 0.000 0.432 553 E N 2.632 122.829 120.200 -0.006 0.000 2.266 553 E HA 0.128 4.478 4.350 0.000 0.000 0.277 553 E C -0.146 176.442 176.600 -0.020 0.000 1.018 553 E CA -0.547 55.843 56.400 -0.015 0.000 0.840 553 E CB 1.139 30.833 29.700 -0.011 0.000 1.082 553 E HN 0.393 nan 8.360 nan 0.000 0.395 554 D N 1.297 121.681 120.400 -0.026 0.000 2.708 554 D HA -0.190 4.450 4.640 0.000 0.000 0.236 554 D C -0.358 175.921 176.300 -0.034 0.000 1.146 554 D CA 0.618 54.600 54.000 -0.030 0.000 0.662 554 D CB -0.931 39.854 40.800 -0.024 0.000 1.059 554 D HN 0.378 nan 8.370 nan 0.000 0.428 555 L N 0.274 121.477 121.223 -0.032 0.000 2.453 555 L HA 0.067 4.407 4.340 0.000 0.000 0.272 555 L C 1.102 177.954 176.870 -0.030 0.000 1.182 555 L CA 0.201 55.027 54.840 -0.022 0.000 0.858 555 L CB 0.427 42.476 42.059 -0.017 0.000 1.120 555 L HN -0.004 nan 8.230 nan 0.000 0.474 556 Q N 3.212 122.987 119.800 -0.042 0.000 2.259 556 Q HA 0.380 4.721 4.340 0.000 0.000 0.249 556 Q C -0.725 175.279 176.000 0.006 0.000 0.914 556 Q CA 0.004 55.745 55.803 -0.104 0.000 0.904 556 Q CB 1.121 29.651 28.738 -0.347 0.000 1.213 556 Q HN 0.476 nan 8.270 nan 0.000 0.428 557 I N 5.764 126.333 120.570 -0.001 0.000 2.322 557 I HA 0.001 4.171 4.170 0.000 0.000 0.292 557 I C 0.831 176.984 176.117 0.061 0.000 1.060 557 I CA -0.300 61.031 61.300 0.052 0.000 1.309 557 I CB 0.715 38.727 38.000 0.020 0.000 1.415 557 I HN 0.757 nan 8.210 nan 0.000 0.492 558 L N 8.484 129.754 121.223 0.078 0.000 1.976 558 L HA 0.153 4.493 4.340 0.000 0.000 0.209 558 L C 0.465 177.305 176.870 -0.049 0.000 1.071 558 L CA 1.976 56.784 54.840 -0.053 0.000 0.746 558 L CB 0.137 41.909 42.059 -0.479 0.000 0.890 558 L HN 0.551 nan 8.230 nan 0.000 0.432 559 I N -0.909 119.653 120.570 -0.014 0.000 2.752 559 I HA 0.240 4.410 4.170 0.000 0.000 0.295 559 I C -1.039 175.104 176.117 0.044 0.000 1.219 559 I CA -0.860 60.449 61.300 0.014 0.000 1.030 559 I CB 1.573 39.581 38.000 0.013 0.000 1.259 559 I HN -0.038 nan 8.210 nan 0.000 0.423 560 K N 7.008 127.428 120.400 0.033 0.000 2.281 560 K HA 0.526 4.846 4.320 0.000 0.000 0.272 560 K C -1.531 175.115 176.600 0.077 0.000 1.048 560 K CA -0.496 55.803 56.287 0.021 0.000 0.898 560 K CB 1.198 33.662 32.500 -0.060 0.000 1.128 560 K HN 0.485 nan 8.250 nan 0.000 0.460 561 V N 4.583 124.583 119.914 0.144 0.000 2.546 561 V HA 0.195 4.315 4.120 0.000 0.000 0.284 561 V C 0.162 176.376 176.094 0.200 0.000 1.050 561 V CA -0.544 61.850 62.300 0.157 0.000 0.981 561 V CB 1.296 33.230 31.823 0.186 0.000 0.990 561 V HN 0.691 nan 8.190 nan 0.000 0.474 562 K N 3.293 123.770 120.400 0.129 0.000 2.240 562 K HA 0.575 4.895 4.320 0.000 0.000 0.271 562 K C 0.603 177.217 176.600 0.023 0.000 1.018 562 K CA 0.674 57.033 56.287 0.120 0.000 0.874 562 K CB 0.952 33.505 32.500 0.088 0.000 1.098 562 K HN 1.031 nan 8.250 nan 0.000 0.458 563 G N 3.580 112.377 108.800 -0.005 0.000 2.512 563 G HA2 -0.322 3.639 3.960 0.000 0.000 0.254 563 G HA3 -0.322 3.639 3.960 0.000 0.000 0.254 563 G C -0.667 174.166 174.900 -0.112 0.000 1.199 563 G CA -0.093 44.966 45.100 -0.068 0.000 0.941 563 G HN 0.706 nan 8.290 nan 0.000 0.569 564 K N -0.171 120.134 120.400 -0.158 0.000 2.402 564 K HA 0.387 4.707 4.320 0.000 0.000 0.285 564 K C -0.430 175.893 176.600 -0.461 0.000 1.054 564 K CA 0.297 56.440 56.287 -0.239 0.000 1.001 564 K CB -0.246 32.137 32.500 -0.194 0.000 0.946 564 K HN 0.807 nan 8.250 nan 0.000 0.473 565 C N 6.056 125.124 119.300 -0.387 0.000 2.521 565 C HA 0.306 4.766 4.460 0.000 0.000 0.291 565 C C 0.356 175.104 174.990 -0.403 0.000 1.074 565 C CA -0.477 58.258 59.018 -0.472 0.000 1.495 565 C CB -0.709 26.867 27.740 -0.274 0.000 1.862 565 C HN 0.991 nan 8.230 nan 0.000 0.418 566 T N 1.078 115.502 114.554 -0.216 0.000 2.788 566 T HA 0.255 4.605 4.350 0.000 0.000 0.280 566 T C 1.348 175.949 174.700 -0.164 0.000 0.984 566 T CA 0.529 62.499 62.100 -0.217 0.000 0.972 566 T CB 0.936 69.518 68.868 -0.477 0.000 1.039 566 T HN 0.667 nan 8.240 nan 0.000 0.530 567 T N -1.821 112.651 114.554 -0.138 0.000 3.035 567 T HA -0.025 4.325 4.350 0.000 0.000 0.268 567 T C 1.258 175.928 174.700 -0.050 0.000 1.109 567 T CA 0.733 62.755 62.100 -0.129 0.000 1.119 567 T CB -0.342 68.490 68.868 -0.061 0.000 0.900 567 T HN 0.630 nan 8.240 nan 0.000 0.503 568 D N 0.927 121.314 120.400 -0.021 0.000 2.317 568 D HA -0.018 4.622 4.640 0.000 0.000 0.211 568 D C 1.538 177.737 176.300 -0.170 0.000 0.966 568 D CA 0.820 54.795 54.000 -0.042 0.000 0.876 568 D CB 0.008 40.829 40.800 0.036 0.000 0.927 568 D HN 0.573 nan 8.370 nan 0.000 0.519 569 H N -0.213 118.800 119.070 -0.094 0.000 2.465 569 H HA 0.159 4.715 4.556 0.000 0.000 0.289 569 H C 2.109 177.382 175.328 -0.091 0.000 1.022 569 H CA 0.496 56.490 56.048 -0.090 0.000 1.340 569 H CB 0.375 30.060 29.762 -0.128 0.000 1.437 569 H HN 0.094 nan 8.280 nan 0.000 0.539 570 I N -1.239 119.323 120.570 -0.013 0.000 2.339 570 I HA -0.059 4.111 4.170 0.000 0.000 0.245 570 I C 0.676 176.773 176.117 -0.034 0.000 1.096 570 I CA 0.763 62.051 61.300 -0.020 0.000 1.408 570 I CB 0.296 38.248 38.000 -0.081 0.000 1.092 570 I HN 0.013 nan 8.210 nan 0.000 0.423 571 S N 1.021 116.688 115.700 -0.055 0.000 2.279 571 S HA 0.629 5.099 4.470 0.000 0.000 0.176 571 S C -0.122 174.422 174.600 -0.093 0.000 1.554 571 S CA -0.774 57.374 58.200 -0.087 0.000 1.242 571 S CB 0.029 63.231 63.200 0.002 0.000 1.163 571 S HN 0.249 nan 8.310 nan 0.000 0.449 572 A N 2.918 125.648 122.820 -0.151 0.000 2.583 572 A HA 0.604 4.924 4.320 0.000 0.000 0.231 572 A C 1.121 178.764 177.584 0.099 0.000 1.065 572 A CA 0.643 52.660 52.037 -0.033 0.000 0.760 572 A CB -0.206 18.795 19.000 0.002 0.000 1.001 572 A HN 1.181 nan 8.150 nan 0.000 0.509 573 A N 1.240 124.173 122.820 0.188 0.000 3.699 573 A HA 0.797 5.117 4.320 0.000 0.000 0.167 573 A C 1.743 179.496 177.584 0.282 0.000 1.780 573 A CA 0.745 52.915 52.037 0.221 0.000 1.483 573 A CB -0.975 18.121 19.000 0.159 0.000 1.720 573 A HN 2.817 nan 8.150 nan 0.000 0.671 574 G N -0.536 108.375 108.800 0.184 0.000 2.596 574 G HA2 -0.277 3.683 3.960 0.000 0.000 0.304 574 G HA3 -0.277 3.683 3.960 0.000 0.000 0.304 574 G C -0.827 174.106 174.900 0.055 0.000 1.189 574 G CA 0.798 45.977 45.100 0.132 0.000 0.986 574 G HN 0.799 nan 8.290 nan 0.000 0.548 575 P HA -0.041 nan 4.420 nan 0.000 0.226 575 P C 1.260 178.338 177.300 -0.370 0.000 1.153 575 P CA 1.991 64.923 63.100 -0.279 0.000 0.777 575 P CB -0.207 31.250 31.700 -0.407 0.000 0.794 576 W N -0.021 121.290 121.300 0.019 0.000 2.678 576 W HA 0.124 4.784 4.660 0.000 0.000 0.256 576 W C 2.247 178.770 176.519 0.006 0.000 1.280 576 W CA -0.102 57.284 57.345 0.069 0.000 1.345 576 W CB -0.807 28.712 29.460 0.098 0.000 1.118 576 W HN -0.171 nan 8.180 nan 0.000 0.629 577 L N 1.269 122.571 121.223 0.131 0.000 2.265 577 L HA -0.198 4.142 4.340 0.000 0.000 0.215 577 L C 2.405 179.256 176.870 -0.032 0.000 1.117 577 L CA 1.309 56.183 54.840 0.057 0.000 0.782 577 L CB -0.820 41.277 42.059 0.064 0.000 0.914 577 L HN 0.129 nan 8.230 nan 0.000 0.441 578 K N 0.080 120.358 120.400 -0.203 0.000 2.442 578 K HA -0.125 4.195 4.320 0.000 0.000 0.198 578 K C 1.019 177.390 176.600 -0.382 0.000 1.042 578 K CA 1.332 57.398 56.287 -0.369 0.000 0.958 578 K CB -0.204 31.927 32.500 -0.615 0.000 0.766 578 K HN 0.245 nan 8.250 nan 0.000 0.474 579 F N 0.755 120.753 119.950 0.080 0.000 2.708 579 F HA 0.338 4.865 4.527 0.000 0.000 0.300 579 F C 1.410 177.298 175.800 0.148 0.000 1.118 579 F CA -1.051 57.018 58.000 0.115 0.000 1.307 579 F CB 0.555 39.655 39.000 0.165 0.000 0.986 579 F HN -0.164 nan 8.300 nan 0.000 0.522 580 R N 0.308 120.946 120.500 0.229 0.000 2.235 580 R HA 0.039 4.380 4.340 0.000 0.000 0.213 580 R C 2.022 178.499 176.300 0.294 0.000 1.059 580 R CA 0.810 57.016 56.100 0.177 0.000 0.997 580 R CB -0.623 29.699 30.300 0.036 0.000 0.884 580 R HN 0.376 nan 8.270 nan 0.000 0.462 581 G N -0.791 108.140 108.800 0.218 0.000 3.042 581 G HA2 -0.109 3.851 3.960 0.000 0.000 0.212 581 G HA3 -0.109 3.851 3.960 0.000 0.000 0.212 581 G C 0.143 175.136 174.900 0.155 0.000 1.166 581 G CA -0.042 45.140 45.100 0.137 0.000 0.767 581 G HN 0.187 nan 8.290 nan 0.000 0.546 582 H N 0.669 119.822 119.070 0.139 0.000 2.866 582 H HA 0.266 4.822 4.556 0.000 0.000 0.287 582 H C 0.649 176.022 175.328 0.076 0.000 1.106 582 H CA -0.855 55.243 56.048 0.083 0.000 1.396 582 H CB 1.409 31.236 29.762 0.109 0.000 1.469 582 H HN -0.014 nan 8.280 nan 0.000 0.500 583 L N 3.834 125.097 121.223 0.067 0.000 2.127 583 L HA -0.113 4.227 4.340 0.000 0.000 0.211 583 L C 1.739 178.654 176.870 0.074 0.000 1.089 583 L CA 2.085 56.952 54.840 0.045 0.000 0.757 583 L CB -0.308 41.655 42.059 -0.160 0.000 0.899 583 L HN 0.602 nan 8.230 nan 0.000 0.434 584 D N -1.400 119.061 120.400 0.101 0.000 2.194 584 D HA -0.141 4.499 4.640 0.000 0.000 0.204 584 D C 1.856 178.287 176.300 0.218 0.000 0.964 584 D CA 1.223 55.371 54.000 0.247 0.000 0.846 584 D CB -0.011 40.939 40.800 0.249 0.000 0.962 584 D HN 0.499 nan 8.370 nan 0.000 0.490 585 N N -0.457 118.338 118.700 0.159 0.000 2.270 585 N HA -0.009 4.731 4.740 0.000 0.000 0.181 585 N C 1.771 177.230 175.510 -0.085 0.000 1.016 585 N CA 0.275 53.148 53.050 -0.296 0.000 0.870 585 N CB 0.249 38.057 38.487 -1.132 0.000 0.979 585 N HN 0.193 nan 8.380 nan 0.000 0.431 586 I N 0.364 121.029 120.570 0.158 0.000 2.617 586 I HA -0.099 4.071 4.170 0.000 0.000 0.256 586 I C 1.328 177.506 176.117 0.102 0.000 1.167 586 I CA 0.642 62.114 61.300 0.286 0.000 1.469 586 I CB 0.124 38.334 38.000 0.351 0.000 1.098 586 I HN 0.027 nan 8.210 nan 0.000 0.436 587 S N 1.376 117.165 115.700 0.147 0.000 2.493 587 S HA -0.121 4.349 4.470 0.000 0.000 0.243 587 S C 1.426 176.042 174.600 0.027 0.000 0.991 587 S CA 0.775 59.057 58.200 0.136 0.000 0.957 587 S CB -0.467 62.913 63.200 0.299 0.000 0.756 587 S HN 0.524 nan 8.310 nan 0.000 0.521 588 N N 2.598 121.298 118.700 0.000 0.000 2.550 588 N HA -0.040 4.700 4.740 0.000 0.000 0.186 588 N C 0.998 176.358 175.510 -0.250 0.000 1.110 588 N CA 0.530 53.572 53.050 -0.013 0.000 0.912 588 N CB -0.390 38.209 38.487 0.186 0.000 0.968 588 N HN 0.802 nan 8.380 nan 0.000 0.448 589 N N -0.016 118.294 118.700 -0.650 0.000 2.230 589 N HA 0.004 4.744 4.740 0.000 0.000 0.202 589 N C 0.020 175.318 175.510 -0.353 0.000 1.119 589 N CA -0.418 52.146 53.050 -0.809 0.000 0.851 589 N CB 0.192 37.688 38.487 -1.653 0.000 0.990 589 N HN -0.076 nan 8.380 nan 0.000 0.497 590 L N 2.221 123.340 121.223 -0.175 0.000 2.562 590 L HA 0.047 4.387 4.340 0.000 0.000 0.271 590 L C 0.555 177.399 176.870 -0.043 0.000 1.167 590 L CA 0.558 55.366 54.840 -0.053 0.000 0.917 590 L CB -0.485 41.595 42.059 0.035 0.000 1.187 590 L HN 0.291 nan 8.230 nan 0.000 0.482 591 L N 4.676 125.890 121.223 -0.015 0.000 3.976 591 L HA -0.324 4.016 4.340 0.000 0.000 0.418 591 L C 1.533 178.406 176.870 0.006 0.000 1.177 591 L CA 0.895 55.746 54.840 0.018 0.000 0.968 591 L CB -1.512 40.577 42.059 0.050 0.000 1.933 591 L HN 0.844 nan 8.230 nan 0.000 0.976 592 I N -4.086 116.467 120.570 -0.028 0.000 2.567 592 I HA -0.032 4.138 4.170 0.000 0.000 0.257 592 I C 2.019 178.156 176.117 0.033 0.000 1.184 592 I CA 1.726 63.023 61.300 -0.004 0.000 1.451 592 I CB -0.412 37.581 38.000 -0.011 0.000 1.089 592 I HN 0.236 nan 8.210 nan 0.000 0.441 593 G N 0.824 109.650 108.800 0.043 0.000 2.887 593 G HA2 0.442 4.402 3.960 0.000 0.000 0.211 593 G HA3 0.442 4.402 3.960 0.000 0.000 0.211 593 G C 0.839 175.870 174.900 0.218 0.000 1.152 593 G CA 0.288 45.447 45.100 0.099 0.000 0.769 593 G HN 0.556 nan 8.290 nan 0.000 0.541 594 A N 1.117 124.028 122.820 0.151 0.000 2.511 594 A HA 0.438 4.758 4.320 0.000 0.000 0.242 594 A C 0.260 177.879 177.584 0.060 0.000 1.069 594 A CA -0.104 51.984 52.037 0.084 0.000 0.763 594 A CB 0.195 19.241 19.000 0.077 0.000 1.001 594 A HN 0.139 nan 8.150 nan 0.000 0.498 595 I N 3.069 123.649 120.570 0.017 0.000 2.379 595 I HA 0.035 4.205 4.170 0.000 0.000 0.290 595 I C 0.590 176.734 176.117 0.046 0.000 1.063 595 I CA -0.200 61.115 61.300 0.026 0.000 1.351 595 I CB -0.098 37.901 38.000 -0.002 0.000 1.410 595 I HN 0.687 nan 8.210 nan 0.000 0.505 596 N N 6.042 124.776 118.700 0.057 0.000 2.475 596 N HA 0.050 4.790 4.740 0.000 0.000 0.267 596 N C 0.943 176.494 175.510 0.068 0.000 1.169 596 N CA 0.120 53.213 53.050 0.071 0.000 0.947 596 N CB 0.905 39.447 38.487 0.091 0.000 1.061 596 N HN 0.661 nan 8.380 nan 0.000 0.466 597 I N 2.853 123.466 120.570 0.072 0.000 2.286 597 I HA -0.225 3.945 4.170 0.000 0.000 0.248 597 I C 1.948 178.103 176.117 0.063 0.000 1.115 597 I CA 1.303 62.645 61.300 0.069 0.000 1.392 597 I CB 0.013 38.053 38.000 0.066 0.000 1.065 597 I HN 0.758 nan 8.210 nan 0.000 0.418 598 E N 1.449 121.696 120.200 0.078 0.000 2.070 598 E HA -0.308 4.042 4.350 0.000 0.000 0.197 598 E C 1.230 177.867 176.600 0.062 0.000 1.004 598 E CA 2.184 58.639 56.400 0.092 0.000 0.805 598 E CB -0.035 29.758 29.700 0.155 0.000 0.744 598 E HN 0.757 nan 8.360 nan 0.000 0.451 599 N N -1.217 117.512 118.700 0.049 0.000 2.159 599 N HA 0.076 4.816 4.740 0.000 0.000 0.217 599 N C -0.472 175.031 175.510 -0.011 0.000 1.223 599 N CA 0.068 53.108 53.050 -0.017 0.000 0.896 599 N CB 0.334 38.762 38.487 -0.098 0.000 1.064 599 N HN -0.032 nan 8.380 nan 0.000 0.518 600 R N 0.007 120.518 120.500 0.017 0.000 3.322 600 R HA -0.195 4.145 4.340 0.000 0.000 0.253 600 R C -1.006 175.300 176.300 0.010 0.000 0.987 600 R CA 0.825 56.935 56.100 0.016 0.000 0.666 600 R CB -1.859 28.447 30.300 0.009 0.000 1.072 600 R HN 0.466 nan 8.270 nan 0.000 0.447 601 K N -0.061 120.351 120.400 0.019 0.000 2.203 601 K HA 0.708 5.028 4.320 0.000 0.000 0.251 601 K C -0.119 176.506 176.600 0.041 0.000 0.944 601 K CA -0.459 55.841 56.287 0.021 0.000 0.829 601 K CB 1.935 34.442 32.500 0.011 0.000 1.125 601 K HN 0.187 nan 8.250 nan 0.000 0.430 602 A N 2.069 124.915 122.820 0.043 0.000 2.363 602 A HA 0.208 4.528 4.320 0.000 0.000 0.270 602 A C 0.426 178.042 177.584 0.053 0.000 1.121 602 A CA -0.020 52.051 52.037 0.055 0.000 0.800 602 A CB -0.048 18.991 19.000 0.064 0.000 1.052 602 A HN 0.925 nan 8.150 nan 0.000 0.493 603 N N -0.216 118.513 118.700 0.049 0.000 2.735 603 N HA -0.187 4.553 4.740 0.000 0.000 0.248 603 N C -0.416 175.125 175.510 0.051 0.000 1.083 603 N CA 1.319 54.393 53.050 0.039 0.000 0.703 603 N CB -1.199 37.313 38.487 0.041 0.000 1.005 603 N HN 1.393 nan 8.380 nan 0.000 0.550 604 S N -1.938 113.812 115.700 0.083 0.000 2.720 604 S HA 0.662 5.132 4.470 0.000 0.000 0.278 604 S C -0.388 174.363 174.600 0.251 0.000 1.172 604 S CA -0.201 58.089 58.200 0.150 0.000 1.019 604 S CB 1.467 64.777 63.200 0.183 0.000 1.049 604 S HN 0.774 nan 8.310 nan 0.000 0.483 605 V N 0.484 120.472 119.914 0.124 0.000 2.960 605 V HA 0.686 4.806 4.120 0.000 0.000 0.315 605 V C 0.162 175.998 176.094 -0.430 0.000 1.087 605 V CA -1.411 60.877 62.300 -0.020 0.000 0.982 605 V CB 1.718 33.487 31.823 -0.089 0.000 1.039 605 V HN 1.071 nan 8.190 nan 0.000 0.437 606 R N 2.953 122.931 120.500 -0.870 0.000 2.370 606 R HA 0.157 4.498 4.340 0.000 0.000 0.309 606 R C -0.016 175.974 176.300 -0.518 0.000 1.059 606 R CA -0.179 55.210 56.100 -1.185 0.000 0.981 606 R CB 0.228 29.917 30.300 -1.018 0.000 0.972 606 R HN 0.962 nan 8.270 nan 0.000 0.437 607 N N 3.410 121.843 118.700 -0.446 0.000 2.470 607 N HA 0.009 4.750 4.740 0.000 0.000 0.268 607 N C 0.336 175.732 175.510 -0.191 0.000 1.136 607 N CA 0.321 53.172 53.050 -0.332 0.000 0.961 607 N CB 1.658 39.854 38.487 -0.485 0.000 1.067 607 N HN 0.685 nan 8.380 nan 0.000 0.468 608 A N 3.622 126.461 122.820 0.031 0.000 2.015 608 A HA -0.034 4.287 4.320 0.000 0.000 0.219 608 A C 1.899 179.474 177.584 -0.015 0.000 1.163 608 A CA 1.066 53.107 52.037 0.006 0.000 0.646 608 A CB -0.073 18.932 19.000 0.009 0.000 0.806 608 A HN 0.537 nan 8.150 nan 0.000 0.448 609 V N -0.241 119.660 119.914 -0.022 0.000 2.426 609 V HA -0.114 4.006 4.120 0.000 0.000 0.242 609 V C 2.791 178.828 176.094 -0.095 0.000 1.036 609 V CA 2.168 64.454 62.300 -0.024 0.000 1.044 609 V CB -0.783 31.088 31.823 0.079 0.000 0.688 609 V HN 0.761 nan 8.190 nan 0.000 0.462 610 T N -3.717 110.706 114.554 -0.218 0.000 3.067 610 T HA -0.036 4.315 4.350 0.000 0.000 0.257 610 T C 0.989 175.614 174.700 -0.125 0.000 1.105 610 T CA 0.230 62.226 62.100 -0.173 0.000 1.104 610 T CB 0.027 68.741 68.868 -0.257 0.000 0.925 610 T HN 0.360 nan 8.240 nan 0.000 0.498 611 Q N 0.435 120.147 119.800 -0.146 0.000 2.481 611 Q HA -0.125 4.216 4.340 0.000 0.000 0.272 611 Q C -0.849 175.101 176.000 -0.083 0.000 1.157 611 Q CA 0.877 56.610 55.803 -0.117 0.000 0.935 611 Q CB -1.553 27.156 28.738 -0.050 0.000 1.338 611 Q HN 0.648 nan 8.270 nan 0.000 0.494 612 E N -0.135 119.986 120.200 -0.131 0.000 2.151 612 E HA 0.409 4.759 4.350 0.000 0.000 0.275 612 E C -0.102 176.440 176.600 -0.098 0.000 0.936 612 E CA -0.587 55.784 56.400 -0.049 0.000 0.777 612 E CB 0.518 30.179 29.700 -0.065 0.000 1.108 612 E HN 0.041 nan 8.360 nan 0.000 0.401 613 F N 1.024 120.933 119.950 -0.068 0.000 2.429 613 F HA 0.472 4.999 4.527 0.000 0.000 0.348 613 F C 1.351 177.109 175.800 -0.071 0.000 1.109 613 F CA 0.753 58.713 58.000 -0.066 0.000 1.232 613 F CB 1.241 40.215 39.000 -0.043 0.000 1.157 613 F HN 0.473 nan 8.300 nan 0.000 0.564 614 G N 2.327 111.160 108.800 0.055 0.000 2.554 614 G HA2 0.456 4.416 3.960 0.000 0.000 0.306 614 G HA3 0.456 4.416 3.960 0.000 0.000 0.306 614 G C -3.298 171.592 174.900 -0.016 0.000 1.320 614 G CA -1.243 43.865 45.100 0.014 0.000 0.800 614 G HN 0.230 nan 8.290 nan 0.000 0.481 615 P HA 0.192 nan 4.420 nan 0.000 0.264 615 P C 1.174 178.426 177.300 -0.080 0.000 1.183 615 P CA -0.270 62.814 63.100 -0.026 0.000 0.763 615 P CB 1.106 32.803 31.700 -0.006 0.000 0.807 616 V N 6.197 126.065 119.914 -0.077 0.000 2.343 616 V HA -0.135 3.985 4.120 0.000 0.000 0.247 616 V C -0.525 175.475 176.094 -0.156 0.000 1.051 616 V CA 2.203 64.423 62.300 -0.133 0.000 1.036 616 V CB -2.127 29.640 31.823 -0.094 0.000 0.654 616 V HN 0.684 nan 8.190 nan 0.000 0.451 617 P HA -0.122 nan 4.420 nan 0.000 0.216 617 P C 0.828 178.084 177.300 -0.073 0.000 1.153 617 P CA 1.546 64.604 63.100 -0.070 0.000 0.848 617 P CB -0.037 31.643 31.700 -0.033 0.000 0.787 618 D N -0.437 119.921 120.400 -0.070 0.000 2.117 618 D HA -0.109 4.531 4.640 0.000 0.000 0.197 618 D C 1.979 178.200 176.300 -0.131 0.000 0.987 618 D CA 1.511 55.473 54.000 -0.062 0.000 0.829 618 D CB -1.222 39.548 40.800 -0.049 0.000 0.961 618 D HN 0.167 nan 8.370 nan 0.000 0.460 619 T N 0.276 114.677 114.554 -0.256 0.000 2.777 619 T HA -0.071 4.279 4.350 0.000 0.000 0.266 619 T C 2.029 176.375 174.700 -0.591 0.000 1.040 619 T CA 1.350 63.152 62.100 -0.497 0.000 1.141 619 T CB -0.315 68.227 68.868 -0.544 0.000 0.868 619 T HN 0.209 nan 8.240 nan 0.000 0.444 620 A N 1.867 124.445 122.820 -0.404 0.000 1.898 620 A HA -0.090 4.231 4.320 0.000 0.000 0.216 620 A C 2.396 180.003 177.584 0.039 0.000 1.181 620 A CA 1.198 53.065 52.037 -0.282 0.000 0.620 620 A CB -0.436 18.421 19.000 -0.240 0.000 0.819 620 A HN 0.389 nan 8.150 nan 0.000 0.442 621 R N -2.222 118.286 120.500 0.013 0.000 2.075 621 R HA -0.136 4.205 4.340 0.000 0.000 0.232 621 R C 2.154 178.515 176.300 0.101 0.000 1.126 621 R CA 1.604 57.745 56.100 0.068 0.000 0.963 621 R CB -0.544 29.782 30.300 0.043 0.000 0.858 621 R HN 0.684 nan 8.270 nan 0.000 0.435 622 Y N 0.594 120.858 120.300 -0.060 0.000 2.165 622 Y HA -0.279 4.271 4.550 0.000 0.000 0.286 622 Y C 1.802 177.779 175.900 0.129 0.000 1.155 622 Y CA 1.506 59.585 58.100 -0.035 0.000 1.164 622 Y CB -0.371 37.935 38.460 -0.256 0.000 0.978 622 Y HN 0.070 nan 8.280 nan 0.000 0.513 623 Y N 0.005 120.469 120.300 0.273 0.000 2.163 623 Y HA -0.249 4.301 4.550 0.000 0.000 0.288 623 Y C 2.717 178.756 175.900 0.232 0.000 1.136 623 Y CA 1.124 59.386 58.100 0.270 0.000 1.147 623 Y CB -0.249 38.380 38.460 0.281 0.000 0.987 623 Y HN 0.021 nan 8.280 nan 0.000 0.509 624 K N 0.328 120.953 120.400 0.374 0.000 2.063 624 K HA -0.262 4.058 4.320 0.000 0.000 0.208 624 K C 2.148 178.827 176.600 0.131 0.000 1.048 624 K CA 1.522 57.951 56.287 0.237 0.000 0.928 624 K CB -0.155 32.454 32.500 0.182 0.000 0.713 624 K HN 0.187 nan 8.250 nan 0.000 0.442 625 Q N -0.040 119.821 119.800 0.102 0.000 2.369 625 Q HA -0.123 4.217 4.340 0.000 0.000 0.206 625 Q C 0.845 176.741 176.000 -0.174 0.000 0.963 625 Q CA 1.243 57.037 55.803 -0.015 0.000 0.894 625 Q CB 0.146 28.876 28.738 -0.012 0.000 0.965 625 Q HN 0.550 nan 8.270 nan 0.000 0.475 626 H N -1.818 117.194 119.070 -0.095 0.000 2.586 626 H HA 0.172 4.729 4.556 0.000 0.000 0.273 626 H C 0.647 175.977 175.328 0.003 0.000 0.997 626 H CA 0.499 56.497 56.048 -0.084 0.000 1.177 626 H CB 0.836 30.498 29.762 -0.167 0.000 1.471 626 H HN 0.359 nan 8.280 nan 0.000 0.538 627 G N 1.970 110.821 108.800 0.085 0.000 2.176 627 G HA2 -0.268 3.692 3.960 0.000 0.000 0.252 627 G HA3 -0.268 3.692 3.960 0.000 0.000 0.252 627 G C 0.095 175.050 174.900 0.091 0.000 1.024 627 G CA 0.034 45.175 45.100 0.068 0.000 0.755 627 G HN 0.347 nan 8.290 nan 0.000 0.507 628 I N 0.815 121.479 120.570 0.156 0.000 2.306 628 I HA 0.319 4.489 4.170 0.000 0.000 0.288 628 I C 1.064 177.276 176.117 0.157 0.000 1.036 628 I CA -0.745 60.620 61.300 0.109 0.000 1.221 628 I CB 0.738 38.786 38.000 0.081 0.000 1.385 628 I HN 0.061 nan 8.210 nan 0.000 0.472 629 R N 6.984 127.522 120.500 0.065 0.000 2.539 629 R HA 0.389 4.730 4.340 0.000 0.000 0.275 629 R C -0.844 175.504 176.300 0.080 0.000 1.077 629 R CA -0.024 56.080 56.100 0.006 0.000 1.097 629 R CB 1.071 31.346 30.300 -0.043 0.000 1.018 629 R HN 0.659 nan 8.270 nan 0.000 0.483 630 W N 0.771 122.066 121.300 -0.008 0.000 3.042 630 W HA 0.589 5.249 4.660 0.000 0.000 0.342 630 W C -1.509 175.012 176.519 0.004 0.000 1.240 630 W CA -1.104 56.233 57.345 -0.014 0.000 1.166 630 W CB 0.417 29.910 29.460 0.053 0.000 1.469 630 W HN 0.396 nan 8.180 nan 0.000 0.579 631 V N -0.737 119.452 119.914 0.458 0.000 3.040 631 V HA 0.813 4.933 4.120 0.000 0.000 0.312 631 V C -0.986 175.341 176.094 0.388 0.000 1.115 631 V CA -1.103 61.383 62.300 0.310 0.000 0.998 631 V CB 1.078 32.957 31.823 0.093 0.000 1.042 631 V HN 0.452 nan 8.190 nan 0.000 0.433 632 V N 3.343 123.418 119.914 0.268 0.000 2.547 632 V HA 0.553 4.673 4.120 0.000 0.000 0.299 632 V C -0.391 175.723 176.094 0.033 0.000 1.040 632 V CA -0.511 61.886 62.300 0.163 0.000 0.913 632 V CB 1.652 33.575 31.823 0.166 0.000 0.992 632 V HN 0.709 nan 8.190 nan 0.000 0.449 633 I N 3.656 124.247 120.570 0.035 0.000 2.362 633 I HA 0.616 4.786 4.170 0.000 0.000 0.289 633 I C 0.600 176.775 176.117 0.096 0.000 0.994 633 I CA 0.058 61.380 61.300 0.037 0.000 1.158 633 I CB 1.139 39.164 38.000 0.043 0.000 1.315 633 I HN 0.729 nan 8.210 nan 0.000 0.451 634 G N 4.149 112.984 108.800 0.058 0.000 2.511 634 G HA2 0.447 4.407 3.960 0.000 0.000 0.318 634 G HA3 0.447 4.407 3.960 0.000 0.000 0.318 634 G C -0.424 174.621 174.900 0.242 0.000 1.210 634 G CA -0.210 44.963 45.100 0.121 0.000 0.969 634 G HN 0.491 nan 8.290 nan 0.000 0.484 635 D N -0.702 119.780 120.400 0.137 0.000 2.311 635 D HA 0.186 4.826 4.640 0.000 0.000 0.278 635 D C 0.262 176.496 176.300 -0.109 0.000 1.189 635 D CA -0.073 53.843 54.000 -0.139 0.000 1.117 635 D CB 0.534 41.228 40.800 -0.178 0.000 1.168 635 D HN 0.381 nan 8.370 nan 0.000 0.509 636 E N 0.720 120.851 120.200 -0.115 0.000 2.277 636 E HA 0.118 4.468 4.350 0.000 0.000 0.274 636 E C -0.077 176.503 176.600 -0.032 0.000 1.022 636 E CA -0.353 56.003 56.400 -0.074 0.000 0.853 636 E CB 0.825 30.483 29.700 -0.070 0.000 1.086 636 E HN 0.386 nan 8.360 nan 0.000 0.397 637 N N 2.448 121.143 118.700 -0.008 0.000 2.705 637 N HA -0.268 4.472 4.740 0.000 0.000 0.255 637 N C -1.061 174.482 175.510 0.054 0.000 1.008 637 N CA 0.036 53.109 53.050 0.040 0.000 0.742 637 N CB -0.725 37.779 38.487 0.028 0.000 0.906 637 N HN 0.493 nan 8.380 nan 0.000 0.541 638 Y N 0.299 120.550 120.300 -0.083 0.000 2.526 638 Y HA 0.268 4.818 4.550 0.000 0.000 0.330 638 Y C 1.463 177.452 175.900 0.148 0.000 1.156 638 Y CA 1.578 59.656 58.100 -0.036 0.000 1.419 638 Y CB 0.592 38.960 38.460 -0.154 0.000 1.250 638 Y HN 0.345 nan 8.280 nan 0.000 0.540 639 G N 4.018 112.586 108.800 -0.386 0.000 2.132 639 G HA2 -0.292 3.668 3.960 0.000 0.000 0.228 639 G HA3 -0.292 3.668 3.960 0.000 0.000 0.228 639 G C 0.065 174.925 174.900 -0.067 0.000 1.000 639 G CA 0.078 44.998 45.100 -0.300 0.000 0.693 639 G HN 0.850 nan 8.290 nan 0.000 0.515 640 E N 0.051 120.210 120.200 -0.068 0.000 2.467 640 E HA 0.409 4.759 4.350 0.000 0.000 0.264 640 E C 1.285 177.921 176.600 0.060 0.000 1.020 640 E CA 1.367 57.772 56.400 0.008 0.000 0.945 640 E CB 0.185 29.859 29.700 -0.043 0.000 0.942 640 E HN 1.764 nan 8.360 nan 0.000 0.449 641 G N 2.348 111.257 108.800 0.182 0.000 2.464 641 G HA2 -0.108 3.853 3.960 0.000 0.000 0.216 641 G HA3 -0.108 3.853 3.960 0.000 0.000 0.216 641 G C -0.186 174.808 174.900 0.156 0.000 1.186 641 G CA -0.100 45.176 45.100 0.293 0.000 1.010 641 G HN 1.062 nan 8.290 nan 0.000 0.585 642 A N -0.150 122.773 122.820 0.172 0.000 2.586 642 A HA 0.517 4.837 4.320 0.000 0.000 0.231 642 A C 1.818 179.459 177.584 0.094 0.000 1.055 642 A CA 1.765 53.868 52.037 0.111 0.000 0.756 642 A CB 0.112 19.189 19.000 0.128 0.000 0.988 642 A HN 2.393 nan 8.150 nan 0.000 0.509 643 S N 1.662 117.413 115.700 0.085 0.000 2.593 643 S HA -0.015 4.455 4.470 0.000 0.000 0.217 643 S C 0.853 175.537 174.600 0.140 0.000 0.966 643 S CA 0.179 58.443 58.200 0.106 0.000 0.914 643 S CB -0.348 62.898 63.200 0.077 0.000 0.776 643 S HN 0.875 nan 8.310 nan 0.000 0.523 644 R N 2.117 122.704 120.500 0.146 0.000 2.584 644 R HA -0.090 4.250 4.340 0.000 0.000 0.315 644 R C 0.669 177.134 176.300 0.275 0.000 0.863 644 R CA 0.909 57.144 56.100 0.224 0.000 1.139 644 R CB -0.354 30.060 30.300 0.191 0.000 0.880 644 R HN 0.689 nan 8.270 nan 0.000 0.413 645 E N 2.285 122.632 120.200 0.245 0.000 2.516 645 E HA -0.170 4.181 4.350 0.000 0.000 0.199 645 E C 0.264 176.938 176.600 0.123 0.000 1.069 645 E CA 0.810 57.298 56.400 0.147 0.000 0.876 645 E CB -0.133 29.593 29.700 0.043 0.000 0.843 645 E HN 0.814 nan 8.360 nan 0.000 0.530 646 H N 0.713 119.866 119.070 0.139 0.000 2.456 646 H HA 0.013 4.569 4.556 0.000 0.000 0.296 646 H C 1.959 177.381 175.328 0.157 0.000 1.079 646 H CA 1.396 57.530 56.048 0.144 0.000 1.322 646 H CB -0.023 29.814 29.762 0.124 0.000 1.388 646 H HN 0.101 nan 8.280 nan 0.000 0.538 647 S N -0.479 115.392 115.700 0.284 0.000 2.440 647 S HA -0.141 4.329 4.470 0.000 0.000 0.238 647 S C 2.172 177.001 174.600 0.383 0.000 1.010 647 S CA 0.920 59.265 58.200 0.241 0.000 0.972 647 S CB -0.137 63.121 63.200 0.098 0.000 0.774 647 S HN 0.637 nan 8.310 nan 0.000 0.501 648 A N 0.082 123.108 122.820 0.344 0.000 2.035 648 A HA 0.372 4.692 4.320 0.000 0.000 0.208 648 A C 1.873 179.548 177.584 0.152 0.000 1.206 648 A CA 0.042 52.227 52.037 0.247 0.000 0.773 648 A CB -0.245 18.836 19.000 0.135 0.000 0.878 648 A HN 0.404 nan 8.150 nan 0.000 0.469 649 L N -0.233 121.090 121.223 0.167 0.000 2.093 649 L HA -0.140 4.201 4.340 0.000 0.000 0.208 649 L C 2.442 179.476 176.870 0.273 0.000 1.085 649 L CA 1.380 56.349 54.840 0.214 0.000 0.755 649 L CB -0.343 41.819 42.059 0.172 0.000 0.904 649 L HN 0.447 nan 8.230 nan 0.000 0.435 650 E N -0.046 120.310 120.200 0.261 0.000 2.046 650 E HA -0.141 4.209 4.350 0.000 0.000 0.190 650 E C -0.673 176.103 176.600 0.293 0.000 0.982 650 E CA 0.927 57.503 56.400 0.293 0.000 0.800 650 E CB -0.833 29.012 29.700 0.242 0.000 0.756 650 E HN 0.434 nan 8.360 nan 0.000 0.449 651 P HA -0.204 nan 4.420 nan 0.000 0.216 651 P C 1.278 178.623 177.300 0.074 0.000 1.150 651 P CA 1.330 64.644 63.100 0.357 0.000 0.837 651 P CB 0.108 32.037 31.700 0.382 0.000 0.786 652 R N -0.209 120.265 120.500 -0.043 0.000 2.081 652 R HA -0.161 4.180 4.340 0.000 0.000 0.235 652 R C 2.703 178.946 176.300 -0.095 0.000 1.131 652 R CA 1.701 57.631 56.100 -0.284 0.000 0.960 652 R CB -1.956 27.933 30.300 -0.685 0.000 0.856 652 R HN 0.307 nan 8.270 nan 0.000 0.436 653 H N -0.300 118.833 119.070 0.106 0.000 2.389 653 H HA -0.018 4.538 4.556 0.000 0.000 0.299 653 H C 0.935 176.390 175.328 0.212 0.000 1.081 653 H CA 1.366 57.592 56.048 0.297 0.000 1.345 653 H CB 0.165 30.132 29.762 0.342 0.000 1.393 653 H HN 0.200 nan 8.280 nan 0.000 0.520 654 L N 0.409 121.676 121.223 0.073 0.000 2.672 654 L HA 0.119 4.459 4.340 0.000 0.000 0.236 654 L C 1.328 178.406 176.870 0.345 0.000 1.186 654 L CA 0.613 55.539 54.840 0.144 0.000 0.977 654 L CB 0.339 42.565 42.059 0.278 0.000 1.203 654 L HN 0.620 nan 8.230 nan 0.000 0.448 655 G N -0.626 108.209 108.800 0.058 0.000 2.179 655 G HA2 -0.207 3.753 3.960 0.000 0.000 0.220 655 G HA3 -0.207 3.753 3.960 0.000 0.000 0.220 655 G C 0.601 175.002 174.900 -0.831 0.000 0.990 655 G CA -0.314 44.703 45.100 -0.138 0.000 0.646 655 G HN 0.512 nan 8.290 nan 0.000 0.517 656 G N -0.792 107.229 108.800 -1.298 0.000 2.554 656 G HA2 0.477 4.437 3.960 0.000 0.000 0.238 656 G HA3 0.477 4.437 3.960 0.000 0.000 0.238 656 G C 0.771 175.233 174.900 -0.730 0.000 1.259 656 G CA 0.193 44.278 45.100 -1.691 0.000 0.843 656 G HN 0.243 nan 8.290 nan 0.000 0.582 657 R N 0.490 120.664 120.500 -0.542 0.000 2.428 657 R HA 0.392 4.732 4.340 0.000 0.000 0.193 657 R C 0.510 176.705 176.300 -0.175 0.000 0.852 657 R CA 0.797 56.740 56.100 -0.262 0.000 1.055 657 R CB 0.378 30.564 30.300 -0.190 0.000 1.343 657 R HN 0.660 nan 8.270 nan 0.000 0.655 658 A N 1.405 124.127 122.820 -0.164 0.000 2.549 658 A HA 0.690 5.010 4.320 0.000 0.000 0.297 658 A C -1.206 176.356 177.584 -0.036 0.000 1.061 658 A CA -0.608 51.364 52.037 -0.109 0.000 0.690 658 A CB 1.595 20.511 19.000 -0.141 0.000 1.287 658 A HN 0.030 nan 8.150 nan 0.000 0.402 659 I N 2.230 122.801 120.570 0.003 0.000 2.418 659 I HA 0.437 4.608 4.170 0.000 0.000 0.287 659 I C -0.891 175.245 176.117 0.032 0.000 1.008 659 I CA -0.213 61.101 61.300 0.023 0.000 1.104 659 I CB 1.233 39.279 38.000 0.076 0.000 1.264 659 I HN 0.507 nan 8.210 nan 0.000 0.438 660 I N 5.850 126.349 120.570 -0.119 0.000 2.389 660 I HA 0.434 4.604 4.170 0.000 0.000 0.288 660 I C 0.385 176.260 176.117 -0.403 0.000 0.999 660 I CA -0.186 60.950 61.300 -0.274 0.000 1.129 660 I CB 2.121 39.904 38.000 -0.362 0.000 1.288 660 I HN 0.678 nan 8.210 nan 0.000 0.444 661 T N 0.966 115.217 114.554 -0.506 0.000 2.831 661 T HA 0.468 4.818 4.350 0.000 0.000 0.287 661 T C 0.534 175.144 174.700 -0.151 0.000 1.070 661 T CA -0.844 61.025 62.100 -0.386 0.000 1.010 661 T CB 2.129 70.531 68.868 -0.775 0.000 1.264 661 T HN 0.471 nan 8.240 nan 0.000 0.532 662 K N 0.364 120.806 120.400 0.071 0.000 2.116 662 K HA 0.210 4.531 4.320 0.000 0.000 0.203 662 K C 0.677 177.276 176.600 -0.002 0.000 1.052 662 K CA 0.969 57.342 56.287 0.144 0.000 0.952 662 K CB -0.013 32.505 32.500 0.029 0.000 0.729 662 K HN 0.804 nan 8.250 nan 0.000 0.446 663 S N -0.839 114.787 115.700 -0.124 0.000 2.587 663 S HA 0.554 5.024 4.470 0.000 0.000 0.269 663 S C -1.221 173.276 174.600 -0.172 0.000 1.154 663 S CA -1.142 57.013 58.200 -0.075 0.000 0.824 663 S CB 0.900 64.117 63.200 0.029 0.000 1.118 663 S HN -0.013 nan 8.310 nan 0.000 0.462 664 F N 0.661 120.685 119.950 0.122 0.000 2.561 664 F HA 0.830 5.357 4.527 0.000 0.000 0.321 664 F C 0.724 176.608 175.800 0.139 0.000 1.065 664 F CA -0.557 57.548 58.000 0.176 0.000 0.934 664 F CB 1.902 41.001 39.000 0.165 0.000 1.215 664 F HN 0.993 nan 8.300 nan 0.000 0.471 665 A N 2.161 125.204 122.820 0.371 0.000 2.351 665 A HA 0.352 4.672 4.320 0.000 0.000 0.257 665 A C 1.553 179.286 177.584 0.249 0.000 1.087 665 A CA -0.394 51.792 52.037 0.248 0.000 0.798 665 A CB 0.468 19.589 19.000 0.203 0.000 1.033 665 A HN 1.001 nan 8.150 nan 0.000 0.488 666 R N 1.021 121.624 120.500 0.172 0.000 2.122 666 R HA -0.194 4.146 4.340 0.000 0.000 0.236 666 R C 1.558 177.940 176.300 0.136 0.000 1.129 666 R CA 2.533 58.715 56.100 0.137 0.000 0.925 666 R CB -0.477 29.892 30.300 0.114 0.000 0.850 666 R HN 0.824 nan 8.270 nan 0.000 0.431 667 I N -0.559 120.103 120.570 0.154 0.000 2.252 667 I HA -0.242 3.928 4.170 0.000 0.000 0.245 667 I C 2.516 178.739 176.117 0.176 0.000 1.102 667 I CA 1.408 62.802 61.300 0.156 0.000 1.385 667 I CB -0.430 37.660 38.000 0.150 0.000 1.064 667 I HN 0.366 nan 8.210 nan 0.000 0.414 668 H N 0.930 120.075 119.070 0.126 0.000 2.421 668 H HA -0.195 4.361 4.556 0.000 0.000 0.298 668 H C 2.092 177.475 175.328 0.093 0.000 1.087 668 H CA 1.915 58.047 56.048 0.141 0.000 1.330 668 H CB 0.027 29.907 29.762 0.197 0.000 1.388 668 H HN 0.374 nan 8.280 nan 0.000 0.526 669 E N -0.852 119.300 120.200 -0.080 0.000 2.072 669 E HA -0.146 4.204 4.350 0.000 0.000 0.191 669 E C 1.721 178.172 176.600 -0.248 0.000 0.985 669 E CA 1.569 57.769 56.400 -0.334 0.000 0.801 669 E CB 0.052 29.578 29.700 -0.290 0.000 0.750 669 E HN 0.496 nan 8.360 nan 0.000 0.452 670 T N 0.823 115.326 114.554 -0.086 0.000 2.720 670 T HA -0.148 4.202 4.350 0.000 0.000 0.268 670 T C 1.494 176.189 174.700 -0.008 0.000 1.037 670 T CA 1.654 63.744 62.100 -0.016 0.000 1.144 670 T CB -0.450 68.468 68.868 0.083 0.000 0.864 670 T HN 0.337 nan 8.240 nan 0.000 0.444 671 N N 0.722 119.406 118.700 -0.027 0.000 2.223 671 N HA 0.032 4.772 4.740 0.000 0.000 0.185 671 N C 1.785 177.254 175.510 -0.067 0.000 1.016 671 N CA 0.671 53.708 53.050 -0.021 0.000 0.863 671 N CB -0.234 38.283 38.487 0.050 0.000 0.983 671 N HN 0.291 nan 8.380 nan 0.000 0.429 672 L N 1.156 122.273 121.223 -0.178 0.000 2.072 672 L HA -0.102 4.239 4.340 0.000 0.000 0.205 672 L C 2.110 178.952 176.870 -0.046 0.000 1.079 672 L CA 1.121 55.871 54.840 -0.150 0.000 0.752 672 L CB -0.235 41.667 42.059 -0.262 0.000 0.906 672 L HN 0.094 nan 8.230 nan 0.000 0.436 673 K N -0.141 120.227 120.400 -0.052 0.000 2.097 673 K HA -0.147 4.173 4.320 0.000 0.000 0.206 673 K C 2.104 178.892 176.600 0.313 0.000 1.049 673 K CA 0.933 57.282 56.287 0.102 0.000 0.933 673 K CB -0.014 32.393 32.500 -0.155 0.000 0.717 673 K HN 0.096 nan 8.250 nan 0.000 0.442 674 K N 0.555 121.023 120.400 0.114 0.000 2.211 674 K HA -0.076 4.244 4.320 0.000 0.000 0.203 674 K C 1.580 178.128 176.600 -0.086 0.000 1.050 674 K CA 1.061 57.242 56.287 -0.177 0.000 0.945 674 K CB 0.184 32.533 32.500 -0.251 0.000 0.732 674 K HN 0.149 nan 8.250 nan 0.000 0.451 675 Q N -0.693 119.106 119.800 -0.001 0.000 2.280 675 Q HA 0.136 4.476 4.340 0.000 0.000 0.201 675 Q C 0.736 176.692 176.000 -0.074 0.000 0.890 675 Q CA 0.346 56.142 55.803 -0.013 0.000 0.947 675 Q CB 0.769 29.472 28.738 -0.057 0.000 1.081 675 Q HN 0.472 nan 8.270 nan 0.000 0.502 676 G N 0.567 109.413 108.800 0.077 0.000 2.143 676 G HA2 -0.260 3.700 3.960 0.000 0.000 0.249 676 G HA3 -0.260 3.700 3.960 0.000 0.000 0.249 676 G C 0.078 175.080 174.900 0.169 0.000 0.981 676 G CA 0.174 45.360 45.100 0.144 0.000 0.665 676 G HN 0.298 nan 8.290 nan 0.000 0.528 677 L N -0.595 120.682 121.223 0.089 0.000 2.448 677 L HA 0.718 5.058 4.340 0.000 0.000 0.258 677 L C 0.845 177.770 176.870 0.093 0.000 1.104 677 L CA -1.050 53.815 54.840 0.041 0.000 0.800 677 L CB 1.063 43.095 42.059 -0.046 0.000 1.241 677 L HN 0.012 nan 8.230 nan 0.000 0.472 678 L N 3.029 124.225 121.223 -0.044 0.000 2.324 678 L HA 0.353 4.693 4.340 0.000 0.000 0.274 678 L C -2.275 174.570 176.870 -0.042 0.000 1.012 678 L CA -1.699 53.077 54.840 -0.106 0.000 0.859 678 L CB 1.473 43.263 42.059 -0.448 0.000 1.224 678 L HN 0.263 nan 8.230 nan 0.000 0.429 679 P HA 0.196 nan 4.420 nan 0.000 0.275 679 P C -0.980 176.340 177.300 0.033 0.000 1.276 679 P CA 0.100 63.069 63.100 -0.218 0.000 0.782 679 P CB 0.881 32.103 31.700 -0.798 0.000 0.851 680 L N 3.675 125.021 121.223 0.206 0.000 2.354 680 L HA 0.594 4.934 4.340 0.000 0.000 0.269 680 L C 0.727 177.697 176.870 0.167 0.000 1.005 680 L CA -0.618 54.311 54.840 0.149 0.000 0.819 680 L CB 2.455 44.488 42.059 -0.044 0.000 1.311 680 L HN 0.303 nan 8.230 nan 0.000 0.423 681 T N -1.958 112.655 114.554 0.099 0.000 2.856 681 T HA 0.573 4.923 4.350 0.000 0.000 0.283 681 T C -0.339 174.326 174.700 -0.059 0.000 1.008 681 T CA -0.663 61.435 62.100 -0.005 0.000 0.997 681 T CB 1.046 69.989 68.868 0.126 0.000 0.992 681 T HN 0.090 nan 8.240 nan 0.000 0.454 682 F N 1.653 121.633 119.950 0.050 0.000 2.602 682 F HA 0.358 4.885 4.527 0.000 0.000 0.385 682 F C 1.788 177.608 175.800 0.034 0.000 1.063 682 F CA -0.425 57.598 58.000 0.038 0.000 1.233 682 F CB -0.034 38.988 39.000 0.036 0.000 1.067 682 F HN 0.886 nan 8.300 nan 0.000 0.564 683 A N 1.675 124.620 122.820 0.208 0.000 2.015 683 A HA -0.110 4.210 4.320 0.000 0.000 0.219 683 A C 0.712 178.364 177.584 0.114 0.000 1.163 683 A CA 1.406 53.518 52.037 0.125 0.000 0.646 683 A CB -0.321 18.733 19.000 0.091 0.000 0.806 683 A HN 0.637 nan 8.150 nan 0.000 0.448 684 D N -1.645 118.836 120.400 0.136 0.000 2.469 684 D HA 0.295 4.935 4.640 0.000 0.000 0.251 684 D C -2.106 174.213 176.300 0.033 0.000 1.173 684 D CA -2.153 51.887 54.000 0.066 0.000 0.882 684 D CB 1.673 42.491 40.800 0.030 0.000 1.129 684 D HN -0.034 nan 8.370 nan 0.000 0.549 685 P HA -0.108 nan 4.420 nan 0.000 0.223 685 P C 1.029 178.202 177.300 -0.213 0.000 1.144 685 P CA 0.503 63.558 63.100 -0.075 0.000 0.783 685 P CB 0.262 31.952 31.700 -0.017 0.000 0.771 686 A N 0.385 123.121 122.820 -0.141 0.000 2.070 686 A HA -0.164 4.156 4.320 0.000 0.000 0.220 686 A C 1.900 179.364 177.584 -0.201 0.000 1.159 686 A CA 1.486 53.445 52.037 -0.130 0.000 0.656 686 A CB -1.094 17.863 19.000 -0.072 0.000 0.800 686 A HN 0.055 nan 8.150 nan 0.000 0.453 687 D N -1.571 118.640 120.400 -0.315 0.000 2.263 687 D HA -0.167 4.474 4.640 0.000 0.000 0.208 687 D C 1.405 177.323 176.300 -0.637 0.000 0.971 687 D CA 1.079 54.856 54.000 -0.372 0.000 0.867 687 D CB -0.357 40.298 40.800 -0.243 0.000 0.929 687 D HN 0.700 nan 8.370 nan 0.000 0.492 688 Y N 1.765 121.366 120.300 -1.164 0.000 2.256 688 Y HA -0.213 4.337 4.550 0.000 0.000 0.288 688 Y C 1.510 177.194 175.900 -0.360 0.000 1.155 688 Y CA 1.396 58.996 58.100 -0.834 0.000 1.203 688 Y CB -0.047 38.055 38.460 -0.597 0.000 0.980 688 Y HN -0.074 nan 8.280 nan 0.000 0.530 689 N N 0.207 118.824 118.700 -0.139 0.000 2.467 689 N HA -0.043 4.697 4.740 0.000 0.000 0.184 689 N C 0.989 176.371 175.510 -0.213 0.000 1.106 689 N CA 0.810 53.783 53.050 -0.127 0.000 0.892 689 N CB -0.033 38.446 38.487 -0.015 0.000 0.969 689 N HN 0.486 nan 8.380 nan 0.000 0.454 690 K N 0.118 120.382 120.400 -0.227 0.000 2.393 690 K HA 0.249 4.569 4.320 0.000 0.000 0.193 690 K C 0.258 176.670 176.600 -0.312 0.000 1.026 690 K CA 0.246 56.428 56.287 -0.175 0.000 1.064 690 K CB 0.837 33.309 32.500 -0.047 0.000 0.833 690 K HN 0.080 nan 8.250 nan 0.000 0.521 691 I N 2.038 122.364 120.570 -0.406 0.000 2.304 691 I HA 0.125 4.295 4.170 0.000 0.000 0.291 691 I C -0.485 175.319 176.117 -0.521 0.000 1.018 691 I CA -0.643 60.434 61.300 -0.371 0.000 1.260 691 I CB 0.757 38.655 38.000 -0.170 0.000 1.390 691 I HN 0.092 nan 8.210 nan 0.000 0.475 692 H N 6.336 125.395 119.070 -0.018 0.000 2.567 692 H HA 0.297 4.853 4.556 0.000 0.000 0.345 692 H C -1.840 173.474 175.328 -0.024 0.000 1.169 692 H CA -1.914 54.121 56.048 -0.022 0.000 1.227 692 H CB 0.600 30.378 29.762 0.026 0.000 1.607 692 H HN 0.294 nan 8.280 nan 0.000 0.534 693 P HA -0.234 nan 4.420 nan 0.000 0.217 693 P C 1.257 178.581 177.300 0.041 0.000 1.148 693 P CA 1.541 64.669 63.100 0.048 0.000 0.834 693 P CB 0.154 31.887 31.700 0.054 0.000 0.783 694 V N -3.851 116.105 119.914 0.070 0.000 2.719 694 V HA -0.039 4.081 4.120 0.000 0.000 0.252 694 V C 0.609 176.723 176.094 0.033 0.000 1.065 694 V CA 0.820 63.145 62.300 0.042 0.000 1.086 694 V CB -1.285 30.566 31.823 0.045 0.000 0.700 694 V HN 0.002 nan 8.190 nan 0.000 0.467 695 D N 2.218 122.651 120.400 0.055 0.000 2.443 695 D HA 0.211 4.851 4.640 0.000 0.000 0.239 695 D C 0.163 176.436 176.300 -0.045 0.000 1.136 695 D CA 0.290 54.286 54.000 -0.006 0.000 0.879 695 D CB 0.615 41.382 40.800 -0.054 0.000 1.195 695 D HN 0.256 nan 8.370 nan 0.000 0.443 696 K N 1.565 121.929 120.400 -0.060 0.000 2.174 696 K HA 0.418 4.739 4.320 0.000 0.000 0.275 696 K C -0.343 176.216 176.600 -0.068 0.000 1.015 696 K CA -0.839 55.414 56.287 -0.057 0.000 0.933 696 K CB 1.059 33.531 32.500 -0.047 0.000 1.025 696 K HN 0.198 nan 8.250 nan 0.000 0.463 697 L N 1.466 122.656 121.223 -0.054 0.000 2.362 697 L HA 0.348 4.688 4.340 0.000 0.000 0.275 697 L C -0.053 176.787 176.870 -0.049 0.000 0.998 697 L CA -0.228 54.579 54.840 -0.055 0.000 0.820 697 L CB 1.816 43.847 42.059 -0.046 0.000 1.270 697 L HN 0.498 nan 8.230 nan 0.000 0.415 698 T N 4.562 119.086 114.554 -0.049 0.000 2.756 698 T HA 0.559 4.909 4.350 0.000 0.000 0.290 698 T C -0.063 174.602 174.700 -0.058 0.000 0.985 698 T CA -0.305 61.768 62.100 -0.045 0.000 0.955 698 T CB 0.595 69.443 68.868 -0.034 0.000 0.930 698 T HN 0.126 nan 8.240 nan 0.000 0.451 699 I N 4.061 124.585 120.570 -0.077 0.000 2.304 699 I HA 0.337 4.507 4.170 0.000 0.000 0.291 699 I C 0.383 176.440 176.117 -0.101 0.000 1.018 699 I CA -0.528 60.702 61.300 -0.117 0.000 1.260 699 I CB 1.007 38.892 38.000 -0.191 0.000 1.390 699 I HN 0.634 nan 8.210 nan 0.000 0.475 700 Q N 4.043 123.788 119.800 -0.091 0.000 2.301 700 Q HA 0.555 4.896 4.340 0.000 0.000 0.267 700 Q C 0.489 176.444 176.000 -0.075 0.000 1.035 700 Q CA -0.296 55.470 55.803 -0.062 0.000 0.856 700 Q CB 1.973 30.690 28.738 -0.036 0.000 1.337 700 Q HN 0.918 nan 8.270 nan 0.000 0.450 701 G N 3.253 112.031 108.800 -0.036 0.000 2.212 701 G HA2 -0.192 3.768 3.960 0.000 0.000 0.255 701 G HA3 -0.192 3.768 3.960 0.000 0.000 0.255 701 G C 0.209 175.079 174.900 -0.050 0.000 1.062 701 G CA 0.078 45.167 45.100 -0.019 0.000 0.815 701 G HN 0.509 nan 8.290 nan 0.000 0.497 702 L N 0.396 121.592 121.223 -0.044 0.000 2.156 702 L HA 0.097 4.438 4.340 0.000 0.000 0.208 702 L C 2.697 179.655 176.870 0.146 0.000 1.095 702 L CA 2.401 57.166 54.840 -0.126 0.000 0.770 702 L CB -0.774 41.267 42.059 -0.030 0.000 0.914 702 L HN 0.602 nan 8.230 nan 0.000 0.439 703 K N -0.076 120.484 120.400 0.266 0.000 2.362 703 K HA -0.180 4.140 4.320 0.000 0.000 0.202 703 K C 0.092 176.808 176.600 0.194 0.000 1.045 703 K CA 1.356 57.817 56.287 0.289 0.000 0.936 703 K CB 0.153 32.749 32.500 0.161 0.000 0.747 703 K HN 0.354 nan 8.250 nan 0.000 0.467 704 D N -0.239 120.243 120.400 0.137 0.000 2.538 704 D HA 0.005 4.646 4.640 0.000 0.000 0.231 704 D C -0.422 175.961 176.300 0.138 0.000 1.229 704 D CA -0.333 53.733 54.000 0.111 0.000 0.828 704 D CB -0.233 40.611 40.800 0.074 0.000 1.035 704 D HN 0.162 nan 8.370 nan 0.000 0.495 705 F N 2.321 122.215 119.950 -0.094 0.000 2.569 705 F HA 0.124 4.651 4.527 0.000 0.000 0.395 705 F C 0.200 175.915 175.800 -0.142 0.000 1.028 705 F CA -0.204 57.660 58.000 -0.226 0.000 1.158 705 F CB 0.400 39.175 39.000 -0.375 0.000 1.023 705 F HN -0.032 nan 8.300 nan 0.000 0.547 706 A N 7.527 130.364 122.820 0.028 0.000 2.549 706 A HA 0.618 4.938 4.320 0.000 0.000 0.297 706 A C -2.828 174.793 177.584 0.062 0.000 1.061 706 A CA -1.868 50.146 52.037 -0.039 0.000 0.690 706 A CB 1.588 20.606 19.000 0.030 0.000 1.287 706 A HN 0.453 nan 8.150 nan 0.000 0.402 707 P HA 0.242 nan 4.420 nan 0.000 0.262 707 P C 1.170 178.474 177.300 0.006 0.000 1.182 707 P CA 2.296 65.428 63.100 0.055 0.000 0.761 707 P CB 0.573 32.269 31.700 -0.008 0.000 0.795 708 G N 1.682 110.417 108.800 -0.108 0.000 2.212 708 G HA2 -0.295 3.665 3.960 0.000 0.000 0.266 708 G HA3 -0.295 3.665 3.960 0.000 0.000 0.266 708 G C 0.268 175.131 174.900 -0.062 0.000 0.978 708 G CA 0.160 45.195 45.100 -0.108 0.000 0.632 708 G HN 0.706 nan 8.290 nan 0.000 0.537 709 K N 1.415 121.834 120.400 0.033 0.000 2.211 709 K HA 0.518 4.838 4.320 0.000 0.000 0.275 709 K C -2.596 174.102 176.600 0.163 0.000 1.024 709 K CA -1.975 54.370 56.287 0.097 0.000 0.887 709 K CB 1.548 34.127 32.500 0.130 0.000 1.084 709 K HN 0.053 nan 8.250 nan 0.000 0.463 710 P HA 0.160 nan 4.420 nan 0.000 0.274 710 P C -0.768 176.600 177.300 0.114 0.000 1.231 710 P CA -0.302 62.866 63.100 0.113 0.000 0.790 710 P CB 0.667 32.401 31.700 0.057 0.000 0.951 711 L N 2.250 123.524 121.223 0.085 0.000 2.334 711 L HA 0.455 4.795 4.340 0.000 0.000 0.275 711 L C 0.933 177.788 176.870 -0.025 0.000 1.036 711 L CA -0.745 54.082 54.840 -0.023 0.000 0.807 711 L CB 0.944 42.910 42.059 -0.154 0.000 1.231 711 L HN 0.334 nan 8.230 nan 0.000 0.438 712 K N 1.135 121.515 120.400 -0.035 0.000 2.123 712 K HA 0.522 4.842 4.320 0.000 0.000 0.259 712 K C -1.183 175.392 176.600 -0.040 0.000 0.960 712 K CA -0.619 55.656 56.287 -0.020 0.000 0.872 712 K CB 2.035 34.532 32.500 -0.006 0.000 1.079 712 K HN 0.521 nan 8.250 nan 0.000 0.440 713 C N 3.492 122.779 119.300 -0.022 0.000 2.369 713 C HA 0.535 4.995 4.460 0.000 0.000 0.322 713 C C -0.673 174.307 174.990 -0.016 0.000 1.258 713 C CA -0.769 58.231 59.018 -0.030 0.000 1.487 713 C CB -0.645 27.081 27.740 -0.024 0.000 2.165 713 C HN 0.830 nan 8.230 nan 0.000 0.483 714 I N 7.017 127.570 120.570 -0.029 0.000 2.325 714 I HA 0.344 4.514 4.170 0.000 0.000 0.291 714 I C 0.270 176.351 176.117 -0.060 0.000 1.019 714 I CA 0.210 61.492 61.300 -0.031 0.000 1.302 714 I CB 1.058 39.041 38.000 -0.028 0.000 1.401 714 I HN 0.497 nan 8.210 nan 0.000 0.485 715 I N 7.159 127.677 120.570 -0.088 0.000 2.278 715 I HA 0.151 4.321 4.170 0.000 0.000 0.296 715 I C 0.286 176.217 176.117 -0.309 0.000 1.121 715 I CA -0.265 60.914 61.300 -0.201 0.000 1.267 715 I CB -0.251 37.615 38.000 -0.223 0.000 1.447 715 I HN 0.424 nan 8.210 nan 0.000 0.509 716 K N 6.141 126.406 120.400 -0.224 0.000 2.250 716 K HA 0.246 4.566 4.320 0.000 0.000 0.285 716 K C -0.269 176.229 176.600 -0.171 0.000 1.097 716 K CA -0.553 55.641 56.287 -0.154 0.000 0.913 716 K CB 0.252 32.712 32.500 -0.067 0.000 1.179 716 K HN 0.448 nan 8.250 nan 0.000 0.462 717 H N 2.600 121.690 119.070 0.033 0.000 2.764 717 H HA -0.007 4.549 4.556 0.000 0.000 0.341 717 H C -1.677 173.662 175.328 0.018 0.000 1.072 717 H CA -1.762 54.309 56.048 0.040 0.000 1.444 717 H CB 0.774 30.563 29.762 0.045 0.000 1.458 717 H HN 0.371 nan 8.280 nan 0.000 0.572 718 P HA -0.195 nan 4.420 nan 0.000 0.216 718 P C 0.760 178.090 177.300 0.049 0.000 1.154 718 P CA 1.873 65.010 63.100 0.062 0.000 0.865 718 P CB 0.088 31.815 31.700 0.044 0.000 0.789 719 N N -1.432 117.302 118.700 0.057 0.000 2.535 719 N HA 0.069 4.809 4.740 0.000 0.000 0.203 719 N C 1.183 176.718 175.510 0.041 0.000 1.301 719 N CA 0.795 53.867 53.050 0.035 0.000 0.859 719 N CB -1.085 37.411 38.487 0.015 0.000 1.055 719 N HN 0.141 nan 8.380 nan 0.000 0.457 720 G N -0.720 108.112 108.800 0.053 0.000 2.220 720 G HA2 -0.382 3.578 3.960 0.000 0.000 0.269 720 G HA3 -0.382 3.578 3.960 0.000 0.000 0.269 720 G C 0.411 175.347 174.900 0.061 0.000 0.977 720 G CA 0.937 46.065 45.100 0.045 0.000 0.634 720 G HN 0.801 nan 8.290 nan 0.000 0.539 721 T N -1.379 113.227 114.554 0.087 0.000 2.882 721 T HA 0.621 4.971 4.350 0.000 0.000 0.287 721 T C -0.079 174.735 174.700 0.189 0.000 1.014 721 T CA 0.532 62.696 62.100 0.106 0.000 1.049 721 T CB 1.770 70.681 68.868 0.073 0.000 1.001 721 T HN 1.342 nan 8.240 nan 0.000 0.525 722 Q N -0.172 119.726 119.800 0.163 0.000 2.511 722 Q HA 0.656 4.997 4.340 0.000 0.000 0.289 722 Q C -1.847 174.231 176.000 0.131 0.000 1.021 722 Q CA -1.173 54.713 55.803 0.138 0.000 0.785 722 Q CB 2.114 30.878 28.738 0.043 0.000 1.472 722 Q HN 0.883 nan 8.270 nan 0.000 0.411 723 E N 0.388 120.643 120.200 0.092 0.000 2.335 723 E HA 0.441 4.791 4.350 0.000 0.000 0.280 723 E C -1.357 175.267 176.600 0.040 0.000 0.918 723 E CA -0.953 55.496 56.400 0.081 0.000 0.765 723 E CB 2.064 31.840 29.700 0.127 0.000 1.218 723 E HN 0.525 nan 8.360 nan 0.000 0.425 724 T N 3.492 118.067 114.554 0.035 0.000 2.767 724 T HA 0.550 4.900 4.350 0.000 0.000 0.284 724 T C 0.280 175.002 174.700 0.036 0.000 0.973 724 T CA -0.532 61.583 62.100 0.025 0.000 0.996 724 T CB 0.168 69.048 68.868 0.019 0.000 0.927 724 T HN 0.494 nan 8.240 nan 0.000 0.456 725 I N 0.267 120.863 120.570 0.044 0.000 3.067 725 I HA 0.715 4.885 4.170 0.000 0.000 0.312 725 I C -1.202 174.952 176.117 0.063 0.000 1.073 725 I CA -1.580 59.760 61.300 0.066 0.000 1.016 725 I CB 1.643 39.708 38.000 0.109 0.000 1.227 725 I HN 0.378 nan 8.210 nan 0.000 0.456 726 L N 3.208 124.477 121.223 0.077 0.000 2.334 726 L HA 0.583 4.923 4.340 0.000 0.000 0.276 726 L C -0.889 176.030 176.870 0.081 0.000 1.014 726 L CA -0.769 54.109 54.840 0.063 0.000 0.815 726 L CB 1.953 44.044 42.059 0.053 0.000 1.268 726 L HN 0.469 nan 8.230 nan 0.000 0.428 727 L N 3.158 124.408 121.223 0.045 0.000 2.356 727 L HA 0.474 4.814 4.340 0.000 0.000 0.277 727 L C -0.481 176.427 176.870 0.064 0.000 0.996 727 L CA -0.737 54.118 54.840 0.025 0.000 0.822 727 L CB 1.746 43.775 42.059 -0.051 0.000 1.256 727 L HN 0.580 nan 8.230 nan 0.000 0.413 728 N N 1.276 120.020 118.700 0.072 0.000 2.463 728 N HA 0.472 5.212 4.740 0.000 0.000 0.270 728 N C -0.747 174.856 175.510 0.155 0.000 1.205 728 N CA -0.419 52.675 53.050 0.073 0.000 0.974 728 N CB 1.385 39.892 38.487 0.034 0.000 1.197 728 N HN 0.651 nan 8.380 nan 0.000 0.504 729 H N -4.086 115.058 119.070 0.123 0.000 3.008 729 H HA 0.456 5.012 4.556 0.000 0.000 0.354 729 H C -0.345 175.095 175.328 0.187 0.000 1.252 729 H CA -0.879 55.294 56.048 0.209 0.000 1.117 729 H CB 0.805 30.760 29.762 0.322 0.000 1.857 729 H HN 0.385 nan 8.280 nan 0.000 0.547 730 T N -0.693 113.989 114.554 0.213 0.000 3.248 730 T HA 0.304 4.654 4.350 0.000 0.000 0.271 730 T C -0.441 174.355 174.700 0.160 0.000 1.005 730 T CA -0.535 61.627 62.100 0.102 0.000 0.902 730 T CB -1.164 67.737 68.868 0.056 0.000 1.102 730 T HN 0.343 nan 8.240 nan 0.000 0.548 731 F N 4.137 124.181 119.950 0.157 0.000 2.538 731 F HA 0.319 4.846 4.527 0.000 0.000 0.371 731 F C 1.165 176.877 175.800 -0.146 0.000 1.087 731 F CA -0.661 57.288 58.000 -0.086 0.000 1.250 731 F CB 0.547 39.359 39.000 -0.314 0.000 1.110 731 F HN 0.358 nan 8.300 nan 0.000 0.570 732 N N 1.418 120.018 118.700 -0.166 0.000 2.530 732 N HA 0.142 4.882 4.740 0.000 0.000 0.283 732 N C 0.544 175.901 175.510 -0.256 0.000 1.238 732 N CA -0.609 52.341 53.050 -0.166 0.000 0.971 732 N CB 0.393 38.765 38.487 -0.192 0.000 1.195 732 N HN 0.409 nan 8.380 nan 0.000 0.583 733 E N -0.315 119.758 120.200 -0.211 0.000 2.153 733 E HA -0.102 4.248 4.350 0.000 0.000 0.194 733 E C 1.192 177.635 176.600 -0.262 0.000 0.988 733 E CA 1.240 57.514 56.400 -0.211 0.000 0.811 733 E CB -0.570 29.051 29.700 -0.132 0.000 0.746 733 E HN 0.696 nan 8.360 nan 0.000 0.466 734 T N 1.412 115.761 114.554 -0.341 0.000 2.674 734 T HA -0.182 4.168 4.350 0.000 0.000 0.265 734 T C 1.913 176.118 174.700 -0.824 0.000 1.039 734 T CA 1.488 63.323 62.100 -0.442 0.000 1.150 734 T CB -0.132 68.474 68.868 -0.436 0.000 0.864 734 T HN 0.247 nan 8.240 nan 0.000 0.427 735 Q N 0.074 119.263 119.800 -1.019 0.000 2.167 735 Q HA 0.086 4.426 4.340 0.000 0.000 0.202 735 Q C 2.303 178.144 176.000 -0.265 0.000 0.970 735 Q CA 0.935 56.038 55.803 -1.168 0.000 0.855 735 Q CB -0.290 27.809 28.738 -1.065 0.000 0.911 735 Q HN 0.518 nan 8.270 nan 0.000 0.438 736 I N 0.739 121.203 120.570 -0.178 0.000 2.361 736 I HA -0.221 3.949 4.170 0.000 0.000 0.251 736 I C 2.141 178.272 176.117 0.023 0.000 1.133 736 I CA 0.829 62.026 61.300 -0.171 0.000 1.413 736 I CB -0.105 37.617 38.000 -0.463 0.000 1.073 736 I HN 0.168 nan 8.210 nan 0.000 0.424 737 E N 0.018 120.193 120.200 -0.042 0.000 2.347 737 E HA -0.160 4.190 4.350 0.000 0.000 0.196 737 E C 1.869 178.609 176.600 0.234 0.000 1.008 737 E CA 0.743 57.187 56.400 0.075 0.000 0.852 737 E CB 0.002 29.726 29.700 0.040 0.000 0.783 737 E HN 0.495 nan 8.360 nan 0.000 0.505 738 W N 0.052 121.405 121.300 0.089 0.000 2.379 738 W HA -0.122 4.539 4.660 0.000 0.000 0.307 738 W C 2.130 178.725 176.519 0.126 0.000 1.200 738 W CA 0.117 57.517 57.345 0.093 0.000 1.297 738 W CB -1.592 27.922 29.460 0.090 0.000 1.140 738 W HN 0.084 nan 8.180 nan 0.000 0.507 739 F N 1.700 121.813 119.950 0.273 0.000 2.069 739 F HA -0.195 4.332 4.527 0.000 0.000 0.298 739 F C 2.451 178.277 175.800 0.044 0.000 1.113 739 F CA 1.996 60.062 58.000 0.108 0.000 1.214 739 F CB -0.683 38.321 39.000 0.007 0.000 0.978 739 F HN -0.245 nan 8.300 nan 0.000 0.474 740 R N -0.008 120.394 120.500 -0.164 0.000 2.105 740 R HA -0.113 4.227 4.340 0.000 0.000 0.239 740 R C 2.241 178.557 176.300 0.027 0.000 1.135 740 R CA 1.231 57.290 56.100 -0.068 0.000 0.967 740 R CB -0.785 29.622 30.300 0.178 0.000 0.861 740 R HN 0.406 nan 8.270 nan 0.000 0.442 741 A N -0.527 122.328 122.820 0.058 0.000 2.169 741 A HA 0.176 4.496 4.320 0.000 0.000 0.212 741 A C 1.556 179.172 177.584 0.052 0.000 1.153 741 A CA 1.045 53.125 52.037 0.072 0.000 0.756 741 A CB 0.025 19.089 19.000 0.106 0.000 0.813 741 A HN 0.483 nan 8.150 nan 0.000 0.471 742 G N -1.398 107.409 108.800 0.013 0.000 2.234 742 G HA2 -0.106 3.854 3.960 0.000 0.000 0.235 742 G HA3 -0.106 3.854 3.960 0.000 0.000 0.235 742 G C 0.358 175.318 174.900 0.099 0.000 0.997 742 G CA 0.627 45.745 45.100 0.030 0.000 0.623 742 G HN 2.213 nan 8.290 nan 0.000 0.514 743 S N -2.171 113.603 115.700 0.122 0.000 2.622 743 S HA 0.754 5.224 4.470 0.000 0.000 0.275 743 S C 0.807 175.411 174.600 0.007 0.000 1.112 743 S CA 0.633 58.897 58.200 0.107 0.000 0.837 743 S CB 0.817 64.126 63.200 0.181 0.000 1.082 743 S HN 1.830 nan 8.310 nan 0.000 0.456 744 A N 0.529 123.196 122.820 -0.256 0.000 2.070 744 A HA 0.079 4.399 4.320 0.000 0.000 0.220 744 A C 1.921 179.327 177.584 -0.296 0.000 1.159 744 A CA 1.731 53.376 52.037 -0.654 0.000 0.656 744 A CB -0.793 17.351 19.000 -1.425 0.000 0.800 744 A HN 1.192 nan 8.150 nan 0.000 0.453 745 L N 0.277 121.398 121.223 -0.169 0.000 2.072 745 L HA -0.085 4.255 4.340 0.000 0.000 0.205 745 L C 1.735 178.573 176.870 -0.054 0.000 1.079 745 L CA 2.114 56.892 54.840 -0.103 0.000 0.752 745 L CB -0.909 41.099 42.059 -0.084 0.000 0.906 745 L HN 0.301 nan 8.230 nan 0.000 0.436 746 N N -0.203 118.489 118.700 -0.014 0.000 2.120 746 N HA -0.183 4.557 4.740 0.000 0.000 0.188 746 N C 1.975 177.500 175.510 0.026 0.000 1.024 746 N CA 0.901 53.958 53.050 0.011 0.000 0.852 746 N CB -0.479 38.033 38.487 0.042 0.000 1.003 746 N HN 0.199 nan 8.380 nan 0.000 0.424 747 R N 1.387 121.918 120.500 0.051 0.000 2.091 747 R HA -0.037 4.303 4.340 0.000 0.000 0.238 747 R C 1.974 178.309 176.300 0.058 0.000 1.136 747 R CA 1.072 57.228 56.100 0.094 0.000 0.959 747 R CB -0.797 29.625 30.300 0.203 0.000 0.856 747 R HN 0.383 nan 8.270 nan 0.000 0.437 748 M N 0.246 119.857 119.600 0.017 0.000 2.229 748 M HA -0.141 4.339 4.480 0.000 0.000 0.264 748 M C 1.360 177.655 176.300 -0.009 0.000 1.063 748 M CA 1.622 56.924 55.300 0.003 0.000 1.114 748 M CB 0.004 32.585 32.600 -0.033 0.000 1.387 748 M HN -0.115 nan 8.290 nan 0.000 0.420 749 K N 0.934 121.324 120.400 -0.016 0.000 2.116 749 K HA -0.120 4.200 4.320 0.000 0.000 0.203 749 K C 1.761 178.357 176.600 -0.007 0.000 1.052 749 K CA 1.744 58.018 56.287 -0.022 0.000 0.952 749 K CB -0.495 31.987 32.500 -0.030 0.000 0.729 749 K HN 0.708 nan 8.250 nan 0.000 0.446 750 E N 0.922 121.127 120.200 0.008 0.000 2.274 750 E HA -0.089 4.262 4.350 0.000 0.000 0.194 750 E C 1.871 178.481 176.600 0.016 0.000 0.996 750 E CA 0.535 56.943 56.400 0.013 0.000 0.840 750 E CB -0.328 29.387 29.700 0.024 0.000 0.772 750 E HN 0.166 nan 8.360 nan 0.000 0.491 751 L N 0.614 121.849 121.223 0.021 0.000 2.395 751 L HA -0.043 4.297 4.340 0.000 0.000 0.218 751 L C 1.068 177.945 176.870 0.011 0.000 1.130 751 L CA 0.587 55.440 54.840 0.022 0.000 0.826 751 L CB -0.094 41.984 42.059 0.032 0.000 0.941 751 L HN 0.094 nan 8.230 nan 0.000 0.451 752 Q N 0.384 120.185 119.800 0.001 0.000 2.681 752 Q HA 0.138 4.478 4.340 0.000 0.000 0.222 752 Q C 0.034 176.031 176.000 -0.005 0.000 1.258 752 Q CA -0.217 55.582 55.803 -0.006 0.000 1.014 752 Q CB 0.854 29.580 28.738 -0.020 0.000 1.384 752 Q HN 0.137 nan 8.270 nan 0.000 0.570 753 Q N 0.250 120.050 119.800 0.000 0.000 1.949 753 Q HA -0.321 4.020 4.340 0.000 0.000 0.274 753 Q C -0.379 175.621 176.000 0.000 0.000 2.541 753 Q CA 2.112 57.915 55.803 0.000 0.000 0.674 753 Q CB -0.633 28.104 28.738 -0.003 0.000 1.303 753 Q HN 0.570 nan 8.270 nan 0.000 0.598 754 K N 0.000 120.398 120.400 -0.004 0.000 2.780 754 K HA 0.000 4.320 4.320 0.000 0.000 0.191 754 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 754 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 754 K HN 0.000 nan 8.250 nan 0.000 0.543