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 3biw_1_A DATA FIRST_RESID 52 DATA SEQUENCE DPLVTTNFGK IRGIKKELNN EILGPVIQFL GVPYAAPPTG EHRFQPPEPP DATA SEQUENCE SPWSDIRNAT QFAPVcPQNI IDGRLPEVML PVWFTNNLDV VSSYVQDQSE DATA SEQUENCE DcLYLNIYVP TXXXXXXXXX XXXXXXXXXX XXXXIRDSGG PKPVMVYIHG DATA SEQUENCE GSYMEGTGNL YDGSVLASYG NVIVITVNYR LGVLGFLSTG DQAAKGNYGL DATA SEQUENCE LDLIQALRWT SENIGFFGGD PLRITVFGSG AGGSCVNLLT LSHYSEXXXX DATA SEQUENCE XXXXKGLFQR AIAQSGTALS SWAVSFQPAK YARILATKVG cNVSDTVELV DATA SEQUENCE EcLQKKPYKE LVDQDVQPAR YHIAFGPVID GDVIPDDPQI LMEQGEFLNY DATA SEQUENCE DIMLGVNQGE GLKFVENIVD SDDGVSASDF DFAVSNFVDN LYGXXXXXXV DATA SEQUENCE LRETIKFMYT DWADRHNPET RRKTLLALFT DHQWVAPAVA TADLHSNFGS DATA SEQUENCE PTYFYAFYHH cQTDQVPAWA DAAHGDEVPY VLGIPMIGPT ELFPcNFSKN DATA SEQUENCE DVMLSAVVMT YWTNFAKTGD PNQPVXXXXX XXXXXXXXXX EVAWTRYSQK DATA SEQUENCE DQLYLHIGLK PRVKEHYRAN KVNLWLELVP HLHNL 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 52 D HA 0.000 nan 4.640 nan 0.000 0.175 52 D C 0.000 176.289 176.300 -0.018 0.000 2.045 52 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 52 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 53 P HA 0.435 nan 4.420 nan 0.000 0.283 53 P C -1.005 176.296 177.300 0.001 0.000 1.412 53 P CA -0.276 62.806 63.100 -0.029 0.000 0.912 53 P CB 0.450 32.072 31.700 -0.129 0.000 1.132 54 L N 2.637 123.896 121.223 0.060 0.000 2.354 54 L HA 0.726 5.066 4.340 -0.001 0.000 0.269 54 L C -0.583 176.339 176.870 0.086 0.000 1.005 54 L CA -1.121 53.770 54.840 0.086 0.000 0.819 54 L CB 2.466 44.553 42.059 0.046 0.000 1.311 54 L HN 0.013 nan 8.230 nan 0.000 0.423 55 V N 0.610 120.570 119.914 0.076 0.000 2.777 55 V HA 0.333 4.453 4.120 -0.001 0.000 0.306 55 V C -0.453 175.587 176.094 -0.090 0.000 1.112 55 V CA -0.512 61.720 62.300 -0.113 0.000 0.917 55 V CB 2.585 34.122 31.823 -0.477 0.000 1.018 55 V HN 0.775 nan 8.190 nan 0.000 0.426 56 T N 3.581 118.028 114.554 -0.179 0.000 2.845 56 T HA 0.642 4.991 4.350 -0.001 0.000 0.288 56 T C 0.201 174.685 174.700 -0.360 0.000 0.980 56 T CA -0.251 61.727 62.100 -0.203 0.000 1.071 56 T CB 1.360 70.063 68.868 -0.274 0.000 0.941 56 T HN 0.967 nan 8.240 nan 0.000 0.487 57 T N -0.264 114.183 114.554 -0.178 0.000 2.883 57 T HA 0.401 4.751 4.350 -0.001 0.000 0.284 57 T C 0.781 175.333 174.700 -0.247 0.000 1.041 57 T CA -1.008 61.047 62.100 -0.076 0.000 1.007 57 T CB 1.070 70.165 68.868 0.379 0.000 1.220 57 T HN 0.257 nan 8.240 nan 0.000 0.552 58 N N -0.460 118.118 118.700 -0.204 0.000 2.515 58 N HA 0.131 4.870 4.740 -0.001 0.000 0.191 58 N C -0.155 174.978 175.510 -0.629 0.000 1.182 58 N CA 0.369 53.158 53.050 -0.434 0.000 0.879 58 N CB -0.355 37.831 38.487 -0.501 0.000 0.984 58 N HN 0.516 nan 8.380 nan 0.000 0.453 59 F N -0.830 118.993 119.950 -0.212 0.000 2.784 59 F HA 0.396 4.923 4.527 -0.001 0.000 0.323 59 F C 1.376 176.476 175.800 -1.168 0.000 1.085 59 F CA -0.177 57.512 58.000 -0.519 0.000 1.196 59 F CB 0.679 39.451 39.000 -0.380 0.000 1.053 59 F HN -0.118 nan 8.300 nan 0.000 0.578 60 G N 0.196 108.611 108.800 -0.642 0.000 2.368 60 G HA2 0.161 4.121 3.960 -0.001 0.000 0.302 60 G HA3 0.161 4.121 3.960 -0.001 0.000 0.302 60 G C -1.424 173.577 174.900 0.169 0.000 1.329 60 G CA -1.244 43.476 45.100 -0.633 0.000 0.935 60 G HN -0.115 nan 8.290 nan 0.000 0.590 61 K N -0.355 120.298 120.400 0.421 0.000 2.087 61 K HA 0.762 5.081 4.320 -0.001 0.000 0.255 61 K C 0.061 176.976 176.600 0.525 0.000 0.988 61 K CA -0.476 56.028 56.287 0.362 0.000 0.915 61 K CB 1.740 34.361 32.500 0.202 0.000 1.043 61 K HN 0.750 nan 8.250 nan 0.000 0.457 62 I N -2.119 118.674 120.570 0.371 0.000 2.827 62 I HA 0.485 4.654 4.170 -0.001 0.000 0.298 62 I C -1.150 175.123 176.117 0.260 0.000 1.235 62 I CA -1.170 60.328 61.300 0.331 0.000 1.021 62 I CB 2.328 40.606 38.000 0.463 0.000 1.259 62 I HN 0.478 nan 8.210 nan 0.000 0.427 63 R N 3.064 123.641 120.500 0.129 0.000 2.387 63 R HA 0.741 5.080 4.340 -0.001 0.000 0.314 63 R C -0.522 175.678 176.300 -0.166 0.000 0.958 63 R CA -0.430 55.669 56.100 -0.002 0.000 0.846 63 R CB 1.839 32.120 30.300 -0.032 0.000 1.147 63 R HN 1.049 nan 8.270 nan 0.000 0.447 64 G N 4.172 112.668 108.800 -0.507 0.000 2.400 64 G HA2 0.370 4.329 3.960 -0.001 0.000 0.333 64 G HA3 0.370 4.329 3.960 -0.001 0.000 0.333 64 G C -0.799 173.796 174.900 -0.508 0.000 1.143 64 G CA -0.883 43.704 45.100 -0.856 0.000 0.914 64 G HN 0.705 nan 8.290 nan 0.000 0.480 65 I N 0.812 121.162 120.570 -0.367 0.000 2.395 65 I HA 0.449 4.618 4.170 -0.001 0.000 0.289 65 I C 0.365 176.364 176.117 -0.198 0.000 1.023 65 I CA -0.832 60.330 61.300 -0.231 0.000 1.350 65 I CB 0.999 38.888 38.000 -0.184 0.000 1.409 65 I HN 0.401 nan 8.210 nan 0.000 0.507 66 K N 6.873 127.194 120.400 -0.132 0.000 2.126 66 K HA 0.367 4.687 4.320 -0.001 0.000 0.257 66 K C -1.029 175.543 176.600 -0.046 0.000 1.007 66 K CA -0.498 55.745 56.287 -0.073 0.000 0.928 66 K CB 0.782 33.255 32.500 -0.045 0.000 1.013 66 K HN 0.512 nan 8.250 nan 0.000 0.473 67 K N 1.944 122.339 120.400 -0.008 0.000 2.508 67 K HA 0.306 4.625 4.320 -0.001 0.000 0.260 67 K C -1.117 175.498 176.600 0.025 0.000 0.949 67 K CA -0.792 55.499 56.287 0.006 0.000 0.834 67 K CB 1.884 34.396 32.500 0.019 0.000 1.365 67 K HN 0.624 nan 8.250 nan 0.000 0.437 68 E N 1.359 121.571 120.200 0.019 0.000 2.227 68 E HA 0.467 4.817 4.350 -0.001 0.000 0.268 68 E C -0.388 176.228 176.600 0.026 0.000 0.990 68 E CA -1.034 55.379 56.400 0.022 0.000 0.856 68 E CB 1.340 31.047 29.700 0.011 0.000 1.159 68 E HN 0.217 nan 8.360 nan 0.000 0.401 69 L N 1.509 122.747 121.223 0.025 0.000 2.334 69 L HA 0.266 4.605 4.340 -0.001 0.000 0.273 69 L C 0.952 177.825 176.870 0.005 0.000 1.013 69 L CA -0.493 54.358 54.840 0.018 0.000 0.816 69 L CB 0.842 42.914 42.059 0.021 0.000 1.278 69 L HN 0.362 nan 8.230 nan 0.000 0.431 70 N N 1.587 120.285 118.700 -0.003 0.000 2.654 70 N HA -0.074 4.665 4.740 -0.001 0.000 0.204 70 N C -0.596 174.904 175.510 -0.017 0.000 1.446 70 N CA 0.413 53.458 53.050 -0.009 0.000 0.895 70 N CB -0.285 38.196 38.487 -0.010 0.000 1.132 70 N HN 0.501 nan 8.380 nan 0.000 0.462 71 N N -0.279 118.412 118.700 -0.015 0.000 2.277 71 N HA 0.139 4.878 4.740 -0.001 0.000 0.286 71 N C -0.762 174.746 175.510 -0.004 0.000 1.140 71 N CA -0.330 52.709 53.050 -0.019 0.000 0.799 71 N CB 1.340 39.804 38.487 -0.037 0.000 1.596 71 N HN -0.080 nan 8.380 nan 0.000 0.473 72 E N 1.592 121.790 120.200 -0.003 0.000 2.403 72 E HA 0.311 4.660 4.350 -0.001 0.000 0.188 72 E C 0.599 177.206 176.600 0.012 0.000 1.056 72 E CA 0.280 56.683 56.400 0.005 0.000 0.892 72 E CB 0.143 29.844 29.700 0.003 0.000 1.049 72 E HN 0.563 nan 8.360 nan 0.000 0.465 73 I N -0.922 119.657 120.570 0.016 0.000 4.312 73 I HA 0.102 4.271 4.170 -0.001 0.000 0.324 73 I C 0.167 176.316 176.117 0.054 0.000 1.298 73 I CA -0.074 61.247 61.300 0.034 0.000 1.231 73 I CB 0.478 38.501 38.000 0.039 0.000 1.152 73 I HN -0.044 nan 8.210 nan 0.000 0.421 74 L N 2.337 123.587 121.223 0.046 0.000 2.281 74 L HA 0.437 4.777 4.340 -0.001 0.000 0.285 74 L C 1.059 177.958 176.870 0.048 0.000 1.074 74 L CA -0.427 54.450 54.840 0.062 0.000 0.817 74 L CB 0.649 42.736 42.059 0.047 0.000 1.168 74 L HN 0.095 nan 8.230 nan 0.000 0.434 75 G N 4.253 113.084 108.800 0.053 0.000 2.527 75 G HA2 0.275 4.234 3.960 -0.001 0.000 0.279 75 G HA3 0.275 4.234 3.960 -0.001 0.000 0.279 75 G C -2.348 172.582 174.900 0.051 0.000 1.374 75 G CA -0.549 44.579 45.100 0.046 0.000 1.053 75 G HN 0.429 nan 8.290 nan 0.000 0.539 76 P HA 0.547 nan 4.420 nan 0.000 0.284 76 P C -1.111 176.236 177.300 0.079 0.000 1.292 76 P CA -0.512 62.621 63.100 0.055 0.000 0.800 76 P CB 1.971 33.696 31.700 0.042 0.000 1.188 77 V N 0.344 120.311 119.914 0.088 0.000 2.851 77 V HA 0.254 4.373 4.120 -0.001 0.000 0.307 77 V C -0.282 175.878 176.094 0.111 0.000 1.129 77 V CA -0.650 61.727 62.300 0.129 0.000 0.932 77 V CB 2.163 34.091 31.823 0.175 0.000 1.024 77 V HN 0.326 nan 8.190 nan 0.000 0.426 78 I N 3.552 124.212 120.570 0.150 0.000 2.297 78 I HA 0.422 4.591 4.170 -0.001 0.000 0.291 78 I C 0.185 176.374 176.117 0.120 0.000 1.033 78 I CA -0.282 61.072 61.300 0.090 0.000 1.253 78 I CB 0.992 39.096 38.000 0.174 0.000 1.396 78 I HN 0.705 nan 8.210 nan 0.000 0.476 79 Q N 5.683 125.439 119.800 -0.074 0.000 2.257 79 Q HA 0.469 4.809 4.340 -0.001 0.000 0.255 79 Q C -1.352 174.532 176.000 -0.193 0.000 0.920 79 Q CA -0.353 55.365 55.803 -0.142 0.000 0.927 79 Q CB 1.642 30.220 28.738 -0.268 0.000 1.229 79 Q HN 0.368 nan 8.270 nan 0.000 0.433 80 F N 3.021 122.895 119.950 -0.128 0.000 2.363 80 F HA 0.326 4.853 4.527 -0.001 0.000 0.366 80 F C -0.430 175.328 175.800 -0.070 0.000 1.083 80 F CA -0.586 57.410 58.000 -0.007 0.000 1.176 80 F CB 0.429 39.544 39.000 0.192 0.000 1.432 80 F HN 0.268 nan 8.300 nan 0.000 0.482 81 L N 1.882 123.090 121.223 -0.024 0.000 2.326 81 L HA 0.621 4.961 4.340 -0.001 0.000 0.278 81 L C 1.187 178.079 176.870 0.036 0.000 1.092 81 L CA -0.410 54.407 54.840 -0.039 0.000 0.810 81 L CB 1.030 42.897 42.059 -0.320 0.000 1.153 81 L HN 0.811 nan 8.230 nan 0.000 0.439 82 G N 2.070 110.946 108.800 0.126 0.000 2.157 82 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.248 82 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.248 82 G C 0.104 175.111 174.900 0.178 0.000 0.979 82 G CA -0.178 44.959 45.100 0.063 0.000 0.650 82 G HN 0.389 nan 8.290 nan 0.000 0.529 83 V N 3.069 123.100 119.914 0.194 0.000 2.557 83 V HA 0.291 4.411 4.120 -0.001 0.000 0.301 83 V C -0.994 175.196 176.094 0.161 0.000 1.026 83 V CA -0.088 62.312 62.300 0.167 0.000 1.137 83 V CB 0.816 32.666 31.823 0.045 0.000 0.917 83 V HN 0.346 nan 8.190 nan 0.000 0.484 84 P HA 0.204 nan 4.420 nan 0.000 0.287 84 P C -0.688 176.416 177.300 -0.327 0.000 1.294 84 P CA -0.235 62.714 63.100 -0.253 0.000 0.776 84 P CB 0.644 32.237 31.700 -0.178 0.000 0.889 85 Y N 2.277 122.282 120.300 -0.492 0.000 2.507 85 Y HA 0.742 5.291 4.550 -0.001 0.000 0.254 85 Y C -0.039 175.729 175.900 -0.220 0.000 1.171 85 Y CA -0.931 56.858 58.100 -0.518 0.000 1.238 85 Y CB 0.191 38.330 38.460 -0.536 0.000 1.148 85 Y HN 0.497 nan 8.280 nan 0.000 0.525 86 A N 0.578 123.039 122.820 -0.598 0.000 2.566 86 A HA 0.774 5.093 4.320 -0.001 0.000 0.290 86 A C -1.186 176.131 177.584 -0.444 0.000 1.071 86 A CA -0.741 51.034 52.037 -0.436 0.000 0.658 86 A CB -0.065 18.672 19.000 -0.439 0.000 1.285 86 A HN 0.695 nan 8.150 nan 0.000 0.427 87 A N 1.189 123.820 122.820 -0.316 0.000 2.450 87 A HA 0.618 4.938 4.320 -0.001 0.000 0.255 87 A C -2.409 175.007 177.584 -0.280 0.000 1.096 87 A CA -1.032 50.844 52.037 -0.270 0.000 0.778 87 A CB -0.799 18.050 19.000 -0.252 0.000 1.031 87 A HN 0.459 nan 8.150 nan 0.000 0.494 88 P HA 0.045 nan 4.420 nan 0.000 0.260 88 P C -2.258 174.971 177.300 -0.119 0.000 1.172 88 P CA -0.416 62.583 63.100 -0.169 0.000 0.760 88 P CB 0.126 31.778 31.700 -0.079 0.000 0.773 89 P HA 0.013 nan 4.420 nan 0.000 0.226 89 P C -0.588 176.651 177.300 -0.100 0.000 1.783 89 P CA 0.140 63.162 63.100 -0.130 0.000 0.980 89 P CB -0.331 31.251 31.700 -0.197 0.000 1.967 90 T N -3.436 111.113 114.554 -0.008 0.000 2.912 90 T HA 0.610 4.960 4.350 -0.001 0.000 0.288 90 T C 0.937 175.608 174.700 -0.048 0.000 1.030 90 T CA 0.126 62.206 62.100 -0.035 0.000 1.020 90 T CB 1.991 70.847 68.868 -0.020 0.000 1.056 90 T HN 0.289 nan 8.240 nan 0.000 0.480 91 G N 3.023 111.785 108.800 -0.064 0.000 2.815 91 G HA2 -0.419 3.540 3.960 -0.001 0.000 0.326 91 G HA3 -0.419 3.540 3.960 -0.001 0.000 0.326 91 G C 0.867 175.711 174.900 -0.093 0.000 1.191 91 G CA 0.966 46.021 45.100 -0.075 0.000 0.965 91 G HN 1.228 nan 8.290 nan 0.000 0.564 92 E N 0.002 120.095 120.200 -0.178 0.000 2.442 92 E HA 0.105 4.454 4.350 -0.001 0.000 0.195 92 E C 1.744 178.267 176.600 -0.129 0.000 1.030 92 E CA 0.955 57.254 56.400 -0.169 0.000 0.869 92 E CB -0.098 29.459 29.700 -0.238 0.000 0.857 92 E HN 0.668 nan 8.360 nan 0.000 0.505 93 H N 0.975 120.004 119.070 -0.068 0.000 2.548 93 H HA 0.169 4.724 4.556 -0.001 0.000 0.265 93 H C 0.446 175.666 175.328 -0.181 0.000 0.969 93 H CA 0.114 56.101 56.048 -0.101 0.000 1.155 93 H CB -0.068 29.634 29.762 -0.098 0.000 1.394 93 H HN 0.104 nan 8.280 nan 0.000 0.570 94 R N 0.372 120.805 120.500 -0.111 0.000 2.491 94 R HA -0.019 4.320 4.340 -0.001 0.000 0.283 94 R C -0.429 175.650 176.300 -0.368 0.000 1.072 94 R CA -0.077 55.804 56.100 -0.364 0.000 1.048 94 R CB -0.087 29.965 30.300 -0.412 0.000 0.983 94 R HN 0.013 nan 8.270 nan 0.000 0.450 95 F N 0.163 119.778 119.950 -0.558 0.000 3.018 95 F HA -0.237 4.289 4.527 -0.001 0.000 0.287 95 F C -0.389 174.839 175.800 -0.954 0.000 0.813 95 F CA 0.865 58.238 58.000 -1.045 0.000 1.209 95 F CB -1.540 37.195 39.000 -0.441 0.000 1.321 95 F HN 0.587 nan 8.300 nan 0.000 0.477 96 Q N -0.531 118.966 119.800 -0.505 0.000 2.372 96 Q HA 0.500 4.840 4.340 -0.001 0.000 0.273 96 Q C -2.311 173.673 176.000 -0.027 0.000 1.078 96 Q CA -2.015 53.711 55.803 -0.128 0.000 0.806 96 Q CB 2.117 30.859 28.738 0.006 0.000 1.332 96 Q HN -0.200 nan 8.270 nan 0.000 0.435 97 P HA -0.010 nan 4.420 nan 0.000 0.264 97 P C -2.273 175.041 177.300 0.023 0.000 1.179 97 P CA -0.377 62.795 63.100 0.119 0.000 0.763 97 P CB -0.107 31.668 31.700 0.125 0.000 0.806 98 P HA 0.059 nan 4.420 nan 0.000 0.269 98 P C -0.407 176.856 177.300 -0.061 0.000 1.215 98 P CA 0.368 63.437 63.100 -0.051 0.000 0.780 98 P CB 0.828 32.526 31.700 -0.003 0.000 0.898 99 E N 1.646 121.759 120.200 -0.146 0.000 2.235 99 E HA 0.470 4.819 4.350 -0.001 0.000 0.265 99 E C -2.304 174.238 176.600 -0.098 0.000 0.940 99 E CA -2.334 53.987 56.400 -0.131 0.000 0.819 99 E CB 0.552 30.102 29.700 -0.251 0.000 1.206 99 E HN 0.300 nan 8.360 nan 0.000 0.409 100 P HA 0.112 nan 4.420 nan 0.000 0.269 100 P C -2.360 174.841 177.300 -0.166 0.000 1.215 100 P CA -0.801 62.288 63.100 -0.017 0.000 0.780 100 P CB -0.002 31.753 31.700 0.092 0.000 0.898 101 P HA 0.100 nan 4.420 nan 0.000 0.276 101 P C -0.771 176.277 177.300 -0.420 0.000 1.244 101 P CA -0.077 62.776 63.100 -0.412 0.000 0.801 101 P CB 0.688 32.103 31.700 -0.475 0.000 1.006 102 S N 2.583 118.183 115.700 -0.166 0.000 2.537 102 S HA 0.396 4.865 4.470 -0.001 0.000 0.275 102 S C -1.785 172.845 174.600 0.049 0.000 1.272 102 S CA -0.902 57.278 58.200 -0.034 0.000 1.050 102 S CB 0.092 63.315 63.200 0.037 0.000 0.961 102 S HN 0.465 nan 8.310 nan 0.000 0.496 103 P HA 0.391 nan 4.420 nan 0.000 0.276 103 P C -1.250 176.089 177.300 0.065 0.000 1.244 103 P CA -0.627 62.419 63.100 -0.091 0.000 0.801 103 P CB 0.549 32.226 31.700 -0.037 0.000 1.006 104 W N 0.136 121.518 121.300 0.137 0.000 2.864 104 W HA 0.585 5.244 4.660 -0.001 0.000 0.343 104 W C 0.790 177.363 176.519 0.089 0.000 1.109 104 W CA -0.539 56.864 57.345 0.097 0.000 1.192 104 W CB 0.132 29.649 29.460 0.095 0.000 1.426 104 W HN 0.372 nan 8.180 nan 0.000 0.529 105 S N -0.016 115.827 115.700 0.238 0.000 2.371 105 S HA -0.106 4.363 4.470 -0.001 0.000 0.219 105 S C 0.861 175.589 174.600 0.214 0.000 1.040 105 S CA 1.123 59.406 58.200 0.138 0.000 0.958 105 S CB -1.064 62.195 63.200 0.098 0.000 0.860 105 S HN 0.695 nan 8.310 nan 0.000 0.487 106 D N 2.341 122.893 120.400 0.254 0.000 1.848 106 D HA -0.018 4.621 4.640 -0.001 0.000 0.246 106 D C 0.184 176.655 176.300 0.286 0.000 1.150 106 D CA 0.108 54.235 54.000 0.211 0.000 0.936 106 D CB -0.095 40.794 40.800 0.149 0.000 1.396 106 D HN 0.377 nan 8.370 nan 0.000 0.508 107 I N -0.273 120.406 120.570 0.183 0.000 2.418 107 I HA 0.186 4.355 4.170 -0.001 0.000 0.287 107 I C 0.333 176.468 176.117 0.029 0.000 1.008 107 I CA -0.758 60.638 61.300 0.160 0.000 1.104 107 I CB 1.849 39.908 38.000 0.097 0.000 1.264 107 I HN 0.172 nan 8.210 nan 0.000 0.438 108 R N 5.828 126.284 120.500 -0.075 0.000 2.265 108 R HA 0.241 4.581 4.340 -0.001 0.000 0.314 108 R C -0.483 175.737 176.300 -0.134 0.000 1.053 108 R CA -0.619 55.304 56.100 -0.295 0.000 0.931 108 R CB 0.641 30.456 30.300 -0.809 0.000 1.024 108 R HN 0.520 nan 8.270 nan 0.000 0.457 109 N N 2.929 121.553 118.700 -0.127 0.000 2.406 109 N HA 0.035 4.774 4.740 -0.001 0.000 0.265 109 N C -0.785 174.670 175.510 -0.091 0.000 1.203 109 N CA 0.236 53.232 53.050 -0.090 0.000 0.945 109 N CB 1.516 39.949 38.487 -0.089 0.000 1.165 109 N HN 0.531 nan 8.380 nan 0.000 0.485 110 A N 1.870 124.660 122.820 -0.050 0.000 3.056 110 A HA 0.292 4.612 4.320 -0.001 0.000 0.328 110 A C 0.908 178.443 177.584 -0.081 0.000 1.233 110 A CA -0.600 51.426 52.037 -0.019 0.000 0.965 110 A CB -0.318 18.760 19.000 0.129 0.000 1.123 110 A HN 0.531 nan 8.150 nan 0.000 0.502 111 T N -2.530 111.951 114.554 -0.122 0.000 3.091 111 T HA 0.357 4.707 4.350 -0.001 0.000 0.277 111 T C 0.093 174.671 174.700 -0.202 0.000 0.996 111 T CA 0.003 62.003 62.100 -0.168 0.000 0.897 111 T CB -0.449 68.330 68.868 -0.148 0.000 1.109 111 T HN 0.770 nan 8.240 nan 0.000 0.534 112 Q N 0.186 119.867 119.800 -0.199 0.000 2.479 112 Q HA 0.556 4.895 4.340 -0.001 0.000 0.276 112 Q C -1.548 174.354 176.000 -0.163 0.000 0.989 112 Q CA -1.152 54.505 55.803 -0.243 0.000 0.864 112 Q CB 0.478 29.122 28.738 -0.156 0.000 1.444 112 Q HN 0.005 nan 8.270 nan 0.000 0.388 113 F N 1.518 121.438 119.950 -0.049 0.000 2.635 113 F HA 0.252 4.779 4.527 -0.001 0.000 0.379 113 F C 0.997 176.724 175.800 -0.122 0.000 1.094 113 F CA 0.739 58.711 58.000 -0.048 0.000 1.300 113 F CB 0.246 39.252 39.000 0.009 0.000 1.035 113 F HN 0.735 nan 8.300 nan 0.000 0.581 114 A N 5.147 127.979 122.820 0.020 0.000 2.271 114 A HA 0.622 4.941 4.320 -0.001 0.000 0.288 114 A C -2.289 175.201 177.584 -0.158 0.000 1.094 114 A CA -1.705 50.169 52.037 -0.272 0.000 0.828 114 A CB -0.211 18.289 19.000 -0.834 0.000 1.091 114 A HN 0.520 nan 8.150 nan 0.000 0.493 115 P HA 0.166 nan 4.420 nan 0.000 0.267 115 P C -0.055 177.211 177.300 -0.058 0.000 1.195 115 P CA 0.101 63.147 63.100 -0.091 0.000 0.773 115 P CB 0.267 31.912 31.700 -0.091 0.000 0.837 116 V N 0.463 120.352 119.914 -0.041 0.000 3.134 116 V HA 0.407 4.526 4.120 -0.001 0.000 0.313 116 V C 0.069 176.128 176.094 -0.059 0.000 1.069 116 V CA -0.601 61.674 62.300 -0.041 0.000 1.048 116 V CB 0.777 32.576 31.823 -0.039 0.000 1.119 116 V HN 0.525 nan 8.190 nan 0.000 0.461 117 c N 1.934 120.494 118.600 -0.067 0.000 2.595 117 c HA 0.408 4.978 4.570 -0.001 0.000 0.384 117 c C -2.129 171.904 174.090 -0.096 0.000 1.289 117 c CA -0.380 55.884 56.329 -0.108 0.000 2.372 117 c CB -0.176 42.268 42.510 -0.110 0.000 2.593 117 c HN 0.808 nan 8.230 nan 0.000 0.639 118 P HA 0.086 nan 4.420 nan 0.000 0.258 118 P C -0.592 176.714 177.300 0.010 0.000 1.187 118 P CA 0.850 63.908 63.100 -0.069 0.000 0.767 118 P CB -0.020 31.608 31.700 -0.121 0.000 0.770 119 Q N 2.248 122.079 119.800 0.052 0.000 2.685 119 Q HA 0.558 4.897 4.340 -0.001 0.000 0.301 119 Q C -1.466 174.581 176.000 0.079 0.000 0.924 119 Q CA -1.098 54.746 55.803 0.068 0.000 0.755 119 Q CB 1.698 30.479 28.738 0.072 0.000 1.470 119 Q HN 0.132 nan 8.270 nan 0.000 0.434 120 N N 0.846 119.595 118.700 0.082 0.000 2.629 120 N HA 0.221 4.961 4.740 -0.001 0.000 0.277 120 N C -0.588 174.971 175.510 0.082 0.000 1.188 120 N CA -0.272 52.823 53.050 0.075 0.000 0.835 120 N CB 1.350 39.878 38.487 0.069 0.000 1.420 120 N HN 0.895 nan 8.380 nan 0.000 0.542 121 I N 1.889 122.511 120.570 0.087 0.000 3.339 121 I HA 0.136 4.305 4.170 -0.001 0.000 0.285 121 I C 1.951 178.112 176.117 0.072 0.000 1.201 121 I CA -0.139 61.225 61.300 0.107 0.000 1.434 121 I CB -0.188 37.911 38.000 0.166 0.000 1.152 121 I HN 0.325 nan 8.210 nan 0.000 0.443 122 I N 2.697 123.294 120.570 0.045 0.000 2.148 122 I HA -0.350 3.820 4.170 -0.001 0.000 0.229 122 I C 0.844 176.980 176.117 0.030 0.000 0.993 122 I CA 1.748 63.064 61.300 0.026 0.000 1.295 122 I CB -1.667 36.344 38.000 0.019 0.000 1.004 122 I HN 0.325 nan 8.210 nan 0.000 0.386 123 D N 2.329 122.749 120.400 0.033 0.000 2.483 123 D HA 0.010 4.649 4.640 -0.001 0.000 0.261 123 D C 1.243 177.566 176.300 0.037 0.000 1.318 123 D CA 0.640 54.659 54.000 0.032 0.000 1.201 123 D CB -0.576 40.243 40.800 0.031 0.000 1.127 123 D HN 0.691 nan 8.370 nan 0.000 0.519 124 G N 3.019 111.841 108.800 0.036 0.000 2.198 124 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.275 124 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.275 124 G C 1.123 176.047 174.900 0.040 0.000 0.669 124 G CA 0.730 45.854 45.100 0.040 0.000 0.765 124 G HN 0.721 nan 8.290 nan 0.000 0.488 125 R N -0.854 119.672 120.500 0.043 0.000 2.317 125 R HA 0.235 4.574 4.340 -0.001 0.000 0.208 125 R C 0.545 176.866 176.300 0.035 0.000 0.914 125 R CA -0.404 55.720 56.100 0.041 0.000 1.060 125 R CB -0.101 30.227 30.300 0.047 0.000 1.015 125 R HN 0.282 nan 8.270 nan 0.000 0.498 126 L N 1.103 122.348 121.223 0.037 0.000 2.367 126 L HA 0.424 4.764 4.340 -0.001 0.000 0.275 126 L C -2.212 174.657 176.870 -0.001 0.000 1.129 126 L CA -2.527 52.322 54.840 0.015 0.000 0.839 126 L CB -0.442 41.639 42.059 0.038 0.000 1.133 126 L HN -0.063 nan 8.230 nan 0.000 0.453 127 P HA 0.004 nan 4.420 nan 0.000 0.258 127 P C 0.381 177.667 177.300 -0.024 0.000 1.563 127 P CA 0.025 63.109 63.100 -0.026 0.000 1.241 127 P CB 0.435 32.091 31.700 -0.073 0.000 1.811 128 E N 1.515 121.730 120.200 0.025 0.000 2.196 128 E HA -0.242 4.107 4.350 -0.001 0.000 0.222 128 E C 1.833 178.474 176.600 0.069 0.000 1.072 128 E CA 2.372 58.799 56.400 0.045 0.000 0.902 128 E CB -0.703 29.041 29.700 0.073 0.000 0.780 128 E HN 0.459 nan 8.360 nan 0.000 0.467 129 V N -1.406 118.592 119.914 0.141 0.000 2.407 129 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 129 V C 2.341 178.549 176.094 0.189 0.000 1.055 129 V CA 1.909 64.371 62.300 0.270 0.000 1.049 129 V CB -0.574 31.541 31.823 0.486 0.000 0.662 129 V HN 0.145 nan 8.190 nan 0.000 0.455 130 M N -0.174 119.351 119.600 -0.125 0.000 2.175 130 M HA 0.088 4.567 4.480 -0.001 0.000 0.264 130 M C 0.575 176.786 176.300 -0.147 0.000 1.063 130 M CA 1.151 56.192 55.300 -0.431 0.000 1.119 130 M CB -0.211 31.938 32.600 -0.753 0.000 1.377 130 M HN 0.340 nan 8.290 nan 0.000 0.415 131 L N 0.968 122.075 121.223 -0.193 0.000 2.436 131 L HA 0.186 4.526 4.340 -0.001 0.000 0.265 131 L C -1.826 174.874 176.870 -0.284 0.000 1.168 131 L CA -1.619 53.016 54.840 -0.342 0.000 0.815 131 L CB -0.637 41.133 42.059 -0.482 0.000 1.109 131 L HN -0.035 nan 8.230 nan 0.000 0.462 132 P HA 0.006 nan 4.420 nan 0.000 0.270 132 P C 0.837 177.854 177.300 -0.472 0.000 1.223 132 P CA -0.247 62.454 63.100 -0.665 0.000 0.785 132 P CB 0.946 32.041 31.700 -1.008 0.000 0.923 133 V N 1.897 121.656 119.914 -0.259 0.000 2.270 133 V HA -0.200 3.919 4.120 -0.001 0.000 0.245 133 V C 2.457 178.499 176.094 -0.087 0.000 1.043 133 V CA 2.197 64.439 62.300 -0.096 0.000 1.014 133 V CB -1.547 30.285 31.823 0.016 0.000 0.645 133 V HN 0.742 nan 8.190 nan 0.000 0.447 134 W N -0.407 120.914 121.300 0.034 0.000 2.331 134 W HA -0.290 4.369 4.660 -0.001 0.000 0.291 134 W C 2.275 178.745 176.519 -0.082 0.000 1.214 134 W CA 1.281 58.596 57.345 -0.049 0.000 1.228 134 W CB -1.298 28.108 29.460 -0.090 0.000 1.135 134 W HN 0.340 nan 8.180 nan 0.000 0.537 135 F N 2.851 122.312 119.950 -0.815 0.000 2.163 135 F HA -0.098 4.429 4.527 -0.001 0.000 0.297 135 F C 2.550 178.167 175.800 -0.306 0.000 1.094 135 F CA 2.758 60.333 58.000 -0.708 0.000 1.290 135 F CB -0.642 37.678 39.000 -1.133 0.000 1.017 135 F HN -0.277 nan 8.300 nan 0.000 0.483 136 T N 0.229 114.806 114.554 0.039 0.000 2.732 136 T HA -0.138 4.211 4.350 -0.001 0.000 0.261 136 T C 1.163 175.853 174.700 -0.017 0.000 1.040 136 T CA 1.389 63.517 62.100 0.046 0.000 1.145 136 T CB -0.456 68.432 68.868 0.034 0.000 0.866 136 T HN 0.083 nan 8.240 nan 0.000 0.427 137 N N 2.331 121.021 118.700 -0.016 0.000 2.585 137 N HA 0.062 4.802 4.740 -0.001 0.000 0.213 137 N C 0.336 175.828 175.510 -0.030 0.000 1.385 137 N CA 0.189 53.232 53.050 -0.011 0.000 0.871 137 N CB -0.168 38.324 38.487 0.008 0.000 1.154 137 N HN 0.201 nan 8.380 nan 0.000 0.474 138 N N -0.547 118.113 118.700 -0.067 0.000 2.566 138 N HA 0.033 4.772 4.740 -0.001 0.000 0.221 138 N C 0.540 175.959 175.510 -0.152 0.000 1.363 138 N CA 0.008 53.005 53.050 -0.089 0.000 1.517 138 N CB -0.457 37.982 38.487 -0.080 0.000 1.312 138 N HN 0.063 nan 8.380 nan 0.000 0.601 139 L N 0.051 121.179 121.223 -0.158 0.000 2.197 139 L HA -0.233 4.106 4.340 -0.001 0.000 0.215 139 L C 1.557 178.337 176.870 -0.150 0.000 1.095 139 L CA 1.457 56.176 54.840 -0.203 0.000 0.764 139 L CB -0.143 41.851 42.059 -0.108 0.000 0.897 139 L HN 0.242 nan 8.230 nan 0.000 0.436 140 D N -0.175 120.167 120.400 -0.096 0.000 2.119 140 D HA -0.188 4.452 4.640 -0.001 0.000 0.199 140 D C 2.163 178.429 176.300 -0.057 0.000 0.987 140 D CA 1.743 55.704 54.000 -0.064 0.000 0.858 140 D CB -0.491 40.280 40.800 -0.049 0.000 1.008 140 D HN 0.126 nan 8.370 nan 0.000 0.450 141 V N 1.431 121.317 119.914 -0.046 0.000 2.370 141 V HA -0.249 3.870 4.120 -0.001 0.000 0.252 141 V C 2.742 178.893 176.094 0.095 0.000 1.068 141 V CA 1.299 63.604 62.300 0.008 0.000 1.061 141 V CB -0.667 31.164 31.823 0.013 0.000 0.656 141 V HN 0.058 nan 8.190 nan 0.000 0.455 142 V N -0.378 119.503 119.914 -0.054 0.000 2.295 142 V HA -0.264 3.856 4.120 -0.001 0.000 0.246 142 V C 2.550 178.643 176.094 -0.001 0.000 1.049 142 V CA 2.360 64.580 62.300 -0.132 0.000 1.024 142 V CB -0.770 30.687 31.823 -0.611 0.000 0.648 142 V HN 0.569 nan 8.190 nan 0.000 0.447 143 S N 0.850 116.518 115.700 -0.052 0.000 2.370 143 S HA -0.173 4.296 4.470 -0.001 0.000 0.226 143 S C 1.835 176.446 174.600 0.017 0.000 1.033 143 S CA 1.649 59.840 58.200 -0.014 0.000 1.011 143 S CB -0.432 62.750 63.200 -0.029 0.000 0.852 143 S HN 0.811 nan 8.310 nan 0.000 0.457 144 S N -0.128 115.571 115.700 -0.001 0.000 2.954 144 S HA 0.131 4.601 4.470 -0.001 0.000 0.234 144 S C 0.598 175.095 174.600 -0.171 0.000 0.978 144 S CA 0.083 58.234 58.200 -0.082 0.000 1.045 144 S CB -0.485 62.635 63.200 -0.133 0.000 0.807 144 S HN 0.558 nan 8.310 nan 0.000 0.508 145 Y N -0.313 119.953 120.300 -0.057 0.000 2.912 145 Y HA 0.204 4.753 4.550 -0.001 0.000 0.250 145 Y C 1.832 177.696 175.900 -0.060 0.000 1.073 145 Y CA 0.126 58.188 58.100 -0.064 0.000 1.275 145 Y CB 0.544 38.946 38.460 -0.097 0.000 1.470 145 Y HN 0.312 nan 8.280 nan 0.000 0.447 146 V N 0.198 120.191 119.914 0.132 0.000 3.499 146 V HA 0.012 4.131 4.120 -0.001 0.000 0.308 146 V C 1.266 177.387 176.094 0.044 0.000 1.319 146 V CA 0.748 63.088 62.300 0.067 0.000 1.194 146 V CB -0.754 31.110 31.823 0.069 0.000 1.072 146 V HN 0.528 nan 8.190 nan 0.000 0.426 147 Q N 0.303 120.122 119.800 0.032 0.000 2.230 147 Q HA -0.052 4.288 4.340 -0.001 0.000 0.202 147 Q C 0.664 176.675 176.000 0.019 0.000 0.963 147 Q CA 1.358 57.172 55.803 0.018 0.000 0.866 147 Q CB -0.117 28.620 28.738 -0.002 0.000 0.931 147 Q HN 0.563 nan 8.270 nan 0.000 0.452 148 D N 1.415 121.824 120.400 0.015 0.000 2.485 148 D HA 0.158 4.798 4.640 -0.001 0.000 0.221 148 D C -0.859 175.446 176.300 0.008 0.000 1.112 148 D CA -0.161 53.845 54.000 0.011 0.000 0.911 148 D CB 0.559 41.359 40.800 0.001 0.000 1.019 148 D HN 0.226 nan 8.370 nan 0.000 0.516 149 Q N 0.923 120.739 119.800 0.027 0.000 2.169 149 Q HA 0.687 5.026 4.340 -0.001 0.000 0.234 149 Q C -0.705 175.279 176.000 -0.027 0.000 0.980 149 Q CA -1.019 54.786 55.803 0.003 0.000 0.941 149 Q CB 1.818 30.586 28.738 0.049 0.000 1.199 149 Q HN 0.352 nan 8.270 nan 0.000 0.496 150 S N -1.103 114.488 115.700 -0.182 0.000 2.678 150 S HA 0.000 4.470 4.470 -0.001 0.000 0.290 150 S C -0.375 173.926 174.600 -0.498 0.000 1.047 150 S CA -0.579 57.458 58.200 -0.272 0.000 0.851 150 S CB 1.275 64.414 63.200 -0.102 0.000 1.058 150 S HN 0.806 nan 8.310 nan 0.000 0.451 151 E N 1.515 121.329 120.200 -0.642 0.000 2.274 151 E HA -0.066 4.284 4.350 -0.001 0.000 0.194 151 E C 0.116 176.566 176.600 -0.250 0.000 0.996 151 E CA 0.891 56.981 56.400 -0.517 0.000 0.840 151 E CB 0.085 29.563 29.700 -0.369 0.000 0.772 151 E HN 0.558 nan 8.360 nan 0.000 0.491 152 D N -0.271 120.042 120.400 -0.144 0.000 2.468 152 D HA 0.013 4.653 4.640 -0.001 0.000 0.218 152 D C 0.158 176.511 176.300 0.088 0.000 1.155 152 D CA -0.371 53.604 54.000 -0.042 0.000 0.924 152 D CB 0.306 41.116 40.800 0.017 0.000 1.029 152 D HN 0.194 nan 8.370 nan 0.000 0.515 153 c N 2.306 120.926 118.600 0.035 0.000 3.642 153 c HA 0.358 4.928 4.570 -0.001 0.000 0.305 153 c C 0.978 175.175 174.090 0.178 0.000 1.492 153 c CA -0.690 55.741 56.329 0.169 0.000 1.809 153 c CB -1.330 41.184 42.510 0.007 0.000 2.639 153 c HN 0.489 nan 8.230 nan 0.000 0.672 154 L N 2.559 123.652 121.223 -0.217 0.000 2.583 154 L HA 0.194 4.533 4.340 -0.001 0.000 0.280 154 L C -0.820 175.540 176.870 -0.850 0.000 1.261 154 L CA 0.921 55.448 54.840 -0.522 0.000 1.164 154 L CB -1.135 40.456 42.059 -0.781 0.000 1.402 154 L HN 0.412 nan 8.230 nan 0.000 0.443 155 Y N 1.944 122.213 120.300 -0.052 0.000 2.581 155 Y HA 0.677 5.226 4.550 -0.001 0.000 0.345 155 Y C -0.131 175.934 175.900 0.275 0.000 1.036 155 Y CA -1.370 56.772 58.100 0.069 0.000 1.042 155 Y CB 1.912 40.378 38.460 0.011 0.000 1.289 155 Y HN 0.186 nan 8.280 nan 0.000 0.471 156 L N -0.117 121.309 121.223 0.338 0.000 2.371 156 L HA 0.764 5.104 4.340 -0.001 0.000 0.262 156 L C -1.377 175.591 176.870 0.163 0.000 1.006 156 L CA -1.095 53.856 54.840 0.185 0.000 0.818 156 L CB 1.914 43.958 42.059 -0.025 0.000 1.354 156 L HN 0.434 nan 8.230 nan 0.000 0.415 157 N N 2.294 121.124 118.700 0.216 0.000 2.399 157 N HA 0.649 5.388 4.740 -0.001 0.000 0.295 157 N C -1.119 174.511 175.510 0.199 0.000 1.048 157 N CA -0.174 53.012 53.050 0.226 0.000 0.886 157 N CB 2.473 41.198 38.487 0.397 0.000 1.185 157 N HN 0.662 nan 8.380 nan 0.000 0.487 158 I N 2.037 122.658 120.570 0.086 0.000 2.406 158 I HA 0.295 4.464 4.170 -0.001 0.000 0.290 158 I C -0.886 175.300 176.117 0.115 0.000 0.999 158 I CA -0.758 60.611 61.300 0.115 0.000 1.124 158 I CB 0.913 38.862 38.000 -0.084 0.000 1.289 158 I HN 0.331 nan 8.210 nan 0.000 0.441 159 Y N 5.419 125.849 120.300 0.216 0.000 2.464 159 Y HA 0.476 5.026 4.550 -0.001 0.000 0.326 159 Y C -0.218 175.810 175.900 0.213 0.000 0.969 159 Y CA -0.949 57.291 58.100 0.232 0.000 1.270 159 Y CB 1.481 40.052 38.460 0.185 0.000 1.103 159 Y HN 0.198 nan 8.280 nan 0.000 0.491 160 V N 5.989 126.127 119.914 0.374 0.000 2.435 160 V HA 0.428 4.547 4.120 -0.001 0.000 0.290 160 V C -2.093 174.149 176.094 0.247 0.000 1.030 160 V CA -2.235 60.247 62.300 0.304 0.000 0.881 160 V CB 1.603 33.640 31.823 0.356 0.000 0.983 160 V HN 0.513 nan 8.190 nan 0.000 0.445 161 P HA 0.437 nan 4.420 nan 0.000 0.279 161 P C -0.573 176.800 177.300 0.121 0.000 1.252 161 P CA -0.054 63.129 63.100 0.138 0.000 0.811 161 P CB 1.586 33.349 31.700 0.105 0.000 1.035 187 R N 3.678 124.184 120.500 0.009 0.000 2.690 187 R HA 0.397 4.736 4.340 -0.001 0.000 0.419 187 R C 0.594 176.894 176.300 0.000 0.000 1.090 187 R CA 0.347 56.451 56.100 0.006 0.000 1.064 187 R CB 0.088 30.391 30.300 0.006 0.000 1.391 187 R HN 0.659 nan 8.270 nan 0.000 0.586 188 D N -1.947 118.451 120.400 -0.003 0.000 2.929 188 D HA 0.143 4.783 4.640 -0.001 0.000 0.291 188 D C 0.017 176.310 176.300 -0.012 0.000 1.086 188 D CA 0.079 54.072 54.000 -0.011 0.000 0.971 188 D CB 0.293 41.081 40.800 -0.021 0.000 1.275 188 D HN -0.126 nan 8.370 nan 0.000 0.469 189 S N -0.446 115.249 115.700 -0.009 0.000 2.532 189 S HA 0.666 5.135 4.470 -0.001 0.000 0.299 189 S C -0.210 174.390 174.600 -0.000 0.000 1.105 189 S CA -0.602 57.593 58.200 -0.008 0.000 1.018 189 S CB 2.141 65.332 63.200 -0.015 0.000 1.021 189 S HN 0.443 nan 8.310 nan 0.000 0.483 190 G N 0.730 109.530 108.800 -0.000 0.000 2.415 190 G HA2 0.764 4.723 3.960 -0.001 0.000 0.327 190 G HA3 0.764 4.723 3.960 -0.001 0.000 0.327 190 G C 0.014 174.915 174.900 0.003 0.000 1.182 190 G CA -0.265 44.837 45.100 0.004 0.000 0.924 190 G HN 1.145 nan 8.290 nan 0.000 0.470 191 G N 1.600 110.404 108.800 0.007 0.000 2.381 191 G HA2 0.199 4.159 3.960 -0.001 0.000 0.672 191 G HA3 0.199 4.159 3.960 -0.001 0.000 0.672 191 G C -3.073 171.832 174.900 0.009 0.000 1.324 191 G CA -0.963 44.139 45.100 0.005 0.000 0.975 191 G HN 0.747 nan 8.290 nan 0.000 0.593 192 P HA 0.318 nan 4.420 nan 0.000 0.268 192 P C -0.131 177.174 177.300 0.008 0.000 1.204 192 P CA 0.161 63.267 63.100 0.010 0.000 0.768 192 P CB 0.451 32.149 31.700 -0.002 0.000 0.842 193 K N 4.509 124.922 120.400 0.021 0.000 2.144 193 K HA 0.362 4.681 4.320 -0.001 0.000 0.270 193 K C -2.300 174.307 176.600 0.012 0.000 1.005 193 K CA -1.832 54.466 56.287 0.018 0.000 0.932 193 K CB 0.129 32.652 32.500 0.039 0.000 1.021 193 K HN 0.301 nan 8.250 nan 0.000 0.462 194 P HA 0.007 nan 4.420 nan 0.000 0.270 194 P C -0.930 176.376 177.300 0.010 0.000 1.223 194 P CA -0.285 62.809 63.100 -0.011 0.000 0.785 194 P CB 0.553 32.234 31.700 -0.033 0.000 0.923 195 V N 2.982 122.905 119.914 0.015 0.000 2.483 195 V HA 0.373 4.493 4.120 -0.001 0.000 0.297 195 V C -0.053 176.071 176.094 0.051 0.000 1.027 195 V CA -0.273 62.052 62.300 0.043 0.000 0.855 195 V CB 1.393 33.243 31.823 0.047 0.000 0.995 195 V HN 0.457 nan 8.190 nan 0.000 0.424 196 M N 5.048 124.691 119.600 0.072 0.000 2.044 196 M HA 0.455 4.934 4.480 -0.001 0.000 0.333 196 M C -0.907 175.587 176.300 0.324 0.000 1.004 196 M CA -0.584 54.766 55.300 0.083 0.000 0.954 196 M CB 1.693 34.209 32.600 -0.140 0.000 1.468 196 M HN 0.363 nan 8.290 nan 0.000 0.414 197 V N 4.015 124.132 119.914 0.339 0.000 2.368 197 V HA 0.137 4.256 4.120 -0.001 0.000 0.266 197 V C -0.749 175.558 176.094 0.355 0.000 1.045 197 V CA -0.544 61.931 62.300 0.292 0.000 0.899 197 V CB 0.233 32.111 31.823 0.092 0.000 1.006 197 V HN 0.579 nan 8.190 nan 0.000 0.470 198 Y N 6.203 126.548 120.300 0.075 0.000 2.425 198 Y HA 0.503 5.053 4.550 -0.001 0.000 0.347 198 Y C 0.262 175.976 175.900 -0.311 0.000 0.976 198 Y CA -0.901 56.901 58.100 -0.497 0.000 1.190 198 Y CB 0.759 38.773 38.460 -0.744 0.000 1.136 198 Y HN 0.568 nan 8.280 nan 0.000 0.517 199 I N 8.295 128.330 120.570 -0.891 0.000 2.294 199 I HA 0.065 4.234 4.170 -0.001 0.000 0.295 199 I C 0.541 176.105 176.117 -0.920 0.000 1.098 199 I CA -0.435 60.485 61.300 -0.634 0.000 1.277 199 I CB -0.201 37.506 38.000 -0.488 0.000 1.434 199 I HN 0.649 nan 8.210 nan 0.000 0.498 200 H N 5.871 124.557 119.070 -0.639 0.000 2.660 200 H HA 0.644 5.199 4.556 -0.001 0.000 0.374 200 H C -0.213 175.052 175.328 -0.105 0.000 1.291 200 H CA -0.488 55.280 56.048 -0.466 0.000 1.437 200 H CB 1.413 31.159 29.762 -0.027 0.000 1.509 200 H HN 0.640 nan 8.280 nan 0.000 0.614 201 G N -1.113 107.480 108.800 -0.345 0.000 2.503 201 G HA2 0.420 4.380 3.960 -0.001 0.000 0.305 201 G HA3 0.420 4.380 3.960 -0.001 0.000 0.305 201 G C -0.169 174.577 174.900 -0.256 0.000 1.575 201 G CA -0.151 44.714 45.100 -0.392 0.000 0.890 201 G HN 0.879 nan 8.290 nan 0.000 0.612 202 G N -0.192 108.404 108.800 -0.341 0.000 2.639 202 G HA2 0.456 4.415 3.960 -0.001 0.000 0.201 202 G HA3 0.456 4.415 3.960 -0.001 0.000 0.201 202 G C 1.070 175.686 174.900 -0.473 0.000 1.260 202 G CA 1.394 46.240 45.100 -0.424 0.000 0.749 202 G HN 1.834 nan 8.290 nan 0.000 0.611 203 S N -2.246 113.188 115.700 -0.444 0.000 2.998 203 S HA 0.276 4.745 4.470 -0.001 0.000 0.256 203 S C 0.490 174.910 174.600 -0.300 0.000 0.970 203 S CA 0.329 58.247 58.200 -0.470 0.000 1.238 203 S CB 0.347 63.360 63.200 -0.311 0.000 1.170 203 S HN 0.669 nan 8.310 nan 0.000 0.663 204 Y N -0.076 120.149 120.300 -0.126 0.000 4.866 204 Y HA -0.213 4.337 4.550 -0.001 0.000 0.282 204 Y C 1.378 177.326 175.900 0.080 0.000 0.899 204 Y CA 0.803 58.884 58.100 -0.031 0.000 1.720 204 Y CB -2.034 36.291 38.460 -0.226 0.000 1.107 204 Y HN 0.364 nan 8.280 nan 0.000 0.460 205 M N 0.321 120.005 119.600 0.140 0.000 2.492 205 M HA 0.184 4.663 4.480 -0.001 0.000 0.255 205 M C 0.781 177.132 176.300 0.086 0.000 1.139 205 M CA 1.186 56.564 55.300 0.130 0.000 1.096 205 M CB -0.061 32.599 32.600 0.099 0.000 1.360 205 M HN 0.415 nan 8.290 nan 0.000 0.480 206 E N -0.312 119.919 120.200 0.051 0.000 2.447 206 E HA 0.655 5.004 4.350 -0.001 0.000 0.279 206 E C -0.222 176.478 176.600 0.166 0.000 1.053 206 E CA -0.398 56.062 56.400 0.099 0.000 0.840 206 E CB 1.340 31.119 29.700 0.132 0.000 1.409 206 E HN 0.109 nan 8.360 nan 0.000 0.461 207 G N -0.684 108.275 108.800 0.265 0.000 2.384 207 G HA2 0.359 4.318 3.960 -0.001 0.000 0.668 207 G HA3 0.359 4.318 3.960 -0.001 0.000 0.668 207 G C -1.044 173.888 174.900 0.052 0.000 1.280 207 G CA -0.047 45.278 45.100 0.376 0.000 0.992 207 G HN 1.145 nan 8.290 nan 0.000 0.512 208 T N -1.535 112.798 114.554 -0.368 0.000 3.841 208 T HA 0.567 4.916 4.350 -0.001 0.000 0.428 208 T C 1.148 175.619 174.700 -0.382 0.000 1.447 208 T CA 0.829 62.574 62.100 -0.592 0.000 1.135 208 T CB 0.450 69.171 68.868 -0.246 0.000 1.389 208 T HN 2.215 nan 8.240 nan 0.000 0.461 209 G N 2.909 111.509 108.800 -0.334 0.000 2.653 209 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.212 209 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.212 209 G C 1.077 176.046 174.900 0.116 0.000 1.138 209 G CA 0.588 45.773 45.100 0.141 0.000 0.782 209 G HN 0.714 nan 8.290 nan 0.000 0.535 210 N N 0.110 118.688 118.700 -0.202 0.000 2.396 210 N HA 0.020 4.759 4.740 -0.001 0.000 0.180 210 N C 2.033 177.333 175.510 -0.349 0.000 1.028 210 N CA 0.323 53.000 53.050 -0.622 0.000 0.893 210 N CB -0.112 37.737 38.487 -1.063 0.000 0.967 210 N HN 0.324 nan 8.380 nan 0.000 0.440 211 L N -0.593 120.398 121.223 -0.386 0.000 2.027 211 L HA -0.073 4.267 4.340 -0.001 0.000 0.206 211 L C 0.018 176.617 176.870 -0.452 0.000 1.074 211 L CA 0.841 55.247 54.840 -0.723 0.000 0.745 211 L CB -0.386 41.179 42.059 -0.823 0.000 0.898 211 L HN 0.151 nan 8.230 nan 0.000 0.433 212 Y N 0.406 120.635 120.300 -0.119 0.000 2.584 212 Y HA 0.123 4.672 4.550 -0.001 0.000 0.351 212 Y C 0.059 175.897 175.900 -0.103 0.000 1.030 212 Y CA -0.835 57.178 58.100 -0.144 0.000 1.332 212 Y CB -0.136 38.194 38.460 -0.217 0.000 1.148 212 Y HN -0.046 nan 8.280 nan 0.000 0.528 213 D N 3.379 123.777 120.400 -0.004 0.000 2.428 213 D HA 0.194 4.833 4.640 -0.001 0.000 0.221 213 D C 0.386 176.512 176.300 -0.290 0.000 1.123 213 D CA -0.504 53.470 54.000 -0.043 0.000 0.869 213 D CB 0.885 41.757 40.800 0.121 0.000 1.032 213 D HN 0.753 nan 8.370 nan 0.000 0.506 214 G N 2.640 111.026 108.800 -0.691 0.000 3.636 214 G HA2 0.208 4.168 3.960 -0.001 0.000 0.260 214 G HA3 0.208 4.168 3.960 -0.001 0.000 0.260 214 G C 0.721 175.360 174.900 -0.435 0.000 1.014 214 G CA -0.406 44.391 45.100 -0.505 0.000 1.797 214 G HN 0.412 nan 8.290 nan 0.000 0.637 215 S N -0.079 115.504 115.700 -0.195 0.000 2.510 215 S HA -0.038 4.431 4.470 -0.001 0.000 0.230 215 S C 2.525 177.143 174.600 0.030 0.000 1.066 215 S CA 0.304 58.528 58.200 0.040 0.000 0.941 215 S CB 0.161 63.447 63.200 0.144 0.000 0.829 215 S HN 0.264 nan 8.310 nan 0.000 0.530 216 V N 2.623 122.523 119.914 -0.024 0.000 2.407 216 V HA -0.120 3.999 4.120 -0.001 0.000 0.248 216 V C 2.275 178.386 176.094 0.027 0.000 1.055 216 V CA 1.377 63.666 62.300 -0.019 0.000 1.049 216 V CB -0.719 31.040 31.823 -0.106 0.000 0.662 216 V HN 0.323 nan 8.190 nan 0.000 0.455 217 L N 1.214 122.428 121.223 -0.015 0.000 1.976 217 L HA -0.059 4.280 4.340 -0.001 0.000 0.209 217 L C 2.548 179.457 176.870 0.065 0.000 1.071 217 L CA 2.422 57.279 54.840 0.030 0.000 0.746 217 L CB -1.273 40.780 42.059 -0.010 0.000 0.890 217 L HN 0.207 nan 8.230 nan 0.000 0.432 218 A N -1.307 121.546 122.820 0.055 0.000 1.903 218 A HA -0.310 4.009 4.320 -0.001 0.000 0.219 218 A C 2.509 180.147 177.584 0.091 0.000 1.191 218 A CA 2.583 54.676 52.037 0.093 0.000 0.638 218 A CB -1.386 17.708 19.000 0.157 0.000 0.823 218 A HN 0.612 nan 8.150 nan 0.000 0.451 219 S N -2.128 113.632 115.700 0.099 0.000 2.343 219 S HA -0.194 4.276 4.470 -0.001 0.000 0.212 219 S C 1.887 176.538 174.600 0.085 0.000 1.033 219 S CA 1.477 59.733 58.200 0.094 0.000 1.004 219 S CB -0.721 62.538 63.200 0.098 0.000 0.977 219 S HN 0.668 nan 8.310 nan 0.000 0.427 220 Y N 1.796 122.091 120.300 -0.008 0.000 2.271 220 Y HA -0.118 4.431 4.550 -0.001 0.000 0.284 220 Y C 2.018 177.911 175.900 -0.011 0.000 1.189 220 Y CA 1.620 59.709 58.100 -0.019 0.000 1.229 220 Y CB -0.761 37.673 38.460 -0.044 0.000 0.973 220 Y HN 0.352 nan 8.280 nan 0.000 0.537 221 G N -1.288 107.449 108.800 -0.104 0.000 2.762 221 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.209 221 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.209 221 G C 0.237 175.071 174.900 -0.110 0.000 1.134 221 G CA 0.397 45.400 45.100 -0.162 0.000 0.781 221 G HN 0.430 nan 8.290 nan 0.000 0.528 222 N N -1.234 117.438 118.700 -0.048 0.000 2.862 222 N HA -0.171 4.568 4.740 -0.001 0.000 0.246 222 N C -0.421 175.091 175.510 0.003 0.000 1.101 222 N CA 0.778 53.817 53.050 -0.018 0.000 0.679 222 N CB -1.573 36.887 38.487 -0.045 0.000 0.986 222 N HN 0.872 nan 8.380 nan 0.000 0.557 223 V N -1.979 117.951 119.914 0.026 0.000 3.078 223 V HA 0.733 4.852 4.120 -0.001 0.000 0.311 223 V C 0.537 176.678 176.094 0.078 0.000 1.138 223 V CA -1.169 61.153 62.300 0.037 0.000 1.007 223 V CB 1.943 33.775 31.823 0.015 0.000 1.045 223 V HN 0.135 nan 8.190 nan 0.000 0.432 224 I N 2.202 122.825 120.570 0.089 0.000 2.396 224 I HA 0.547 4.716 4.170 -0.001 0.000 0.292 224 I C -0.472 175.733 176.117 0.147 0.000 0.999 224 I CA -0.695 60.684 61.300 0.133 0.000 1.310 224 I CB 1.720 39.787 38.000 0.112 0.000 1.404 224 I HN 0.443 nan 8.210 nan 0.000 0.496 225 V N 7.502 127.546 119.914 0.216 0.000 2.555 225 V HA 0.479 4.599 4.120 -0.001 0.000 0.302 225 V C -0.127 176.172 176.094 0.342 0.000 1.038 225 V CA -0.508 61.936 62.300 0.241 0.000 0.887 225 V CB 2.081 34.000 31.823 0.161 0.000 0.991 225 V HN 0.460 nan 8.190 nan 0.000 0.434 226 I N 4.026 124.781 120.570 0.308 0.000 2.439 226 I HA 0.356 4.526 4.170 -0.001 0.000 0.283 226 I C 0.209 176.499 176.117 0.289 0.000 1.023 226 I CA -0.371 61.107 61.300 0.296 0.000 1.100 226 I CB 2.174 40.277 38.000 0.171 0.000 1.238 226 I HN 0.697 nan 8.210 nan 0.000 0.445 227 T N 3.581 118.345 114.554 0.351 0.000 2.806 227 T HA 0.680 5.029 4.350 -0.001 0.000 0.290 227 T C -0.249 174.584 174.700 0.222 0.000 0.966 227 T CA -0.569 61.709 62.100 0.297 0.000 1.060 227 T CB 1.718 70.796 68.868 0.349 0.000 0.927 227 T HN 0.194 nan 8.240 nan 0.000 0.485 228 V N 3.077 123.089 119.914 0.163 0.000 2.881 228 V HA 0.565 4.684 4.120 -0.001 0.000 0.316 228 V C -0.266 175.974 176.094 0.244 0.000 1.070 228 V CA -1.127 61.259 62.300 0.142 0.000 0.976 228 V CB 2.057 33.891 31.823 0.018 0.000 1.038 228 V HN 0.900 nan 8.190 nan 0.000 0.446 229 N N 1.649 120.523 118.700 0.289 0.000 2.321 229 N HA 0.665 5.405 4.740 -0.001 0.000 0.299 229 N C -1.395 174.359 175.510 0.408 0.000 1.048 229 N CA -0.320 52.886 53.050 0.261 0.000 0.836 229 N CB 1.962 40.562 38.487 0.188 0.000 1.269 229 N HN 0.715 nan 8.380 nan 0.000 0.486 230 Y N -1.486 118.951 120.300 0.228 0.000 2.597 230 Y HA 0.528 5.077 4.550 -0.001 0.000 0.340 230 Y C -0.114 175.847 175.900 0.102 0.000 1.097 230 Y CA -1.312 56.894 58.100 0.176 0.000 1.037 230 Y CB 0.795 39.349 38.460 0.157 0.000 1.305 230 Y HN 0.176 nan 8.280 nan 0.000 0.463 231 R N 2.475 123.004 120.500 0.049 0.000 2.504 231 R HA 0.244 4.584 4.340 -0.001 0.000 0.291 231 R C -0.550 175.666 176.300 -0.140 0.000 0.974 231 R CA 0.385 56.424 56.100 -0.102 0.000 1.077 231 R CB 0.021 30.237 30.300 -0.140 0.000 0.926 231 R HN 0.688 nan 8.270 nan 0.000 0.407 232 L N 1.568 122.726 121.223 -0.108 0.000 2.464 232 L HA 0.531 4.871 4.340 -0.001 0.000 0.264 232 L C 1.524 178.458 176.870 0.107 0.000 1.062 232 L CA -0.766 54.115 54.840 0.067 0.000 0.935 232 L CB 0.108 42.185 42.059 0.031 0.000 1.603 232 L HN 0.828 nan 8.230 nan 0.000 0.528 233 G N 0.027 108.966 108.800 0.230 0.000 2.596 233 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.334 233 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.334 233 G C 0.906 175.840 174.900 0.057 0.000 1.351 233 G CA 0.719 45.919 45.100 0.167 0.000 0.965 233 G HN 0.486 nan 8.290 nan 0.000 0.533 234 V N 0.727 120.507 119.914 -0.224 0.000 2.255 234 V HA -0.196 3.923 4.120 -0.001 0.000 0.247 234 V C 3.022 179.071 176.094 -0.076 0.000 1.051 234 V CA 2.590 64.627 62.300 -0.439 0.000 1.018 234 V CB -1.017 30.550 31.823 -0.427 0.000 0.641 234 V HN 0.550 nan 8.190 nan 0.000 0.445 235 L N 0.774 121.913 121.223 -0.141 0.000 2.089 235 L HA -0.183 4.157 4.340 -0.001 0.000 0.213 235 L C 2.495 179.240 176.870 -0.209 0.000 1.079 235 L CA 1.964 56.630 54.840 -0.290 0.000 0.758 235 L CB -1.052 40.835 42.059 -0.285 0.000 0.891 235 L HN 0.542 nan 8.230 nan 0.000 0.433 236 G N -1.701 106.995 108.800 -0.173 0.000 2.595 236 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.213 236 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.213 236 G C 0.912 175.436 174.900 -0.626 0.000 1.141 236 G CA 0.021 44.867 45.100 -0.423 0.000 0.806 236 G HN 0.323 nan 8.290 nan 0.000 0.530 237 F N -0.235 119.833 119.950 0.197 0.000 2.781 237 F HA 0.443 4.969 4.527 -0.001 0.000 0.322 237 F C 0.522 176.439 175.800 0.194 0.000 1.108 237 F CA -0.953 57.110 58.000 0.106 0.000 1.179 237 F CB 0.382 39.383 39.000 0.002 0.000 1.072 237 F HN -0.103 nan 8.300 nan 0.000 0.545 238 L N 1.664 123.147 121.223 0.433 0.000 2.534 238 L HA 0.257 4.596 4.340 -0.001 0.000 0.271 238 L C 0.320 177.370 176.870 0.299 0.000 1.178 238 L CA 0.406 55.489 54.840 0.405 0.000 0.907 238 L CB 0.507 42.746 42.059 0.300 0.000 1.164 238 L HN 0.184 nan 8.230 nan 0.000 0.482 239 S N 1.823 117.653 115.700 0.217 0.000 2.599 239 S HA 0.514 4.983 4.470 -0.001 0.000 0.294 239 S C 0.594 175.239 174.600 0.077 0.000 1.094 239 S CA -0.064 58.197 58.200 0.100 0.000 0.931 239 S CB 1.895 65.118 63.200 0.039 0.000 1.093 239 S HN 0.749 nan 8.310 nan 0.000 0.488 240 T N -0.170 114.403 114.554 0.032 0.000 3.069 240 T HA 0.437 4.786 4.350 -0.001 0.000 0.252 240 T C 1.446 176.155 174.700 0.014 0.000 1.053 240 T CA 0.669 62.778 62.100 0.016 0.000 0.964 240 T CB 0.054 68.916 68.868 -0.010 0.000 1.005 240 T HN 1.658 nan 8.240 nan 0.000 0.532 241 G N 2.265 111.073 108.800 0.014 0.000 2.320 241 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.242 241 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.242 241 G C 0.016 174.919 174.900 0.005 0.000 1.033 241 G CA 0.455 45.559 45.100 0.007 0.000 0.620 241 G HN 0.848 nan 8.290 nan 0.000 0.517 242 D N -1.067 119.337 120.400 0.007 0.000 2.636 242 D HA 0.560 5.199 4.640 -0.001 0.000 0.236 242 D C 1.319 177.628 176.300 0.014 0.000 1.176 242 D CA 0.041 54.046 54.000 0.009 0.000 1.081 242 D CB -0.333 40.471 40.800 0.007 0.000 1.213 242 D HN -0.011 nan 8.370 nan 0.000 0.633 243 Q N -0.498 119.313 119.800 0.018 0.000 2.230 243 Q HA 0.148 4.487 4.340 -0.001 0.000 0.202 243 Q C 1.908 177.927 176.000 0.033 0.000 0.963 243 Q CA 1.925 57.745 55.803 0.028 0.000 0.866 243 Q CB -0.824 27.931 28.738 0.028 0.000 0.931 243 Q HN 0.537 nan 8.270 nan 0.000 0.452 244 A N 0.013 122.843 122.820 0.018 0.000 1.915 244 A HA 0.026 4.345 4.320 -0.001 0.000 0.220 244 A C 0.955 178.549 177.584 0.017 0.000 1.198 244 A CA 1.700 53.740 52.037 0.005 0.000 0.647 244 A CB -0.605 18.383 19.000 -0.020 0.000 0.825 244 A HN 0.449 nan 8.150 nan 0.000 0.456 245 A N -1.687 121.154 122.820 0.036 0.000 2.442 245 A HA 0.604 4.924 4.320 -0.001 0.000 0.284 245 A C -0.018 177.629 177.584 0.106 0.000 1.058 245 A CA -0.522 51.589 52.037 0.123 0.000 0.738 245 A CB 0.893 19.909 19.000 0.027 0.000 1.242 245 A HN 0.219 nan 8.150 nan 0.000 0.421 246 K N 2.056 122.518 120.400 0.103 0.000 2.500 246 K HA 0.326 4.645 4.320 -0.001 0.000 0.206 246 K C 1.267 177.697 176.600 -0.283 0.000 1.034 246 K CA 0.426 56.680 56.287 -0.054 0.000 1.179 246 K CB 0.264 32.744 32.500 -0.033 0.000 0.884 246 K HN 1.318 nan 8.250 nan 0.000 0.493 247 G N 2.629 111.152 108.800 -0.462 0.000 2.564 247 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.309 247 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.309 247 G C 0.134 174.424 174.900 -1.018 0.000 1.320 247 G CA 0.230 44.859 45.100 -0.784 0.000 0.941 247 G HN 0.556 nan 8.290 nan 0.000 0.543 248 N N -1.994 116.442 118.700 -0.440 0.000 2.681 248 N HA -0.230 4.510 4.740 -0.001 0.000 0.250 248 N C 0.921 176.223 175.510 -0.348 0.000 1.133 248 N CA 1.868 54.771 53.050 -0.246 0.000 0.732 248 N CB -1.200 37.141 38.487 -0.243 0.000 1.107 248 N HN 0.617 nan 8.380 nan 0.000 0.559 249 Y N -0.067 120.125 120.300 -0.180 0.000 2.181 249 Y HA -0.030 4.520 4.550 -0.001 0.000 0.288 249 Y C 2.621 178.377 175.900 -0.240 0.000 1.146 249 Y CA 1.496 59.478 58.100 -0.197 0.000 1.164 249 Y CB -0.752 37.595 38.460 -0.189 0.000 0.982 249 Y HN 0.231 nan 8.280 nan 0.000 0.515 250 G N -0.254 108.315 108.800 -0.386 0.000 2.448 250 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.219 250 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.219 250 G C 1.707 176.616 174.900 0.014 0.000 1.127 250 G CA 0.709 45.719 45.100 -0.149 0.000 0.766 250 G HN 0.351 nan 8.290 nan 0.000 0.552 251 L N -0.352 120.878 121.223 0.012 0.000 2.056 251 L HA 0.057 4.397 4.340 -0.001 0.000 0.207 251 L C 2.848 179.690 176.870 -0.048 0.000 1.078 251 L CA 0.553 55.377 54.840 -0.025 0.000 0.749 251 L CB -0.288 41.756 42.059 -0.024 0.000 0.901 251 L HN 0.196 nan 8.230 nan 0.000 0.433 252 L N -0.619 120.581 121.223 -0.039 0.000 2.141 252 L HA -0.220 4.120 4.340 -0.001 0.000 0.209 252 L C 2.191 179.103 176.870 0.071 0.000 1.094 252 L CA 0.891 55.733 54.840 0.002 0.000 0.763 252 L CB -0.555 41.506 42.059 0.004 0.000 0.908 252 L HN 0.273 nan 8.230 nan 0.000 0.437 253 D N 0.193 120.646 120.400 0.089 0.000 2.097 253 D HA -0.166 4.474 4.640 -0.001 0.000 0.195 253 D C 2.386 178.789 176.300 0.173 0.000 0.989 253 D CA 1.224 55.343 54.000 0.197 0.000 0.827 253 D CB -0.161 40.783 40.800 0.239 0.000 0.966 253 D HN 0.272 nan 8.370 nan 0.000 0.456 254 L N 0.615 121.844 121.223 0.010 0.000 2.083 254 L HA -0.136 4.203 4.340 -0.001 0.000 0.209 254 L C 2.520 179.342 176.870 -0.081 0.000 1.083 254 L CA 0.704 55.468 54.840 -0.126 0.000 0.752 254 L CB -0.281 41.613 42.059 -0.276 0.000 0.899 254 L HN 0.051 nan 8.230 nan 0.000 0.433 255 I N -0.723 119.848 120.570 0.001 0.000 2.286 255 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 255 I C 2.620 178.800 176.117 0.105 0.000 1.104 255 I CA 0.780 62.118 61.300 0.064 0.000 1.397 255 I CB -0.244 37.828 38.000 0.120 0.000 1.072 255 I HN 0.288 nan 8.210 nan 0.000 0.417 256 Q N 1.711 121.600 119.800 0.147 0.000 2.135 256 Q HA -0.171 4.169 4.340 -0.001 0.000 0.204 256 Q C 2.122 178.257 176.000 0.225 0.000 0.981 256 Q CA 2.264 58.207 55.803 0.233 0.000 0.856 256 Q CB -0.339 28.579 28.738 0.300 0.000 0.902 256 Q HN 0.487 nan 8.270 nan 0.000 0.425 257 A N -0.015 122.770 122.820 -0.059 0.000 1.902 257 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 257 A C 2.124 179.693 177.584 -0.025 0.000 1.181 257 A CA 1.371 53.153 52.037 -0.424 0.000 0.623 257 A CB -0.690 17.794 19.000 -0.860 0.000 0.818 257 A HN 0.446 nan 8.150 nan 0.000 0.443 258 L N -1.069 120.158 121.223 0.007 0.000 2.093 258 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 258 L C 2.888 179.845 176.870 0.144 0.000 1.085 258 L CA 0.959 55.845 54.840 0.077 0.000 0.755 258 L CB -0.522 41.581 42.059 0.073 0.000 0.904 258 L HN 0.325 nan 8.230 nan 0.000 0.435 259 R N -0.594 120.007 120.500 0.169 0.000 2.070 259 R HA -0.222 4.118 4.340 -0.001 0.000 0.233 259 R C 2.002 178.413 176.300 0.185 0.000 1.137 259 R CA 1.871 58.069 56.100 0.163 0.000 0.945 259 R CB -1.001 29.407 30.300 0.180 0.000 0.845 259 R HN 0.428 nan 8.270 nan 0.000 0.430 260 W N 2.104 123.473 121.300 0.115 0.000 2.321 260 W HA -0.247 4.412 4.660 -0.001 0.000 0.306 260 W C 2.063 178.628 176.519 0.076 0.000 1.217 260 W CA 2.393 59.836 57.345 0.163 0.000 1.257 260 W CB -0.366 29.234 29.460 0.233 0.000 1.145 260 W HN 0.036 nan 8.180 nan 0.000 0.509 261 T N -0.787 113.994 114.554 0.379 0.000 2.674 261 T HA -0.268 4.082 4.350 -0.001 0.000 0.265 261 T C 1.901 176.568 174.700 -0.055 0.000 1.039 261 T CA 1.891 64.105 62.100 0.189 0.000 1.150 261 T CB -1.066 67.913 68.868 0.185 0.000 0.864 261 T HN 0.159 nan 8.240 nan 0.000 0.427 262 S N 0.556 116.250 115.700 -0.010 0.000 2.440 262 S HA -0.152 4.317 4.470 -0.001 0.000 0.240 262 S C 1.917 176.420 174.600 -0.162 0.000 1.014 262 S CA 1.316 59.483 58.200 -0.055 0.000 0.980 262 S CB -0.295 62.907 63.200 0.004 0.000 0.775 262 S HN 0.585 nan 8.310 nan 0.000 0.499 263 E N -0.275 119.779 120.200 -0.244 0.000 2.201 263 E HA 0.100 4.449 4.350 -0.001 0.000 0.193 263 E C 1.315 177.553 176.600 -0.604 0.000 0.957 263 E CA 0.625 56.814 56.400 -0.352 0.000 0.858 263 E CB 0.011 29.539 29.700 -0.287 0.000 0.816 263 E HN 0.455 nan 8.360 nan 0.000 0.475 264 N N 0.327 118.586 118.700 -0.734 0.000 2.294 264 N HA 0.037 4.777 4.740 -0.001 0.000 0.186 264 N C 1.306 176.518 175.510 -0.498 0.000 1.107 264 N CA 0.036 52.596 53.050 -0.817 0.000 0.884 264 N CB 0.295 38.174 38.487 -1.014 0.000 1.030 264 N HN -0.023 nan 8.380 nan 0.000 0.482 265 I N 1.194 121.523 120.570 -0.401 0.000 2.657 265 I HA -0.049 4.120 4.170 -0.001 0.000 0.261 265 I C 1.856 177.935 176.117 -0.063 0.000 1.212 265 I CA 0.581 61.774 61.300 -0.178 0.000 1.453 265 I CB -0.667 37.263 38.000 -0.116 0.000 1.092 265 I HN 0.183 nan 8.210 nan 0.000 0.452 266 G N -0.073 108.562 108.800 -0.275 0.000 2.418 266 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.217 266 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.217 266 G C 1.341 176.210 174.900 -0.052 0.000 1.158 266 G CA 0.541 45.497 45.100 -0.240 0.000 0.771 266 G HN 0.380 nan 8.290 nan 0.000 0.545 267 F N 0.120 120.127 119.950 0.094 0.000 2.494 267 F HA 0.182 4.709 4.527 -0.001 0.000 0.298 267 F C 1.584 177.357 175.800 -0.044 0.000 1.106 267 F CA -0.126 57.880 58.000 0.009 0.000 1.452 267 F CB -0.649 38.310 39.000 -0.068 0.000 1.085 267 F HN 0.138 nan 8.300 nan 0.000 0.569 268 F N -1.011 118.982 119.950 0.072 0.000 2.653 268 F HA 0.422 4.948 4.527 -0.001 0.000 0.304 268 F C 1.781 177.600 175.800 0.032 0.000 1.092 268 F CA 0.323 58.334 58.000 0.018 0.000 1.279 268 F CB 0.304 39.260 39.000 -0.074 0.000 1.044 268 F HN 0.028 nan 8.300 nan 0.000 0.564 269 G N 0.500 109.413 108.800 0.188 0.000 2.176 269 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.232 269 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.232 269 G C 0.599 175.551 174.900 0.086 0.000 0.986 269 G CA -0.341 44.828 45.100 0.116 0.000 0.643 269 G HN 0.662 nan 8.290 nan 0.000 0.522 270 G N -0.381 108.473 108.800 0.089 0.000 2.539 270 G HA2 0.460 4.419 3.960 -0.001 0.000 0.258 270 G HA3 0.460 4.419 3.960 -0.001 0.000 0.258 270 G C -0.633 174.266 174.900 -0.002 0.000 1.202 270 G CA 0.446 45.569 45.100 0.039 0.000 0.851 270 G HN 0.283 nan 8.290 nan 0.000 0.556 271 D N 1.104 121.499 120.400 -0.008 0.000 2.473 271 D HA 0.279 4.919 4.640 -0.001 0.000 0.226 271 D C -1.195 175.087 176.300 -0.030 0.000 1.089 271 D CA -2.392 51.593 54.000 -0.024 0.000 0.883 271 D CB 1.688 42.476 40.800 -0.020 0.000 1.029 271 D HN 0.077 nan 8.370 nan 0.000 0.517 272 P HA -0.072 nan 4.420 nan 0.000 0.236 272 P C 0.935 178.219 177.300 -0.026 0.000 1.172 272 P CA 0.453 63.527 63.100 -0.044 0.000 0.759 272 P CB 0.331 31.980 31.700 -0.085 0.000 0.843 273 L N -1.175 120.030 121.223 -0.031 0.000 2.640 273 L HA 0.223 4.562 4.340 -0.001 0.000 0.230 273 L C 1.253 178.105 176.870 -0.030 0.000 1.123 273 L CA 0.149 54.970 54.840 -0.033 0.000 0.900 273 L CB 0.095 42.129 42.059 -0.041 0.000 1.146 273 L HN -0.162 nan 8.230 nan 0.000 0.484 274 R N 0.569 121.057 120.500 -0.019 0.000 2.647 274 R HA 0.380 4.719 4.340 -0.001 0.000 0.295 274 R C -0.741 175.559 176.300 0.000 0.000 1.267 274 R CA -0.159 55.925 56.100 -0.028 0.000 1.386 274 R CB 0.913 31.183 30.300 -0.050 0.000 1.309 274 R HN 0.104 nan 8.270 nan 0.000 0.692 275 I N 1.124 121.725 120.570 0.052 0.000 2.325 275 I HA 0.227 4.396 4.170 -0.001 0.000 0.291 275 I C 0.124 176.330 176.117 0.147 0.000 1.019 275 I CA -0.126 61.233 61.300 0.098 0.000 1.302 275 I CB 1.817 39.904 38.000 0.145 0.000 1.401 275 I HN -0.005 nan 8.210 nan 0.000 0.485 276 T N 6.140 120.755 114.554 0.101 0.000 2.791 276 T HA 0.371 4.721 4.350 -0.001 0.000 0.288 276 T C -0.133 174.653 174.700 0.144 0.000 0.999 276 T CA -0.579 61.594 62.100 0.122 0.000 0.952 276 T CB 1.243 70.126 68.868 0.026 0.000 0.938 276 T HN 0.389 nan 8.240 nan 0.000 0.444 277 V N 2.772 122.746 119.914 0.100 0.000 2.465 277 V HA 0.874 4.994 4.120 -0.001 0.000 0.279 277 V C -0.453 175.764 176.094 0.206 0.000 1.045 277 V CA -0.990 61.333 62.300 0.038 0.000 0.938 277 V CB -0.055 31.536 31.823 -0.386 0.000 0.986 277 V HN 0.811 nan 8.190 nan 0.000 0.467 278 F N 1.885 121.819 119.950 -0.027 0.000 2.613 278 F HA 1.070 5.596 4.527 -0.001 0.000 0.314 278 F C 0.060 175.821 175.800 -0.065 0.000 1.075 278 F CA -0.457 57.564 58.000 0.036 0.000 0.945 278 F CB 2.151 41.270 39.000 0.198 0.000 1.310 278 F HN 0.950 nan 8.300 nan 0.000 0.467 279 G N 0.283 108.988 108.800 -0.158 0.000 2.576 279 G HA2 0.468 4.428 3.960 -0.001 0.000 0.290 279 G HA3 0.468 4.428 3.960 -0.001 0.000 0.290 279 G C -2.291 172.575 174.900 -0.057 0.000 1.442 279 G CA -0.857 43.944 45.100 -0.498 0.000 0.792 279 G HN 0.820 nan 8.290 nan 0.000 0.491 280 S N -0.853 114.833 115.700 -0.023 0.000 2.503 280 S HA 0.715 5.184 4.470 -0.001 0.000 0.301 280 S C 1.093 175.758 174.600 0.109 0.000 1.087 280 S CA 1.257 59.550 58.200 0.155 0.000 1.042 280 S CB 0.842 64.210 63.200 0.281 0.000 1.043 280 S HN 2.593 nan 8.310 nan 0.000 0.489 281 G N 3.636 112.582 108.800 0.243 0.000 2.651 281 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.315 281 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.315 281 G C 1.260 176.172 174.900 0.021 0.000 1.258 281 G CA 0.659 45.931 45.100 0.286 0.000 1.002 281 G HN 1.792 nan 8.290 nan 0.000 0.551 282 A N -0.356 122.378 122.820 -0.143 0.000 1.997 282 A HA 0.063 4.383 4.320 -0.001 0.000 0.221 282 A C 2.988 180.401 177.584 -0.286 0.000 1.172 282 A CA 3.161 54.959 52.037 -0.400 0.000 0.645 282 A CB -1.268 17.329 19.000 -0.673 0.000 0.813 282 A HN 2.208 nan 8.150 nan 0.000 0.454 283 G N -0.730 107.930 108.800 -0.234 0.000 2.453 283 G HA2 0.032 3.991 3.960 -0.001 0.000 0.215 283 G HA3 0.032 3.991 3.960 -0.001 0.000 0.215 283 G C 1.555 176.324 174.900 -0.219 0.000 1.201 283 G CA 1.124 46.054 45.100 -0.282 0.000 0.784 283 G HN 0.810 nan 8.290 nan 0.000 0.545 284 G N 0.257 108.977 108.800 -0.133 0.000 2.501 284 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.220 284 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.220 284 G C 2.005 176.865 174.900 -0.067 0.000 1.114 284 G CA 1.374 46.429 45.100 -0.076 0.000 0.757 284 G HN 0.429 nan 8.290 nan 0.000 0.559 285 S N -0.480 115.182 115.700 -0.063 0.000 2.371 285 S HA -0.116 4.354 4.470 -0.001 0.000 0.224 285 S C 2.487 177.066 174.600 -0.035 0.000 1.029 285 S CA 0.972 59.156 58.200 -0.028 0.000 0.978 285 S CB -0.328 62.876 63.200 0.007 0.000 0.833 285 S HN 0.559 nan 8.310 nan 0.000 0.466 286 C N 1.168 120.431 119.300 -0.062 0.000 2.432 286 C HA -0.018 4.442 4.460 -0.001 0.000 0.277 286 C C 2.618 177.526 174.990 -0.137 0.000 1.249 286 C CA 0.323 59.281 59.018 -0.101 0.000 1.725 286 C CB -1.384 26.241 27.740 -0.192 0.000 2.028 286 C HN 0.389 nan 8.230 nan 0.000 0.477 287 V N 1.531 121.345 119.914 -0.167 0.000 2.250 287 V HA -0.344 3.775 4.120 -0.001 0.000 0.250 287 V C 2.068 178.094 176.094 -0.115 0.000 1.060 287 V CA 2.663 64.859 62.300 -0.172 0.000 1.030 287 V CB -0.976 30.764 31.823 -0.138 0.000 0.643 287 V HN 0.594 nan 8.190 nan 0.000 0.445 288 N N -0.491 118.157 118.700 -0.086 0.000 2.084 288 N HA -0.116 4.623 4.740 -0.001 0.000 0.190 288 N C 1.769 177.250 175.510 -0.049 0.000 1.030 288 N CA 1.222 54.233 53.050 -0.065 0.000 0.849 288 N CB -0.211 38.242 38.487 -0.056 0.000 1.012 288 N HN 0.377 nan 8.380 nan 0.000 0.423 289 L N 0.628 121.822 121.223 -0.048 0.000 2.083 289 L HA -0.158 4.182 4.340 -0.001 0.000 0.209 289 L C 2.037 178.901 176.870 -0.010 0.000 1.083 289 L CA 0.756 55.574 54.840 -0.037 0.000 0.752 289 L CB -0.397 41.629 42.059 -0.055 0.000 0.899 289 L HN 0.269 nan 8.230 nan 0.000 0.433 290 L N -0.305 120.909 121.223 -0.017 0.000 2.079 290 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 290 L C 2.625 179.597 176.870 0.170 0.000 1.081 290 L CA 1.930 56.801 54.840 0.052 0.000 0.752 290 L CB -0.942 41.104 42.059 -0.023 0.000 0.896 290 L HN 0.488 nan 8.230 nan 0.000 0.433 291 T N -3.280 111.337 114.554 0.104 0.000 3.118 291 T HA 0.020 4.369 4.350 -0.001 0.000 0.260 291 T C 1.537 176.327 174.700 0.149 0.000 1.139 291 T CA 0.430 62.567 62.100 0.061 0.000 1.085 291 T CB -0.067 68.664 68.868 -0.229 0.000 0.934 291 T HN 0.260 nan 8.240 nan 0.000 0.518 292 L N 0.386 121.673 121.223 0.106 0.000 2.590 292 L HA 0.332 4.672 4.340 -0.001 0.000 0.227 292 L C 1.327 178.276 176.870 0.133 0.000 1.099 292 L CA -0.228 54.683 54.840 0.117 0.000 0.872 292 L CB 0.231 42.319 42.059 0.049 0.000 1.088 292 L HN 0.180 nan 8.230 nan 0.000 0.479 293 S N -0.637 115.140 115.700 0.128 0.000 2.537 293 S HA 0.076 4.546 4.470 -0.001 0.000 0.275 293 S C 1.106 175.824 174.600 0.197 0.000 1.272 293 S CA -0.491 57.785 58.200 0.125 0.000 1.050 293 S CB 0.712 63.944 63.200 0.053 0.000 0.961 293 S HN 0.508 nan 8.310 nan 0.000 0.496 294 H N 3.635 122.838 119.070 0.222 0.000 2.545 294 H HA 0.044 4.600 4.556 -0.001 0.000 0.282 294 H C 0.767 176.209 175.328 0.189 0.000 1.020 294 H CA 1.391 57.545 56.048 0.177 0.000 1.243 294 H CB -0.396 29.442 29.762 0.125 0.000 1.377 294 H HN 0.701 nan 8.280 nan 0.000 0.581 295 Y N 0.974 121.057 120.300 -0.361 0.000 2.574 295 Y HA 0.080 4.630 4.550 -0.001 0.000 0.294 295 Y C 0.758 176.657 175.900 -0.002 0.000 1.142 295 Y CA 0.568 58.529 58.100 -0.232 0.000 1.314 295 Y CB 0.173 38.496 38.460 -0.227 0.000 0.991 295 Y HN 0.163 nan 8.280 nan 0.000 0.555 296 S N 2.144 117.965 115.700 0.202 0.000 2.592 296 S HA 0.105 4.574 4.470 -0.001 0.000 0.305 296 S C 0.214 174.896 174.600 0.137 0.000 1.118 296 S CA -0.847 57.493 58.200 0.234 0.000 1.075 296 S CB -0.091 63.329 63.200 0.368 0.000 1.107 296 S HN 0.272 nan 8.310 nan 0.000 0.503 307 G N 2.367 111.068 108.800 -0.166 0.000 2.241 307 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.244 307 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.244 307 G C 0.631 175.498 174.900 -0.056 0.000 0.998 307 G CA 0.311 45.345 45.100 -0.109 0.000 0.621 307 G HN 0.579 nan 8.290 nan 0.000 0.519 308 L N 0.986 122.192 121.223 -0.028 0.000 1.944 308 L HA 0.323 4.662 4.340 -0.001 0.000 0.218 308 L C 1.272 178.259 176.870 0.194 0.000 1.075 308 L CA 2.759 57.661 54.840 0.102 0.000 0.767 308 L CB -0.770 41.411 42.059 0.204 0.000 0.890 308 L HN 0.780 nan 8.230 nan 0.000 0.434 309 F N -3.452 116.558 119.950 0.101 0.000 2.577 309 F HA 0.620 5.146 4.527 -0.001 0.000 0.318 309 F C 0.639 176.528 175.800 0.148 0.000 1.065 309 F CA -0.892 57.177 58.000 0.115 0.000 0.929 309 F CB 1.038 40.120 39.000 0.137 0.000 1.237 309 F HN -0.131 nan 8.300 nan 0.000 0.468 310 Q N 0.830 120.743 119.800 0.189 0.000 2.396 310 Q HA 0.360 4.699 4.340 -0.001 0.000 0.220 310 Q C -0.257 175.867 176.000 0.207 0.000 0.900 310 Q CA 0.705 56.548 55.803 0.067 0.000 0.925 310 Q CB 0.419 29.148 28.738 -0.015 0.000 1.065 310 Q HN 0.676 nan 8.270 nan 0.000 0.535 311 R N -0.700 119.982 120.500 0.304 0.000 2.888 311 R HA 0.883 5.222 4.340 -0.001 0.000 0.264 311 R C -1.305 175.227 176.300 0.386 0.000 1.045 311 R CA -0.899 55.361 56.100 0.267 0.000 0.962 311 R CB 1.855 32.114 30.300 -0.069 0.000 1.210 311 R HN -0.010 nan 8.270 nan 0.000 0.479 312 A N 1.415 124.438 122.820 0.337 0.000 2.488 312 A HA 0.654 4.974 4.320 -0.001 0.000 0.298 312 A C -1.143 176.510 177.584 0.116 0.000 1.044 312 A CA -0.674 51.482 52.037 0.199 0.000 0.693 312 A CB 1.252 20.295 19.000 0.072 0.000 1.272 312 A HN 0.616 nan 8.150 nan 0.000 0.402 313 I N 1.954 122.574 120.570 0.083 0.000 2.439 313 I HA 0.518 4.687 4.170 -0.001 0.000 0.283 313 I C 0.294 176.453 176.117 0.070 0.000 1.023 313 I CA -0.454 60.832 61.300 -0.024 0.000 1.100 313 I CB 1.960 39.937 38.000 -0.039 0.000 1.238 313 I HN 0.742 nan 8.210 nan 0.000 0.445 314 A N 6.603 129.425 122.820 0.003 0.000 2.394 314 A HA 0.522 4.841 4.320 -0.001 0.000 0.333 314 A C -0.327 177.304 177.584 0.078 0.000 1.397 314 A CA -0.495 51.555 52.037 0.021 0.000 0.884 314 A CB 0.212 19.185 19.000 -0.046 0.000 1.147 314 A HN 0.721 nan 8.150 nan 0.000 0.505 315 Q N 1.581 121.495 119.800 0.190 0.000 2.314 315 Q HA 0.424 4.763 4.340 -0.001 0.000 0.257 315 Q C 0.024 176.144 176.000 0.199 0.000 0.975 315 Q CA -0.316 55.651 55.803 0.274 0.000 0.933 315 Q CB 0.821 29.789 28.738 0.383 0.000 1.195 315 Q HN 0.777 nan 8.270 nan 0.000 0.426 316 S N 1.299 117.074 115.700 0.124 0.000 3.524 316 S HA -0.128 4.341 4.470 -0.001 0.000 0.377 316 S C -0.017 174.765 174.600 0.303 0.000 0.949 316 S CA 0.461 58.767 58.200 0.177 0.000 1.264 316 S CB -1.247 62.063 63.200 0.183 0.000 0.918 316 S HN 1.009 nan 8.310 nan 0.000 0.517 317 G N -0.049 108.865 108.800 0.190 0.000 2.503 317 G HA2 0.582 4.541 3.960 -0.001 0.000 0.305 317 G HA3 0.582 4.541 3.960 -0.001 0.000 0.305 317 G C -0.785 174.133 174.900 0.030 0.000 1.575 317 G CA 0.150 45.330 45.100 0.133 0.000 0.890 317 G HN 0.854 nan 8.290 nan 0.000 0.612 318 T N -1.486 113.064 114.554 -0.008 0.000 2.696 318 T HA 0.747 5.096 4.350 -0.001 0.000 0.291 318 T C 0.930 175.604 174.700 -0.044 0.000 1.095 318 T CA 0.197 62.272 62.100 -0.042 0.000 1.026 318 T CB 1.650 70.476 68.868 -0.070 0.000 1.390 318 T HN 1.646 nan 8.240 nan 0.000 0.513 319 A N -0.418 122.371 122.820 -0.051 0.000 2.308 319 A HA 0.474 4.793 4.320 -0.001 0.000 0.217 319 A C 1.668 179.219 177.584 -0.055 0.000 1.216 319 A CA -0.106 51.906 52.037 -0.042 0.000 0.864 319 A CB -0.708 18.265 19.000 -0.045 0.000 0.902 319 A HN 0.711 nan 8.150 nan 0.000 0.499 320 L N 0.472 121.640 121.223 -0.092 0.000 2.554 320 L HA 0.081 4.421 4.340 -0.001 0.000 0.225 320 L C 1.113 177.846 176.870 -0.228 0.000 1.104 320 L CA 0.195 54.960 54.840 -0.126 0.000 0.866 320 L CB -0.067 41.917 42.059 -0.124 0.000 1.047 320 L HN 0.425 nan 8.230 nan 0.000 0.468 321 S N -0.534 114.990 115.700 -0.294 0.000 2.584 321 S HA 0.005 4.474 4.470 -0.001 0.000 0.270 321 S C 1.463 175.740 174.600 -0.538 0.000 1.346 321 S CA -0.057 57.809 58.200 -0.557 0.000 1.018 321 S CB 1.251 64.022 63.200 -0.715 0.000 0.899 321 S HN 0.314 nan 8.310 nan 0.000 0.542 322 S N 0.246 115.460 115.700 -0.811 0.000 2.419 322 S HA -0.137 4.332 4.470 -0.001 0.000 0.235 322 S C 0.999 175.330 174.600 -0.448 0.000 1.019 322 S CA 0.947 58.733 58.200 -0.691 0.000 0.982 322 S CB -0.833 61.799 63.200 -0.947 0.000 0.789 322 S HN 1.023 nan 8.310 nan 0.000 0.490 323 W N 0.654 121.771 121.300 -0.305 0.000 3.223 323 W HA 0.850 5.510 4.660 -0.001 0.000 0.389 323 W C 1.332 177.811 176.519 -0.066 0.000 1.118 323 W CA -1.268 55.968 57.345 -0.180 0.000 1.902 323 W CB -0.762 28.572 29.460 -0.209 0.000 1.094 323 W HN 0.241 nan 8.180 nan 0.000 0.666 324 A N 0.178 123.122 122.820 0.207 0.000 2.030 324 A HA 0.406 4.726 4.320 -0.001 0.000 0.215 324 A C 0.487 178.132 177.584 0.101 0.000 1.164 324 A CA 0.882 53.042 52.037 0.205 0.000 0.697 324 A CB -0.014 19.028 19.000 0.071 0.000 0.827 324 A HN 0.050 nan 8.150 nan 0.000 0.457 325 V N -0.825 119.089 119.914 -0.000 0.000 2.962 325 V HA 0.519 4.638 4.120 -0.001 0.000 0.313 325 V C -0.368 175.539 176.094 -0.311 0.000 1.099 325 V CA -0.649 61.474 62.300 -0.294 0.000 0.971 325 V CB 1.942 33.417 31.823 -0.580 0.000 1.028 325 V HN 0.159 nan 8.190 nan 0.000 0.430 326 S N 1.452 116.912 115.700 -0.400 0.000 2.429 326 S HA 0.580 5.049 4.470 -0.001 0.000 0.302 326 S C -0.114 174.301 174.600 -0.308 0.000 1.115 326 S CA -0.387 57.705 58.200 -0.181 0.000 1.095 326 S CB 0.238 63.374 63.200 -0.107 0.000 0.987 326 S HN 0.474 nan 8.310 nan 0.000 0.474 327 F N 2.478 122.452 119.950 0.039 0.000 2.695 327 F HA 0.362 4.888 4.527 -0.001 0.000 0.303 327 F C 1.256 177.067 175.800 0.018 0.000 1.091 327 F CA -0.239 57.773 58.000 0.019 0.000 1.300 327 F CB 0.341 39.347 39.000 0.011 0.000 1.071 327 F HN 0.519 nan 8.300 nan 0.000 0.578 328 Q N 1.094 121.009 119.800 0.191 0.000 2.928 328 Q HA 0.168 4.507 4.340 -0.001 0.000 0.353 328 Q C -1.844 174.216 176.000 0.099 0.000 0.870 328 Q CA -1.418 54.439 55.803 0.090 0.000 0.963 328 Q CB 1.042 29.787 28.738 0.011 0.000 1.419 328 Q HN 0.016 nan 8.270 nan 0.000 0.396 329 P HA -0.185 nan 4.420 nan 0.000 0.218 329 P C 0.894 178.245 177.300 0.085 0.000 1.149 329 P CA 1.186 64.339 63.100 0.088 0.000 0.817 329 P CB 0.500 32.229 31.700 0.049 0.000 0.785 330 A N 1.191 124.029 122.820 0.029 0.000 1.840 330 A HA -0.155 4.164 4.320 -0.001 0.000 0.214 330 A C 2.468 180.034 177.584 -0.031 0.000 1.198 330 A CA 2.021 54.063 52.037 0.009 0.000 0.608 330 A CB -1.386 17.607 19.000 -0.011 0.000 0.839 330 A HN 0.128 nan 8.150 nan 0.000 0.443 331 K N -1.373 118.951 120.400 -0.128 0.000 2.052 331 K HA -0.265 4.054 4.320 -0.001 0.000 0.215 331 K C 1.694 178.124 176.600 -0.283 0.000 1.053 331 K CA 2.426 58.548 56.287 -0.275 0.000 0.934 331 K CB -0.486 31.715 32.500 -0.499 0.000 0.717 331 K HN 0.510 nan 8.250 nan 0.000 0.450 332 Y N -0.162 120.090 120.300 -0.081 0.000 2.561 332 Y HA 0.100 4.649 4.550 -0.001 0.000 0.291 332 Y C 2.145 178.062 175.900 0.028 0.000 1.141 332 Y CA 0.541 58.553 58.100 -0.146 0.000 1.303 332 Y CB -0.212 37.978 38.460 -0.450 0.000 1.015 332 Y HN 0.247 nan 8.280 nan 0.000 0.547 333 A N 0.345 123.298 122.820 0.221 0.000 1.874 333 A HA -0.094 4.225 4.320 -0.001 0.000 0.214 333 A C 2.269 179.961 177.584 0.181 0.000 1.189 333 A CA 0.984 53.198 52.037 0.294 0.000 0.615 333 A CB -0.338 18.774 19.000 0.187 0.000 0.830 333 A HN 0.313 nan 8.150 nan 0.000 0.443 334 R N -0.396 120.159 120.500 0.091 0.000 2.092 334 R HA 0.020 4.360 4.340 -0.001 0.000 0.231 334 R C 1.882 178.223 176.300 0.069 0.000 1.119 334 R CA 1.393 57.525 56.100 0.054 0.000 0.970 334 R CB -0.428 29.878 30.300 0.009 0.000 0.864 334 R HN 0.538 nan 8.270 nan 0.000 0.440 335 I N 0.985 121.604 120.570 0.083 0.000 2.394 335 I HA -0.240 3.929 4.170 -0.001 0.000 0.251 335 I C 2.337 178.544 176.117 0.149 0.000 1.136 335 I CA 0.767 62.126 61.300 0.098 0.000 1.425 335 I CB -0.195 37.869 38.000 0.107 0.000 1.079 335 I HN 0.243 nan 8.210 nan 0.000 0.425 336 L N 1.028 122.383 121.223 0.220 0.000 2.179 336 L HA -0.050 4.289 4.340 -0.001 0.000 0.208 336 L C 2.601 179.555 176.870 0.141 0.000 1.096 336 L CA 1.871 56.851 54.840 0.233 0.000 0.779 336 L CB -0.812 41.462 42.059 0.357 0.000 0.922 336 L HN 0.162 nan 8.230 nan 0.000 0.443 337 A N -0.251 122.638 122.820 0.115 0.000 1.858 337 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 337 A C 2.213 179.832 177.584 0.058 0.000 1.190 337 A CA 2.276 54.355 52.037 0.070 0.000 0.617 337 A CB -1.169 17.860 19.000 0.048 0.000 0.827 337 A HN 0.445 nan 8.150 nan 0.000 0.443 338 T N 0.138 114.725 114.554 0.056 0.000 2.665 338 T HA -0.173 4.176 4.350 -0.001 0.000 0.268 338 T C 1.838 176.567 174.700 0.048 0.000 1.035 338 T CA 1.869 63.995 62.100 0.044 0.000 1.151 338 T CB -0.284 68.607 68.868 0.038 0.000 0.862 338 T HN 0.511 nan 8.240 nan 0.000 0.438 339 K N 0.915 121.354 120.400 0.064 0.000 2.360 339 K HA -0.023 4.296 4.320 -0.001 0.000 0.201 339 K C 1.663 178.294 176.600 0.053 0.000 1.046 339 K CA 1.020 57.344 56.287 0.062 0.000 0.945 339 K CB -0.013 32.536 32.500 0.082 0.000 0.750 339 K HN 0.419 nan 8.250 nan 0.000 0.464 340 V N -3.239 116.706 119.914 0.052 0.000 3.085 340 V HA 0.395 4.515 4.120 -0.001 0.000 0.345 340 V C 0.275 176.389 176.094 0.033 0.000 1.397 340 V CA -0.211 62.115 62.300 0.042 0.000 1.165 340 V CB -0.041 31.811 31.823 0.048 0.000 1.153 340 V HN 0.230 nan 8.190 nan 0.000 0.495 341 G N -0.200 108.619 108.800 0.031 0.000 2.460 341 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.259 341 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.259 341 G C 0.076 174.990 174.900 0.023 0.000 0.959 341 G CA 0.240 45.355 45.100 0.024 0.000 1.330 341 G HN 0.944 nan 8.290 nan 0.000 0.451 342 c N 0.917 119.531 118.600 0.024 0.000 4.449 342 c HA 0.129 4.698 4.570 -0.001 0.000 0.358 342 c C 1.158 175.257 174.090 0.015 0.000 1.946 342 c CA -0.534 55.807 56.329 0.019 0.000 1.718 342 c CB -0.521 42.003 42.510 0.023 0.000 2.875 342 c HN 0.853 nan 8.230 nan 0.000 0.591 343 N N 2.693 121.404 118.700 0.018 0.000 2.921 343 N HA 0.085 4.825 4.740 -0.001 0.000 0.325 343 N C 0.418 175.932 175.510 0.007 0.000 1.194 343 N CA 0.351 53.410 53.050 0.014 0.000 1.184 343 N CB -0.072 38.423 38.487 0.015 0.000 1.433 343 N HN 0.601 nan 8.380 nan 0.000 0.539 344 V N -1.227 118.690 119.914 0.004 0.000 3.133 344 V HA 0.201 4.320 4.120 -0.001 0.000 0.305 344 V C 1.361 177.454 176.094 -0.001 0.000 1.084 344 V CA -0.299 62.002 62.300 0.002 0.000 1.089 344 V CB 1.110 32.933 31.823 0.001 0.000 1.073 344 V HN 0.242 nan 8.190 nan 0.000 0.477 345 S N 0.212 115.911 115.700 -0.001 0.000 2.461 345 S HA -0.011 4.458 4.470 -0.001 0.000 0.228 345 S C 0.571 175.169 174.600 -0.003 0.000 1.005 345 S CA 1.102 59.301 58.200 -0.002 0.000 0.942 345 S CB -0.408 62.791 63.200 -0.002 0.000 0.776 345 S HN 1.010 nan 8.310 nan 0.000 0.514 346 D N 0.843 121.241 120.400 -0.003 0.000 2.233 346 D HA 0.278 4.917 4.640 -0.001 0.000 0.240 346 D C 1.342 177.638 176.300 -0.008 0.000 1.074 346 D CA -0.050 53.947 54.000 -0.004 0.000 0.838 346 D CB 1.441 42.240 40.800 -0.002 0.000 1.124 346 D HN 0.108 nan 8.370 nan 0.000 0.475 347 T N 0.710 115.259 114.554 -0.009 0.000 2.580 347 T HA -0.221 4.128 4.350 -0.001 0.000 0.265 347 T C 2.039 176.725 174.700 -0.023 0.000 1.063 347 T CA 1.566 63.657 62.100 -0.017 0.000 1.170 347 T CB -0.863 67.997 68.868 -0.013 0.000 0.863 347 T HN 0.227 nan 8.240 nan 0.000 0.418 348 V N 2.318 122.224 119.914 -0.015 0.000 2.363 348 V HA -0.261 3.859 4.120 -0.001 0.000 0.254 348 V C 2.806 178.890 176.094 -0.016 0.000 1.074 348 V CA 2.359 64.651 62.300 -0.014 0.000 1.069 348 V CB -0.927 30.895 31.823 -0.002 0.000 0.659 348 V HN 0.610 nan 8.190 nan 0.000 0.455 349 E N -0.479 119.714 120.200 -0.012 0.000 2.072 349 E HA -0.143 4.207 4.350 -0.001 0.000 0.190 349 E C 2.233 178.825 176.600 -0.014 0.000 0.982 349 E CA 1.019 57.414 56.400 -0.008 0.000 0.803 349 E CB -0.148 29.550 29.700 -0.004 0.000 0.755 349 E HN 0.538 nan 8.360 nan 0.000 0.453 350 L N 0.881 122.091 121.223 -0.022 0.000 2.079 350 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 350 L C 2.280 179.114 176.870 -0.060 0.000 1.081 350 L CA 0.897 55.720 54.840 -0.029 0.000 0.752 350 L CB -0.030 42.012 42.059 -0.028 0.000 0.896 350 L HN 0.031 nan 8.230 nan 0.000 0.433 351 V N -0.074 119.787 119.914 -0.088 0.000 2.307 351 V HA -0.280 3.839 4.120 -0.001 0.000 0.245 351 V C 2.327 178.380 176.094 -0.068 0.000 1.045 351 V CA 2.069 64.273 62.300 -0.161 0.000 1.024 351 V CB -0.547 31.184 31.823 -0.154 0.000 0.651 351 V HN 0.486 nan 8.190 nan 0.000 0.449 352 E N -0.939 119.248 120.200 -0.022 0.000 2.118 352 E HA -0.269 4.080 4.350 -0.001 0.000 0.195 352 E C 2.270 178.884 176.600 0.023 0.000 0.992 352 E CA 1.585 57.992 56.400 0.011 0.000 0.804 352 E CB -0.409 29.295 29.700 0.006 0.000 0.741 352 E HN 0.642 nan 8.360 nan 0.000 0.458 353 c N 0.784 119.390 118.600 0.011 0.000 2.413 353 c HA -0.161 4.408 4.570 -0.001 0.000 0.277 353 c C 2.543 176.658 174.090 0.042 0.000 1.228 353 c CA 0.868 57.209 56.329 0.019 0.000 1.731 353 c CB -0.964 41.552 42.510 0.011 0.000 2.042 353 c HN 0.376 nan 8.230 nan 0.000 0.468 354 L N -0.101 121.152 121.223 0.049 0.000 2.141 354 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 354 L C 2.657 179.652 176.870 0.208 0.000 1.094 354 L CA 1.280 56.191 54.840 0.118 0.000 0.763 354 L CB -0.854 41.266 42.059 0.101 0.000 0.908 354 L HN 0.448 nan 8.230 nan 0.000 0.437 355 Q N -0.141 119.782 119.800 0.205 0.000 2.561 355 Q HA -0.153 4.187 4.340 -0.001 0.000 0.217 355 Q C 1.609 177.666 176.000 0.095 0.000 0.980 355 Q CA 0.749 56.677 55.803 0.207 0.000 0.927 355 Q CB 0.229 29.062 28.738 0.160 0.000 0.980 355 Q HN 0.381 nan 8.270 nan 0.000 0.525 356 K N 0.030 120.475 120.400 0.075 0.000 2.273 356 K HA 0.098 4.418 4.320 -0.001 0.000 0.206 356 K C 0.417 177.037 176.600 0.034 0.000 1.072 356 K CA 0.200 56.511 56.287 0.040 0.000 0.953 356 K CB 0.112 32.629 32.500 0.028 0.000 1.043 356 K HN -0.048 nan 8.250 nan 0.000 0.477 357 K N 2.454 122.879 120.400 0.041 0.000 2.600 357 K HA -0.063 4.256 4.320 -0.001 0.000 0.280 357 K C -2.411 174.196 176.600 0.013 0.000 0.971 357 K CA -0.585 55.718 56.287 0.026 0.000 1.053 357 K CB -0.810 31.715 32.500 0.042 0.000 0.856 357 K HN 0.015 nan 8.250 nan 0.000 0.495 358 P HA -0.072 nan 4.420 nan 0.000 0.264 358 P C 0.538 177.789 177.300 -0.082 0.000 1.193 358 P CA 0.085 63.130 63.100 -0.091 0.000 0.763 358 P CB 0.076 31.686 31.700 -0.149 0.000 0.810 359 Y N 3.979 124.259 120.300 -0.034 0.000 2.181 359 Y HA -0.281 4.268 4.550 -0.001 0.000 0.284 359 Y C 1.865 177.746 175.900 -0.033 0.000 1.179 359 Y CA 1.807 59.877 58.100 -0.050 0.000 1.179 359 Y CB -1.030 37.388 38.460 -0.069 0.000 0.973 359 Y HN 0.119 nan 8.280 nan 0.000 0.519 360 K N 1.075 121.242 120.400 -0.389 0.000 2.365 360 K HA -0.126 4.194 4.320 -0.001 0.000 0.199 360 K C 2.035 178.596 176.600 -0.066 0.000 1.045 360 K CA 1.360 57.532 56.287 -0.192 0.000 0.962 360 K CB -0.316 31.945 32.500 -0.398 0.000 0.759 360 K HN 0.724 nan 8.250 nan 0.000 0.469 361 E N -0.328 119.833 120.200 -0.066 0.000 2.122 361 E HA -0.078 4.271 4.350 -0.001 0.000 0.190 361 E C 1.587 178.199 176.600 0.021 0.000 0.977 361 E CA 0.574 56.962 56.400 -0.020 0.000 0.820 361 E CB 0.047 29.733 29.700 -0.023 0.000 0.770 361 E HN 0.279 nan 8.360 nan 0.000 0.462 362 L N 0.417 121.663 121.223 0.038 0.000 2.072 362 L HA -0.080 4.259 4.340 -0.001 0.000 0.205 362 L C 2.392 179.291 176.870 0.047 0.000 1.079 362 L CA 0.496 55.367 54.840 0.052 0.000 0.752 362 L CB -0.149 41.948 42.059 0.063 0.000 0.906 362 L HN 0.065 nan 8.230 nan 0.000 0.436 363 V N -0.625 119.326 119.914 0.061 0.000 3.078 363 V HA -0.189 3.930 4.120 -0.001 0.000 0.265 363 V C 1.332 177.467 176.094 0.068 0.000 1.122 363 V CA 1.369 63.709 62.300 0.067 0.000 1.141 363 V CB -0.454 31.434 31.823 0.107 0.000 0.735 363 V HN 0.400 nan 8.190 nan 0.000 0.498 364 D N -1.431 119.004 120.400 0.058 0.000 2.369 364 D HA 0.092 4.732 4.640 -0.001 0.000 0.211 364 D C 1.362 177.698 176.300 0.059 0.000 1.077 364 D CA 0.009 54.041 54.000 0.053 0.000 0.842 364 D CB 0.386 41.207 40.800 0.035 0.000 0.947 364 D HN 0.372 nan 8.370 nan 0.000 0.509 365 Q N 0.503 120.346 119.800 0.072 0.000 2.779 365 Q HA 0.076 4.415 4.340 -0.001 0.000 0.187 365 Q C 0.018 176.076 176.000 0.097 0.000 1.187 365 Q CA 0.597 56.451 55.803 0.085 0.000 1.274 365 Q CB 0.236 29.038 28.738 0.107 0.000 1.504 365 Q HN -0.048 nan 8.270 nan 0.000 0.683 366 D N -0.377 120.090 120.400 0.112 0.000 2.823 366 D HA 0.223 4.862 4.640 -0.001 0.000 0.255 366 D C -1.642 174.731 176.300 0.122 0.000 1.257 366 D CA -0.106 53.958 54.000 0.106 0.000 0.803 366 D CB 0.297 41.143 40.800 0.076 0.000 1.384 366 D HN 0.063 nan 8.370 nan 0.000 0.541 367 V N 2.828 122.844 119.914 0.169 0.000 2.408 367 V HA 0.328 4.447 4.120 -0.001 0.000 0.267 367 V C 0.302 176.430 176.094 0.056 0.000 1.047 367 V CA -0.349 62.048 62.300 0.161 0.000 0.937 367 V CB 1.253 33.232 31.823 0.260 0.000 0.999 367 V HN 0.280 nan 8.190 nan 0.000 0.472 368 Q N 6.671 126.504 119.800 0.055 0.000 2.290 368 Q HA 0.482 4.822 4.340 -0.001 0.000 0.259 368 Q C -2.322 173.656 176.000 -0.036 0.000 0.941 368 Q CA -1.686 54.119 55.803 0.003 0.000 0.912 368 Q CB 2.347 31.108 28.738 0.038 0.000 1.244 368 Q HN 0.540 nan 8.270 nan 0.000 0.441 369 P HA 0.392 nan 4.420 nan 0.000 0.287 369 P C -0.985 176.293 177.300 -0.037 0.000 1.279 369 P CA -0.612 62.330 63.100 -0.263 0.000 0.867 369 P CB 1.088 32.541 31.700 -0.411 0.000 1.127 370 A N 2.442 125.272 122.820 0.017 0.000 2.531 370 A HA 0.047 4.367 4.320 -0.001 0.000 0.236 370 A C 0.737 178.306 177.584 -0.024 0.000 1.062 370 A CA -0.058 51.951 52.037 -0.047 0.000 0.760 370 A CB -0.408 18.483 19.000 -0.180 0.000 0.995 370 A HN 0.575 nan 8.150 nan 0.000 0.501 371 R N 0.768 121.191 120.500 -0.129 0.000 2.638 371 R HA 0.085 4.424 4.340 -0.001 0.000 0.268 371 R C -0.571 175.614 176.300 -0.193 0.000 1.006 371 R CA 0.825 56.748 56.100 -0.295 0.000 1.088 371 R CB -0.157 29.762 30.300 -0.635 0.000 0.950 371 R HN 0.822 nan 8.270 nan 0.000 0.419 372 Y N -1.332 119.118 120.300 0.251 0.000 4.490 372 Y HA -0.291 4.259 4.550 -0.001 0.000 0.233 372 Y C -0.585 175.345 175.900 0.050 0.000 1.101 372 Y CA 0.806 59.038 58.100 0.220 0.000 2.010 372 Y CB -2.720 35.695 38.460 -0.076 0.000 1.622 372 Y HN 0.724 nan 8.280 nan 0.000 0.675 373 H N -0.995 118.193 119.070 0.198 0.000 2.949 373 H HA 0.823 5.379 4.556 -0.001 0.000 0.356 373 H C 0.205 175.578 175.328 0.074 0.000 1.212 373 H CA -0.696 55.431 56.048 0.132 0.000 1.136 373 H CB 1.415 31.206 29.762 0.049 0.000 1.869 373 H HN 0.110 nan 8.280 nan 0.000 0.556 374 I N -0.957 119.716 120.570 0.171 0.000 2.648 374 I HA 0.728 4.897 4.170 -0.001 0.000 0.304 374 I C 0.466 176.441 176.117 -0.237 0.000 1.009 374 I CA -0.931 60.371 61.300 0.003 0.000 1.114 374 I CB 2.251 40.300 38.000 0.081 0.000 1.293 374 I HN 0.632 nan 8.210 nan 0.000 0.449 375 A N 4.287 126.843 122.820 -0.440 0.000 1.862 375 A HA 0.369 4.689 4.320 -0.001 0.000 0.211 375 A C 0.466 177.588 177.584 -0.771 0.000 1.220 375 A CA 0.832 52.274 52.037 -0.991 0.000 0.616 375 A CB -0.258 18.148 19.000 -0.991 0.000 0.878 375 A HN 0.622 nan 8.150 nan 0.000 0.453 376 F N -1.286 118.623 119.950 -0.069 0.000 2.482 376 F HA 0.655 5.182 4.527 -0.001 0.000 0.331 376 F C 0.674 176.414 175.800 -0.100 0.000 1.115 376 F CA 0.012 58.025 58.000 0.022 0.000 0.955 376 F CB 2.026 41.106 39.000 0.135 0.000 1.136 376 F HN 0.452 nan 8.300 nan 0.000 0.452 377 G N 2.376 111.119 108.800 -0.093 0.000 2.325 377 G HA2 0.384 4.344 3.960 -0.001 0.000 0.295 377 G HA3 0.384 4.344 3.960 -0.001 0.000 0.295 377 G C -3.399 171.010 174.900 -0.818 0.000 1.274 377 G CA -0.997 43.487 45.100 -1.026 0.000 0.857 377 G HN 0.233 nan 8.290 nan 0.000 0.499 378 P HA 0.360 nan 4.420 nan 0.000 0.266 378 P C -0.172 176.920 177.300 -0.347 0.000 1.193 378 P CA 0.069 62.880 63.100 -0.481 0.000 0.770 378 P CB 1.014 32.424 31.700 -0.484 0.000 0.836 379 V N 0.974 120.745 119.914 -0.238 0.000 2.925 379 V HA 0.412 4.531 4.120 -0.001 0.000 0.311 379 V C -0.111 175.856 176.094 -0.212 0.000 1.104 379 V CA -1.020 61.132 62.300 -0.248 0.000 0.954 379 V CB 2.101 33.831 31.823 -0.154 0.000 1.022 379 V HN 0.226 nan 8.190 nan 0.000 0.427 380 I N 4.294 124.728 120.570 -0.228 0.000 2.453 380 I HA 0.105 4.275 4.170 -0.001 0.000 0.300 380 I C 1.235 177.299 176.117 -0.087 0.000 1.159 380 I CA 0.525 61.743 61.300 -0.137 0.000 1.379 380 I CB -0.516 37.423 38.000 -0.101 0.000 1.460 380 I HN 1.007 nan 8.210 nan 0.000 0.601 381 D N 4.189 124.539 120.400 -0.084 0.000 2.354 381 D HA -0.004 4.635 4.640 -0.001 0.000 0.209 381 D C 1.311 177.598 176.300 -0.022 0.000 1.015 381 D CA 0.906 54.870 54.000 -0.061 0.000 0.867 381 D CB 0.830 41.574 40.800 -0.094 0.000 0.933 381 D HN 0.677 nan 8.370 nan 0.000 0.520 382 G N 1.063 109.859 108.800 -0.007 0.000 2.241 382 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.244 382 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.244 382 G C 0.664 175.604 174.900 0.067 0.000 0.998 382 G CA 0.675 45.791 45.100 0.028 0.000 0.621 382 G HN 0.529 nan 8.290 nan 0.000 0.519 383 D N -0.921 119.516 120.400 0.061 0.000 3.206 383 D HA 0.284 4.924 4.640 -0.001 0.000 0.267 383 D C 2.462 178.823 176.300 0.103 0.000 1.506 383 D CA 1.102 55.194 54.000 0.153 0.000 1.173 383 D CB -0.199 40.683 40.800 0.136 0.000 1.141 383 D HN 0.187 nan 8.370 nan 0.000 0.350 384 V N 0.936 120.756 119.914 -0.158 0.000 2.261 384 V HA -0.053 4.066 4.120 -0.001 0.000 0.246 384 V C 0.807 176.836 176.094 -0.109 0.000 1.047 384 V CA 1.005 63.107 62.300 -0.330 0.000 1.015 384 V CB -0.185 31.380 31.823 -0.431 0.000 0.642 384 V HN 0.344 nan 8.190 nan 0.000 0.446 385 I N 2.037 122.559 120.570 -0.079 0.000 2.442 385 I HA 0.233 4.403 4.170 -0.001 0.000 0.279 385 I C -1.284 174.832 176.117 -0.002 0.000 1.081 385 I CA -2.348 58.928 61.300 -0.041 0.000 1.197 385 I CB 0.613 38.561 38.000 -0.086 0.000 1.394 385 I HN 0.189 nan 8.210 nan 0.000 0.488 386 P HA -0.161 nan 4.420 nan 0.000 0.217 386 P C 0.360 177.684 177.300 0.041 0.000 1.151 386 P CA 1.577 64.718 63.100 0.068 0.000 0.849 386 P CB 1.025 32.785 31.700 0.100 0.000 0.787 387 D N -2.213 118.207 120.400 0.033 0.000 2.838 387 D HA 0.096 4.735 4.640 -0.001 0.000 0.334 387 D C -1.304 175.014 176.300 0.031 0.000 1.315 387 D CA -0.626 53.394 54.000 0.033 0.000 0.917 387 D CB 0.785 41.609 40.800 0.039 0.000 1.435 387 D HN -0.265 nan 8.370 nan 0.000 0.517 388 D N 0.444 120.877 120.400 0.054 0.000 2.417 388 D HA 0.107 4.747 4.640 -0.001 0.000 0.250 388 D C -1.640 174.694 176.300 0.055 0.000 1.166 388 D CA -1.213 52.835 54.000 0.082 0.000 0.881 388 D CB 1.590 42.460 40.800 0.116 0.000 1.164 388 D HN -0.015 nan 8.370 nan 0.000 0.467 389 P HA -0.247 nan 4.420 nan 0.000 0.217 389 P C 1.195 178.507 177.300 0.020 0.000 1.158 389 P CA 1.741 64.851 63.100 0.016 0.000 0.887 389 P CB 0.183 31.882 31.700 -0.001 0.000 0.792 390 Q N -0.418 119.397 119.800 0.025 0.000 2.197 390 Q HA -0.171 4.168 4.340 -0.001 0.000 0.207 390 Q C 1.863 177.884 176.000 0.036 0.000 0.984 390 Q CA 1.721 57.533 55.803 0.015 0.000 0.869 390 Q CB -1.071 27.666 28.738 -0.002 0.000 0.906 390 Q HN 0.249 nan 8.270 nan 0.000 0.426 391 I N -0.775 119.821 120.570 0.043 0.000 2.235 391 I HA -0.208 3.961 4.170 -0.001 0.000 0.241 391 I C 2.025 178.182 176.117 0.066 0.000 1.085 391 I CA 0.595 61.926 61.300 0.052 0.000 1.378 391 I CB -0.302 37.724 38.000 0.045 0.000 1.076 391 I HN 0.181 nan 8.210 nan 0.000 0.415 392 L N 0.031 121.291 121.223 0.062 0.000 2.021 392 L HA -0.291 4.048 4.340 -0.001 0.000 0.215 392 L C 2.777 179.724 176.870 0.129 0.000 1.074 392 L CA 1.335 56.221 54.840 0.077 0.000 0.760 392 L CB -0.701 41.403 42.059 0.075 0.000 0.889 392 L HN 0.321 nan 8.230 nan 0.000 0.433 393 M N -0.394 119.273 119.600 0.111 0.000 2.108 393 M HA -0.209 4.271 4.480 -0.001 0.000 0.261 393 M C 2.146 178.618 176.300 0.287 0.000 1.066 393 M CA 1.777 57.165 55.300 0.146 0.000 1.107 393 M CB -1.005 31.609 32.600 0.024 0.000 1.356 393 M HN 0.326 nan 8.290 nan 0.000 0.406 394 E N -0.290 120.034 120.200 0.207 0.000 2.208 394 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 394 E C 1.606 178.389 176.600 0.305 0.000 0.988 394 E CA 0.659 57.209 56.400 0.252 0.000 0.828 394 E CB -0.080 29.705 29.700 0.142 0.000 0.763 394 E HN 0.645 nan 8.360 nan 0.000 0.478 395 Q N -0.340 119.556 119.800 0.160 0.000 2.320 395 Q HA 0.119 4.459 4.340 -0.001 0.000 0.201 395 Q C 0.783 176.632 176.000 -0.253 0.000 0.910 395 Q CA 0.302 56.137 55.803 0.053 0.000 0.946 395 Q CB 0.868 29.615 28.738 0.014 0.000 1.062 395 Q HN 0.336 nan 8.270 nan 0.000 0.503 396 G N 1.694 110.161 108.800 -0.554 0.000 2.203 396 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.263 396 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.263 396 G C 0.088 174.392 174.900 -0.994 0.000 1.012 396 G CA 0.047 44.139 45.100 -1.681 0.000 0.749 396 G HN 0.281 nan 8.290 nan 0.000 0.512 397 E N -0.105 119.905 120.200 -0.316 0.000 2.773 397 E HA 0.353 4.702 4.350 -0.001 0.000 0.302 397 E C 0.332 176.968 176.600 0.061 0.000 1.574 397 E CA 0.348 56.667 56.400 -0.134 0.000 1.775 397 E CB -0.803 28.888 29.700 -0.014 0.000 1.413 397 E HN 0.714 nan 8.360 nan 0.000 0.471 398 F N -2.256 117.613 119.950 -0.135 0.000 2.631 398 F HA 0.477 5.003 4.527 -0.001 0.000 0.308 398 F C -0.436 175.385 175.800 0.035 0.000 1.097 398 F CA -1.403 56.594 58.000 -0.005 0.000 0.952 398 F CB 0.629 39.622 39.000 -0.012 0.000 1.307 398 F HN -0.245 nan 8.300 nan 0.000 0.450 399 L N 2.254 123.668 121.223 0.319 0.000 2.482 399 L HA 0.308 4.647 4.340 -0.001 0.000 0.242 399 L C 0.088 177.066 176.870 0.179 0.000 1.210 399 L CA -0.960 53.915 54.840 0.059 0.000 0.819 399 L CB 0.440 42.401 42.059 -0.162 0.000 1.203 399 L HN 0.818 nan 8.230 nan 0.000 0.495 400 N N -0.387 118.260 118.700 -0.088 0.000 2.438 400 N HA 0.307 5.046 4.740 -0.001 0.000 0.282 400 N C -1.461 173.975 175.510 -0.123 0.000 1.037 400 N CA -0.294 52.803 53.050 0.078 0.000 0.942 400 N CB 1.188 39.691 38.487 0.026 0.000 1.136 400 N HN 0.344 nan 8.380 nan 0.000 0.481 401 Y N -0.812 119.585 120.300 0.161 0.000 2.669 401 Y HA 0.363 4.912 4.550 -0.001 0.000 0.335 401 Y C -0.281 175.690 175.900 0.119 0.000 1.116 401 Y CA -1.242 56.912 58.100 0.090 0.000 1.081 401 Y CB 1.125 39.642 38.460 0.095 0.000 1.297 401 Y HN 0.361 nan 8.280 nan 0.000 0.484 402 D N 1.887 122.452 120.400 0.274 0.000 2.313 402 D HA 0.309 4.949 4.640 -0.001 0.000 0.239 402 D C -0.643 175.910 176.300 0.422 0.000 1.142 402 D CA 0.213 54.375 54.000 0.270 0.000 0.847 402 D CB 1.171 41.990 40.800 0.032 0.000 1.082 402 D HN 0.219 nan 8.370 nan 0.000 0.480 403 I N 2.786 123.535 120.570 0.299 0.000 2.412 403 I HA 0.378 4.548 4.170 -0.001 0.000 0.296 403 I C 0.178 176.267 176.117 -0.047 0.000 0.987 403 I CA -0.528 60.811 61.300 0.064 0.000 1.180 403 I CB 1.672 39.514 38.000 -0.263 0.000 1.340 403 I HN 0.274 nan 8.210 nan 0.000 0.455 404 M N 8.775 128.195 119.600 -0.301 0.000 2.267 404 M HA 0.630 5.109 4.480 -0.001 0.000 0.289 404 M C -1.979 174.137 176.300 -0.307 0.000 1.043 404 M CA -0.531 54.458 55.300 -0.519 0.000 0.928 404 M CB 2.070 33.861 32.600 -1.348 0.000 1.613 404 M HN 0.558 nan 8.290 nan 0.000 0.450 405 L N 1.963 123.063 121.223 -0.205 0.000 2.568 405 L HA 1.142 5.481 4.340 -0.001 0.000 0.257 405 L C -0.995 175.444 176.870 -0.718 0.000 1.024 405 L CA -0.654 54.032 54.840 -0.256 0.000 0.854 405 L CB 1.999 43.892 42.059 -0.277 0.000 1.460 405 L HN 0.783 nan 8.230 nan 0.000 0.409 406 G N 0.132 108.330 108.800 -1.003 0.000 2.488 406 G HA2 0.609 4.568 3.960 -0.001 0.000 0.301 406 G HA3 0.609 4.568 3.960 -0.001 0.000 0.301 406 G C -1.456 172.824 174.900 -1.033 0.000 1.339 406 G CA -0.002 43.989 45.100 -1.848 0.000 0.803 406 G HN 1.322 nan 8.290 nan 0.000 0.482 407 V N -2.470 116.959 119.914 -0.809 0.000 3.158 407 V HA 0.886 5.006 4.120 -0.001 0.000 0.311 407 V C -0.879 175.096 176.094 -0.198 0.000 1.181 407 V CA -1.451 60.661 62.300 -0.314 0.000 1.054 407 V CB 1.916 33.681 31.823 -0.096 0.000 1.085 407 V HN 0.652 nan 8.190 nan 0.000 0.446 408 N N 0.684 119.310 118.700 -0.123 0.000 2.430 408 N HA 0.389 5.128 4.740 -0.001 0.000 0.298 408 N C 0.647 176.031 175.510 -0.211 0.000 1.130 408 N CA -0.258 52.744 53.050 -0.080 0.000 0.894 408 N CB 1.702 40.182 38.487 -0.011 0.000 1.209 408 N HN 0.962 nan 8.380 nan 0.000 0.503 409 Q N 0.949 120.486 119.800 -0.439 0.000 2.014 409 Q HA -0.101 4.238 4.340 -0.001 0.000 0.207 409 Q C 0.299 176.204 176.000 -0.157 0.000 0.993 409 Q CA 1.900 57.392 55.803 -0.518 0.000 0.850 409 Q CB -0.352 27.817 28.738 -0.950 0.000 0.916 409 Q HN 0.737 nan 8.270 nan 0.000 0.417 410 G N 0.354 109.067 108.800 -0.145 0.000 4.637 410 G HA2 0.113 4.072 3.960 -0.001 0.000 0.308 410 G HA3 0.113 4.072 3.960 -0.001 0.000 0.308 410 G C 0.222 175.064 174.900 -0.097 0.000 1.377 410 G CA -0.403 44.669 45.100 -0.046 0.000 1.176 410 G HN 0.241 nan 8.290 nan 0.000 0.601 411 E N 1.392 121.456 120.200 -0.226 0.000 2.055 411 E HA -0.162 4.187 4.350 -0.001 0.000 0.209 411 E C 2.136 178.481 176.600 -0.425 0.000 1.036 411 E CA 1.503 57.541 56.400 -0.603 0.000 0.849 411 E CB -0.357 28.576 29.700 -1.278 0.000 0.767 411 E HN 0.381 nan 8.360 nan 0.000 0.461 412 G N 1.716 110.508 108.800 -0.013 0.000 3.263 412 G HA2 0.131 4.090 3.960 -0.001 0.000 0.246 412 G HA3 0.131 4.090 3.960 -0.001 0.000 0.246 412 G C 1.046 176.166 174.900 0.367 0.000 0.982 412 G CA -0.166 45.241 45.100 0.512 0.000 1.897 412 G HN 0.054 nan 8.290 nan 0.000 0.624 413 L N 0.554 121.897 121.223 0.201 0.000 1.961 413 L HA -0.005 4.334 4.340 -0.001 0.000 0.210 413 L C 2.449 179.452 176.870 0.222 0.000 1.072 413 L CA 1.827 56.779 54.840 0.188 0.000 0.749 413 L CB -0.298 41.799 42.059 0.063 0.000 0.889 413 L HN 0.088 nan 8.230 nan 0.000 0.432 414 K N -0.498 120.020 120.400 0.198 0.000 2.228 414 K HA -0.261 4.059 4.320 -0.001 0.000 0.205 414 K C 2.125 178.830 176.600 0.175 0.000 1.045 414 K CA 1.762 58.157 56.287 0.179 0.000 0.931 414 K CB -1.013 31.595 32.500 0.179 0.000 0.727 414 K HN 0.431 nan 8.250 nan 0.000 0.458 415 F N 1.457 121.386 119.950 -0.035 0.000 2.102 415 F HA -0.223 4.303 4.527 -0.001 0.000 0.298 415 F C 2.040 177.743 175.800 -0.161 0.000 1.105 415 F CA 1.626 59.432 58.000 -0.324 0.000 1.239 415 F CB -0.262 38.190 39.000 -0.914 0.000 0.991 415 F HN -0.120 nan 8.300 nan 0.000 0.474 416 V N -2.298 117.542 119.914 -0.122 0.000 2.949 416 V HA 0.019 4.138 4.120 -0.001 0.000 0.245 416 V C 2.039 178.124 176.094 -0.015 0.000 1.086 416 V CA 1.238 63.425 62.300 -0.190 0.000 1.097 416 V CB -0.873 30.912 31.823 -0.063 0.000 0.762 416 V HN 0.401 nan 8.190 nan 0.000 0.470 417 E N 1.640 121.931 120.200 0.153 0.000 2.284 417 E HA -0.378 3.972 4.350 -0.001 0.000 0.200 417 E C 1.963 178.634 176.600 0.119 0.000 1.008 417 E CA 1.845 58.392 56.400 0.245 0.000 0.829 417 E CB -0.269 29.572 29.700 0.234 0.000 0.744 417 E HN 0.756 nan 8.360 nan 0.000 0.491 418 N N 0.816 119.539 118.700 0.039 0.000 2.061 418 N HA -0.183 4.556 4.740 -0.001 0.000 0.193 418 N C 1.319 176.833 175.510 0.006 0.000 1.030 418 N CA 1.988 55.046 53.050 0.014 0.000 0.856 418 N CB -0.060 38.407 38.487 -0.032 0.000 1.023 418 N HN 0.423 nan 8.380 nan 0.000 0.424 419 I N -2.419 118.135 120.570 -0.027 0.000 2.998 419 I HA 0.390 4.560 4.170 -0.001 0.000 0.338 419 I C -1.117 174.972 176.117 -0.046 0.000 1.413 419 I CA -0.725 60.560 61.300 -0.024 0.000 0.880 419 I CB 0.818 38.805 38.000 -0.022 0.000 2.051 419 I HN -0.264 nan 8.210 nan 0.000 0.561 420 V N 3.372 123.262 119.914 -0.040 0.000 2.288 420 V HA 0.132 4.251 4.120 -0.001 0.000 0.266 420 V C 0.075 176.131 176.094 -0.063 0.000 1.048 420 V CA -0.461 61.771 62.300 -0.113 0.000 0.842 420 V CB 0.573 32.276 31.823 -0.201 0.000 1.064 420 V HN 0.666 nan 8.190 nan 0.000 0.472 421 D N 3.606 123.966 120.400 -0.066 0.000 2.341 421 D HA -0.088 4.551 4.640 -0.001 0.000 0.235 421 D C 1.540 177.825 176.300 -0.024 0.000 1.265 421 D CA 0.519 54.498 54.000 -0.035 0.000 0.888 421 D CB 0.584 41.362 40.800 -0.038 0.000 1.192 421 D HN 0.466 nan 8.370 nan 0.000 0.462 422 S N -0.588 115.111 115.700 -0.002 0.000 2.420 422 S HA -0.265 4.204 4.470 -0.001 0.000 0.237 422 S C 0.679 175.285 174.600 0.009 0.000 1.023 422 S CA 1.399 59.608 58.200 0.016 0.000 0.991 422 S CB -0.490 62.718 63.200 0.015 0.000 0.792 422 S HN 0.589 nan 8.310 nan 0.000 0.488 423 D N 1.536 121.925 120.400 -0.019 0.000 2.395 423 D HA 0.220 4.859 4.640 -0.001 0.000 0.226 423 D C -0.480 175.779 176.300 -0.068 0.000 1.146 423 D CA 0.027 54.011 54.000 -0.027 0.000 0.830 423 D CB -0.189 40.593 40.800 -0.029 0.000 0.958 423 D HN 0.142 nan 8.370 nan 0.000 0.501 424 D N -0.029 120.309 120.400 -0.104 0.000 2.751 424 D HA -0.145 4.494 4.640 -0.001 0.000 0.233 424 D C 0.620 176.720 176.300 -0.333 0.000 1.149 424 D CA 1.233 55.064 54.000 -0.282 0.000 0.682 424 D CB -1.144 39.511 40.800 -0.243 0.000 1.068 424 D HN 0.444 nan 8.370 nan 0.000 0.429 425 G N -1.600 107.064 108.800 -0.226 0.000 3.013 425 G HA2 0.715 4.675 3.960 -0.001 0.000 0.278 425 G HA3 0.715 4.675 3.960 -0.001 0.000 0.278 425 G C -0.827 173.969 174.900 -0.174 0.000 1.353 425 G CA -0.525 44.458 45.100 -0.194 0.000 1.043 425 G HN 0.149 nan 8.290 nan 0.000 0.523 426 V N 0.730 120.568 119.914 -0.128 0.000 2.569 426 V HA 0.392 4.511 4.120 -0.001 0.000 0.301 426 V C 0.171 176.243 176.094 -0.037 0.000 1.044 426 V CA -0.959 61.294 62.300 -0.077 0.000 0.874 426 V CB 1.508 33.295 31.823 -0.060 0.000 1.002 426 V HN 1.043 nan 8.190 nan 0.000 0.424 427 S N 3.488 119.184 115.700 -0.006 0.000 2.533 427 S HA 0.353 4.822 4.470 -0.001 0.000 0.282 427 S C 1.458 176.094 174.600 0.060 0.000 1.304 427 S CA 0.144 58.353 58.200 0.014 0.000 1.063 427 S CB 1.483 64.692 63.200 0.016 0.000 0.881 427 S HN 1.321 nan 8.310 nan 0.000 0.493 428 A N 3.464 126.312 122.820 0.046 0.000 2.042 428 A HA -0.135 4.184 4.320 -0.001 0.000 0.222 428 A C 2.384 180.068 177.584 0.166 0.000 1.167 428 A CA 1.961 54.049 52.037 0.084 0.000 0.649 428 A CB -1.338 17.696 19.000 0.056 0.000 0.809 428 A HN 1.287 nan 8.150 nan 0.000 0.457 429 S N -0.925 114.847 115.700 0.121 0.000 2.436 429 S HA -0.082 4.387 4.470 -0.001 0.000 0.228 429 S C 1.385 176.085 174.600 0.167 0.000 1.014 429 S CA 0.971 59.246 58.200 0.126 0.000 0.950 429 S CB -0.224 63.015 63.200 0.065 0.000 0.784 429 S HN 0.492 nan 8.310 nan 0.000 0.504 430 D N 0.653 121.146 120.400 0.157 0.000 2.194 430 D HA 0.089 4.728 4.640 -0.001 0.000 0.204 430 D C 1.409 177.839 176.300 0.217 0.000 0.964 430 D CA 0.565 54.679 54.000 0.191 0.000 0.846 430 D CB -0.239 40.626 40.800 0.108 0.000 0.962 430 D HN 0.469 nan 8.370 nan 0.000 0.490 431 F N 1.793 121.771 119.950 0.046 0.000 2.098 431 F HA -0.142 4.385 4.527 -0.001 0.000 0.294 431 F C 1.822 177.653 175.800 0.051 0.000 1.107 431 F CA 1.209 59.214 58.000 0.008 0.000 1.234 431 F CB -0.053 38.934 39.000 -0.022 0.000 1.002 431 F HN -0.250 nan 8.300 nan 0.000 0.472 432 D N -0.054 120.503 120.400 0.260 0.000 2.190 432 D HA -0.228 4.411 4.640 -0.001 0.000 0.200 432 D C 1.898 178.259 176.300 0.102 0.000 0.992 432 D CA 1.412 55.506 54.000 0.157 0.000 0.854 432 D CB -0.502 40.430 40.800 0.220 0.000 0.936 432 D HN 0.366 nan 8.370 nan 0.000 0.462 433 F N 1.162 121.108 119.950 -0.007 0.000 2.094 433 F HA 0.047 4.573 4.527 -0.001 0.000 0.291 433 F C 2.202 177.990 175.800 -0.020 0.000 1.109 433 F CA 1.374 59.373 58.000 -0.002 0.000 1.221 433 F CB -0.794 38.210 39.000 0.007 0.000 1.014 433 F HN -0.054 nan 8.300 nan 0.000 0.473 434 A N 0.333 122.963 122.820 -0.317 0.000 1.940 434 A HA -0.225 4.094 4.320 -0.001 0.000 0.221 434 A C 2.309 179.744 177.584 -0.250 0.000 1.190 434 A CA 2.631 54.421 52.037 -0.412 0.000 0.647 434 A CB -1.552 17.244 19.000 -0.340 0.000 0.821 434 A HN 0.344 nan 8.150 nan 0.000 0.457 435 V N -0.570 119.174 119.914 -0.283 0.000 2.244 435 V HA -0.207 3.912 4.120 -0.001 0.000 0.244 435 V C 2.726 178.838 176.094 0.030 0.000 1.042 435 V CA 2.249 64.452 62.300 -0.162 0.000 1.006 435 V CB -1.038 30.603 31.823 -0.304 0.000 0.641 435 V HN 0.571 nan 8.190 nan 0.000 0.446 436 S N 0.353 116.039 115.700 -0.023 0.000 2.392 436 S HA -0.311 4.158 4.470 -0.001 0.000 0.232 436 S C 1.853 176.469 174.600 0.027 0.000 1.041 436 S CA 2.301 60.526 58.200 0.041 0.000 1.026 436 S CB -0.635 62.608 63.200 0.071 0.000 0.845 436 S HN 0.741 nan 8.310 nan 0.000 0.465 437 N N 0.464 119.094 118.700 -0.116 0.000 2.135 437 N HA -0.045 4.694 4.740 -0.001 0.000 0.186 437 N C 1.592 177.166 175.510 0.107 0.000 1.027 437 N CA 1.104 54.083 53.050 -0.118 0.000 0.849 437 N CB -0.358 37.851 38.487 -0.463 0.000 1.002 437 N HN 0.392 nan 8.380 nan 0.000 0.425 438 F N 0.620 120.599 119.950 0.049 0.000 2.120 438 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 438 F C 1.771 177.662 175.800 0.152 0.000 1.095 438 F CA 1.176 59.284 58.000 0.180 0.000 1.249 438 F CB -0.346 38.710 39.000 0.095 0.000 0.995 438 F HN -0.084 nan 8.300 nan 0.000 0.480 439 V N 0.859 120.982 119.914 0.347 0.000 2.358 439 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 439 V C 2.069 178.260 176.094 0.162 0.000 1.047 439 V CA 2.156 64.626 62.300 0.284 0.000 1.035 439 V CB -0.731 31.269 31.823 0.295 0.000 0.658 439 V HN 0.331 nan 8.190 nan 0.000 0.452 440 D N 0.350 120.815 120.400 0.109 0.000 2.123 440 D HA -0.160 4.480 4.640 -0.001 0.000 0.196 440 D C 1.989 178.300 176.300 0.019 0.000 0.992 440 D CA 1.291 55.331 54.000 0.067 0.000 0.833 440 D CB -0.288 40.541 40.800 0.048 0.000 0.954 440 D HN 0.438 nan 8.370 nan 0.000 0.455 441 N N 0.066 118.760 118.700 -0.011 0.000 2.290 441 N HA -0.041 4.698 4.740 -0.001 0.000 0.179 441 N C 1.699 177.154 175.510 -0.091 0.000 1.016 441 N CA 0.249 53.270 53.050 -0.048 0.000 0.871 441 N CB 0.171 38.631 38.487 -0.045 0.000 0.987 441 N HN 0.164 nan 8.380 nan 0.000 0.431 442 L N -0.353 120.718 121.223 -0.253 0.000 2.477 442 L HA 0.103 4.442 4.340 -0.001 0.000 0.220 442 L C -0.366 176.056 176.870 -0.745 0.000 1.106 442 L CA 0.804 55.300 54.840 -0.573 0.000 0.851 442 L CB -0.303 41.122 42.059 -1.056 0.000 0.994 442 L HN 0.092 nan 8.230 nan 0.000 0.462 443 Y N -0.818 119.437 120.300 -0.076 0.000 2.475 443 Y HA 0.524 5.073 4.550 -0.001 0.000 0.343 443 Y C 0.674 176.615 175.900 0.069 0.000 1.068 443 Y CA -0.694 57.441 58.100 0.060 0.000 1.307 443 Y CB 0.803 39.355 38.460 0.154 0.000 1.097 443 Y HN -0.086 nan 8.280 nan 0.000 0.530 452 L N 1.015 122.248 121.223 0.017 0.000 2.131 452 L HA 0.123 4.463 4.340 -0.001 0.000 0.206 452 L C 2.634 179.532 176.870 0.047 0.000 1.087 452 L CA 1.834 56.677 54.840 0.004 0.000 0.767 452 L CB -0.597 41.431 42.059 -0.050 0.000 0.917 452 L HN 0.391 nan 8.230 nan 0.000 0.441 453 R N 0.738 121.280 120.500 0.070 0.000 2.112 453 R HA -0.270 4.069 4.340 -0.001 0.000 0.242 453 R C 2.119 178.487 176.300 0.113 0.000 1.137 453 R CA 2.227 58.388 56.100 0.101 0.000 0.944 453 R CB -0.112 30.245 30.300 0.095 0.000 0.857 453 R HN 0.217 nan 8.270 nan 0.000 0.435 454 E N -0.654 119.608 120.200 0.104 0.000 2.150 454 E HA -0.081 4.268 4.350 -0.001 0.000 0.193 454 E C 1.767 178.471 176.600 0.174 0.000 0.985 454 E CA 1.688 58.170 56.400 0.136 0.000 0.814 454 E CB -0.077 29.680 29.700 0.096 0.000 0.752 454 E HN 0.331 nan 8.360 nan 0.000 0.466 455 T N 0.873 115.497 114.554 0.118 0.000 2.821 455 T HA -0.083 4.267 4.350 -0.001 0.000 0.267 455 T C 1.619 176.427 174.700 0.180 0.000 1.046 455 T CA 0.967 63.142 62.100 0.124 0.000 1.139 455 T CB -0.055 68.832 68.868 0.032 0.000 0.871 455 T HN 0.100 nan 8.240 nan 0.000 0.454 456 I N 1.437 122.092 120.570 0.141 0.000 2.163 456 I HA -0.087 4.083 4.170 -0.001 0.000 0.240 456 I C 2.327 178.622 176.117 0.297 0.000 1.081 456 I CA 1.418 62.824 61.300 0.177 0.000 1.353 456 I CB -1.081 37.009 38.000 0.149 0.000 1.054 456 I HN 0.255 nan 8.210 nan 0.000 0.407 457 K N 0.170 120.729 120.400 0.265 0.000 2.074 457 K HA -0.238 4.081 4.320 -0.001 0.000 0.209 457 K C 2.184 179.032 176.600 0.414 0.000 1.048 457 K CA 1.694 58.194 56.287 0.355 0.000 0.926 457 K CB -0.430 32.266 32.500 0.326 0.000 0.713 457 K HN 0.181 nan 8.250 nan 0.000 0.444 458 F N 1.725 121.864 119.950 0.314 0.000 2.051 458 F HA -0.221 4.305 4.527 -0.001 0.000 0.296 458 F C 2.129 178.133 175.800 0.339 0.000 1.122 458 F CA 1.438 59.710 58.000 0.454 0.000 1.201 458 F CB -0.196 38.980 39.000 0.293 0.000 0.978 458 F HN -0.097 nan 8.300 nan 0.000 0.472 459 M N -0.876 118.811 119.600 0.144 0.000 2.260 459 M HA -0.236 4.244 4.480 -0.001 0.000 0.261 459 M C 0.777 176.859 176.300 -0.363 0.000 1.066 459 M CA 1.512 56.718 55.300 -0.156 0.000 1.082 459 M CB -1.567 30.948 32.600 -0.141 0.000 1.388 459 M HN 0.277 nan 8.290 nan 0.000 0.419 460 Y N -0.522 119.760 120.300 -0.031 0.000 2.774 460 Y HA 0.236 4.785 4.550 -0.001 0.000 0.305 460 Y C 0.050 175.861 175.900 -0.148 0.000 1.067 460 Y CA -0.306 57.793 58.100 -0.001 0.000 1.304 460 Y CB 0.357 38.920 38.460 0.171 0.000 1.209 460 Y HN -0.109 nan 8.280 nan 0.000 0.543 461 T N 0.158 114.479 114.554 -0.389 0.000 2.890 461 T HA 0.064 4.413 4.350 -0.001 0.000 0.295 461 T C -1.104 172.992 174.700 -1.007 0.000 0.993 461 T CA -0.778 60.821 62.100 -0.835 0.000 0.979 461 T CB 0.771 68.817 68.868 -1.371 0.000 0.967 461 T HN 0.094 nan 8.240 nan 0.000 0.441 462 D N 2.300 122.320 120.400 -0.634 0.000 2.383 462 D HA 0.095 4.734 4.640 -0.001 0.000 0.245 462 D C 0.458 176.497 176.300 -0.435 0.000 1.263 462 D CA -0.482 53.267 54.000 -0.418 0.000 0.936 462 D CB 0.281 40.941 40.800 -0.233 0.000 1.053 462 D HN 0.589 nan 8.370 nan 0.000 0.507 463 W N 2.957 124.147 121.300 -0.183 0.000 2.468 463 W HA -0.021 4.638 4.660 -0.001 0.000 0.262 463 W C 2.049 178.500 176.519 -0.113 0.000 1.241 463 W CA 0.398 57.652 57.345 -0.152 0.000 1.232 463 W CB -0.093 29.292 29.460 -0.125 0.000 1.124 463 W HN 0.547 nan 8.180 nan 0.000 0.597 464 A N 0.074 122.938 122.820 0.073 0.000 2.310 464 A HA 0.057 4.376 4.320 -0.001 0.000 0.230 464 A C 0.551 178.129 177.584 -0.011 0.000 1.294 464 A CA 1.014 53.074 52.037 0.038 0.000 0.898 464 A CB -0.358 18.657 19.000 0.025 0.000 0.917 464 A HN 0.156 nan 8.150 nan 0.000 0.491 465 D N -0.687 119.678 120.400 -0.058 0.000 4.356 465 D HA -0.057 4.582 4.640 -0.001 0.000 0.212 465 D C 0.822 177.012 176.300 -0.182 0.000 1.367 465 D CA 0.074 54.024 54.000 -0.083 0.000 0.791 465 D CB -0.646 40.108 40.800 -0.077 0.000 1.503 465 D HN 0.527 nan 8.370 nan 0.000 0.800 466 R N -0.313 120.033 120.500 -0.256 0.000 2.425 466 R HA -0.007 4.333 4.340 -0.001 0.000 0.206 466 R C 0.310 176.266 176.300 -0.574 0.000 1.117 466 R CA 1.329 57.148 56.100 -0.468 0.000 1.098 466 R CB -0.558 29.498 30.300 -0.406 0.000 0.843 466 R HN 0.285 nan 8.270 nan 0.000 0.480 467 H N -1.778 117.219 119.070 -0.122 0.000 3.643 467 H HA 0.148 4.704 4.556 -0.001 0.000 0.256 467 H C -0.226 175.037 175.328 -0.108 0.000 1.107 467 H CA -0.681 55.306 56.048 -0.102 0.000 1.175 467 H CB 0.425 30.155 29.762 -0.053 0.000 1.519 467 H HN 0.108 nan 8.280 nan 0.000 0.565 468 N N 2.846 121.537 118.700 -0.015 0.000 2.429 468 N HA -0.035 4.704 4.740 -0.001 0.000 0.271 468 N C -1.998 173.459 175.510 -0.088 0.000 1.272 468 N CA -1.193 51.831 53.050 -0.044 0.000 0.921 468 N CB 1.111 39.564 38.487 -0.055 0.000 1.128 468 N HN 0.111 nan 8.380 nan 0.000 0.481 469 P HA -0.041 nan 4.420 nan 0.000 0.221 469 P C 0.577 177.795 177.300 -0.137 0.000 1.150 469 P CA 1.064 64.100 63.100 -0.107 0.000 0.800 469 P CB 0.399 32.049 31.700 -0.084 0.000 0.787 470 E N -1.202 118.925 120.200 -0.122 0.000 2.107 470 E HA -0.090 4.259 4.350 -0.001 0.000 0.191 470 E C 1.723 178.251 176.600 -0.120 0.000 0.982 470 E CA 1.253 57.569 56.400 -0.140 0.000 0.809 470 E CB -0.519 29.126 29.700 -0.091 0.000 0.756 470 E HN 0.214 nan 8.360 nan 0.000 0.459 471 T N 0.692 115.184 114.554 -0.104 0.000 2.770 471 T HA -0.128 4.221 4.350 -0.001 0.000 0.263 471 T C 1.792 176.405 174.700 -0.144 0.000 1.039 471 T CA 0.849 62.888 62.100 -0.101 0.000 1.142 471 T CB -0.143 68.658 68.868 -0.112 0.000 0.868 471 T HN 0.083 nan 8.240 nan 0.000 0.435 472 R N 0.895 121.271 120.500 -0.206 0.000 2.211 472 R HA -0.106 4.233 4.340 -0.001 0.000 0.240 472 R C 2.502 178.696 176.300 -0.176 0.000 1.144 472 R CA 1.211 57.127 56.100 -0.307 0.000 0.992 472 R CB -0.071 30.031 30.300 -0.331 0.000 0.869 472 R HN 0.273 nan 8.270 nan 0.000 0.462 473 R N 0.459 120.882 120.500 -0.129 0.000 2.075 473 R HA -0.048 4.292 4.340 -0.001 0.000 0.220 473 R C 1.755 178.048 176.300 -0.013 0.000 1.118 473 R CA 1.044 57.085 56.100 -0.099 0.000 0.986 473 R CB 0.018 30.169 30.300 -0.249 0.000 0.884 473 R HN 0.094 nan 8.270 nan 0.000 0.439 474 K N 0.101 120.498 120.400 -0.007 0.000 2.020 474 K HA -0.174 4.145 4.320 -0.001 0.000 0.212 474 K C 2.133 178.812 176.600 0.132 0.000 1.050 474 K CA 2.549 58.886 56.287 0.082 0.000 0.929 474 K CB -0.383 32.161 32.500 0.073 0.000 0.714 474 K HN 0.423 nan 8.250 nan 0.000 0.443 475 T N 0.370 114.989 114.554 0.109 0.000 2.788 475 T HA -0.133 4.216 4.350 -0.001 0.000 0.268 475 T C 1.875 176.753 174.700 0.297 0.000 1.044 475 T CA 1.001 63.232 62.100 0.219 0.000 1.139 475 T CB -0.325 68.630 68.868 0.145 0.000 0.867 475 T HN 0.080 nan 8.240 nan 0.000 0.454 476 L N 0.814 122.206 121.223 0.281 0.000 2.131 476 L HA 0.230 4.569 4.340 -0.001 0.000 0.210 476 L C 2.280 179.284 176.870 0.223 0.000 1.092 476 L CA 1.371 56.389 54.840 0.296 0.000 0.759 476 L CB -0.901 41.344 42.059 0.310 0.000 0.903 476 L HN 0.440 nan 8.230 nan 0.000 0.435 477 L N -1.088 120.273 121.223 0.229 0.000 2.109 477 L HA -0.011 4.328 4.340 -0.001 0.000 0.207 477 L C 2.443 179.492 176.870 0.299 0.000 1.086 477 L CA 1.300 56.321 54.840 0.302 0.000 0.760 477 L CB -0.412 41.807 42.059 0.267 0.000 0.910 477 L HN 0.262 nan 8.230 nan 0.000 0.437 478 A N 0.147 123.126 122.820 0.265 0.000 1.933 478 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 478 A C 2.261 179.990 177.584 0.241 0.000 1.175 478 A CA 1.851 54.069 52.037 0.302 0.000 0.628 478 A CB -0.917 18.315 19.000 0.386 0.000 0.814 478 A HN 0.550 nan 8.150 nan 0.000 0.444 479 L N -1.926 119.261 121.223 -0.060 0.000 1.963 479 L HA -0.245 4.095 4.340 -0.001 0.000 0.220 479 L C 2.420 179.171 176.870 -0.198 0.000 1.076 479 L CA 2.466 56.972 54.840 -0.557 0.000 0.772 479 L CB -0.431 41.170 42.059 -0.763 0.000 0.892 479 L HN 0.431 nan 8.230 nan 0.000 0.435 480 F N 0.514 120.272 119.950 -0.320 0.000 2.026 480 F HA -0.292 4.234 4.527 -0.001 0.000 0.296 480 F C 2.626 178.397 175.800 -0.049 0.000 1.133 480 F CA 2.311 60.054 58.000 -0.427 0.000 1.188 480 F CB -0.924 37.717 39.000 -0.598 0.000 0.968 480 F HN 0.098 nan 8.300 nan 0.000 0.476 481 T N 0.193 114.957 114.554 0.351 0.000 2.649 481 T HA -0.273 4.077 4.350 -0.001 0.000 0.268 481 T C 1.490 176.355 174.700 0.274 0.000 1.036 481 T CA 1.915 64.248 62.100 0.387 0.000 1.157 481 T CB -0.532 68.499 68.868 0.272 0.000 0.861 481 T HN 0.238 nan 8.240 nan 0.000 0.445 482 D N -0.189 120.343 120.400 0.219 0.000 2.078 482 D HA -0.106 4.533 4.640 -0.001 0.000 0.193 482 D C 1.972 178.239 176.300 -0.056 0.000 0.990 482 D CA 1.106 55.236 54.000 0.217 0.000 0.827 482 D CB -0.667 40.425 40.800 0.486 0.000 0.975 482 D HN 0.424 nan 8.370 nan 0.000 0.451 483 H N 0.625 119.413 119.070 -0.471 0.000 2.321 483 H HA -0.051 4.505 4.556 -0.001 0.000 0.300 483 H C 1.764 176.631 175.328 -0.768 0.000 1.087 483 H CA 1.379 56.877 56.048 -0.917 0.000 1.319 483 H CB 0.333 29.379 29.762 -1.193 0.000 1.379 483 H HN 0.051 nan 8.280 nan 0.000 0.501 484 Q N -1.157 118.240 119.800 -0.673 0.000 2.311 484 Q HA -0.074 4.265 4.340 -0.001 0.000 0.203 484 Q C 1.836 177.212 176.000 -1.041 0.000 0.954 484 Q CA 0.705 55.809 55.803 -1.165 0.000 0.885 484 Q CB 0.297 27.861 28.738 -1.955 0.000 0.963 484 Q HN 0.621 nan 8.270 nan 0.000 0.471 485 W N -1.358 119.748 121.300 -0.322 0.000 4.332 485 W HA 0.087 4.746 4.660 -0.001 0.000 0.205 485 W C 1.901 178.360 176.519 -0.101 0.000 0.907 485 W CA -0.013 57.219 57.345 -0.189 0.000 2.184 485 W CB -0.383 28.998 29.460 -0.132 0.000 0.933 485 W HN -0.212 nan 8.180 nan 0.000 0.867 486 V N 1.841 121.904 119.914 0.247 0.000 2.252 486 V HA -0.314 3.805 4.120 -0.001 0.000 0.249 486 V C 2.502 178.699 176.094 0.171 0.000 1.056 486 V CA 2.892 65.348 62.300 0.260 0.000 1.022 486 V CB -1.698 30.319 31.823 0.323 0.000 0.641 486 V HN 0.151 nan 8.190 nan 0.000 0.445 487 A N 0.597 123.450 122.820 0.056 0.000 1.865 487 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 487 A C 0.657 178.224 177.584 -0.028 0.000 1.191 487 A CA 2.244 54.291 52.037 0.017 0.000 0.623 487 A CB -1.973 16.979 19.000 -0.080 0.000 0.826 487 A HN 0.555 nan 8.150 nan 0.000 0.444 488 P HA -0.076 nan 4.420 nan 0.000 0.217 488 P C 1.715 179.003 177.300 -0.019 0.000 1.150 488 P CA 1.773 64.800 63.100 -0.121 0.000 0.832 488 P CB -0.089 31.472 31.700 -0.232 0.000 0.787 489 A N -0.399 122.450 122.820 0.047 0.000 1.845 489 A HA -0.172 4.148 4.320 -0.001 0.000 0.215 489 A C 2.327 180.062 177.584 0.251 0.000 1.195 489 A CA 2.074 54.189 52.037 0.130 0.000 0.616 489 A CB -1.748 17.356 19.000 0.173 0.000 0.832 489 A HN 0.000 nan 8.150 nan 0.000 0.443 490 V N 0.184 120.258 119.914 0.266 0.000 2.324 490 V HA -0.310 3.810 4.120 -0.001 0.000 0.250 490 V C 3.067 179.208 176.094 0.078 0.000 1.060 490 V CA 2.116 64.478 62.300 0.104 0.000 1.042 490 V CB -1.514 30.337 31.823 0.047 0.000 0.650 490 V HN 0.652 nan 8.190 nan 0.000 0.450 491 A N -0.237 122.626 122.820 0.070 0.000 1.903 491 A HA -0.313 4.007 4.320 -0.001 0.000 0.219 491 A C 2.407 180.026 177.584 0.058 0.000 1.191 491 A CA 2.936 55.005 52.037 0.053 0.000 0.638 491 A CB -1.188 17.820 19.000 0.014 0.000 0.823 491 A HN 0.514 nan 8.150 nan 0.000 0.451 492 T N 0.042 114.625 114.554 0.048 0.000 2.674 492 T HA -0.020 4.330 4.350 -0.001 0.000 0.265 492 T C 2.266 177.024 174.700 0.098 0.000 1.039 492 T CA 1.881 64.016 62.100 0.058 0.000 1.150 492 T CB -0.593 68.300 68.868 0.041 0.000 0.864 492 T HN 0.656 nan 8.240 nan 0.000 0.427 493 A N 1.653 124.494 122.820 0.036 0.000 1.948 493 A HA -0.204 4.116 4.320 -0.001 0.000 0.220 493 A C 2.038 179.626 177.584 0.005 0.000 1.177 493 A CA 2.243 54.215 52.037 -0.107 0.000 0.636 493 A CB -0.881 17.830 19.000 -0.482 0.000 0.815 493 A HN 0.447 nan 8.150 nan 0.000 0.449 494 D N -0.347 120.112 120.400 0.099 0.000 2.117 494 D HA -0.095 4.544 4.640 -0.001 0.000 0.197 494 D C 1.868 178.279 176.300 0.186 0.000 0.987 494 D CA 1.170 55.301 54.000 0.219 0.000 0.829 494 D CB -0.149 40.756 40.800 0.175 0.000 0.961 494 D HN 0.471 nan 8.370 nan 0.000 0.460 495 L N -0.524 120.809 121.223 0.183 0.000 2.127 495 L HA -0.063 4.276 4.340 -0.001 0.000 0.203 495 L C 2.359 179.483 176.870 0.424 0.000 1.080 495 L CA 0.728 55.722 54.840 0.256 0.000 0.768 495 L CB -0.348 41.866 42.059 0.258 0.000 0.924 495 L HN 0.201 nan 8.230 nan 0.000 0.444 496 H N 0.037 119.274 119.070 0.279 0.000 2.422 496 H HA -0.135 4.421 4.556 -0.001 0.000 0.298 496 H C 2.523 178.070 175.328 0.366 0.000 1.098 496 H CA 1.883 58.135 56.048 0.339 0.000 1.315 496 H CB 0.210 30.030 29.762 0.096 0.000 1.382 496 H HN 0.416 nan 8.280 nan 0.000 0.523 497 S N 0.435 116.360 115.700 0.375 0.000 2.348 497 S HA -0.154 4.316 4.470 -0.001 0.000 0.219 497 S C 1.948 176.665 174.600 0.195 0.000 1.033 497 S CA 1.004 59.370 58.200 0.278 0.000 0.974 497 S CB -0.531 62.836 63.200 0.278 0.000 0.868 497 S HN 0.398 nan 8.310 nan 0.000 0.459 498 N N 0.608 119.375 118.700 0.111 0.000 2.586 498 N HA -0.082 4.657 4.740 -0.001 0.000 0.191 498 N C 0.218 175.597 175.510 -0.219 0.000 1.085 498 N CA 0.875 53.867 53.050 -0.096 0.000 0.921 498 N CB -0.533 37.813 38.487 -0.234 0.000 0.954 498 N HN 0.475 nan 8.380 nan 0.000 0.448 499 F N -1.338 118.698 119.950 0.144 0.000 2.698 499 F HA 0.427 4.953 4.527 -0.001 0.000 0.304 499 F C 1.714 177.549 175.800 0.059 0.000 1.108 499 F CA 0.145 58.180 58.000 0.058 0.000 1.263 499 F CB 0.748 39.726 39.000 -0.036 0.000 1.013 499 F HN 0.091 nan 8.300 nan 0.000 0.532 500 G N -0.539 108.402 108.800 0.236 0.000 2.308 500 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.221 500 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.221 500 G C 0.537 175.558 174.900 0.201 0.000 1.032 500 G CA 0.024 45.230 45.100 0.175 0.000 0.623 500 G HN 0.182 nan 8.290 nan 0.000 0.506 501 S N 3.341 119.228 115.700 0.311 0.000 2.544 501 S HA 0.417 4.887 4.470 -0.001 0.000 0.290 501 S C -2.233 172.509 174.600 0.237 0.000 1.276 501 S CA -0.094 58.305 58.200 0.332 0.000 1.075 501 S CB 1.186 64.729 63.200 0.573 0.000 0.849 501 S HN 0.300 nan 8.310 nan 0.000 0.494 502 P HA 0.229 nan 4.420 nan 0.000 0.276 502 P C -0.695 176.677 177.300 0.119 0.000 1.264 502 P CA 0.002 63.172 63.100 0.117 0.000 0.769 502 P CB 0.588 32.378 31.700 0.151 0.000 0.840 503 T N 3.555 118.109 114.554 -0.000 0.000 2.885 503 T HA 0.542 4.892 4.350 -0.001 0.000 0.285 503 T C -0.898 173.688 174.700 -0.191 0.000 1.019 503 T CA -0.228 61.878 62.100 0.011 0.000 1.010 503 T CB 0.705 69.625 68.868 0.086 0.000 1.022 503 T HN 0.100 nan 8.240 nan 0.000 0.466 504 Y N 0.972 121.254 120.300 -0.030 0.000 2.406 504 Y HA 0.649 5.199 4.550 -0.001 0.000 0.340 504 Y C -0.779 175.247 175.900 0.210 0.000 0.975 504 Y CA -1.249 56.829 58.100 -0.037 0.000 1.056 504 Y CB 1.571 39.582 38.460 -0.748 0.000 1.210 504 Y HN 0.640 nan 8.280 nan 0.000 0.448 505 F N 4.706 125.003 119.950 0.579 0.000 2.508 505 F HA 0.668 5.195 4.527 -0.001 0.000 0.325 505 F C -1.256 174.945 175.800 0.669 0.000 1.090 505 F CA -1.365 56.900 58.000 0.441 0.000 0.945 505 F CB 1.172 40.328 39.000 0.261 0.000 1.156 505 F HN 0.430 nan 8.300 nan 0.000 0.463 506 Y N 2.423 122.918 120.300 0.324 0.000 2.553 506 Y HA 0.882 5.431 4.550 -0.001 0.000 0.347 506 Y C -1.718 174.236 175.900 0.090 0.000 1.019 506 Y CA -1.691 56.545 58.100 0.227 0.000 1.032 506 Y CB 1.159 39.669 38.460 0.083 0.000 1.284 506 Y HN 0.771 nan 8.280 nan 0.000 0.466 507 A N 3.247 126.192 122.820 0.208 0.000 2.330 507 A HA 0.655 4.974 4.320 -0.001 0.000 0.313 507 A C -2.168 175.548 177.584 0.220 0.000 1.124 507 A CA -0.523 51.481 52.037 -0.055 0.000 0.774 507 A CB 0.507 19.341 19.000 -0.276 0.000 1.198 507 A HN 0.694 nan 8.150 nan 0.000 0.465 508 F N 2.850 122.801 119.950 0.001 0.000 2.371 508 F HA 0.527 5.053 4.527 -0.001 0.000 0.363 508 F C -0.944 174.775 175.800 -0.135 0.000 1.122 508 F CA -0.595 57.418 58.000 0.022 0.000 1.129 508 F CB 0.690 39.745 39.000 0.091 0.000 1.173 508 F HN 0.537 nan 8.300 nan 0.000 0.489 509 Y N 5.236 125.265 120.300 -0.452 0.000 2.726 509 Y HA 0.323 4.873 4.550 -0.001 0.000 0.367 509 Y C -0.597 175.160 175.900 -0.238 0.000 1.038 509 Y CA -0.626 57.323 58.100 -0.252 0.000 1.174 509 Y CB -0.023 38.378 38.460 -0.099 0.000 1.265 509 Y HN 0.628 nan 8.280 nan 0.000 0.622 510 H N 0.688 119.485 119.070 -0.454 0.000 3.141 510 H HA 0.275 4.831 4.556 -0.001 0.000 0.309 510 H C -1.414 173.785 175.328 -0.214 0.000 1.083 510 H CA -0.815 55.047 56.048 -0.309 0.000 1.466 510 H CB 0.673 30.151 29.762 -0.473 0.000 2.095 510 H HN 0.426 nan 8.280 nan 0.000 0.467 511 H N 2.085 120.824 119.070 -0.551 0.000 2.908 511 H HA 0.518 5.073 4.556 -0.001 0.000 0.350 511 H C -0.764 174.464 175.328 -0.167 0.000 1.217 511 H CA -1.124 54.801 56.048 -0.206 0.000 1.168 511 H CB 0.935 30.657 29.762 -0.066 0.000 1.891 511 H HN 0.581 nan 8.280 nan 0.000 0.566 512 c N 1.738 120.393 118.600 0.092 0.000 2.347 512 c HA 0.200 4.770 4.570 -0.001 0.000 0.353 512 c C 0.243 174.244 174.090 -0.148 0.000 1.273 512 c CA -0.167 56.183 56.329 0.035 0.000 1.861 512 c CB -0.504 42.138 42.510 0.220 0.000 2.420 512 c HN 0.743 nan 8.230 nan 0.000 0.542 513 Q N 3.896 123.548 119.800 -0.247 0.000 2.361 513 Q HA 0.408 4.748 4.340 -0.001 0.000 0.250 513 Q C 0.454 176.387 176.000 -0.112 0.000 1.023 513 Q CA 0.356 56.040 55.803 -0.198 0.000 0.915 513 Q CB 0.718 29.331 28.738 -0.209 0.000 1.238 513 Q HN 0.934 nan 8.270 nan 0.000 0.451 514 T N -0.309 114.205 114.554 -0.067 0.000 2.768 514 T HA 0.456 4.805 4.350 -0.001 0.000 0.268 514 T C 0.261 174.932 174.700 -0.048 0.000 0.969 514 T CA 0.121 62.181 62.100 -0.066 0.000 1.008 514 T CB 0.664 69.499 68.868 -0.055 0.000 1.371 514 T HN 0.538 nan 8.240 nan 0.000 0.587 515 D N -1.282 119.093 120.400 -0.042 0.000 2.379 515 D HA 0.112 4.751 4.640 -0.001 0.000 0.208 515 D C 1.766 178.049 176.300 -0.029 0.000 1.065 515 D CA -0.075 53.905 54.000 -0.033 0.000 0.848 515 D CB 0.069 40.852 40.800 -0.027 0.000 0.949 515 D HN 0.245 nan 8.370 nan 0.000 0.509 516 Q N 0.475 120.259 119.800 -0.027 0.000 2.269 516 Q HA 0.082 4.421 4.340 -0.001 0.000 0.201 516 Q C 0.668 176.647 176.000 -0.034 0.000 0.946 516 Q CA 0.548 56.339 55.803 -0.020 0.000 0.877 516 Q CB 0.621 29.353 28.738 -0.010 0.000 0.963 516 Q HN 0.469 nan 8.270 nan 0.000 0.472 517 V N -0.419 119.466 119.914 -0.048 0.000 2.398 517 V HA 0.488 4.607 4.120 -0.001 0.000 0.286 517 V C -2.520 173.462 176.094 -0.185 0.000 1.026 517 V CA -2.618 59.618 62.300 -0.105 0.000 0.868 517 V CB 1.028 32.817 31.823 -0.058 0.000 0.982 517 V HN -0.115 nan 8.190 nan 0.000 0.443 518 P HA 0.121 nan 4.420 nan 0.000 0.270 518 P C 0.875 177.889 177.300 -0.477 0.000 1.216 518 P CA 0.740 63.553 63.100 -0.478 0.000 0.788 518 P CB 0.647 31.774 31.700 -0.955 0.000 0.883 519 A N 2.354 124.999 122.820 -0.292 0.000 1.929 519 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 519 A C 1.719 179.254 177.584 -0.081 0.000 1.176 519 A CA 1.010 52.983 52.037 -0.108 0.000 0.628 519 A CB -1.303 17.709 19.000 0.020 0.000 0.816 519 A HN 0.841 nan 8.150 nan 0.000 0.444 520 W N -0.486 120.850 121.300 0.059 0.000 2.825 520 W HA 0.458 5.118 4.660 -0.001 0.000 0.243 520 W C 0.552 177.095 176.519 0.039 0.000 1.293 520 W CA -0.050 57.325 57.345 0.051 0.000 1.403 520 W CB -0.935 28.547 29.460 0.037 0.000 1.134 520 W HN 0.362 nan 8.180 nan 0.000 0.666 521 A N 1.928 124.412 122.820 -0.559 0.000 2.272 521 A HA 0.360 4.679 4.320 -0.001 0.000 0.275 521 A C 0.075 177.468 177.584 -0.319 0.000 1.096 521 A CA -0.002 51.736 52.037 -0.499 0.000 0.822 521 A CB 0.565 19.102 19.000 -0.771 0.000 1.088 521 A HN 0.213 nan 8.150 nan 0.000 0.495 522 D N -1.003 119.173 120.400 -0.374 0.000 2.801 522 D HA 0.491 5.131 4.640 -0.001 0.000 0.277 522 D C -0.193 175.697 176.300 -0.684 0.000 1.125 522 D CA -0.112 53.565 54.000 -0.539 0.000 1.102 522 D CB 1.101 41.808 40.800 -0.154 0.000 1.400 522 D HN 0.704 nan 8.370 nan 0.000 0.601 523 A N 0.274 122.832 122.820 -0.437 0.000 2.524 523 A HA 0.410 4.730 4.320 -0.001 0.000 0.271 523 A C 0.293 177.788 177.584 -0.148 0.000 1.097 523 A CA 0.360 52.281 52.037 -0.194 0.000 0.791 523 A CB -0.766 18.198 19.000 -0.061 0.000 1.028 523 A HN 0.508 nan 8.150 nan 0.000 0.518 524 A N 2.482 125.241 122.820 -0.101 0.000 2.242 524 A HA 0.551 4.871 4.320 -0.001 0.000 0.304 524 A C 0.324 177.898 177.584 -0.016 0.000 1.100 524 A CA -0.583 51.411 52.037 -0.072 0.000 0.860 524 A CB -0.063 18.908 19.000 -0.048 0.000 1.168 524 A HN 1.032 nan 8.150 nan 0.000 0.503 525 H N -0.443 118.500 119.070 -0.212 0.000 3.217 525 H HA 0.309 4.864 4.556 -0.001 0.000 0.272 525 H C 1.333 176.643 175.328 -0.030 0.000 0.929 525 H CA 1.246 57.152 56.048 -0.236 0.000 1.425 525 H CB -0.300 29.288 29.762 -0.290 0.000 1.505 525 H HN 1.451 nan 8.280 nan 0.000 0.542 526 G N 4.581 113.384 108.800 0.005 0.000 2.194 526 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.236 526 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.236 526 G C 1.130 176.250 174.900 0.366 0.000 0.987 526 G CA 0.271 45.457 45.100 0.143 0.000 0.635 526 G HN 0.623 nan 8.290 nan 0.000 0.520 527 D N 0.988 121.556 120.400 0.281 0.000 2.384 527 D HA -0.042 4.597 4.640 -0.001 0.000 0.222 527 D C 2.355 178.815 176.300 0.267 0.000 0.976 527 D CA 1.253 55.460 54.000 0.344 0.000 0.915 527 D CB 0.111 41.095 40.800 0.307 0.000 0.896 527 D HN 0.780 nan 8.370 nan 0.000 0.523 528 E N 0.764 120.979 120.200 0.025 0.000 2.250 528 E HA -0.077 4.273 4.350 -0.001 0.000 0.192 528 E C 2.109 178.595 176.600 -0.191 0.000 0.986 528 E CA 0.325 56.477 56.400 -0.413 0.000 0.849 528 E CB -0.533 28.680 29.700 -0.813 0.000 0.797 528 E HN 0.047 nan 8.360 nan 0.000 0.482 529 V N 3.157 123.055 119.914 -0.027 0.000 2.278 529 V HA -0.206 3.913 4.120 -0.001 0.000 0.251 529 V C -0.217 175.682 176.094 -0.326 0.000 1.062 529 V CA 2.628 64.876 62.300 -0.087 0.000 1.038 529 V CB -1.842 30.049 31.823 0.114 0.000 0.646 529 V HN 0.322 nan 8.190 nan 0.000 0.447 530 P HA -0.150 nan 4.420 nan 0.000 0.226 530 P C 1.183 178.127 177.300 -0.592 0.000 1.153 530 P CA 1.588 64.172 63.100 -0.859 0.000 0.777 530 P CB -0.090 31.044 31.700 -0.943 0.000 0.794 531 Y N -0.943 119.111 120.300 -0.411 0.000 2.448 531 Y HA 0.001 4.551 4.550 -0.001 0.000 0.289 531 Y C 2.480 178.114 175.900 -0.444 0.000 1.114 531 Y CA 0.138 58.024 58.100 -0.357 0.000 1.235 531 Y CB -0.343 38.020 38.460 -0.161 0.000 1.045 531 Y HN -0.275 nan 8.280 nan 0.000 0.554 532 V N 0.121 119.815 119.914 -0.367 0.000 2.951 532 V HA -0.159 3.960 4.120 -0.001 0.000 0.255 532 V C 1.525 177.420 176.094 -0.331 0.000 1.088 532 V CA 1.241 63.237 62.300 -0.506 0.000 1.109 532 V CB -0.190 31.277 31.823 -0.593 0.000 0.724 532 V HN 0.407 nan 8.190 nan 0.000 0.471 533 L N 0.266 121.278 121.223 -0.351 0.000 2.607 533 L HA 0.340 4.680 4.340 -0.001 0.000 0.228 533 L C 1.706 178.380 176.870 -0.326 0.000 1.123 533 L CA 0.739 55.391 54.840 -0.313 0.000 0.890 533 L CB -0.415 41.428 42.059 -0.361 0.000 1.103 533 L HN 0.503 nan 8.230 nan 0.000 0.468 534 G N 0.646 109.220 108.800 -0.377 0.000 2.203 534 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.263 534 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.263 534 G C 0.972 175.587 174.900 -0.473 0.000 1.012 534 G CA 0.314 45.174 45.100 -0.399 0.000 0.749 534 G HN 0.220 nan 8.290 nan 0.000 0.512 535 I N 0.953 121.165 120.570 -0.598 0.000 2.151 535 I HA -0.148 4.022 4.170 -0.001 0.000 0.243 535 I C 0.598 176.261 176.117 -0.757 0.000 1.080 535 I CA 2.100 63.026 61.300 -0.624 0.000 1.339 535 I CB -1.954 35.586 38.000 -0.766 0.000 1.039 535 I HN 0.144 nan 8.210 nan 0.000 0.409 536 P HA -0.176 nan 4.420 nan 0.000 0.217 536 P C 1.979 178.975 177.300 -0.507 0.000 1.148 536 P CA 1.533 63.958 63.100 -1.126 0.000 0.834 536 P CB -0.133 30.943 31.700 -1.040 0.000 0.783 537 M N -1.378 117.966 119.600 -0.427 0.000 2.630 537 M HA 0.002 4.482 4.480 -0.001 0.000 0.254 537 M C 1.335 177.525 176.300 -0.184 0.000 1.092 537 M CA 1.205 56.338 55.300 -0.278 0.000 1.087 537 M CB -0.435 31.986 32.600 -0.297 0.000 1.453 537 M HN 0.063 nan 8.290 nan 0.000 0.509 538 I N -3.411 117.050 120.570 -0.183 0.000 3.817 538 I HA 0.519 4.689 4.170 -0.001 0.000 0.325 538 I C 0.549 176.644 176.117 -0.037 0.000 1.550 538 I CA -0.579 60.665 61.300 -0.093 0.000 1.100 538 I CB -0.244 37.709 38.000 -0.079 0.000 1.216 538 I HN 0.185 nan 8.210 nan 0.000 0.481 539 G N 2.470 111.257 108.800 -0.022 0.000 2.953 539 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.421 539 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.421 539 G C -2.606 172.417 174.900 0.206 0.000 1.531 539 G CA -0.829 44.337 45.100 0.109 0.000 0.971 539 G HN 0.324 nan 8.290 nan 0.000 0.558 540 P HA 0.226 nan 4.420 nan 0.000 0.267 540 P C 0.644 178.037 177.300 0.155 0.000 1.175 540 P CA 1.284 64.510 63.100 0.208 0.000 0.763 540 P CB 0.481 32.202 31.700 0.035 0.000 0.795 541 T N -2.027 112.632 114.554 0.175 0.000 2.887 541 T HA 0.285 4.634 4.350 -0.001 0.000 0.292 541 T C 0.989 175.742 174.700 0.089 0.000 1.087 541 T CA -0.725 61.452 62.100 0.128 0.000 1.009 541 T CB 1.523 70.489 68.868 0.163 0.000 1.203 541 T HN 0.401 nan 8.240 nan 0.000 0.518 542 E N -0.364 119.874 120.200 0.062 0.000 2.118 542 E HA -0.151 4.198 4.350 -0.001 0.000 0.195 542 E C 1.602 178.205 176.600 0.005 0.000 0.992 542 E CA 1.141 57.559 56.400 0.029 0.000 0.804 542 E CB -0.068 29.647 29.700 0.026 0.000 0.741 542 E HN 0.543 nan 8.360 nan 0.000 0.458 543 L N -0.242 120.984 121.223 0.004 0.000 2.034 543 L HA 0.028 4.368 4.340 -0.001 0.000 0.203 543 L C 0.380 177.020 176.870 -0.383 0.000 1.074 543 L CA 1.490 56.213 54.840 -0.195 0.000 0.748 543 L CB -0.112 41.789 42.059 -0.262 0.000 0.905 543 L HN 0.022 nan 8.230 nan 0.000 0.439 544 F N 1.469 121.396 119.950 -0.037 0.000 2.359 544 F HA 0.326 4.853 4.527 -0.001 0.000 0.355 544 F C -1.321 174.477 175.800 -0.003 0.000 1.132 544 F CA -1.923 56.078 58.000 0.002 0.000 1.246 544 F CB 0.119 39.153 39.000 0.056 0.000 1.569 544 F HN 0.091 nan 8.300 nan 0.000 0.561 545 P HA -0.190 nan 4.420 nan 0.000 0.216 545 P C 1.005 178.204 177.300 -0.169 0.000 1.153 545 P CA 0.594 63.669 63.100 -0.042 0.000 0.848 545 P CB 0.050 31.721 31.700 -0.048 0.000 0.787 546 c N 2.094 120.535 118.600 -0.266 0.000 2.133 546 c HA -0.093 4.476 4.570 -0.001 0.000 0.391 546 c C 0.827 174.483 174.090 -0.723 0.000 1.507 546 c CA 0.086 56.121 56.329 -0.491 0.000 1.498 546 c CB -1.750 40.408 42.510 -0.588 0.000 2.583 546 c HN 0.245 nan 8.230 nan 0.000 0.570 547 N N 5.812 124.247 118.700 -0.441 0.000 2.968 547 N HA 0.261 5.000 4.740 -0.001 0.000 0.271 547 N C -0.551 174.812 175.510 -0.244 0.000 1.174 547 N CA -0.035 52.843 53.050 -0.286 0.000 1.096 547 N CB -0.292 38.113 38.487 -0.137 0.000 1.403 547 N HN 0.508 nan 8.380 nan 0.000 0.522 548 F N 0.586 120.515 119.950 -0.035 0.000 2.579 548 F HA -0.110 4.416 4.527 -0.001 0.000 0.397 548 F C 1.825 177.605 175.800 -0.032 0.000 1.027 548 F CA -0.194 57.778 58.000 -0.048 0.000 1.217 548 F CB -0.221 38.715 39.000 -0.106 0.000 0.986 548 F HN 0.197 nan 8.300 nan 0.000 0.551 549 S N 3.070 118.874 115.700 0.173 0.000 2.661 549 S HA 0.304 4.774 4.470 -0.001 0.000 0.265 549 S C 1.069 175.720 174.600 0.086 0.000 1.225 549 S CA -0.779 57.482 58.200 0.101 0.000 0.986 549 S CB 1.028 64.282 63.200 0.091 0.000 1.008 549 S HN 0.651 nan 8.310 nan 0.000 0.565 550 K N 0.514 120.944 120.400 0.050 0.000 2.211 550 K HA -0.033 4.287 4.320 -0.001 0.000 0.203 550 K C 1.861 178.471 176.600 0.018 0.000 1.050 550 K CA 1.071 57.371 56.287 0.022 0.000 0.945 550 K CB -0.332 32.176 32.500 0.012 0.000 0.732 550 K HN 0.471 nan 8.250 nan 0.000 0.451 551 N N 1.455 120.182 118.700 0.045 0.000 2.106 551 N HA -0.138 4.601 4.740 -0.001 0.000 0.188 551 N C 1.277 176.817 175.510 0.049 0.000 1.029 551 N CA 1.210 54.281 53.050 0.035 0.000 0.848 551 N CB -0.216 38.307 38.487 0.061 0.000 1.007 551 N HN 0.193 nan 8.380 nan 0.000 0.423 552 D N 0.902 121.391 120.400 0.148 0.000 2.116 552 D HA -0.107 4.532 4.640 -0.001 0.000 0.193 552 D C 2.061 178.321 176.300 -0.067 0.000 0.998 552 D CA 0.812 54.928 54.000 0.194 0.000 0.836 552 D CB -0.246 40.727 40.800 0.288 0.000 0.951 552 D HN 0.048 nan 8.370 nan 0.000 0.449 553 V N 1.517 121.365 119.914 -0.110 0.000 2.515 553 V HA -0.191 3.928 4.120 -0.001 0.000 0.250 553 V C 2.303 178.297 176.094 -0.166 0.000 1.058 553 V CA 0.981 63.156 62.300 -0.208 0.000 1.064 553 V CB -0.351 31.373 31.823 -0.164 0.000 0.675 553 V HN 0.230 nan 8.190 nan 0.000 0.461 554 M N -0.133 119.412 119.600 -0.090 0.000 2.064 554 M HA -0.113 4.366 4.480 -0.001 0.000 0.260 554 M C 2.209 178.473 176.300 -0.060 0.000 1.073 554 M CA 1.997 57.253 55.300 -0.073 0.000 1.124 554 M CB -0.761 31.814 32.600 -0.041 0.000 1.326 554 M HN 0.303 nan 8.290 nan 0.000 0.410 555 L N 0.012 121.218 121.223 -0.029 0.000 2.191 555 L HA -0.176 4.164 4.340 -0.001 0.000 0.212 555 L C 2.407 179.326 176.870 0.082 0.000 1.103 555 L CA 1.981 56.831 54.840 0.018 0.000 0.769 555 L CB -0.690 41.346 42.059 -0.038 0.000 0.908 555 L HN 0.472 nan 8.230 nan 0.000 0.438 556 S N -0.400 115.307 115.700 0.010 0.000 2.382 556 S HA -0.145 4.325 4.470 -0.001 0.000 0.228 556 S C 2.102 176.603 174.600 -0.166 0.000 1.027 556 S CA 1.262 59.400 58.200 -0.105 0.000 0.991 556 S CB -0.042 62.932 63.200 -0.377 0.000 0.823 556 S HN 0.603 nan 8.310 nan 0.000 0.469 557 A N 0.850 123.544 122.820 -0.210 0.000 1.898 557 A HA 0.044 4.364 4.320 -0.001 0.000 0.216 557 A C 2.308 179.887 177.584 -0.009 0.000 1.181 557 A CA 1.611 53.499 52.037 -0.247 0.000 0.620 557 A CB -1.008 17.830 19.000 -0.270 0.000 0.819 557 A HN 0.464 nan 8.150 nan 0.000 0.442 558 V N -0.258 119.656 119.914 0.000 0.000 2.332 558 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 558 V C 2.510 178.668 176.094 0.107 0.000 1.055 558 V CA 2.067 64.376 62.300 0.015 0.000 1.038 558 V CB -1.047 30.817 31.823 0.068 0.000 0.651 558 V HN 0.353 nan 8.190 nan 0.000 0.450 559 V N -0.547 119.468 119.914 0.167 0.000 2.270 559 V HA -0.284 3.835 4.120 -0.001 0.000 0.245 559 V C 2.450 178.662 176.094 0.197 0.000 1.043 559 V CA 2.367 64.788 62.300 0.201 0.000 1.014 559 V CB -0.543 31.217 31.823 -0.106 0.000 0.645 559 V HN 0.422 nan 8.190 nan 0.000 0.447 560 M N -0.288 119.356 119.600 0.073 0.000 2.106 560 M HA -0.207 4.273 4.480 -0.001 0.000 0.259 560 M C 2.226 178.691 176.300 0.275 0.000 1.068 560 M CA 2.209 57.604 55.300 0.158 0.000 1.100 560 M CB -1.024 31.694 32.600 0.198 0.000 1.351 560 M HN 0.388 nan 8.290 nan 0.000 0.404 561 T N -0.322 114.380 114.554 0.245 0.000 2.833 561 T HA -0.152 4.197 4.350 -0.001 0.000 0.269 561 T C 1.430 176.203 174.700 0.121 0.000 1.054 561 T CA 1.237 63.399 62.100 0.104 0.000 1.135 561 T CB -0.303 68.560 68.868 -0.007 0.000 0.869 561 T HN 0.271 nan 8.240 nan 0.000 0.466 562 Y N -0.164 120.320 120.300 0.307 0.000 2.114 562 Y HA 0.029 4.579 4.550 -0.001 0.000 0.284 562 Y C 2.441 178.507 175.900 0.277 0.000 1.119 562 Y CA 0.097 58.396 58.100 0.331 0.000 1.108 562 Y CB -0.766 38.043 38.460 0.581 0.000 0.995 562 Y HN 0.225 nan 8.280 nan 0.000 0.491 563 W N 0.831 122.249 121.300 0.197 0.000 2.290 563 W HA -0.338 4.321 4.660 -0.001 0.000 0.318 563 W C 2.580 179.124 176.519 0.042 0.000 1.248 563 W CA 2.586 59.962 57.345 0.053 0.000 1.263 563 W CB -0.875 28.574 29.460 -0.019 0.000 1.147 563 W HN 0.289 nan 8.180 nan 0.000 0.494 564 T N -1.885 112.821 114.554 0.253 0.000 2.737 564 T HA -0.181 4.169 4.350 -0.001 0.000 0.265 564 T C 1.469 176.197 174.700 0.046 0.000 1.038 564 T CA 1.513 63.669 62.100 0.093 0.000 1.144 564 T CB -0.782 68.111 68.868 0.043 0.000 0.866 564 T HN -0.089 nan 8.240 nan 0.000 0.434 565 N N 1.096 119.837 118.700 0.068 0.000 2.061 565 N HA -0.058 4.682 4.740 -0.001 0.000 0.193 565 N C 1.343 176.849 175.510 -0.006 0.000 1.030 565 N CA 1.308 54.373 53.050 0.025 0.000 0.856 565 N CB -0.856 37.664 38.487 0.056 0.000 1.023 565 N HN 0.469 nan 8.380 nan 0.000 0.424 566 F N 1.415 121.276 119.950 -0.148 0.000 2.069 566 F HA -0.169 4.357 4.527 -0.001 0.000 0.298 566 F C 2.173 177.865 175.800 -0.180 0.000 1.113 566 F CA 1.666 59.511 58.000 -0.258 0.000 1.214 566 F CB -0.763 37.985 39.000 -0.419 0.000 0.978 566 F HN 0.067 nan 8.300 nan 0.000 0.474 567 A N -0.179 122.552 122.820 -0.150 0.000 1.978 567 A HA -0.213 4.106 4.320 -0.001 0.000 0.220 567 A C 2.226 179.696 177.584 -0.189 0.000 1.170 567 A CA 1.940 53.859 52.037 -0.196 0.000 0.636 567 A CB -0.654 18.291 19.000 -0.092 0.000 0.810 567 A HN 0.522 nan 8.150 nan 0.000 0.448 568 K N -1.363 118.951 120.400 -0.144 0.000 2.005 568 K HA -0.061 4.258 4.320 -0.001 0.000 0.206 568 K C 2.126 178.644 176.600 -0.138 0.000 1.044 568 K CA 1.782 58.002 56.287 -0.111 0.000 0.942 568 K CB -0.162 32.294 32.500 -0.073 0.000 0.727 568 K HN 0.651 nan 8.250 nan 0.000 0.439 569 T N -4.206 110.248 114.554 -0.166 0.000 2.959 569 T HA 0.227 4.577 4.350 -0.001 0.000 0.254 569 T C 1.128 175.694 174.700 -0.224 0.000 1.003 569 T CA 0.470 62.478 62.100 -0.153 0.000 0.950 569 T CB 1.067 69.882 68.868 -0.088 0.000 1.090 569 T HN 0.325 nan 8.240 nan 0.000 0.503 570 G N 1.251 109.798 108.800 -0.423 0.000 2.130 570 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.216 570 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.216 570 G C -0.445 174.330 174.900 -0.208 0.000 0.999 570 G CA 0.058 44.824 45.100 -0.557 0.000 0.686 570 G HN 0.844 nan 8.290 nan 0.000 0.515 571 D N -0.673 119.623 120.400 -0.173 0.000 2.764 571 D HA 0.399 5.039 4.640 -0.001 0.000 0.227 571 D C -1.358 174.848 176.300 -0.157 0.000 1.347 571 D CA -1.366 52.548 54.000 -0.143 0.000 0.953 571 D CB 2.007 42.816 40.800 0.014 0.000 1.476 571 D HN -0.026 nan 8.370 nan 0.000 0.585 572 P HA -0.062 nan 4.420 nan 0.000 0.231 572 P C 0.198 177.625 177.300 0.212 0.000 1.158 572 P CA 0.780 63.827 63.100 -0.089 0.000 0.763 572 P CB 0.365 31.765 31.700 -0.501 0.000 0.805 573 N N -1.669 117.103 118.700 0.119 0.000 2.322 573 N HA 0.025 4.765 4.740 -0.001 0.000 0.181 573 N C 0.484 176.046 175.510 0.087 0.000 1.088 573 N CA 0.009 53.163 53.050 0.172 0.000 0.885 573 N CB 0.169 38.777 38.487 0.202 0.000 1.013 573 N HN 0.079 nan 8.380 nan 0.000 0.472 574 Q N 0.201 120.029 119.800 0.046 0.000 2.309 574 Q HA 0.273 4.612 4.340 -0.001 0.000 0.264 574 Q C -1.928 174.069 176.000 -0.005 0.000 1.008 574 Q CA -1.895 53.920 55.803 0.019 0.000 0.853 574 Q CB 2.204 30.950 28.738 0.014 0.000 1.314 574 Q HN 0.057 nan 8.270 nan 0.000 0.448 575 P HA -0.001 nan 4.420 nan 0.000 0.221 575 P C 0.667 177.961 177.300 -0.011 0.000 1.152 575 P CA 0.272 63.366 63.100 -0.010 0.000 0.851 575 P CB 0.633 32.321 31.700 -0.020 0.000 0.833 593 V N -0.554 119.428 119.914 0.112 0.000 2.525 593 V HA 0.964 5.084 4.120 -0.001 0.000 0.299 593 V C -0.346 175.880 176.094 0.221 0.000 1.034 593 V CA -0.953 61.432 62.300 0.143 0.000 0.863 593 V CB 1.667 33.574 31.823 0.140 0.000 0.999 593 V HN 0.228 nan 8.190 nan 0.000 0.423 594 A N 4.993 127.936 122.820 0.205 0.000 2.260 594 A HA 0.584 4.903 4.320 -0.001 0.000 0.314 594 A C -0.559 177.230 177.584 0.340 0.000 1.257 594 A CA -0.468 51.731 52.037 0.269 0.000 0.871 594 A CB 0.684 19.804 19.000 0.200 0.000 1.166 594 A HN 1.121 nan 8.150 nan 0.000 0.522 595 W N 5.338 126.757 121.300 0.198 0.000 2.351 595 W HA 0.236 4.896 4.660 -0.001 0.000 0.421 595 W C -0.301 176.381 176.519 0.272 0.000 1.000 595 W CA -0.258 57.188 57.345 0.170 0.000 1.610 595 W CB -0.579 28.912 29.460 0.051 0.000 1.700 595 W HN 0.683 nan 8.180 nan 0.000 0.351 596 T N 5.665 120.517 114.554 0.497 0.000 2.795 596 T HA 0.136 4.485 4.350 -0.001 0.000 0.314 596 T C 0.824 175.695 174.700 0.284 0.000 1.069 596 T CA -0.225 62.066 62.100 0.320 0.000 1.071 596 T CB 0.820 69.793 68.868 0.175 0.000 0.988 596 T HN 0.123 nan 8.240 nan 0.000 0.543 597 R N 0.444 120.960 120.500 0.027 0.000 2.539 597 R HA 0.168 4.507 4.340 -0.001 0.000 0.275 597 R C -0.600 175.672 176.300 -0.048 0.000 1.077 597 R CA -0.391 55.557 56.100 -0.253 0.000 1.097 597 R CB 0.410 30.514 30.300 -0.328 0.000 1.018 597 R HN 0.616 nan 8.270 nan 0.000 0.483 598 Y N 1.579 121.798 120.300 -0.134 0.000 2.336 598 Y HA 0.101 4.650 4.550 -0.001 0.000 0.335 598 Y C -0.223 175.670 175.900 -0.011 0.000 1.046 598 Y CA -0.088 58.020 58.100 0.013 0.000 1.198 598 Y CB 0.721 39.255 38.460 0.123 0.000 1.182 598 Y HN 0.585 nan 8.280 nan 0.000 0.502 599 S N 3.730 119.312 115.700 -0.197 0.000 2.570 599 S HA 0.232 4.701 4.470 -0.001 0.000 0.286 599 S C 0.423 174.917 174.600 -0.175 0.000 1.099 599 S CA -0.903 57.267 58.200 -0.049 0.000 0.913 599 S CB 1.923 65.084 63.200 -0.067 0.000 1.085 599 S HN 0.847 nan 8.310 nan 0.000 0.480 600 Q N 1.140 120.960 119.800 0.033 0.000 2.170 600 Q HA -0.101 4.239 4.340 -0.001 0.000 0.203 600 Q C 1.864 177.859 176.000 -0.009 0.000 0.976 600 Q CA 1.582 57.419 55.803 0.058 0.000 0.858 600 Q CB -0.137 28.660 28.738 0.099 0.000 0.907 600 Q HN 0.809 nan 8.270 nan 0.000 0.433 601 K N -0.670 119.713 120.400 -0.028 0.000 2.217 601 K HA -0.123 4.196 4.320 -0.001 0.000 0.202 601 K C 0.474 177.069 176.600 -0.008 0.000 1.051 601 K CA 1.576 57.863 56.287 -0.000 0.000 0.952 601 K CB 0.364 32.862 32.500 -0.004 0.000 0.736 601 K HN 0.232 nan 8.250 nan 0.000 0.453 602 D N -0.255 120.052 120.400 -0.155 0.000 2.480 602 D HA -0.008 4.632 4.640 -0.001 0.000 0.243 602 D C -0.439 175.503 176.300 -0.597 0.000 1.120 602 D CA 0.070 53.898 54.000 -0.287 0.000 0.835 602 D CB 0.596 41.279 40.800 -0.194 0.000 1.204 602 D HN 0.133 nan 8.370 nan 0.000 0.513 603 Q N 1.078 120.489 119.800 -0.647 0.000 2.423 603 Q HA -0.177 4.163 4.340 -0.001 0.000 0.332 603 Q C -0.390 175.304 176.000 -0.511 0.000 1.355 603 Q CA 0.298 55.519 55.803 -0.971 0.000 0.947 603 Q CB -1.578 26.859 28.738 -0.501 0.000 1.189 603 Q HN 0.396 nan 8.270 nan 0.000 0.418 604 L N 1.866 122.879 121.223 -0.351 0.000 2.360 604 L HA 0.304 4.643 4.340 -0.001 0.000 0.276 604 L C 0.248 177.273 176.870 0.258 0.000 1.121 604 L CA -0.320 54.493 54.840 -0.044 0.000 0.845 604 L CB -0.082 41.960 42.059 -0.028 0.000 1.143 604 L HN 0.236 nan 8.230 nan 0.000 0.452 605 Y N 2.440 122.843 120.300 0.172 0.000 2.536 605 Y HA 0.648 5.198 4.550 -0.001 0.000 0.347 605 Y C -0.994 174.977 175.900 0.118 0.000 1.000 605 Y CA -1.931 56.357 58.100 0.314 0.000 1.051 605 Y CB 1.299 39.976 38.460 0.362 0.000 1.259 605 Y HN 0.337 nan 8.280 nan 0.000 0.468 606 L N 4.374 125.535 121.223 -0.103 0.000 2.260 606 L HA 0.288 4.627 4.340 -0.001 0.000 0.289 606 L C -0.315 176.463 176.870 -0.153 0.000 1.057 606 L CA -0.193 54.360 54.840 -0.478 0.000 0.811 606 L CB 0.073 41.292 42.059 -1.400 0.000 1.184 606 L HN 0.875 nan 8.230 nan 0.000 0.429 607 H N 7.043 125.995 119.070 -0.196 0.000 3.109 607 H HA 0.203 4.758 4.556 -0.001 0.000 0.266 607 H C -0.449 174.886 175.328 0.012 0.000 1.334 607 H CA -0.206 55.864 56.048 0.036 0.000 1.456 607 H CB 0.022 29.761 29.762 -0.038 0.000 1.587 607 H HN 0.594 nan 8.280 nan 0.000 0.500 608 I N 5.144 125.715 120.570 0.002 0.000 2.436 608 I HA 0.173 4.343 4.170 -0.001 0.000 0.289 608 I C 1.090 177.153 176.117 -0.090 0.000 1.083 608 I CA 0.458 61.770 61.300 0.020 0.000 1.372 608 I CB 0.813 38.918 38.000 0.174 0.000 1.408 608 I HN 0.631 nan 8.210 nan 0.000 0.516 609 G N 4.803 113.583 108.800 -0.033 0.000 2.694 609 G HA2 0.323 4.283 3.960 -0.001 0.000 0.246 609 G HA3 0.323 4.283 3.960 -0.001 0.000 0.246 609 G C 0.070 174.911 174.900 -0.098 0.000 1.205 609 G CA -0.600 44.457 45.100 -0.071 0.000 0.891 609 G HN 0.404 nan 8.290 nan 0.000 0.515 610 L N -0.450 120.738 121.223 -0.059 0.000 2.492 610 L HA 0.218 4.557 4.340 -0.001 0.000 0.223 610 L C 0.606 177.466 176.870 -0.016 0.000 1.132 610 L CA 0.862 55.653 54.840 -0.081 0.000 0.850 610 L CB 0.012 42.052 42.059 -0.032 0.000 0.966 610 L HN 0.206 nan 8.230 nan 0.000 0.454 611 K N -0.415 119.996 120.400 0.018 0.000 3.163 611 K HA 0.264 4.584 4.320 -0.001 0.000 0.186 611 K C -2.472 174.148 176.600 0.032 0.000 1.111 611 K CA -1.630 54.666 56.287 0.014 0.000 0.918 611 K CB 0.004 32.499 32.500 -0.008 0.000 1.059 611 K HN -0.165 nan 8.250 nan 0.000 0.558 612 P HA -0.104 nan 4.420 nan 0.000 0.263 612 P C -0.543 176.770 177.300 0.022 0.000 1.168 612 P CA 0.424 63.559 63.100 0.057 0.000 0.759 612 P CB 0.471 32.225 31.700 0.090 0.000 0.782 613 R N 0.166 120.659 120.500 -0.013 0.000 2.725 613 R HA 0.390 4.729 4.340 -0.001 0.000 0.254 613 R C -1.851 174.376 176.300 -0.122 0.000 1.076 613 R CA -0.962 55.106 56.100 -0.054 0.000 0.940 613 R CB 0.252 30.511 30.300 -0.068 0.000 1.260 613 R HN 0.058 nan 8.270 nan 0.000 0.466 614 V N 3.283 123.122 119.914 -0.125 0.000 2.508 614 V HA 0.288 4.408 4.120 -0.001 0.000 0.281 614 V C 0.245 176.187 176.094 -0.253 0.000 1.041 614 V CA 0.018 62.201 62.300 -0.195 0.000 1.016 614 V CB 0.799 32.574 31.823 -0.080 0.000 0.984 614 V HN 0.680 nan 8.190 nan 0.000 0.478 615 K N 3.474 123.575 120.400 -0.497 0.000 2.346 615 K HA 0.672 4.992 4.320 -0.001 0.000 0.238 615 K C -0.474 175.941 176.600 -0.307 0.000 1.039 615 K CA -0.898 55.152 56.287 -0.395 0.000 0.861 615 K CB 2.319 34.577 32.500 -0.403 0.000 1.278 615 K HN 0.884 nan 8.250 nan 0.000 0.460 616 E N 0.187 120.390 120.200 0.005 0.000 2.299 616 E HA 0.279 4.628 4.350 -0.001 0.000 0.265 616 E C -1.012 175.741 176.600 0.256 0.000 0.911 616 E CA -0.814 55.601 56.400 0.025 0.000 0.789 616 E CB 1.117 30.716 29.700 -0.168 0.000 1.246 616 E HN 0.543 nan 8.360 nan 0.000 0.427 617 H N 0.296 119.502 119.070 0.227 0.000 2.631 617 H HA -0.241 4.315 4.556 -0.001 0.000 0.322 617 H C -1.011 174.397 175.328 0.134 0.000 1.035 617 H CA 0.695 56.819 56.048 0.127 0.000 1.070 617 H CB -1.914 27.886 29.762 0.064 0.000 1.622 617 H HN 0.537 nan 8.280 nan 0.000 0.373 618 Y N 2.928 123.175 120.300 -0.088 0.000 2.717 618 Y HA -0.042 4.507 4.550 -0.001 0.000 0.330 618 Y C 1.334 177.190 175.900 -0.073 0.000 1.217 618 Y CA 0.407 58.291 58.100 -0.359 0.000 1.506 618 Y CB 0.387 38.292 38.460 -0.925 0.000 1.268 618 Y HN 0.527 nan 8.280 nan 0.000 0.561 619 R N 3.161 123.319 120.500 -0.570 0.000 3.460 619 R HA -0.332 4.008 4.340 -0.001 0.000 0.254 619 R C 1.452 177.673 176.300 -0.131 0.000 1.028 619 R CA 0.385 56.259 56.100 -0.375 0.000 0.688 619 R CB -1.720 28.279 30.300 -0.501 0.000 1.062 619 R HN 0.831 nan 8.270 nan 0.000 0.463 620 A N 0.673 123.464 122.820 -0.049 0.000 1.954 620 A HA -0.373 3.947 4.320 -0.001 0.000 0.222 620 A C 1.859 179.422 177.584 -0.035 0.000 1.199 620 A CA 2.258 54.288 52.037 -0.011 0.000 0.657 620 A CB -0.429 18.560 19.000 -0.018 0.000 0.823 620 A HN 0.584 nan 8.150 nan 0.000 0.463 621 N N -0.650 118.016 118.700 -0.057 0.000 2.028 621 N HA -0.134 4.606 4.740 -0.001 0.000 0.194 621 N C 1.760 177.223 175.510 -0.079 0.000 1.050 621 N CA 1.781 54.787 53.050 -0.073 0.000 0.848 621 N CB -0.144 38.288 38.487 -0.092 0.000 1.038 621 N HN 0.327 nan 8.380 nan 0.000 0.423 622 K N 0.318 120.673 120.400 -0.075 0.000 2.057 622 K HA -0.034 4.286 4.320 -0.001 0.000 0.207 622 K C 2.057 178.719 176.600 0.104 0.000 1.049 622 K CA 0.677 56.938 56.287 -0.043 0.000 0.931 622 K CB -0.938 31.618 32.500 0.093 0.000 0.714 622 K HN 0.117 nan 8.250 nan 0.000 0.440 623 V N 2.619 122.614 119.914 0.136 0.000 2.453 623 V HA -0.255 3.865 4.120 -0.001 0.000 0.252 623 V C 2.236 178.419 176.094 0.148 0.000 1.068 623 V CA 1.733 64.142 62.300 0.182 0.000 1.070 623 V CB -0.532 31.355 31.823 0.106 0.000 0.664 623 V HN 0.402 nan 8.190 nan 0.000 0.461 624 N N -0.226 118.511 118.700 0.062 0.000 2.333 624 N HA -0.070 4.669 4.740 -0.001 0.000 0.178 624 N C 1.822 177.341 175.510 0.015 0.000 1.018 624 N CA 1.088 54.162 53.050 0.040 0.000 0.882 624 N CB 0.086 38.572 38.487 -0.001 0.000 0.984 624 N HN 0.468 nan 8.380 nan 0.000 0.434 625 L N 0.096 121.267 121.223 -0.086 0.000 2.042 625 L HA -0.086 4.253 4.340 -0.001 0.000 0.210 625 L C 1.715 178.486 176.870 -0.165 0.000 1.076 625 L CA 1.696 56.397 54.840 -0.232 0.000 0.749 625 L CB -0.720 41.032 42.059 -0.512 0.000 0.893 625 L HN 0.197 nan 8.230 nan 0.000 0.432 626 W N -0.958 120.397 121.300 0.092 0.000 2.494 626 W HA 0.065 4.725 4.660 -0.001 0.000 0.286 626 W C 2.166 178.708 176.519 0.039 0.000 1.218 626 W CA 0.257 57.653 57.345 0.084 0.000 1.313 626 W CB -0.044 29.448 29.460 0.053 0.000 1.105 626 W HN 0.047 nan 8.180 nan 0.000 0.561 627 L N -0.455 120.922 121.223 0.257 0.000 2.477 627 L HA 0.081 4.420 4.340 -0.001 0.000 0.220 627 L C 2.134 179.080 176.870 0.125 0.000 1.106 627 L CA 0.566 55.495 54.840 0.147 0.000 0.851 627 L CB -0.234 41.891 42.059 0.110 0.000 0.994 627 L HN -0.108 nan 8.230 nan 0.000 0.462 628 E N -0.306 119.978 120.200 0.140 0.000 2.307 628 E HA 0.044 4.394 4.350 -0.001 0.000 0.192 628 E C 1.746 178.507 176.600 0.268 0.000 0.967 628 E CA 0.263 56.772 56.400 0.182 0.000 1.042 628 E CB -0.258 29.523 29.700 0.134 0.000 1.126 628 E HN 0.091 nan 8.360 nan 0.000 0.484 629 L N 1.425 122.732 121.223 0.139 0.000 1.988 629 L HA -0.093 4.246 4.340 -0.001 0.000 0.207 629 L C 2.325 179.264 176.870 0.116 0.000 1.071 629 L CA 1.415 56.317 54.840 0.103 0.000 0.744 629 L CB -0.723 41.328 42.059 -0.013 0.000 0.893 629 L HN -0.060 nan 8.230 nan 0.000 0.433 630 V N 0.497 120.453 119.914 0.069 0.000 2.313 630 V HA -0.281 3.838 4.120 -0.001 0.000 0.253 630 V C -0.101 176.078 176.094 0.142 0.000 1.070 630 V CA 2.553 64.907 62.300 0.090 0.000 1.057 630 V CB -1.901 30.035 31.823 0.188 0.000 0.653 630 V HN 0.396 nan 8.190 nan 0.000 0.450 631 P HA -0.097 nan 4.420 nan 0.000 0.214 631 P C 1.453 178.797 177.300 0.072 0.000 1.162 631 P CA 1.453 64.603 63.100 0.083 0.000 0.874 631 P CB -0.135 31.569 31.700 0.006 0.000 0.784 632 H N -1.174 117.935 119.070 0.066 0.000 2.394 632 H HA -0.126 4.429 4.556 -0.001 0.000 0.297 632 H C 1.850 177.209 175.328 0.053 0.000 1.113 632 H CA 1.227 57.305 56.048 0.049 0.000 1.277 632 H CB -0.802 28.975 29.762 0.026 0.000 1.370 632 H HN 0.054 nan 8.280 nan 0.000 0.506 633 L N -0.942 120.388 121.223 0.179 0.000 2.049 633 L HA -0.139 4.201 4.340 -0.001 0.000 0.203 633 L C 2.257 179.198 176.870 0.118 0.000 1.074 633 L CA 0.999 55.907 54.840 0.112 0.000 0.749 633 L CB -0.457 41.644 42.059 0.070 0.000 0.907 633 L HN 0.431 nan 8.230 nan 0.000 0.439 634 H N 0.414 119.510 119.070 0.043 0.000 2.567 634 H HA -0.079 4.476 4.556 -0.001 0.000 0.281 634 H C 0.438 175.794 175.328 0.047 0.000 1.055 634 H CA 0.569 56.648 56.048 0.052 0.000 1.185 634 H CB -0.152 29.666 29.762 0.093 0.000 1.325 634 H HN 0.248 nan 8.280 nan 0.000 0.622 635 N N 0.021 118.820 118.700 0.165 0.000 2.389 635 N HA 0.243 4.982 4.740 -0.001 0.000 0.260 635 N C -1.050 174.501 175.510 0.069 0.000 1.191 635 N CA -0.148 52.968 53.050 0.110 0.000 0.885 635 N CB 0.361 38.891 38.487 0.071 0.000 1.162 635 N HN 0.174 nan 8.380 nan 0.000 0.512 636 L N 0.000 121.249 121.223 0.043 0.000 2.949 636 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 636 L CA 0.000 54.853 54.840 0.021 0.000 0.813 636 L CB 0.000 42.074 42.059 0.025 0.000 0.961 636 L HN 0.000 nan 8.230 nan 0.000 0.502