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 3ixv_1_C DATA FIRST_RESID 1 DATA SEQUENCE TVADKQARLM PLFKHLTALT REKLPLDQRD ERLKGVGILP RGTLFSCFHA DATA SEQUENCE RHLAEATELY VALYGAKDFN DFIHLCEQAR QIVNEGMFVY AVSVAVLHRE DATA SEQUENCE DCKGITVPPI QEVFPDRFVP AETINRANKE ASNHPDQQSI VVEAEETGNI DATA SEQUENCE LDPEYKLSYF REDIGINAHH WHWHIVYPAT WNPTVMGKEK DRKGELFFYM DATA SEQUENCE HQQMCARYDS ERLSNGLQRM IPFHNFDEPL EGYAPHLTSL VSGLQYASRP DATA SEQUENCE EGYSIHDLSD VDVQDMVRWR ERILDAINMH YIVDKDNNKI PLDIEHGTDI DATA SEQUENCE LGDIIESSDE SKNVEYYGSL HNWGHVMMAN ITDPDHRFQE NPGVMSDTST DATA SEQUENCE SLRDPIFYRW HRFIDNIFQE HKKSFHPYTK EELSFPGVEV VGVSINSKTA DATA SEQUENCE NVITTLIKES LLELSHGINF GTDQSVKVKY HHLDHEPFTY NIVVENNSGA DATA SEQUENCE EKHSTVRIFL APKYDELNNK LEPDEQRRLF IELDKFFYTL TPGKNTIVRN DATA SEQUENCE HQDSSVTISK VRTFDQLGAG EGVSEDSTEY CSCGWPEHML IPRGSHKGME DATA SEQUENCE FELFVMLTDH DEDTVAGLSE NAVCSDAVSY CGARDDRYPD KKAMGFPFDR DATA SEQUENCE KIEARTAAEF LTPNMGLTDI KIKFHG 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.647 174.700 -0.088 0.000 1.109 1 T CA 0.000 62.066 62.100 -0.056 0.000 1.349 1 T CB 0.000 68.842 68.868 -0.044 0.000 0.612 2 V N 2.638 122.491 119.914 -0.100 0.000 2.343 2 V HA -0.166 nan 4.120 nan 0.000 0.247 2 V C 1.165 177.184 176.094 -0.126 0.000 1.051 2 V CA 3.280 65.497 62.300 -0.138 0.000 1.036 2 V CB -0.315 31.431 31.823 -0.128 0.000 0.654 2 V HN 0.564 8.704 8.190 -0.083 0.000 0.451 3 A N -1.125 121.642 122.820 -0.088 0.000 1.902 3 A HA -0.344 nan 4.320 nan 0.000 0.217 3 A C 1.046 178.595 177.584 -0.058 0.000 1.181 3 A CA 3.363 55.357 52.037 -0.073 0.000 0.623 3 A CB -0.930 18.041 19.000 -0.048 0.000 0.818 3 A HN -0.072 8.032 8.150 -0.077 0.000 0.443 4 D N -2.336 118.036 120.400 -0.047 0.000 2.117 4 D HA -0.232 nan 4.640 nan 0.000 0.197 4 D C 2.223 178.510 176.300 -0.021 0.000 0.987 4 D CA 3.196 57.185 54.000 -0.020 0.000 0.829 4 D CB -0.262 40.533 40.800 -0.007 0.000 0.961 4 D HN 0.023 8.236 8.370 -0.055 0.125 0.460 5 K N -0.254 120.096 120.400 -0.084 0.000 2.057 5 K HA -0.382 nan 4.320 nan 0.000 0.207 5 K C 2.453 179.007 176.600 -0.077 0.000 1.049 5 K CA 3.032 59.235 56.287 -0.140 0.000 0.931 5 K CB -0.067 32.203 32.500 -0.383 0.000 0.714 5 K HN -0.545 7.542 8.250 -0.108 0.098 0.440 6 Q N -1.844 117.895 119.800 -0.103 0.000 2.084 6 Q HA -0.308 nan 4.340 nan 0.000 0.202 6 Q C 2.447 178.420 176.000 -0.044 0.000 0.978 6 Q CA 2.944 58.688 55.803 -0.099 0.000 0.844 6 Q CB -0.255 28.400 28.738 -0.137 0.000 0.898 6 Q HN -0.012 8.082 8.270 -0.118 0.105 0.426 7 A N -1.126 121.686 122.820 -0.014 0.000 1.902 7 A HA -0.273 nan 4.320 nan 0.000 0.217 7 A C 1.270 178.901 177.584 0.078 0.000 1.181 7 A CA 2.710 54.763 52.037 0.027 0.000 0.623 7 A CB -0.709 18.316 19.000 0.040 0.000 0.818 7 A HN -0.253 7.793 8.150 -0.025 0.090 0.443 8 R N -3.156 117.412 120.500 0.113 0.000 2.096 8 R HA -0.256 nan 4.340 nan 0.000 0.235 8 R C 2.598 179.025 176.300 0.211 0.000 1.127 8 R CA 2.627 58.833 56.100 0.175 0.000 0.968 8 R CB 0.077 30.529 30.300 0.253 0.000 0.861 8 R HN -0.478 7.757 8.270 0.091 0.090 0.440 9 L N -1.029 120.334 121.223 0.233 0.000 2.083 9 L HA -0.299 nan 4.340 nan 0.000 0.209 9 L C 2.670 179.723 176.870 0.306 0.000 1.083 9 L CA 2.978 58.001 54.840 0.304 0.000 0.752 9 L CB -0.402 41.836 42.059 0.298 0.000 0.899 9 L HN -0.220 8.046 8.230 0.189 0.077 0.433 10 M N -1.126 118.544 119.600 0.117 0.000 2.086 10 M HA -0.257 nan 4.480 nan 0.000 0.261 10 M C -0.750 175.718 176.300 0.281 0.000 1.067 10 M CA 5.818 61.121 55.300 0.006 0.000 1.116 10 M CB -2.372 30.010 32.600 -0.363 0.000 1.348 10 M HN -0.298 8.023 8.290 0.053 0.000 0.407 11 P HA -0.160 nan 4.420 nan 0.000 0.225 11 P C 0.491 177.901 177.300 0.183 0.000 1.148 11 P CA 2.324 65.573 63.100 0.248 0.000 0.779 11 P CB -0.816 30.995 31.700 0.185 0.000 0.780 12 L N -3.157 118.155 121.223 0.149 0.000 2.083 12 L HA -0.352 nan 4.340 nan 0.000 0.209 12 L C 1.911 178.740 176.870 -0.068 0.000 1.083 12 L CA 2.662 57.504 54.840 0.002 0.000 0.752 12 L CB -0.282 41.734 42.059 -0.071 0.000 0.899 12 L HN -0.253 7.936 8.230 0.209 0.165 0.433 13 F N -4.830 115.261 119.950 0.236 0.000 2.558 13 F HA -0.218 nan 4.527 nan 0.000 0.298 13 F C 0.071 175.984 175.800 0.190 0.000 1.119 13 F CA 1.569 59.706 58.000 0.229 0.000 1.451 13 F CB -0.167 38.934 39.000 0.169 0.000 1.091 13 F HN -0.752 7.637 8.300 0.334 0.111 0.563 14 K N -2.098 118.506 120.400 0.339 0.000 2.144 14 K HA 0.038 nan 4.320 nan 0.000 0.270 14 K C -0.128 176.608 176.600 0.227 0.000 1.005 14 K CA -0.384 56.073 56.287 0.283 0.000 0.932 14 K CB 0.575 33.303 32.500 0.381 0.000 1.021 14 K HN -0.989 7.263 8.250 0.312 0.184 0.462 15 H N -0.473 118.639 119.070 0.070 0.000 2.692 15 H HA -0.344 nan 4.556 nan 0.000 0.316 15 H C 0.741 176.072 175.328 0.004 0.000 1.176 15 H CA 1.057 57.125 56.048 0.032 0.000 1.142 15 H CB -1.907 27.875 29.762 0.034 0.000 1.475 15 H HN 0.840 9.032 8.280 -0.146 0.000 0.423 16 L N -2.544 118.716 121.223 0.061 0.000 2.083 16 L HA -0.328 nan 4.340 nan 0.000 0.209 16 L C 1.641 178.550 176.870 0.065 0.000 1.083 16 L CA 2.898 57.766 54.840 0.046 0.000 0.752 16 L CB -1.112 41.028 42.059 0.135 0.000 0.899 16 L HN 0.241 8.476 8.230 0.007 0.000 0.433 17 T N -0.963 113.650 114.554 0.098 0.000 2.708 17 T HA -0.335 nan 4.350 nan 0.000 0.266 17 T C 1.805 176.546 174.700 0.070 0.000 1.037 17 T CA 4.202 66.366 62.100 0.107 0.000 1.146 17 T CB -0.720 68.214 68.868 0.111 0.000 0.865 17 T HN 0.188 8.476 8.240 0.080 0.000 0.435 18 A N 0.952 123.821 122.820 0.080 0.000 1.969 18 A HA -0.083 nan 4.320 nan 0.000 0.218 18 A C 1.390 178.983 177.584 0.014 0.000 1.169 18 A CA 2.080 54.152 52.037 0.058 0.000 0.635 18 A CB -0.834 18.222 19.000 0.094 0.000 0.810 18 A HN -0.174 8.032 8.150 0.112 0.011 0.445 19 L N -3.673 117.550 121.223 -0.001 0.000 2.349 19 L HA -0.243 nan 4.340 nan 0.000 0.220 19 L C -0.238 176.588 176.870 -0.075 0.000 1.130 19 L CA 1.172 55.975 54.840 -0.061 0.000 0.791 19 L CB -0.327 41.649 42.059 -0.138 0.000 0.918 19 L HN -0.493 7.609 8.230 0.027 0.144 0.444 20 T N 0.079 114.606 114.554 -0.045 0.000 2.905 20 T HA -0.083 nan 4.350 nan 0.000 0.400 20 T C -0.194 174.483 174.700 -0.038 0.000 1.098 20 T CA 0.073 62.149 62.100 -0.040 0.000 1.095 20 T CB 0.247 69.108 68.868 -0.011 0.000 1.281 20 T HN -0.829 7.344 8.240 -0.022 0.054 0.515 21 R N 1.481 121.964 120.500 -0.027 0.000 2.690 21 R HA -0.320 nan 4.340 nan 0.000 0.306 21 R C -0.799 175.478 176.300 -0.038 0.000 0.979 21 R CA 0.576 56.659 56.100 -0.028 0.000 0.761 21 R CB -0.194 30.090 30.300 -0.026 0.000 2.077 21 R HN 0.276 8.535 8.270 -0.018 0.000 0.486 22 E N 1.857 122.036 120.200 -0.035 0.000 2.065 22 E HA -0.292 nan 4.350 nan 0.000 0.201 22 E C 0.106 176.681 176.600 -0.041 0.000 1.016 22 E CA 0.877 57.253 56.400 -0.041 0.000 0.818 22 E CB -0.632 29.050 29.700 -0.031 0.000 0.749 22 E HN -0.059 8.285 8.360 -0.027 0.000 0.453 23 K N -0.800 119.582 120.400 -0.030 0.000 3.689 23 K HA -0.296 nan 4.320 nan 0.000 0.276 23 K C -1.547 175.037 176.600 -0.028 0.000 0.932 23 K CA 0.459 56.730 56.287 -0.027 0.000 0.758 23 K CB -1.638 30.844 32.500 -0.030 0.000 1.500 23 K HN 0.138 8.373 8.250 -0.025 0.000 0.448 24 L N 1.146 122.355 121.223 -0.023 0.000 2.457 24 L HA 0.407 nan 4.340 nan 0.000 0.252 24 L C -0.153 176.709 176.870 -0.013 0.000 1.132 24 L CA -3.197 51.632 54.840 -0.019 0.000 0.938 24 L CB 0.546 42.593 42.059 -0.021 0.000 1.246 24 L HN 0.054 8.270 8.230 -0.023 0.000 0.476 25 P HA -0.124 nan 4.420 nan 0.000 0.231 25 P C -1.174 176.122 177.300 -0.007 0.000 1.154 25 P CA 1.219 64.314 63.100 -0.009 0.000 0.762 25 P CB -0.446 31.249 31.700 -0.008 0.000 0.790 26 L N -1.539 119.681 121.223 -0.006 0.000 2.470 26 L HA 0.335 nan 4.340 nan 0.000 0.268 26 L C 0.171 177.038 176.870 -0.005 0.000 0.964 26 L CA -1.642 53.195 54.840 -0.005 0.000 0.839 26 L CB 3.528 45.585 42.059 -0.003 0.000 1.276 26 L HN -0.611 7.515 8.230 -0.007 0.100 0.403 27 D N 2.699 123.097 120.400 -0.005 0.000 2.144 27 D HA -0.351 nan 4.640 nan 0.000 0.199 27 D C 1.308 177.606 176.300 -0.003 0.000 0.984 27 D CA 2.672 56.670 54.000 -0.004 0.000 0.834 27 D CB -0.528 40.270 40.800 -0.003 0.000 0.955 27 D HN 0.466 8.834 8.370 -0.004 0.000 0.465 28 Q N -1.601 118.197 119.800 -0.002 0.000 2.291 28 Q HA -0.261 nan 4.340 nan 0.000 0.206 28 Q C 1.765 177.764 176.000 -0.001 0.000 0.976 28 Q CA 2.216 58.019 55.803 -0.001 0.000 0.875 28 Q CB -1.119 27.619 28.738 -0.001 0.000 0.927 28 Q HN 0.348 8.597 8.270 -0.002 0.019 0.450 29 R N -0.959 119.540 120.500 -0.001 0.000 2.119 29 R HA -0.255 nan 4.340 nan 0.000 0.246 29 R C 1.552 177.852 176.300 0.001 0.000 1.146 29 R CA 2.310 58.410 56.100 0.000 0.000 0.962 29 R CB -0.189 30.111 30.300 -0.001 0.000 0.863 29 R HN -0.658 7.555 8.270 -0.002 0.056 0.442 30 D N -0.275 120.125 120.400 -0.001 0.000 2.639 30 D HA 0.291 nan 4.640 nan 0.000 0.233 30 D C -0.185 176.115 176.300 -0.000 0.000 1.161 30 D CA -0.795 53.205 54.000 -0.000 0.000 1.003 30 D CB -1.575 39.223 40.800 -0.004 0.000 1.034 30 D HN -0.580 7.773 8.370 -0.002 0.016 0.514 31 E N 1.744 121.944 120.200 0.001 0.000 2.160 31 E HA -0.323 nan 4.350 nan 0.000 0.195 31 E C 1.910 178.511 176.600 0.002 0.000 0.991 31 E CA 3.095 59.496 56.400 0.001 0.000 0.810 31 E CB -0.273 29.428 29.700 0.002 0.000 0.742 31 E HN -0.353 7.943 8.360 0.002 0.065 0.466 32 R N -1.410 119.091 120.500 0.002 0.000 2.154 32 R HA -0.274 nan 4.340 nan 0.000 0.248 32 R C 1.104 177.405 176.300 0.002 0.000 1.155 32 R CA 2.321 58.423 56.100 0.003 0.000 0.979 32 R CB -0.287 30.015 30.300 0.004 0.000 0.869 32 R HN 0.242 8.507 8.270 0.003 0.007 0.452 33 L N -3.963 117.260 121.223 0.001 0.000 2.808 33 L HA 0.363 nan 4.340 nan 0.000 0.246 33 L C -0.265 176.606 176.870 0.000 0.000 1.153 33 L CA -0.884 53.956 54.840 0.000 0.000 0.956 33 L CB 0.135 42.193 42.059 -0.002 0.000 1.270 33 L HN -0.186 7.892 8.230 0.000 0.152 0.528 34 K N 0.110 120.510 120.400 0.001 0.000 2.525 34 K HA -0.332 nan 4.320 nan 0.000 0.199 34 K C 0.924 177.525 176.600 0.001 0.000 1.047 34 K CA 2.257 58.544 56.287 0.001 0.000 0.930 34 K CB -1.158 31.343 32.500 0.001 0.000 0.763 34 K HN -0.195 7.914 8.250 0.001 0.141 0.492 35 G N -2.904 105.896 108.800 0.001 0.000 4.530 35 G HA2 0.080 nan 3.960 nan 0.000 0.284 35 G HA3 0.080 nan 3.960 nan 0.000 0.284 35 G C -1.804 173.096 174.900 0.001 0.000 1.008 35 G CA -0.168 44.933 45.100 0.001 0.000 0.770 35 G HN -0.299 7.899 8.290 0.001 0.093 0.424 36 V N -0.901 119.013 119.914 0.001 0.000 3.203 36 V HA 0.633 nan 4.120 nan 0.000 0.305 36 V C -1.870 174.224 176.094 -0.000 0.000 1.361 36 V CA -1.192 61.108 62.300 0.000 0.000 1.066 36 V CB 3.386 35.209 31.823 0.002 0.000 1.085 36 V HN 0.108 8.298 8.190 0.000 0.000 0.456 37 G N 2.727 111.527 108.800 0.000 0.000 2.940 37 G HA2 -0.202 nan 3.960 nan 0.000 0.273 37 G HA3 -0.202 nan 3.960 nan 0.000 0.273 37 G C -1.992 172.908 174.900 0.000 0.000 1.030 37 G CA 0.332 45.434 45.100 0.002 0.000 1.066 37 G HN 0.422 8.713 8.290 0.001 0.000 0.466 38 I N 2.219 122.788 120.570 -0.001 0.000 4.578 38 I HA 0.165 nan 4.170 nan 0.000 0.312 38 I C -0.863 175.249 176.117 -0.009 0.000 1.224 38 I CA 0.621 61.914 61.300 -0.011 0.000 1.318 38 I CB 1.151 39.135 38.000 -0.026 0.000 1.388 38 I HN 0.315 8.528 8.210 0.004 0.000 0.461 39 L N 3.731 124.958 121.223 0.008 0.000 2.255 39 L HA 0.529 nan 4.340 nan 0.000 0.289 39 L C -2.598 174.312 176.870 0.066 0.000 1.046 39 L CA -2.991 51.873 54.840 0.040 0.000 0.816 39 L CB 0.438 42.549 42.059 0.086 0.000 1.197 39 L HN -0.542 7.697 8.230 0.014 0.000 0.427 40 P HA 0.065 nan 4.420 nan 0.000 0.270 40 P C 0.238 177.584 177.300 0.077 0.000 1.227 40 P CA -0.045 63.088 63.100 0.055 0.000 0.788 40 P CB 0.624 32.352 31.700 0.047 0.000 0.926 41 R N 1.859 122.395 120.500 0.060 0.000 2.088 41 R HA -0.330 nan 4.340 nan 0.000 0.232 41 R C 2.621 178.969 176.300 0.081 0.000 1.136 41 R CA 3.327 59.466 56.100 0.065 0.000 0.926 41 R CB -0.852 29.472 30.300 0.041 0.000 0.837 41 R HN 0.552 8.849 8.270 0.045 0.000 0.429 42 G N -1.396 107.445 108.800 0.068 0.000 2.432 42 G HA2 -0.186 nan 3.960 nan 0.000 0.219 42 G HA3 -0.186 nan 3.960 nan 0.000 0.219 42 G C -0.059 174.886 174.900 0.074 0.000 1.135 42 G CA 0.531 45.670 45.100 0.066 0.000 0.767 42 G HN 0.340 8.665 8.290 0.057 0.000 0.550 43 T N -0.358 114.250 114.554 0.090 0.000 2.906 43 T HA -0.212 nan 4.350 nan 0.000 0.320 43 T C -0.286 174.482 174.700 0.114 0.000 1.088 43 T CA -0.248 61.913 62.100 0.102 0.000 1.120 43 T CB 0.836 69.781 68.868 0.127 0.000 1.000 43 T HN -0.817 7.427 8.240 0.092 0.051 0.550 44 L N 0.602 121.875 121.223 0.082 0.000 2.397 44 L HA 0.171 nan 4.340 nan 0.000 0.271 44 L C 0.102 177.020 176.870 0.080 0.000 1.148 44 L CA -0.150 54.732 54.840 0.070 0.000 0.825 44 L CB 0.480 42.547 42.059 0.014 0.000 1.117 44 L HN 0.081 8.355 8.230 0.073 0.000 0.456 45 F N 3.595 123.525 119.950 -0.032 0.000 2.404 45 F HA 0.066 nan 4.527 nan 0.000 0.339 45 F C -1.099 174.576 175.800 -0.209 0.000 1.105 45 F CA -0.981 56.959 58.000 -0.100 0.000 1.087 45 F CB 2.308 41.334 39.000 0.042 0.000 1.143 45 F HN -0.132 8.326 8.300 0.265 0.000 0.491 46 S N 5.612 120.492 115.700 -1.367 0.000 2.437 46 S HA 0.159 nan 4.470 nan 0.000 0.305 46 S C 0.152 174.155 174.600 -0.995 0.000 1.109 46 S CA -1.348 56.331 58.200 -0.868 0.000 1.099 46 S CB 1.509 64.307 63.200 -0.670 0.000 1.004 46 S HN -0.124 6.854 8.310 -2.221 0.000 0.475 47 C N 7.007 125.974 119.300 -0.554 0.000 2.450 47 C HA 0.066 nan 4.460 nan 0.000 0.279 47 C C 0.667 175.181 174.990 -0.792 0.000 1.335 47 C CA 1.474 60.126 59.018 -0.612 0.000 1.749 47 C CB -0.316 26.996 27.740 -0.713 0.000 1.963 47 C HN 0.153 8.180 8.230 -0.338 0.000 0.501 48 F N -4.777 115.030 119.950 -0.239 0.000 2.219 48 F HA -0.075 nan 4.527 nan 0.000 0.294 48 F C -0.066 175.555 175.800 -0.298 0.000 1.086 48 F CA 1.742 59.609 58.000 -0.221 0.000 1.330 48 F CB 0.094 38.982 39.000 -0.186 0.000 1.047 48 F HN -0.929 7.128 8.300 -0.361 0.026 0.495 49 H N 0.359 119.298 119.070 -0.218 0.000 2.897 49 H HA -0.074 nan 4.556 nan 0.000 0.347 49 H C 0.656 175.850 175.328 -0.224 0.000 1.068 49 H CA 0.223 56.112 56.048 -0.265 0.000 1.426 49 H CB 2.030 31.788 29.762 -0.006 0.000 1.410 49 H HN -0.695 7.550 8.280 -0.058 0.000 0.597 50 A N 6.845 129.286 122.820 -0.631 0.000 1.877 50 A HA -0.292 nan 4.320 nan 0.000 0.216 50 A C 1.630 179.199 177.584 -0.025 0.000 1.186 50 A CA 3.591 55.451 52.037 -0.294 0.000 0.620 50 A CB -0.094 18.733 19.000 -0.289 0.000 0.822 50 A HN 0.700 8.056 8.150 -1.323 0.000 0.443 51 R N -2.324 118.294 120.500 0.197 0.000 2.096 51 R HA -0.337 nan 4.340 nan 0.000 0.235 51 R C 2.371 178.677 176.300 0.010 0.000 1.127 51 R CA 3.030 59.200 56.100 0.116 0.000 0.968 51 R CB -0.910 29.438 30.300 0.079 0.000 0.861 51 R HN -0.552 7.884 8.270 0.277 0.000 0.440 52 H N -0.060 119.045 119.070 0.058 0.000 2.353 52 H HA -0.170 nan 4.556 nan 0.000 0.300 52 H C 2.576 177.921 175.328 0.027 0.000 1.090 52 H CA 3.761 59.770 56.048 -0.065 0.000 1.327 52 H CB 0.109 29.545 29.762 -0.542 0.000 1.383 52 H HN -0.637 7.803 8.280 0.302 0.021 0.508 53 L N -1.317 119.949 121.223 0.071 0.000 2.083 53 L HA -0.366 nan 4.340 nan 0.000 0.209 53 L C 1.898 178.818 176.870 0.083 0.000 1.083 53 L CA 2.765 57.637 54.840 0.053 0.000 0.752 53 L CB -0.631 41.412 42.059 -0.027 0.000 0.899 53 L HN -0.203 7.953 8.230 0.043 0.100 0.433 54 A N -0.896 121.960 122.820 0.059 0.000 1.902 54 A HA -0.385 nan 4.320 nan 0.000 0.217 54 A C 2.098 179.714 177.584 0.054 0.000 1.181 54 A CA 3.361 55.429 52.037 0.052 0.000 0.623 54 A CB -1.110 17.910 19.000 0.032 0.000 0.818 54 A HN 0.300 8.383 8.150 0.045 0.094 0.443 55 E N -1.275 118.960 120.200 0.059 0.000 2.077 55 E HA -0.405 nan 4.350 nan 0.000 0.193 55 E C 2.367 178.964 176.600 -0.004 0.000 0.989 55 E CA 2.834 59.258 56.400 0.041 0.000 0.800 55 E CB -0.097 29.649 29.700 0.077 0.000 0.746 55 E HN -0.484 7.918 8.360 0.069 0.000 0.452 56 A N -1.349 121.474 122.820 0.005 0.000 1.902 56 A HA -0.262 nan 4.320 nan 0.000 0.217 56 A C 2.071 179.409 177.584 -0.410 0.000 1.181 56 A CA 3.363 55.248 52.037 -0.253 0.000 0.623 56 A CB -0.863 18.004 19.000 -0.222 0.000 0.818 56 A HN -0.052 8.101 8.150 0.123 0.071 0.443 57 T N -0.239 114.363 114.554 0.081 0.000 2.746 57 T HA -0.310 nan 4.350 nan 0.000 0.267 57 T C 1.767 176.597 174.700 0.218 0.000 1.039 57 T CA 4.518 66.864 62.100 0.411 0.000 1.142 57 T CB -0.478 68.548 68.868 0.263 0.000 0.866 57 T HN 0.125 8.351 8.240 0.112 0.081 0.444 58 E N 1.625 121.863 120.200 0.063 0.000 2.077 58 E HA -0.271 nan 4.350 nan 0.000 0.193 58 E C 1.941 178.552 176.600 0.017 0.000 0.989 58 E CA 2.817 59.241 56.400 0.040 0.000 0.800 58 E CB -0.577 29.132 29.700 0.015 0.000 0.746 58 E HN -0.354 7.944 8.360 0.042 0.087 0.452 59 L N -1.332 119.845 121.223 -0.078 0.000 2.046 59 L HA -0.389 nan 4.340 nan 0.000 0.208 59 L C 2.314 179.157 176.870 -0.044 0.000 1.077 59 L CA 3.193 57.967 54.840 -0.109 0.000 0.747 59 L CB -0.262 41.666 42.059 -0.220 0.000 0.896 59 L HN -0.227 7.822 8.230 -0.128 0.103 0.432 60 Y N -3.104 117.251 120.300 0.091 0.000 2.181 60 Y HA -0.445 nan 4.550 nan 0.000 0.288 60 Y C 2.291 178.355 175.900 0.274 0.000 1.146 60 Y CA 4.157 62.370 58.100 0.189 0.000 1.164 60 Y CB -1.165 37.498 38.460 0.338 0.000 0.982 60 Y HN -0.286 7.760 8.280 -0.238 0.092 0.515 61 V N -4.361 115.779 119.914 0.376 0.000 2.332 61 V HA -0.442 nan 4.120 nan 0.000 0.248 61 V C 1.575 177.794 176.094 0.208 0.000 1.055 61 V CA 3.572 66.031 62.300 0.264 0.000 1.038 61 V CB -1.617 30.273 31.823 0.112 0.000 0.651 61 V HN 0.114 8.490 8.190 0.320 0.006 0.450 62 A N 0.293 123.187 122.820 0.122 0.000 1.902 62 A HA -0.277 nan 4.320 nan 0.000 0.217 62 A C 1.911 179.532 177.584 0.063 0.000 1.181 62 A CA 3.069 55.145 52.037 0.065 0.000 0.623 62 A CB -0.911 18.096 19.000 0.012 0.000 0.818 62 A HN -0.583 7.530 8.150 0.107 0.101 0.443 63 L N -2.364 118.888 121.223 0.048 0.000 2.046 63 L HA -0.400 nan 4.340 nan 0.000 0.208 63 L C 2.221 179.137 176.870 0.078 0.000 1.077 63 L CA 3.171 58.019 54.840 0.013 0.000 0.747 63 L CB -0.688 41.365 42.059 -0.010 0.000 0.896 63 L HN -0.490 7.691 8.230 0.071 0.092 0.432 64 Y N -2.667 117.738 120.300 0.175 0.000 2.181 64 Y HA -0.413 nan 4.550 nan 0.000 0.288 64 Y C 2.924 178.883 175.900 0.099 0.000 1.146 64 Y CA 3.347 61.525 58.100 0.131 0.000 1.164 64 Y CB -0.436 38.054 38.460 0.050 0.000 0.982 64 Y HN 0.325 8.582 8.280 0.274 0.187 0.515 65 G N -2.454 106.477 108.800 0.218 0.000 2.448 65 G HA2 -0.315 nan 3.960 nan 0.000 0.219 65 G HA3 -0.315 nan 3.960 nan 0.000 0.219 65 G C -0.438 174.527 174.900 0.109 0.000 1.127 65 G CA 0.191 45.370 45.100 0.133 0.000 0.766 65 G HN -0.037 8.182 8.290 0.224 0.205 0.552 66 A N 1.051 123.940 122.820 0.115 0.000 2.580 66 A HA -0.170 nan 4.320 nan 0.000 0.244 66 A C -0.170 177.476 177.584 0.104 0.000 1.045 66 A CA 0.092 52.190 52.037 0.102 0.000 0.761 66 A CB 0.118 19.202 19.000 0.140 0.000 0.962 66 A HN -0.636 7.437 8.150 0.129 0.155 0.512 67 K N 3.518 123.964 120.400 0.076 0.000 2.026 67 K HA -0.260 nan 4.320 nan 0.000 0.208 67 K C -0.744 175.906 176.600 0.084 0.000 1.048 67 K CA 2.344 58.673 56.287 0.069 0.000 0.929 67 K CB 0.366 32.895 32.500 0.048 0.000 0.713 67 K HN 0.330 8.789 8.250 0.062 -0.172 0.439 68 D N -5.425 115.032 120.400 0.095 0.000 2.636 68 D HA -0.038 nan 4.640 nan 0.000 0.275 68 D C -0.262 176.135 176.300 0.161 0.000 1.130 68 D CA -1.700 52.375 54.000 0.124 0.000 1.031 68 D CB 0.780 41.645 40.800 0.109 0.000 1.451 68 D HN -0.526 7.896 8.370 0.086 0.000 0.505 69 F N -0.036 119.955 119.950 0.067 0.000 2.134 69 F HA -0.285 nan 4.527 nan 0.000 0.299 69 F C 0.692 176.595 175.800 0.171 0.000 1.097 69 F CA 3.744 61.792 58.000 0.080 0.000 1.264 69 F CB 0.378 39.379 39.000 0.001 0.000 1.001 69 F HN 0.115 8.568 8.300 0.293 0.023 0.479 70 N N -2.266 116.554 118.700 0.199 0.000 2.120 70 N HA -0.323 nan 4.740 nan 0.000 0.188 70 N C 2.440 177.984 175.510 0.057 0.000 1.024 70 N CA 3.280 56.407 53.050 0.128 0.000 0.852 70 N CB -1.250 37.308 38.487 0.119 0.000 1.003 70 N HN 0.073 8.577 8.380 0.232 0.015 0.424 71 D N 0.466 120.900 120.400 0.057 0.000 2.144 71 D HA -0.229 nan 4.640 nan 0.000 0.199 71 D C 1.764 178.076 176.300 0.021 0.000 0.984 71 D CA 2.647 56.672 54.000 0.043 0.000 0.834 71 D CB -0.146 40.678 40.800 0.040 0.000 0.955 71 D HN -0.049 8.540 8.370 0.078 -0.173 0.465 72 F N 1.583 121.418 119.950 -0.192 0.000 2.102 72 F HA -0.337 nan 4.527 nan 0.000 0.298 72 F C 1.698 177.315 175.800 -0.305 0.000 1.105 72 F CA 3.405 61.227 58.000 -0.296 0.000 1.239 72 F CB 0.291 38.966 39.000 -0.542 0.000 0.991 72 F HN -0.169 8.101 8.300 0.084 0.080 0.474 73 I N -2.200 118.252 120.570 -0.197 0.000 2.226 73 I HA -0.555 nan 4.170 nan 0.000 0.245 73 I C 1.946 177.970 176.117 -0.155 0.000 1.100 73 I CA 2.589 63.788 61.300 -0.168 0.000 1.374 73 I CB -1.745 36.241 38.000 -0.023 0.000 1.057 73 I HN 0.201 8.226 8.210 -0.172 0.081 0.413 74 H N 1.487 120.470 119.070 -0.146 0.000 2.293 74 H HA -0.310 nan 4.556 nan 0.000 0.300 74 H C 2.274 177.517 175.328 -0.141 0.000 1.082 74 H CA 4.551 60.534 56.048 -0.108 0.000 1.308 74 H CB 0.340 30.061 29.762 -0.067 0.000 1.375 74 H HN -0.360 7.863 8.280 0.050 0.087 0.495 75 L N -1.519 119.653 121.223 -0.085 0.000 2.083 75 L HA -0.287 nan 4.340 nan 0.000 0.209 75 L C 1.649 178.377 176.870 -0.235 0.000 1.083 75 L CA 3.098 57.856 54.840 -0.137 0.000 0.752 75 L CB -0.690 41.306 42.059 -0.105 0.000 0.899 75 L HN -0.094 8.111 8.230 -0.042 0.000 0.433 76 C N -0.264 118.829 119.300 -0.344 0.000 2.413 76 C HA -0.487 nan 4.460 nan 0.000 0.276 76 C C 1.681 176.572 174.990 -0.165 0.000 1.236 76 C CA 4.128 62.990 59.018 -0.260 0.000 1.735 76 C CB -1.970 25.501 27.740 -0.448 0.000 2.031 76 C HN -0.183 7.769 8.230 -0.439 0.015 0.474 77 E N -0.572 119.486 120.200 -0.238 0.000 2.085 77 E HA -0.504 nan 4.350 nan 0.000 0.194 77 E C 2.411 178.850 176.600 -0.269 0.000 0.994 77 E CA 3.215 59.472 56.400 -0.239 0.000 0.801 77 E CB -0.287 29.271 29.700 -0.238 0.000 0.743 77 E HN 0.162 8.173 8.360 -0.268 0.188 0.453 78 Q N -0.845 118.767 119.800 -0.315 0.000 2.083 78 Q HA -0.217 nan 4.340 nan 0.000 0.198 78 Q C 2.713 178.607 176.000 -0.177 0.000 0.969 78 Q CA 2.675 58.326 55.803 -0.254 0.000 0.838 78 Q CB 0.098 28.678 28.738 -0.264 0.000 0.900 78 Q HN -0.241 7.724 8.270 -0.387 0.073 0.436 79 A N 0.790 123.523 122.820 -0.145 0.000 1.933 79 A HA -0.277 nan 4.320 nan 0.000 0.218 79 A C 1.489 179.003 177.584 -0.117 0.000 1.175 79 A CA 2.980 54.969 52.037 -0.081 0.000 0.628 79 A CB -0.876 18.117 19.000 -0.013 0.000 0.814 79 A HN 0.586 8.444 8.150 -0.161 0.195 0.444 80 R N -2.059 118.277 120.500 -0.272 0.000 2.152 80 R HA -0.308 nan 4.340 nan 0.000 0.232 80 R C 1.985 178.067 176.300 -0.364 0.000 1.117 80 R CA 2.670 58.394 56.100 -0.628 0.000 0.981 80 R CB -0.043 29.559 30.300 -1.163 0.000 0.870 80 R HN 0.010 8.117 8.270 -0.245 0.017 0.451 81 Q N -3.388 116.269 119.800 -0.238 0.000 2.050 81 Q HA -0.282 nan 4.340 nan 0.000 0.202 81 Q C 1.054 176.988 176.000 -0.111 0.000 0.980 81 Q CA 2.518 58.224 55.803 -0.162 0.000 0.840 81 Q CB 0.345 29.008 28.738 -0.126 0.000 0.898 81 Q HN -0.577 7.404 8.270 -0.225 0.154 0.424 82 I N -3.847 116.671 120.570 -0.087 0.000 2.339 82 I HA -0.126 nan 4.170 nan 0.000 0.245 82 I C 0.166 176.266 176.117 -0.027 0.000 1.096 82 I CA 0.839 62.111 61.300 -0.048 0.000 1.408 82 I CB 1.490 39.469 38.000 -0.035 0.000 1.092 82 I HN -0.676 7.475 8.210 -0.099 0.000 0.423 83 V N -4.166 115.734 119.914 -0.022 0.000 3.185 83 V HA 0.007 nan 4.120 nan 0.000 0.305 83 V C -0.436 175.680 176.094 0.036 0.000 1.090 83 V CA -2.340 59.971 62.300 0.018 0.000 1.107 83 V CB 0.175 32.024 31.823 0.044 0.000 1.061 83 V HN -0.386 7.778 8.190 -0.043 0.000 0.480 84 N N 1.757 120.499 118.700 0.071 0.000 2.454 84 N HA -0.098 nan 4.740 nan 0.000 0.254 84 N C 1.265 176.840 175.510 0.109 0.000 1.228 84 N CA -0.105 53.005 53.050 0.099 0.000 0.900 84 N CB 0.815 39.397 38.487 0.159 0.000 1.089 84 N HN 0.191 8.617 8.380 0.076 0.000 0.449 85 E N 3.065 123.342 120.200 0.129 0.000 2.106 85 E HA -0.323 nan 4.350 nan 0.000 0.192 85 E C 1.712 178.468 176.600 0.261 0.000 0.984 85 E CA 2.960 59.476 56.400 0.192 0.000 0.806 85 E CB -0.857 28.969 29.700 0.210 0.000 0.750 85 E HN 0.257 8.690 8.360 0.122 0.000 0.458 86 G N -0.367 108.536 108.800 0.172 0.000 2.418 86 G HA2 -0.306 nan 3.960 nan 0.000 0.217 86 G HA3 -0.306 nan 3.960 nan 0.000 0.217 86 G C 1.117 175.934 174.900 -0.138 0.000 1.158 86 G CA 1.594 46.766 45.100 0.120 0.000 0.771 86 G HN -0.334 8.115 8.290 0.163 -0.062 0.545 87 M N 2.716 122.053 119.600 -0.437 0.000 2.117 87 M HA -0.357 nan 4.480 nan 0.000 0.262 87 M C 0.867 177.000 176.300 -0.279 0.000 1.065 87 M CA 3.308 58.106 55.300 -0.836 0.000 1.114 87 M CB 0.063 32.376 32.600 -0.479 0.000 1.361 87 M HN 0.107 8.641 8.290 -0.170 -0.346 0.408 88 F N -0.604 119.256 119.950 -0.150 0.000 2.102 88 F HA -0.404 nan 4.527 nan 0.000 0.298 88 F C 1.110 176.930 175.800 0.032 0.000 1.105 88 F CA 4.205 62.161 58.000 -0.073 0.000 1.239 88 F CB -0.081 38.888 39.000 -0.051 0.000 0.991 88 F HN -0.372 7.918 8.300 0.140 0.094 0.474 89 V N -0.273 119.760 119.914 0.198 0.000 2.407 89 V HA -0.467 nan 4.120 nan 0.000 0.248 89 V C 1.022 177.269 176.094 0.255 0.000 1.055 89 V CA 4.023 66.496 62.300 0.288 0.000 1.049 89 V CB -1.001 31.201 31.823 0.631 0.000 0.662 89 V HN 0.029 8.453 8.190 0.390 0.000 0.455 90 Y N 0.541 120.897 120.300 0.094 0.000 2.145 90 Y HA -0.476 nan 4.550 nan 0.000 0.286 90 Y C 1.340 177.249 175.900 0.014 0.000 1.145 90 Y CA 3.779 61.904 58.100 0.041 0.000 1.148 90 Y CB -0.315 38.030 38.460 -0.191 0.000 0.981 90 Y HN -0.423 7.878 8.280 0.205 0.102 0.507 91 A N -1.689 121.142 122.820 0.020 0.000 1.898 91 A HA -0.365 nan 4.320 nan 0.000 0.216 91 A C 2.120 179.720 177.584 0.027 0.000 1.181 91 A CA 3.140 55.066 52.037 -0.185 0.000 0.620 91 A CB -0.648 18.085 19.000 -0.446 0.000 0.819 91 A HN 0.189 8.269 8.150 -0.117 0.000 0.442 92 V N -4.387 115.395 119.914 -0.220 0.000 2.358 92 V HA -0.373 nan 4.120 nan 0.000 0.246 92 V C 1.847 178.053 176.094 0.187 0.000 1.047 92 V CA 3.897 66.109 62.300 -0.148 0.000 1.035 92 V CB -1.326 30.160 31.823 -0.563 0.000 0.658 92 V HN 0.151 8.078 8.190 -0.438 0.000 0.452 93 S N 0.307 116.161 115.700 0.257 0.000 2.382 93 S HA -0.269 nan 4.470 nan 0.000 0.228 93 S C 2.023 176.776 174.600 0.255 0.000 1.027 93 S CA 3.523 61.904 58.200 0.302 0.000 0.991 93 S CB -0.440 62.939 63.200 0.298 0.000 0.823 93 S HN -0.288 8.141 8.310 0.198 0.000 0.469 94 V N 1.382 121.499 119.914 0.338 0.000 2.343 94 V HA -0.380 nan 4.120 nan 0.000 0.247 94 V C 1.863 178.258 176.094 0.502 0.000 1.051 94 V CA 4.041 66.621 62.300 0.467 0.000 1.036 94 V CB -1.047 31.132 31.823 0.593 0.000 0.654 94 V HN -0.428 7.980 8.190 0.364 0.000 0.451 95 A N -0.606 122.394 122.820 0.299 0.000 1.902 95 A HA -0.291 nan 4.320 nan 0.000 0.217 95 A C 1.852 179.430 177.584 -0.009 0.000 1.181 95 A CA 3.597 55.593 52.037 -0.069 0.000 0.623 95 A CB -0.841 18.195 19.000 0.061 0.000 0.818 95 A HN -0.219 8.059 8.150 0.337 0.074 0.443 96 V N -0.344 119.625 119.914 0.091 0.000 2.407 96 V HA -0.404 nan 4.120 nan 0.000 0.248 96 V C 1.396 177.491 176.094 0.002 0.000 1.055 96 V CA 3.794 66.109 62.300 0.026 0.000 1.049 96 V CB -0.834 31.060 31.823 0.117 0.000 0.662 96 V HN 0.048 8.274 8.190 0.189 0.078 0.455 97 L N -2.182 119.055 121.223 0.024 0.000 2.005 97 L HA -0.379 nan 4.340 nan 0.000 0.207 97 L C 1.794 178.532 176.870 -0.219 0.000 1.072 97 L CA 3.217 57.969 54.840 -0.146 0.000 0.744 97 L CB 0.143 42.038 42.059 -0.273 0.000 0.895 97 L HN -0.293 7.919 8.230 0.109 0.083 0.433 98 H N -4.782 114.400 119.070 0.186 0.000 2.384 98 H HA 0.014 nan 4.556 nan 0.000 0.300 98 H C 1.125 176.594 175.328 0.235 0.000 1.057 98 H CA 2.549 58.761 56.048 0.272 0.000 1.370 98 H CB 0.681 30.762 29.762 0.532 0.000 1.417 98 H HN -0.490 7.990 8.280 0.333 0.000 0.527 99 R N 1.145 121.802 120.500 0.262 0.000 2.351 99 R HA -0.117 nan 4.340 nan 0.000 0.318 99 R C 0.695 177.029 176.300 0.057 0.000 1.055 99 R CA -0.010 56.175 56.100 0.141 0.000 0.968 99 R CB 0.162 30.416 30.300 -0.076 0.000 0.974 99 R HN 0.041 8.402 8.270 0.151 0.000 0.439 100 E N 5.344 125.592 120.200 0.081 0.000 2.097 100 E HA -0.397 nan 4.350 nan 0.000 0.196 100 E C 1.197 177.796 176.600 -0.003 0.000 1.000 100 E CA 3.543 59.967 56.400 0.039 0.000 0.804 100 E CB -0.573 29.158 29.700 0.051 0.000 0.740 100 E HN 0.441 8.876 8.360 0.125 0.000 0.454 101 D N -0.393 120.020 120.400 0.021 0.000 2.133 101 D HA -0.229 nan 4.640 nan 0.000 0.195 101 D C 1.664 177.892 176.300 -0.120 0.000 0.997 101 D CA 2.801 56.813 54.000 0.020 0.000 0.840 101 D CB -0.481 40.434 40.800 0.192 0.000 0.947 101 D HN 0.001 8.384 8.370 0.051 0.017 0.452 102 C N -0.381 118.863 119.300 -0.093 0.000 2.420 102 C HA -0.090 nan 4.460 nan 0.000 0.373 102 C C 0.527 175.419 174.990 -0.164 0.000 1.356 102 C CA -1.068 57.836 59.018 -0.191 0.000 1.531 102 C CB -2.488 25.186 27.740 -0.111 0.000 1.613 102 C HN -0.134 7.992 8.230 -0.028 0.087 0.597 103 K N 3.866 124.180 120.400 -0.144 0.000 3.256 103 K HA -0.142 nan 4.320 nan 0.000 0.285 103 K C -0.568 175.940 176.600 -0.155 0.000 1.086 103 K CA -0.188 56.029 56.287 -0.118 0.000 1.125 103 K CB -2.632 29.817 32.500 -0.085 0.000 1.292 103 K HN 0.066 8.065 8.250 -0.129 0.174 0.312 104 G N -2.148 106.537 108.800 -0.191 0.000 3.941 104 G HA2 0.081 nan 3.960 nan 0.000 0.222 104 G HA3 0.081 nan 3.960 nan 0.000 0.222 104 G C -1.499 173.265 174.900 -0.227 0.000 1.118 104 G CA 0.209 45.179 45.100 -0.217 0.000 0.880 104 G HN 0.078 8.194 8.290 -0.181 0.066 0.546 105 I N 0.609 121.042 120.570 -0.228 0.000 2.651 105 I HA 0.093 nan 4.170 nan 0.000 0.287 105 I C -1.739 174.217 176.117 -0.269 0.000 1.244 105 I CA -0.821 60.332 61.300 -0.245 0.000 1.061 105 I CB 2.662 40.543 38.000 -0.199 0.000 1.286 105 I HN -0.617 7.475 8.210 -0.195 0.000 0.434 106 T N 5.550 119.872 114.554 -0.387 0.000 2.847 106 T HA 0.164 nan 4.350 nan 0.000 0.279 106 T C -1.205 173.336 174.700 -0.265 0.000 0.984 106 T CA -0.848 61.020 62.100 -0.388 0.000 0.988 106 T CB 1.050 69.587 68.868 -0.552 0.000 1.040 106 T HN 0.066 8.249 8.240 -0.368 -0.164 0.528 107 V N 2.368 122.136 119.914 -0.243 0.000 2.630 107 V HA 0.331 nan 4.120 nan 0.000 0.305 107 V C -1.897 173.905 176.094 -0.486 0.000 1.046 107 V CA -3.444 58.623 62.300 -0.389 0.000 0.934 107 V CB 0.537 32.196 31.823 -0.274 0.000 1.003 107 V HN 0.427 8.512 8.190 -0.175 0.000 0.451 108 P HA 0.253 nan 4.420 nan 0.000 0.269 108 P C -2.621 174.498 177.300 -0.301 0.000 1.215 108 P CA -1.281 61.481 63.100 -0.563 0.000 0.780 108 P CB -0.147 31.195 31.700 -0.597 0.000 0.898 109 P HA 0.031 nan 4.420 nan 0.000 0.268 109 P C 0.442 177.685 177.300 -0.094 0.000 1.204 109 P CA -0.306 62.749 63.100 -0.075 0.000 0.768 109 P CB 0.453 32.117 31.700 -0.061 0.000 0.842 110 I N -0.724 119.790 120.570 -0.095 0.000 2.252 110 I HA -0.457 nan 4.170 nan 0.000 0.245 110 I C 1.321 177.366 176.117 -0.120 0.000 1.102 110 I CA 3.922 65.142 61.300 -0.134 0.000 1.385 110 I CB -0.128 37.682 38.000 -0.316 0.000 1.064 110 I HN 0.320 8.528 8.210 -0.004 0.000 0.414 111 Q N 0.720 120.170 119.800 -0.584 0.000 2.084 111 Q HA -0.339 nan 4.340 nan 0.000 0.202 111 Q C 1.302 177.049 176.000 -0.421 0.000 0.978 111 Q CA 3.613 58.612 55.803 -1.340 0.000 0.844 111 Q CB -1.173 26.718 28.738 -1.411 0.000 0.898 111 Q HN 0.298 8.287 8.270 -0.468 0.000 0.426 112 E N -2.767 117.296 120.200 -0.229 0.000 2.107 112 E HA -0.208 nan 4.350 nan 0.000 0.191 112 E C 1.817 178.389 176.600 -0.047 0.000 0.982 112 E CA 2.272 58.626 56.400 -0.076 0.000 0.809 112 E CB -0.038 29.652 29.700 -0.016 0.000 0.756 112 E HN 0.015 8.136 8.360 -0.235 0.098 0.459 113 V N -4.674 115.192 119.914 -0.080 0.000 2.307 113 V HA -0.160 nan 4.120 nan 0.000 0.245 113 V C 0.655 176.471 176.094 -0.462 0.000 1.045 113 V CA 2.231 64.389 62.300 -0.237 0.000 1.024 113 V CB 0.084 31.746 31.823 -0.269 0.000 0.651 113 V HN -0.130 7.804 8.190 -0.075 0.211 0.449 114 F N -1.242 118.762 119.950 0.090 0.000 2.449 114 F HA 0.610 nan 4.527 nan 0.000 0.344 114 F C -1.119 174.829 175.800 0.246 0.000 1.180 114 F CA -3.088 54.999 58.000 0.145 0.000 1.209 114 F CB 0.438 39.519 39.000 0.134 0.000 1.440 114 F HN -0.051 8.244 8.300 0.168 0.106 0.526 115 P HA -0.221 nan 4.420 nan 0.000 0.220 115 P C 0.189 177.684 177.300 0.325 0.000 1.148 115 P CA 2.570 65.828 63.100 0.265 0.000 0.803 115 P CB -0.147 31.632 31.700 0.132 0.000 0.782 116 D N -3.572 117.002 120.400 0.291 0.000 2.178 116 D HA -0.275 nan 4.640 nan 0.000 0.202 116 D C 1.516 177.952 176.300 0.227 0.000 0.974 116 D CA 2.698 56.841 54.000 0.238 0.000 0.841 116 D CB -1.035 39.894 40.800 0.216 0.000 0.953 116 D HN 0.493 8.998 8.370 0.317 0.055 0.478 117 R N -2.225 118.413 120.500 0.230 0.000 2.115 117 R HA -0.198 nan 4.340 nan 0.000 0.226 117 R C 1.469 177.626 176.300 -0.238 0.000 1.100 117 R CA 2.155 58.251 56.100 -0.007 0.000 0.980 117 R CB -0.727 29.479 30.300 -0.158 0.000 0.875 117 R HN -0.483 7.975 8.270 0.343 0.018 0.445 118 F N -2.558 117.424 119.950 0.053 0.000 2.234 118 F HA -0.075 nan 4.527 nan 0.000 0.296 118 F C -0.257 175.547 175.800 0.007 0.000 1.089 118 F CA 2.244 60.242 58.000 -0.004 0.000 1.343 118 F CB 0.740 39.715 39.000 -0.042 0.000 1.040 118 F HN -0.802 7.640 8.300 0.465 0.137 0.498 119 V N -7.553 112.489 119.914 0.213 0.000 2.919 119 V HA 0.469 nan 4.120 nan 0.000 0.316 119 V C -2.815 173.368 176.094 0.147 0.000 1.077 119 V CA -4.527 57.872 62.300 0.165 0.000 0.977 119 V CB 0.177 32.102 31.823 0.171 0.000 1.039 119 V HN -0.562 7.772 8.190 0.241 0.000 0.441 120 P HA 0.134 nan 4.420 nan 0.000 0.272 120 P C -0.566 176.815 177.300 0.135 0.000 1.230 120 P CA -0.755 62.428 63.100 0.139 0.000 0.788 120 P CB 0.746 32.515 31.700 0.114 0.000 0.949 121 A N 1.950 124.857 122.820 0.145 0.000 1.933 121 A HA -0.364 nan 4.320 nan 0.000 0.218 121 A C 2.034 179.680 177.584 0.104 0.000 1.175 121 A CA 3.486 55.599 52.037 0.126 0.000 0.628 121 A CB -0.456 18.622 19.000 0.130 0.000 0.814 121 A HN 0.227 8.480 8.150 0.173 0.000 0.444 122 E N -2.340 117.919 120.200 0.098 0.000 2.051 122 E HA -0.416 nan 4.350 nan 0.000 0.192 122 E C 2.352 178.998 176.600 0.076 0.000 0.991 122 E CA 3.304 59.750 56.400 0.078 0.000 0.799 122 E CB -0.955 28.782 29.700 0.062 0.000 0.748 122 E HN 0.268 8.680 8.360 0.106 0.012 0.449 123 T N 1.295 115.900 114.554 0.086 0.000 2.746 123 T HA -0.138 nan 4.350 nan 0.000 0.267 123 T C 2.130 176.880 174.700 0.083 0.000 1.039 123 T CA 3.887 66.038 62.100 0.086 0.000 1.142 123 T CB -0.567 68.362 68.868 0.102 0.000 0.866 123 T HN 0.036 8.332 8.240 0.093 0.000 0.444 124 I N 1.345 121.971 120.570 0.092 0.000 2.286 124 I HA -0.579 nan 4.170 nan 0.000 0.248 124 I C 1.422 177.583 176.117 0.072 0.000 1.115 124 I CA 4.302 65.655 61.300 0.088 0.000 1.392 124 I CB -0.431 37.630 38.000 0.101 0.000 1.065 124 I HN -0.182 8.081 8.210 0.101 0.007 0.418 125 N N -0.014 118.727 118.700 0.069 0.000 2.120 125 N HA -0.298 nan 4.740 nan 0.000 0.188 125 N C 2.222 177.763 175.510 0.052 0.000 1.024 125 N CA 3.579 56.663 53.050 0.057 0.000 0.852 125 N CB -0.022 38.498 38.487 0.056 0.000 1.003 125 N HN 0.252 8.485 8.380 0.077 0.193 0.424 126 R N -0.469 120.064 120.500 0.055 0.000 2.073 126 R HA -0.341 nan 4.340 nan 0.000 0.234 126 R C 2.063 178.393 176.300 0.049 0.000 1.134 126 R CA 3.454 59.584 56.100 0.050 0.000 0.952 126 R CB -0.230 30.101 30.300 0.052 0.000 0.850 126 R HN 0.156 8.385 8.270 0.060 0.078 0.433 127 A N -1.137 121.714 122.820 0.052 0.000 1.902 127 A HA -0.280 nan 4.320 nan 0.000 0.217 127 A C 2.174 179.784 177.584 0.044 0.000 1.181 127 A CA 3.217 55.284 52.037 0.049 0.000 0.623 127 A CB -0.851 18.180 19.000 0.052 0.000 0.818 127 A HN 0.318 8.503 8.150 0.058 0.000 0.443 128 N N -1.896 116.830 118.700 0.043 0.000 2.120 128 N HA -0.311 nan 4.740 nan 0.000 0.188 128 N C 2.196 177.723 175.510 0.029 0.000 1.024 128 N CA 2.822 55.892 53.050 0.033 0.000 0.852 128 N CB -0.489 38.018 38.487 0.032 0.000 1.003 128 N HN -0.234 8.174 8.380 0.048 0.000 0.424 129 K N 1.188 121.608 120.400 0.033 0.000 2.057 129 K HA -0.348 nan 4.320 nan 0.000 0.207 129 K C 2.123 178.745 176.600 0.038 0.000 1.049 129 K CA 3.506 59.812 56.287 0.030 0.000 0.931 129 K CB 0.029 32.550 32.500 0.035 0.000 0.714 129 K HN 0.306 8.374 8.250 0.039 0.204 0.440 130 E N -1.198 119.031 120.200 0.049 0.000 2.153 130 E HA -0.352 nan 4.350 nan 0.000 0.194 130 E C 2.300 178.938 176.600 0.063 0.000 0.988 130 E CA 2.814 59.253 56.400 0.066 0.000 0.811 130 E CB -0.241 29.495 29.700 0.059 0.000 0.746 130 E HN 0.263 8.462 8.360 0.047 0.190 0.466 131 A N -1.050 121.796 122.820 0.044 0.000 1.877 131 A HA -0.219 nan 4.320 nan 0.000 0.216 131 A C 1.481 179.079 177.584 0.023 0.000 1.186 131 A CA 3.211 55.269 52.037 0.036 0.000 0.620 131 A CB -0.552 18.462 19.000 0.024 0.000 0.822 131 A HN -0.120 7.968 8.150 0.040 0.086 0.443 132 S N -1.977 113.729 115.700 0.009 0.000 2.395 132 S HA -0.156 nan 4.470 nan 0.000 0.225 132 S C 1.686 176.266 174.600 -0.033 0.000 1.027 132 S CA 2.206 60.398 58.200 -0.013 0.000 0.965 132 S CB 0.563 63.752 63.200 -0.018 0.000 0.812 132 S HN -0.411 7.907 8.310 0.013 0.000 0.482 133 N N 1.388 120.079 118.700 -0.015 0.000 2.025 133 N HA -0.234 nan 4.740 nan 0.000 0.194 133 N C 0.070 175.432 175.510 -0.247 0.000 1.044 133 N CA 2.534 55.536 53.050 -0.080 0.000 0.851 133 N CB 0.604 39.133 38.487 0.071 0.000 1.036 133 N HN 0.045 8.236 8.380 0.021 0.201 0.422 134 H N -1.974 117.099 119.070 0.006 0.000 2.906 134 H HA 0.332 nan 4.556 nan 0.000 0.324 134 H C -2.405 172.926 175.328 0.005 0.000 0.973 134 H CA -2.277 53.774 56.048 0.005 0.000 1.321 134 H CB 1.398 31.164 29.762 0.006 0.000 1.535 134 H HN -0.601 7.765 8.280 0.143 0.000 0.518 135 P HA -0.011 nan 4.420 nan 0.000 0.271 135 P C -1.655 175.687 177.300 0.070 0.000 1.220 135 P CA -0.100 63.032 63.100 0.053 0.000 0.768 135 P CB 0.481 32.192 31.700 0.019 0.000 0.848 136 D N 2.891 123.326 120.400 0.057 0.000 2.751 136 D HA -0.023 nan 4.640 nan 0.000 0.236 136 D C -0.046 176.279 176.300 0.041 0.000 1.196 136 D CA -0.027 54.002 54.000 0.048 0.000 0.741 136 D CB 1.461 42.290 40.800 0.049 0.000 1.474 136 D HN -0.413 7.989 8.370 0.054 0.000 0.452 137 Q N 1.426 121.245 119.800 0.033 0.000 2.224 137 Q HA -0.201 nan 4.340 nan 0.000 0.203 137 Q C -0.052 175.963 176.000 0.025 0.000 0.970 137 Q CA 2.176 57.998 55.803 0.032 0.000 0.865 137 Q CB 0.250 29.001 28.738 0.023 0.000 0.922 137 Q HN 0.138 8.425 8.270 0.029 0.000 0.445 138 Q N -1.447 118.365 119.800 0.019 0.000 2.354 138 Q HA -0.241 nan 4.340 nan 0.000 0.310 138 Q C -0.881 175.126 176.000 0.013 0.000 1.104 138 Q CA 0.921 56.731 55.803 0.011 0.000 0.968 138 Q CB 0.465 29.206 28.738 0.005 0.000 1.251 138 Q HN -0.265 8.159 8.270 0.021 -0.141 0.411 139 S N 2.367 118.069 115.700 0.003 0.000 2.592 139 S HA 0.371 nan 4.470 nan 0.000 0.271 139 S C -0.738 173.865 174.600 0.006 0.000 1.326 139 S CA 0.201 58.402 58.200 0.002 0.000 1.024 139 S CB 0.825 64.020 63.200 -0.009 0.000 0.921 139 S HN 0.098 8.407 8.310 -0.001 0.000 0.527 140 I N 2.457 123.033 120.570 0.010 0.000 2.474 140 I HA 0.331 nan 4.170 nan 0.000 0.294 140 I C -2.101 174.022 176.117 0.010 0.000 1.005 140 I CA -0.535 60.775 61.300 0.015 0.000 1.113 140 I CB 2.423 40.439 38.000 0.027 0.000 1.289 140 I HN 0.130 8.345 8.210 0.009 0.000 0.436 141 V N 6.666 126.585 119.914 0.009 0.000 2.656 141 V HA 0.661 nan 4.120 nan 0.000 0.307 141 V C -1.713 174.391 176.094 0.015 0.000 1.051 141 V CA -1.764 60.539 62.300 0.006 0.000 0.893 141 V CB 2.350 34.169 31.823 -0.006 0.000 0.999 141 V HN 0.132 8.329 8.190 0.012 0.000 0.426 142 V N 7.643 127.571 119.914 0.023 0.000 2.588 142 V HA 0.393 nan 4.120 nan 0.000 0.304 142 V C -1.911 174.207 176.094 0.039 0.000 1.042 142 V CA -1.206 61.115 62.300 0.036 0.000 0.877 142 V CB 3.555 35.408 31.823 0.050 0.000 0.996 142 V HN 0.600 8.803 8.190 0.021 0.000 0.425 143 E N 6.379 126.606 120.200 0.045 0.000 2.052 143 E HA 0.178 nan 4.350 nan 0.000 0.283 143 E C 0.262 176.921 176.600 0.098 0.000 1.071 143 E CA -1.055 55.380 56.400 0.059 0.000 0.851 143 E CB 0.698 30.441 29.700 0.070 0.000 1.066 143 E HN 0.475 8.861 8.360 0.044 0.000 0.396 144 A N 8.117 131.010 122.820 0.122 0.000 2.070 144 A HA -0.194 nan 4.320 nan 0.000 0.220 144 A C 0.933 178.620 177.584 0.172 0.000 1.159 144 A CA 2.543 54.671 52.037 0.151 0.000 0.656 144 A CB -0.463 18.652 19.000 0.191 0.000 0.800 144 A HN 0.814 8.933 8.150 0.111 0.097 0.453 145 E N -2.098 118.235 120.200 0.222 0.000 2.233 145 E HA -0.243 nan 4.350 nan 0.000 0.199 145 E C 0.046 176.731 176.600 0.142 0.000 1.004 145 E CA 1.088 57.626 56.400 0.231 0.000 0.819 145 E CB 0.127 29.998 29.700 0.285 0.000 0.738 145 E HN 0.092 8.553 8.360 0.238 0.041 0.478 146 E N -3.435 116.826 120.200 0.102 0.000 6.574 146 E HA -0.290 nan 4.350 nan 0.000 0.171 146 E C -1.080 175.542 176.600 0.035 0.000 1.464 146 E CA 0.843 57.278 56.400 0.058 0.000 2.498 146 E CB -0.031 29.693 29.700 0.040 0.000 1.837 146 E HN -0.246 8.139 8.360 0.108 0.039 0.466 147 T N -0.375 114.183 114.554 0.007 0.000 3.105 147 T HA 0.586 nan 4.350 nan 0.000 0.321 147 T C -1.123 173.555 174.700 -0.038 0.000 1.135 147 T CA 0.032 62.124 62.100 -0.013 0.000 1.053 147 T CB 2.028 70.892 68.868 -0.007 0.000 1.133 147 T HN 0.472 8.712 8.240 0.001 0.000 0.463 148 G N 1.731 110.488 108.800 -0.070 0.000 2.646 148 G HA2 0.073 nan 3.960 nan 0.000 0.291 148 G HA3 0.073 nan 3.960 nan 0.000 0.291 148 G C -2.262 172.569 174.900 -0.116 0.000 1.445 148 G CA 0.020 45.066 45.100 -0.089 0.000 0.814 148 G HN -0.219 8.022 8.290 -0.081 0.000 0.495 149 N N 0.153 118.795 118.700 -0.095 0.000 2.488 149 N HA 0.024 nan 4.740 nan 0.000 0.274 149 N C -0.289 175.137 175.510 -0.140 0.000 1.111 149 N CA -0.215 52.779 53.050 -0.095 0.000 0.974 149 N CB 0.882 39.335 38.487 -0.056 0.000 1.089 149 N HN -0.023 8.313 8.380 -0.073 0.000 0.465 150 I N 4.970 125.440 120.570 -0.167 0.000 2.347 150 I HA 0.058 nan 4.170 nan 0.000 0.283 150 I C 0.036 176.100 176.117 -0.088 0.000 1.058 150 I CA -0.284 60.882 61.300 -0.224 0.000 1.202 150 I CB 0.501 38.279 38.000 -0.371 0.000 1.386 150 I HN 0.246 8.379 8.210 -0.127 0.000 0.475 151 L N 6.411 127.608 121.223 -0.042 0.000 2.072 151 L HA -0.150 nan 4.340 nan 0.000 0.205 151 L C 0.214 177.104 176.870 0.035 0.000 1.079 151 L CA 1.653 56.493 54.840 0.001 0.000 0.752 151 L CB -0.251 41.816 42.059 0.014 0.000 0.906 151 L HN 0.402 8.600 8.230 -0.052 0.000 0.436 152 D N -2.138 118.305 120.400 0.072 0.000 2.177 152 D HA 0.306 nan 4.640 nan 0.000 0.247 152 D C -0.940 175.447 176.300 0.144 0.000 1.063 152 D CA -2.784 51.282 54.000 0.111 0.000 0.867 152 D CB 1.284 42.173 40.800 0.149 0.000 1.168 152 D HN -0.625 7.787 8.370 0.069 0.000 0.445 153 P HA -0.076 nan 4.420 nan 0.000 0.226 153 P C 0.496 177.876 177.300 0.133 0.000 1.153 153 P CA 1.292 64.460 63.100 0.114 0.000 0.777 153 P CB 0.320 32.062 31.700 0.071 0.000 0.794 154 E N -0.496 119.792 120.200 0.147 0.000 2.265 154 E HA -0.275 nan 4.350 nan 0.000 0.196 154 E C 1.490 178.178 176.600 0.147 0.000 0.996 154 E CA 2.239 58.722 56.400 0.138 0.000 0.832 154 E CB -0.617 29.186 29.700 0.171 0.000 0.756 154 E HN -0.287 8.416 8.360 0.150 -0.254 0.491 155 Y N 0.584 120.944 120.300 0.099 0.000 2.256 155 Y HA -0.384 nan 4.550 nan 0.000 0.288 155 Y C 1.576 177.531 175.900 0.092 0.000 1.155 155 Y CA 3.307 61.471 58.100 0.106 0.000 1.203 155 Y CB 0.040 38.553 38.460 0.088 0.000 0.980 155 Y HN -0.481 7.835 8.280 0.318 0.154 0.530 156 K N -2.190 118.303 120.400 0.155 0.000 2.103 156 K HA -0.342 nan 4.320 nan 0.000 0.207 156 K C 2.345 178.956 176.600 0.018 0.000 1.048 156 K CA 2.319 58.683 56.287 0.129 0.000 0.930 156 K CB -0.844 31.730 32.500 0.122 0.000 0.716 156 K HN -0.254 7.963 8.250 0.203 0.154 0.444 157 L N -2.296 118.844 121.223 -0.138 0.000 2.376 157 L HA -0.165 nan 4.340 nan 0.000 0.219 157 L C 1.455 178.051 176.870 -0.457 0.000 1.133 157 L CA 1.392 56.008 54.840 -0.374 0.000 0.816 157 L CB -0.837 41.094 42.059 -0.213 0.000 0.933 157 L HN -0.443 7.614 8.230 -0.063 0.135 0.449 158 S N 0.895 116.400 115.700 -0.325 0.000 2.402 158 S HA -0.398 nan 4.470 nan 0.000 0.233 158 S C 1.769 176.264 174.600 -0.175 0.000 1.030 158 S CA 3.893 61.933 58.200 -0.267 0.000 1.003 158 S CB -0.330 62.568 63.200 -0.503 0.000 0.813 158 S HN 0.086 8.010 8.310 -0.329 0.189 0.477 159 Y N -0.549 119.736 120.300 -0.026 0.000 2.181 159 Y HA -0.365 nan 4.550 nan 0.000 0.288 159 Y C 1.087 177.055 175.900 0.113 0.000 1.146 159 Y CA 1.696 59.829 58.100 0.055 0.000 1.164 159 Y CB -0.971 37.530 38.460 0.069 0.000 0.982 159 Y HN -0.780 7.386 8.280 -0.152 0.022 0.515 160 F N 0.294 119.864 119.950 -0.634 0.000 2.098 160 F HA -0.243 nan 4.527 nan 0.000 0.294 160 F C 2.351 178.087 175.800 -0.106 0.000 1.107 160 F CA 2.846 60.699 58.000 -0.245 0.000 1.234 160 F CB 0.622 39.418 39.000 -0.341 0.000 1.002 160 F HN -0.345 7.114 8.300 -1.233 0.102 0.472 161 R N -1.629 118.946 120.500 0.125 0.000 2.075 161 R HA -0.268 nan 4.340 nan 0.000 0.232 161 R C 1.844 178.092 176.300 -0.087 0.000 1.126 161 R CA 2.810 58.971 56.100 0.101 0.000 0.963 161 R CB -0.124 30.236 30.300 0.099 0.000 0.858 161 R HN -0.216 8.092 8.270 0.063 0.000 0.435 162 E N -3.775 116.383 120.200 -0.069 0.000 2.427 162 E HA -0.024 nan 4.350 nan 0.000 0.196 162 E C -0.527 176.028 176.600 -0.074 0.000 1.028 162 E CA 0.344 56.711 56.400 -0.054 0.000 0.864 162 E CB 0.344 30.045 29.700 0.002 0.000 0.813 162 E HN -0.373 7.837 8.360 -0.058 0.115 0.514 163 D N 0.440 120.778 120.400 -0.103 0.000 2.525 163 D HA -0.152 nan 4.640 nan 0.000 0.235 163 D C 0.581 176.830 176.300 -0.085 0.000 1.137 163 D CA 0.819 54.774 54.000 -0.075 0.000 0.868 163 D CB 0.910 41.661 40.800 -0.082 0.000 1.180 163 D HN -0.909 7.208 8.370 -0.144 0.167 0.465 164 I N 6.218 126.747 120.570 -0.068 0.000 2.252 164 I HA -0.225 nan 4.170 nan 0.000 0.245 164 I C 1.054 177.223 176.117 0.087 0.000 1.102 164 I CA 2.951 64.290 61.300 0.065 0.000 1.385 164 I CB 0.501 38.408 38.000 -0.156 0.000 1.064 164 I HN 0.424 8.551 8.210 -0.138 0.000 0.414 165 G N -0.891 107.912 108.800 0.005 0.000 2.418 165 G HA2 -0.283 nan 3.960 nan 0.000 0.217 165 G HA3 -0.283 nan 3.960 nan 0.000 0.217 165 G C 1.391 176.212 174.900 -0.131 0.000 1.158 165 G CA 2.247 47.338 45.100 -0.015 0.000 0.771 165 G HN -0.228 8.266 8.290 0.012 -0.197 0.545 166 I N 2.163 122.546 120.570 -0.311 0.000 2.179 166 I HA -0.459 nan 4.170 nan 0.000 0.242 166 I C 1.773 177.779 176.117 -0.185 0.000 1.088 166 I CA 2.653 63.641 61.300 -0.519 0.000 1.357 166 I CB -1.037 36.556 38.000 -0.679 0.000 1.051 166 I HN -0.366 7.937 8.210 -0.268 -0.254 0.409 167 N N -0.072 118.581 118.700 -0.079 0.000 2.120 167 N HA -0.293 nan 4.740 nan 0.000 0.188 167 N C 2.200 177.824 175.510 0.190 0.000 1.024 167 N CA 3.474 56.531 53.050 0.013 0.000 0.852 167 N CB -0.360 38.063 38.487 -0.108 0.000 1.003 167 N HN -0.591 7.722 8.380 -0.112 0.000 0.424 168 A N -0.010 122.969 122.820 0.266 0.000 1.902 168 A HA -0.270 nan 4.320 nan 0.000 0.217 168 A C 1.839 179.592 177.584 0.283 0.000 1.181 168 A CA 3.060 55.255 52.037 0.264 0.000 0.623 168 A CB -0.729 18.432 19.000 0.268 0.000 0.818 168 A HN -0.148 8.041 8.150 0.235 0.102 0.443 169 H N 0.185 119.402 119.070 0.244 0.000 2.321 169 H HA -0.404 nan 4.556 nan 0.000 0.300 169 H C 1.800 177.366 175.328 0.396 0.000 1.087 169 H CA 3.994 60.245 56.048 0.339 0.000 1.319 169 H CB 0.093 29.942 29.762 0.144 0.000 1.379 169 H HN -0.083 8.373 8.280 0.293 0.000 0.501 170 H N -0.403 118.807 119.070 0.233 0.000 2.387 170 H HA -0.364 nan 4.556 nan 0.000 0.299 170 H C 2.551 178.095 175.328 0.360 0.000 1.090 170 H CA 3.193 59.384 56.048 0.239 0.000 1.332 170 H CB 0.348 30.229 29.762 0.199 0.000 1.386 170 H HN -0.453 8.076 8.280 0.414 0.000 0.516 171 W N 0.390 121.744 121.300 0.090 0.000 2.355 171 W HA -0.415 nan 4.660 nan 0.000 0.309 171 W C 1.613 178.108 176.519 -0.040 0.000 1.206 171 W CA 4.131 61.464 57.345 -0.020 0.000 1.284 171 W CB -0.326 29.039 29.460 -0.158 0.000 1.145 171 W HN -0.204 8.237 8.180 0.434 0.000 0.502 172 H N -2.513 116.748 119.070 0.318 0.000 2.353 172 H HA -0.363 nan 4.556 nan 0.000 0.300 172 H C 2.210 177.549 175.328 0.018 0.000 1.090 172 H CA 4.238 60.380 56.048 0.158 0.000 1.327 172 H CB -0.264 29.599 29.762 0.168 0.000 1.383 172 H HN -0.305 7.972 8.280 0.119 0.074 0.508 173 W N 0.294 121.539 121.300 -0.092 0.000 2.358 173 W HA -0.455 nan 4.660 nan 0.000 0.303 173 W C 1.777 178.261 176.519 -0.059 0.000 1.208 173 W CA 4.908 62.181 57.345 -0.120 0.000 1.274 173 W CB -0.124 29.164 29.460 -0.287 0.000 1.138 173 W HN 0.522 8.791 8.180 0.149 0.000 0.515 174 H N -3.038 116.203 119.070 0.284 0.000 2.421 174 H HA -0.314 nan 4.556 nan 0.000 0.298 174 H C 2.527 177.827 175.328 -0.046 0.000 1.087 174 H CA 4.282 60.451 56.048 0.202 0.000 1.330 174 H CB -0.158 29.656 29.762 0.086 0.000 1.388 174 H HN -0.646 7.807 8.280 0.288 0.000 0.526 175 I N -0.714 119.782 120.570 -0.124 0.000 2.252 175 I HA -0.319 nan 4.170 nan 0.000 0.245 175 I C 1.639 177.702 176.117 -0.090 0.000 1.102 175 I CA 2.749 63.939 61.300 -0.182 0.000 1.385 175 I CB -0.182 37.681 38.000 -0.228 0.000 1.064 175 I HN -0.705 7.289 8.210 -0.147 0.128 0.414 176 V N -4.403 115.378 119.914 -0.222 0.000 2.427 176 V HA -0.220 nan 4.120 nan 0.000 0.248 176 V C 0.185 175.834 176.094 -0.742 0.000 1.051 176 V CA 2.893 64.933 62.300 -0.433 0.000 1.048 176 V CB 0.038 31.543 31.823 -0.532 0.000 0.666 176 V HN -0.535 7.455 8.190 -0.197 0.082 0.456 177 Y N -1.750 118.201 120.300 -0.581 0.000 2.842 177 Y HA 0.457 nan 4.550 nan 0.000 0.334 177 Y C -2.357 173.392 175.900 -0.252 0.000 1.019 177 Y CA -3.169 54.591 58.100 -0.567 0.000 1.258 177 Y CB -0.006 37.933 38.460 -0.868 0.000 1.106 177 Y HN -0.301 7.666 8.280 -0.522 0.000 0.545 178 P HA 0.076 nan 4.420 nan 0.000 0.278 178 P C -0.272 177.137 177.300 0.181 0.000 1.238 178 P CA -0.743 62.461 63.100 0.172 0.000 0.794 178 P CB 0.425 32.221 31.700 0.160 0.000 0.955 179 A N 3.545 126.476 122.820 0.184 0.000 1.930 179 A HA -0.206 nan 4.320 nan 0.000 0.217 179 A C 1.075 178.722 177.584 0.105 0.000 1.175 179 A CA 3.130 55.244 52.037 0.129 0.000 0.627 179 A CB -0.479 18.574 19.000 0.089 0.000 0.815 179 A HN 0.571 8.847 8.150 0.209 0.000 0.443 180 T N -5.812 108.802 114.554 0.100 0.000 3.035 180 T HA -0.204 nan 4.350 nan 0.000 0.268 180 T C 0.850 175.583 174.700 0.056 0.000 1.109 180 T CA 0.135 62.280 62.100 0.076 0.000 1.119 180 T CB -0.452 68.490 68.868 0.123 0.000 0.900 180 T HN 0.018 8.298 8.240 0.110 0.026 0.503 181 W N 3.505 124.728 121.300 -0.128 0.000 2.513 181 W HA -0.383 nan 4.660 nan 0.000 0.339 181 W C -1.774 174.664 176.519 -0.134 0.000 1.257 181 W CA 1.287 58.517 57.345 -0.193 0.000 1.280 181 W CB -0.177 29.172 29.460 -0.186 0.000 1.214 181 W HN -0.748 7.373 8.180 0.231 0.198 0.567 182 N N 8.034 126.382 118.700 -0.586 0.000 2.479 182 N HA 0.341 nan 4.740 nan 0.000 0.261 182 N C -1.661 173.470 175.510 -0.632 0.000 0.979 182 N CA -3.080 49.725 53.050 -0.408 0.000 0.930 182 N CB 1.988 40.300 38.487 -0.292 0.000 1.172 182 N HN -0.057 7.794 8.380 -0.881 0.000 0.499 183 P HA -0.059 nan 4.420 nan 0.000 0.221 183 P C 0.858 178.054 177.300 -0.174 0.000 1.150 183 P CA 1.756 64.757 63.100 -0.164 0.000 0.800 183 P CB 0.452 32.228 31.700 0.127 0.000 0.787 184 T N -4.962 109.502 114.554 -0.150 0.000 2.737 184 T HA -0.237 nan 4.350 nan 0.000 0.265 184 T C 1.550 176.155 174.700 -0.157 0.000 1.038 184 T CA 3.032 65.064 62.100 -0.113 0.000 1.144 184 T CB -0.525 68.294 68.868 -0.082 0.000 0.866 184 T HN 0.333 8.767 8.240 -0.145 -0.281 0.434 185 V N 1.475 121.252 119.914 -0.229 0.000 2.261 185 V HA -0.282 nan 4.120 nan 0.000 0.246 185 V C 1.945 177.867 176.094 -0.288 0.000 1.047 185 V CA 2.792 64.953 62.300 -0.233 0.000 1.015 185 V CB -0.240 31.425 31.823 -0.265 0.000 0.642 185 V HN -0.491 7.756 8.190 -0.245 -0.205 0.446 186 M N -2.422 116.889 119.600 -0.481 0.000 2.132 186 M HA -0.151 nan 4.480 nan 0.000 0.263 186 M C 1.439 177.600 176.300 -0.230 0.000 1.065 186 M CA 1.416 56.417 55.300 -0.498 0.000 1.122 186 M CB 0.368 32.450 32.600 -0.863 0.000 1.365 186 M HN -0.310 7.611 8.290 -0.616 0.000 0.411 187 G N -3.194 105.503 108.800 -0.171 0.000 2.345 187 G HA2 -0.397 nan 3.960 nan 0.000 0.218 187 G HA3 -0.397 nan 3.960 nan 0.000 0.218 187 G C -1.638 173.266 174.900 0.006 0.000 1.058 187 G CA 0.373 45.436 45.100 -0.061 0.000 0.632 187 G HN 0.132 8.084 8.290 -0.227 0.202 0.508 188 K N 0.828 121.257 120.400 0.049 0.000 2.087 188 K HA 0.165 nan 4.320 nan 0.000 0.255 188 K C -1.309 175.475 176.600 0.307 0.000 0.988 188 K CA -1.297 55.085 56.287 0.159 0.000 0.915 188 K CB 1.012 33.629 32.500 0.195 0.000 1.043 188 K HN -0.289 7.858 8.250 -0.007 0.099 0.457 189 E N -0.919 119.432 120.200 0.251 0.000 2.277 189 E HA 0.209 nan 4.350 nan 0.000 0.266 189 E C -0.886 175.760 176.600 0.075 0.000 0.901 189 E CA -1.971 54.599 56.400 0.283 0.000 0.782 189 E CB 2.193 32.002 29.700 0.182 0.000 1.228 189 E HN 0.045 8.502 8.360 0.163 0.000 0.424 190 K N 1.142 121.470 120.400 -0.119 0.000 2.262 190 K HA 0.136 nan 4.320 nan 0.000 0.282 190 K C -0.645 175.962 176.600 0.012 0.000 1.066 190 K CA -1.486 54.670 56.287 -0.218 0.000 0.901 190 K CB 0.199 32.420 32.500 -0.465 0.000 1.089 190 K HN 0.388 8.593 8.250 -0.075 0.000 0.476 191 D N 4.237 124.677 120.400 0.067 0.000 2.425 191 D HA -0.103 nan 4.640 nan 0.000 0.247 191 D C 0.087 176.459 176.300 0.121 0.000 1.147 191 D CA 0.880 54.940 54.000 0.099 0.000 0.879 191 D CB 0.436 41.298 40.800 0.103 0.000 1.179 191 D HN 0.315 8.712 8.370 0.045 0.000 0.456 192 R N 0.499 121.057 120.500 0.098 0.000 3.416 192 R HA -0.446 nan 4.340 nan 0.000 0.263 192 R C 0.548 176.878 176.300 0.049 0.000 1.053 192 R CA 1.083 57.230 56.100 0.078 0.000 0.705 192 R CB -2.366 27.972 30.300 0.064 0.000 1.124 192 R HN 0.724 9.052 8.270 0.097 0.000 0.444 193 K N -1.560 118.879 120.400 0.064 0.000 2.097 193 K HA -0.223 nan 4.320 nan 0.000 0.205 193 K C 1.669 178.317 176.600 0.080 0.000 1.050 193 K CA 2.772 59.062 56.287 0.006 0.000 0.938 193 K CB -0.633 31.948 32.500 0.136 0.000 0.718 193 K HN -0.359 7.943 8.250 0.086 0.000 0.442 194 G N -0.670 108.201 108.800 0.119 0.000 2.418 194 G HA2 -0.322 nan 3.960 nan 0.000 0.217 194 G HA3 -0.322 nan 3.960 nan 0.000 0.217 194 G C 0.876 175.917 174.900 0.235 0.000 1.158 194 G CA 2.051 47.254 45.100 0.171 0.000 0.771 194 G HN -0.164 8.346 8.290 0.099 -0.161 0.545 195 E N 1.582 121.877 120.200 0.159 0.000 2.106 195 E HA -0.184 nan 4.350 nan 0.000 0.192 195 E C 1.889 178.607 176.600 0.196 0.000 0.984 195 E CA 2.181 58.681 56.400 0.166 0.000 0.806 195 E CB -0.248 29.505 29.700 0.089 0.000 0.750 195 E HN -0.607 7.921 8.360 0.117 -0.098 0.458 196 L N 0.026 121.315 121.223 0.110 0.000 2.093 196 L HA -0.333 nan 4.340 nan 0.000 0.208 196 L C 1.255 178.261 176.870 0.228 0.000 1.085 196 L CA 3.138 58.035 54.840 0.097 0.000 0.755 196 L CB -0.285 41.703 42.059 -0.120 0.000 0.904 196 L HN -0.039 8.152 8.230 0.059 0.075 0.435 197 F N 0.701 120.772 119.950 0.201 0.000 2.095 197 F HA -0.482 nan 4.527 nan 0.000 0.298 197 F C 1.163 176.968 175.800 0.008 0.000 1.104 197 F CA 4.173 62.293 58.000 0.199 0.000 1.232 197 F CB -0.064 39.063 39.000 0.213 0.000 0.987 197 F HN 0.215 8.677 8.300 0.410 0.084 0.475 198 F N 0.267 120.119 119.950 -0.165 0.000 2.102 198 F HA -0.484 nan 4.527 nan 0.000 0.298 198 F C 0.801 176.346 175.800 -0.424 0.000 1.105 198 F CA 3.727 61.361 58.000 -0.610 0.000 1.239 198 F CB -0.104 38.435 39.000 -0.768 0.000 0.991 198 F HN -0.475 7.943 8.300 0.336 0.083 0.474 199 Y N -0.112 119.835 120.300 -0.588 0.000 2.163 199 Y HA -0.529 nan 4.550 nan 0.000 0.288 199 Y C 1.513 177.040 175.900 -0.623 0.000 1.136 199 Y CA 3.803 61.525 58.100 -0.631 0.000 1.147 199 Y CB 0.109 38.436 38.460 -0.221 0.000 0.987 199 Y HN 0.082 8.329 8.280 0.072 0.077 0.509 200 M N -0.746 118.512 119.600 -0.569 0.000 2.086 200 M HA -0.469 nan 4.480 nan 0.000 0.261 200 M C 1.908 177.664 176.300 -0.906 0.000 1.067 200 M CA 2.732 57.557 55.300 -0.792 0.000 1.116 200 M CB -0.415 31.577 32.600 -1.013 0.000 1.348 200 M HN 0.329 8.426 8.290 -0.321 0.000 0.407 201 H N -1.630 116.937 119.070 -0.838 0.000 2.389 201 H HA -0.266 nan 4.556 nan 0.000 0.299 201 H C 2.503 177.520 175.328 -0.519 0.000 1.081 201 H CA 4.621 60.315 56.048 -0.590 0.000 1.345 201 H CB -0.336 29.103 29.762 -0.539 0.000 1.393 201 H HN -0.499 7.339 8.280 -0.737 0.000 0.520 202 Q N -0.567 118.839 119.800 -0.656 0.000 2.084 202 Q HA -0.356 nan 4.340 nan 0.000 0.202 202 Q C 2.395 178.079 176.000 -0.527 0.000 0.978 202 Q CA 3.332 58.771 55.803 -0.606 0.000 0.844 202 Q CB -0.351 27.820 28.738 -0.946 0.000 0.898 202 Q HN -0.195 7.442 8.270 -0.888 0.101 0.426 203 Q N -0.696 118.639 119.800 -0.776 0.000 2.124 203 Q HA -0.272 nan 4.340 nan 0.000 0.202 203 Q C 2.640 178.311 176.000 -0.547 0.000 0.977 203 Q CA 2.698 58.052 55.803 -0.748 0.000 0.850 203 Q CB -0.313 27.721 28.738 -1.173 0.000 0.901 203 Q HN 0.018 7.683 8.270 -1.008 0.000 0.429 204 M N -0.081 119.237 119.600 -0.469 0.000 2.117 204 M HA -0.393 nan 4.480 nan 0.000 0.262 204 M C 2.302 178.652 176.300 0.084 0.000 1.065 204 M CA 4.390 59.612 55.300 -0.130 0.000 1.114 204 M CB -0.080 32.523 32.600 0.004 0.000 1.361 204 M HN -0.139 7.732 8.290 -0.579 0.072 0.408 205 C N -1.006 118.328 119.300 0.055 0.000 2.446 205 C HA -0.342 nan 4.460 nan 0.000 0.277 205 C C 1.828 176.849 174.990 0.051 0.000 1.275 205 C CA 4.046 63.165 59.018 0.169 0.000 1.727 205 C CB -2.107 25.709 27.740 0.127 0.000 2.010 205 C HN -0.107 8.092 8.230 -0.051 0.000 0.486 206 A N -0.037 122.737 122.820 -0.077 0.000 1.902 206 A HA -0.338 nan 4.320 nan 0.000 0.217 206 A C 1.933 179.453 177.584 -0.108 0.000 1.181 206 A CA 3.370 55.347 52.037 -0.100 0.000 0.623 206 A CB -0.951 17.967 19.000 -0.137 0.000 0.818 206 A HN 0.572 8.464 8.150 -0.144 0.171 0.443 207 R N -1.953 118.473 120.500 -0.123 0.000 2.096 207 R HA -0.353 nan 4.340 nan 0.000 0.235 207 R C 2.270 178.412 176.300 -0.264 0.000 1.127 207 R CA 3.168 59.204 56.100 -0.108 0.000 0.968 207 R CB -0.048 30.263 30.300 0.018 0.000 0.861 207 R HN 0.228 8.293 8.270 -0.149 0.116 0.440 208 Y N 1.057 121.075 120.300 -0.470 0.000 2.181 208 Y HA -0.427 nan 4.550 nan 0.000 0.288 208 Y C 1.379 176.970 175.900 -0.516 0.000 1.146 208 Y CA 3.248 60.867 58.100 -0.801 0.000 1.164 208 Y CB -0.095 37.873 38.460 -0.820 0.000 0.982 208 Y HN -0.096 8.069 8.280 -0.054 0.082 0.515 209 D N -1.695 118.537 120.400 -0.279 0.000 2.178 209 D HA -0.340 nan 4.640 nan 0.000 0.201 209 D C 2.619 178.763 176.300 -0.261 0.000 0.980 209 D CA 3.333 57.179 54.000 -0.257 0.000 0.842 209 D CB -0.834 39.900 40.800 -0.110 0.000 0.948 209 D HN 0.191 8.434 8.370 -0.098 0.068 0.472 210 S N -1.242 114.338 115.700 -0.199 0.000 2.423 210 S HA -0.245 nan 4.470 nan 0.000 0.231 210 S C 1.921 176.464 174.600 -0.094 0.000 1.014 210 S CA 3.440 61.598 58.200 -0.070 0.000 0.965 210 S CB -0.240 62.966 63.200 0.009 0.000 0.785 210 S HN -0.303 7.802 8.310 -0.192 0.089 0.495 211 E N 1.454 121.484 120.200 -0.283 0.000 2.072 211 E HA -0.258 nan 4.350 nan 0.000 0.191 211 E C 2.604 179.046 176.600 -0.264 0.000 0.985 211 E CA 2.825 59.075 56.400 -0.250 0.000 0.801 211 E CB -0.453 28.954 29.700 -0.487 0.000 0.750 211 E HN -0.507 7.457 8.360 -0.439 0.132 0.452 212 R N -0.581 119.650 120.500 -0.447 0.000 2.081 212 R HA -0.280 nan 4.340 nan 0.000 0.235 212 R C 2.728 178.928 176.300 -0.168 0.000 1.131 212 R CA 3.315 59.212 56.100 -0.337 0.000 0.960 212 R CB -0.134 29.944 30.300 -0.371 0.000 0.856 212 R HN -0.456 7.360 8.270 -0.631 0.076 0.436 213 L N -1.178 119.964 121.223 -0.135 0.000 2.083 213 L HA -0.269 nan 4.340 nan 0.000 0.209 213 L C 2.732 179.579 176.870 -0.037 0.000 1.083 213 L CA 3.120 57.913 54.840 -0.079 0.000 0.752 213 L CB -0.575 41.439 42.059 -0.075 0.000 0.899 213 L HN -0.046 8.082 8.230 -0.170 0.000 0.433 214 S N 0.603 116.316 115.700 0.020 0.000 2.382 214 S HA -0.378 nan 4.470 nan 0.000 0.228 214 S C 1.633 176.246 174.600 0.020 0.000 1.027 214 S CA 3.961 62.209 58.200 0.080 0.000 0.991 214 S CB -0.429 62.855 63.200 0.139 0.000 0.823 214 S HN -0.022 8.186 8.310 0.004 0.105 0.469 215 N N -2.078 116.617 118.700 -0.009 0.000 2.396 215 N HA -0.230 nan 4.740 nan 0.000 0.180 215 N C 0.314 175.809 175.510 -0.026 0.000 1.028 215 N CA 1.400 54.442 53.050 -0.014 0.000 0.893 215 N CB 0.303 38.773 38.487 -0.029 0.000 0.967 215 N HN -0.231 8.027 8.380 -0.030 0.104 0.440 216 G N -2.589 106.185 108.800 -0.042 0.000 2.144 216 G HA2 -0.265 nan 3.960 nan 0.000 0.218 216 G HA3 -0.265 nan 3.960 nan 0.000 0.218 216 G C -0.757 174.117 174.900 -0.043 0.000 0.988 216 G CA -0.106 44.966 45.100 -0.045 0.000 0.659 216 G HN -0.431 7.643 8.290 -0.049 0.187 0.522 217 L N -1.049 120.141 121.223 -0.056 0.000 2.375 217 L HA 0.293 nan 4.340 nan 0.000 0.268 217 L C -0.603 176.232 176.870 -0.060 0.000 1.058 217 L CA -1.279 53.530 54.840 -0.053 0.000 0.803 217 L CB 1.857 43.876 42.059 -0.066 0.000 1.212 217 L HN 0.199 8.249 8.230 -0.068 0.139 0.451 218 Q N -2.333 117.443 119.800 -0.040 0.000 2.318 218 Q HA 0.144 nan 4.340 nan 0.000 0.222 218 Q C -0.560 175.414 176.000 -0.043 0.000 1.003 218 Q CA -0.766 55.016 55.803 -0.036 0.000 0.936 218 Q CB 1.117 29.846 28.738 -0.015 0.000 1.204 218 Q HN 0.038 8.293 8.270 -0.026 0.000 0.524 219 R N -0.800 119.678 120.500 -0.036 0.000 2.641 219 R HA -0.066 nan 4.340 nan 0.000 0.269 219 R C 0.106 176.419 176.300 0.021 0.000 1.074 219 R CA 0.073 56.156 56.100 -0.029 0.000 1.133 219 R CB 0.590 30.873 30.300 -0.027 0.000 1.029 219 R HN -0.276 8.164 8.270 -0.036 -0.192 0.488 220 M N 1.516 121.158 119.600 0.070 0.000 2.248 220 M HA -0.068 nan 4.480 nan 0.000 0.337 220 M C 0.489 176.854 176.300 0.109 0.000 1.121 220 M CA 0.283 55.663 55.300 0.132 0.000 1.155 220 M CB 0.583 33.321 32.600 0.229 0.000 1.514 220 M HN 0.083 8.596 8.290 0.065 -0.183 0.452 221 I N 2.853 123.492 120.570 0.115 0.000 2.525 221 I HA 0.448 nan 4.170 nan 0.000 0.301 221 I C -1.783 174.418 176.117 0.139 0.000 0.992 221 I CA -3.488 57.873 61.300 0.101 0.000 1.162 221 I CB 1.820 39.867 38.000 0.079 0.000 1.332 221 I HN -0.044 8.243 8.210 0.128 0.000 0.458 222 P HA 0.085 nan 4.420 nan 0.000 0.274 222 P C -1.420 176.012 177.300 0.221 0.000 1.231 222 P CA -0.865 62.352 63.100 0.195 0.000 0.790 222 P CB 0.601 32.417 31.700 0.193 0.000 0.951 223 F N 4.238 124.235 119.950 0.078 0.000 2.541 223 F HA 0.023 nan 4.527 nan 0.000 0.351 223 F C -0.691 174.995 175.800 -0.191 0.000 1.209 223 F CA -1.393 56.574 58.000 -0.056 0.000 1.277 223 F CB -0.227 38.706 39.000 -0.111 0.000 1.632 223 F HN -0.110 8.315 8.300 0.334 0.075 0.619 224 H N 6.027 124.952 119.070 -0.242 0.000 2.363 224 H HA -0.180 nan 4.556 nan 0.000 0.301 224 H C -0.762 174.352 175.328 -0.357 0.000 1.074 224 H CA 2.419 58.436 56.048 -0.052 0.000 1.354 224 H CB 0.713 30.524 29.762 0.082 0.000 1.397 224 H HN -0.478 7.770 8.280 0.037 0.054 0.516 225 N N -2.404 116.030 118.700 -0.443 0.000 2.426 225 N HA -0.059 nan 4.740 nan 0.000 0.275 225 N C 1.163 176.226 175.510 -0.745 0.000 1.019 225 N CA -1.110 51.753 53.050 -0.311 0.000 0.941 225 N CB 0.361 38.772 38.487 -0.127 0.000 1.123 225 N HN -0.406 7.616 8.380 -0.597 0.000 0.486 226 F N 5.102 124.841 119.950 -0.351 0.000 2.234 226 F HA -0.257 nan 4.527 nan 0.000 0.299 226 F C 0.966 176.786 175.800 0.033 0.000 1.087 226 F CA 3.041 61.015 58.000 -0.043 0.000 1.340 226 F CB 0.191 39.197 39.000 0.011 0.000 1.031 226 F HN 0.659 9.184 8.300 0.373 0.000 0.500 227 D N -3.231 117.237 120.400 0.112 0.000 2.144 227 D HA -0.184 nan 4.640 nan 0.000 0.200 227 D C 1.067 177.401 176.300 0.057 0.000 0.978 227 D CA 2.248 56.292 54.000 0.074 0.000 0.833 227 D CB -0.004 40.820 40.800 0.039 0.000 0.961 227 D HN 0.133 8.917 8.370 0.107 -0.350 0.470 228 E N -0.101 120.099 120.200 -0.001 0.000 2.413 228 E HA 0.023 nan 4.350 nan 0.000 0.263 228 E C -1.816 174.877 176.600 0.155 0.000 1.015 228 E CA -1.067 55.356 56.400 0.038 0.000 0.916 228 E CB -0.872 28.810 29.700 -0.030 0.000 0.947 228 E HN -0.826 7.437 8.360 -0.117 0.027 0.440 229 P HA 0.158 nan 4.420 nan 0.000 0.275 229 P C -1.485 175.906 177.300 0.152 0.000 1.228 229 P CA -0.243 62.929 63.100 0.119 0.000 0.786 229 P CB 0.638 32.374 31.700 0.060 0.000 0.927 230 L N 1.243 122.549 121.223 0.138 0.000 2.399 230 L HA 0.159 nan 4.340 nan 0.000 0.265 230 L C -0.124 176.809 176.870 0.106 0.000 1.089 230 L CA -0.618 54.289 54.840 0.112 0.000 0.802 230 L CB 0.825 42.907 42.059 0.038 0.000 1.180 230 L HN 0.244 8.458 8.230 0.141 0.101 0.454 231 E N 0.068 120.330 120.200 0.104 0.000 2.366 231 E HA -0.015 nan 4.350 nan 0.000 0.266 231 E C 0.017 176.692 176.600 0.125 0.000 1.051 231 E CA 0.050 56.515 56.400 0.108 0.000 0.884 231 E CB 0.645 30.416 29.700 0.118 0.000 1.006 231 E HN 0.075 8.494 8.360 0.099 0.000 0.417 232 G N 0.183 109.061 108.800 0.130 0.000 2.476 232 G HA2 0.164 nan 3.960 nan 0.000 0.286 232 G HA3 0.164 nan 3.960 nan 0.000 0.286 232 G C -2.037 172.995 174.900 0.220 0.000 1.177 232 G CA -0.407 44.782 45.100 0.149 0.000 0.870 232 G HN 0.089 8.445 8.290 0.111 0.000 0.528 233 Y N 1.400 121.738 120.300 0.063 0.000 2.441 233 Y HA 0.081 nan 4.550 nan 0.000 0.334 233 Y C -2.308 173.619 175.900 0.044 0.000 1.061 233 Y CA -0.292 57.848 58.100 0.066 0.000 1.032 233 Y CB 3.640 42.138 38.460 0.063 0.000 1.266 233 Y HN -0.073 8.320 8.280 0.188 0.000 0.441 234 A N 7.968 130.344 122.820 -0.740 0.000 2.291 234 A HA 0.505 nan 4.320 nan 0.000 0.311 234 A C -1.823 175.277 177.584 -0.807 0.000 1.224 234 A CA -3.555 48.129 52.037 -0.588 0.000 0.821 234 A CB 0.676 19.386 19.000 -0.484 0.000 1.172 234 A HN 0.478 8.055 8.150 -0.954 0.000 0.494 235 P HA -0.115 nan 4.420 nan 0.000 0.220 235 P C -0.790 176.567 177.300 0.095 0.000 1.152 235 P CA 0.990 64.057 63.100 -0.056 0.000 0.812 235 P CB 0.349 32.126 31.700 0.129 0.000 0.792 236 H N -5.664 113.402 119.070 -0.007 0.000 2.756 236 H HA -0.318 nan 4.556 nan 0.000 0.315 236 H C -1.591 173.789 175.328 0.086 0.000 1.210 236 H CA 0.298 56.368 56.048 0.036 0.000 1.150 236 H CB -1.870 27.908 29.762 0.027 0.000 1.463 236 H HN 0.267 8.324 8.280 -0.372 0.000 0.427 237 L N -2.886 118.458 121.223 0.202 0.000 2.346 237 L HA 0.589 nan 4.340 nan 0.000 0.274 237 L C -0.494 176.509 176.870 0.222 0.000 1.007 237 L CA -0.846 54.139 54.840 0.240 0.000 0.818 237 L CB 2.379 44.645 42.059 0.347 0.000 1.284 237 L HN -0.328 8.008 8.230 0.175 0.000 0.424 238 T N -1.488 113.168 114.554 0.170 0.000 2.940 238 T HA 0.572 nan 4.350 nan 0.000 0.288 238 T C -0.383 174.367 174.700 0.084 0.000 1.033 238 T CA -2.223 59.938 62.100 0.101 0.000 1.033 238 T CB 2.211 71.131 68.868 0.086 0.000 1.079 238 T HN 0.327 8.674 8.240 0.178 0.000 0.496 239 S N 1.577 117.284 115.700 0.012 0.000 2.474 239 S HA 0.431 nan 4.470 nan 0.000 0.321 239 S C 1.544 176.173 174.600 0.048 0.000 1.080 239 S CA -2.055 56.156 58.200 0.018 0.000 1.106 239 S CB 1.193 64.349 63.200 -0.074 0.000 0.984 239 S HN 0.508 8.713 8.310 -0.012 0.098 0.464 240 L N 3.312 124.590 121.223 0.093 0.000 2.265 240 L HA -0.174 nan 4.340 nan 0.000 0.215 240 L C 0.707 177.624 176.870 0.079 0.000 1.117 240 L CA 2.412 57.306 54.840 0.089 0.000 0.782 240 L CB -0.742 41.383 42.059 0.111 0.000 0.914 240 L HN -0.071 8.482 8.230 0.125 -0.248 0.441 241 V N -6.245 113.724 119.914 0.092 0.000 2.392 241 V HA -0.224 nan 4.120 nan 0.000 0.249 241 V C 0.533 176.660 176.094 0.055 0.000 1.059 241 V CA 1.404 63.755 62.300 0.086 0.000 1.051 241 V CB -0.169 31.715 31.823 0.102 0.000 0.658 241 V HN 0.054 8.252 8.190 0.105 0.055 0.455 242 S N -0.724 115.000 115.700 0.040 0.000 2.903 242 S HA 0.260 nan 4.470 nan 0.000 0.314 242 S C 0.125 174.736 174.600 0.020 0.000 1.177 242 S CA -0.671 57.544 58.200 0.025 0.000 0.859 242 S CB 1.324 64.533 63.200 0.016 0.000 1.265 242 S HN -0.606 7.565 8.310 0.040 0.163 0.584 243 G N -0.485 108.323 108.800 0.013 0.000 2.838 243 G HA2 0.148 nan 3.960 nan 0.000 0.210 243 G HA3 0.148 nan 3.960 nan 0.000 0.210 243 G C -0.356 174.547 174.900 0.004 0.000 1.153 243 G CA 0.294 45.401 45.100 0.013 0.000 0.778 243 G HN 0.320 8.617 8.290 0.011 0.000 0.539 244 L N 1.147 122.365 121.223 -0.009 0.000 2.475 244 L HA 0.193 nan 4.340 nan 0.000 0.253 244 L C -0.681 176.154 176.870 -0.058 0.000 1.198 244 L CA 0.353 55.175 54.840 -0.031 0.000 0.814 244 L CB 1.147 43.184 42.059 -0.038 0.000 1.134 244 L HN -0.606 7.545 8.230 -0.007 0.075 0.478 245 Q N -3.368 116.383 119.800 -0.081 0.000 2.626 245 Q HA 0.361 nan 4.340 nan 0.000 0.300 245 Q C -1.719 174.199 176.000 -0.138 0.000 0.988 245 Q CA -1.794 53.956 55.803 -0.089 0.000 0.761 245 Q CB 3.201 31.945 28.738 0.010 0.000 1.494 245 Q HN -0.165 8.066 8.270 -0.065 0.000 0.439 246 Y N -0.552 119.760 120.300 0.020 0.000 2.442 246 Y HA -0.205 nan 4.550 nan 0.000 0.330 246 Y C -0.199 175.699 175.900 -0.003 0.000 1.129 246 Y CA 0.802 58.914 58.100 0.021 0.000 1.365 246 Y CB 0.434 38.917 38.460 0.037 0.000 1.233 246 Y HN -0.424 7.950 8.280 0.156 0.000 0.529 247 A N 5.436 128.331 122.820 0.125 0.000 2.425 247 A HA 0.058 nan 4.320 nan 0.000 0.249 247 A C -1.321 176.293 177.584 0.050 0.000 1.084 247 A CA -0.252 51.813 52.037 0.047 0.000 0.781 247 A CB 0.826 19.831 19.000 0.009 0.000 1.019 247 A HN -0.249 7.979 8.150 0.130 0.000 0.490 248 S N 0.938 116.634 115.700 -0.007 0.000 2.645 248 S HA 0.336 nan 4.470 nan 0.000 0.266 248 S C -0.587 174.022 174.600 0.016 0.000 1.258 248 S CA -0.599 57.586 58.200 -0.025 0.000 0.990 248 S CB 1.254 64.387 63.200 -0.111 0.000 0.967 248 S HN -0.069 8.223 8.310 -0.030 0.000 0.556 249 R N 0.604 121.135 120.500 0.051 0.000 2.480 249 R HA 0.565 nan 4.340 nan 0.000 0.306 249 R C -2.560 173.815 176.300 0.125 0.000 0.958 249 R CA -2.994 53.172 56.100 0.110 0.000 0.861 249 R CB 2.328 32.705 30.300 0.128 0.000 1.171 249 R HN 0.188 8.483 8.270 0.042 0.000 0.445 250 P HA 0.028 nan 4.420 nan 0.000 0.276 250 P C -1.444 175.923 177.300 0.110 0.000 1.252 250 P CA -0.786 62.370 63.100 0.093 0.000 0.802 250 P CB 0.565 32.284 31.700 0.032 0.000 1.035 251 E N 0.257 120.485 120.200 0.046 0.000 2.416 251 E HA -0.272 nan 4.350 nan 0.000 0.254 251 E C 0.661 177.218 176.600 -0.072 0.000 1.241 251 E CA -0.067 56.352 56.400 0.032 0.000 0.969 251 E CB -0.068 29.650 29.700 0.031 0.000 0.999 251 E HN -0.020 8.361 8.360 0.035 0.000 0.481 252 G N -1.147 107.626 108.800 -0.045 0.000 2.143 252 G HA2 -0.434 nan 3.960 nan 0.000 0.249 252 G HA3 -0.434 nan 3.960 nan 0.000 0.249 252 G C -1.426 173.378 174.900 -0.160 0.000 0.981 252 G CA 0.080 45.115 45.100 -0.107 0.000 0.665 252 G HN 0.121 8.422 8.290 0.018 0.000 0.528 253 Y N 0.569 120.882 120.300 0.023 0.000 2.367 253 Y HA -0.006 nan 4.550 nan 0.000 0.342 253 Y C -1.201 174.684 175.900 -0.025 0.000 0.979 253 Y CA -1.883 56.221 58.100 0.007 0.000 1.161 253 Y CB 0.957 39.429 38.460 0.020 0.000 1.155 253 Y HN -0.859 7.433 8.280 0.089 0.042 0.503 254 S N 3.524 119.295 115.700 0.119 0.000 2.632 254 S HA 0.226 nan 4.470 nan 0.000 0.267 254 S C -1.035 173.500 174.600 -0.108 0.000 1.276 254 S CA -1.424 56.793 58.200 0.028 0.000 0.998 254 S CB 0.923 64.123 63.200 0.000 0.000 0.953 254 S HN 0.303 8.674 8.310 0.102 0.000 0.547 255 I N 3.876 124.419 120.570 -0.045 0.000 2.496 255 I HA -0.015 nan 4.170 nan 0.000 0.285 255 I C -1.744 174.313 176.117 -0.100 0.000 1.080 255 I CA -0.549 60.715 61.300 -0.061 0.000 1.404 255 I CB 0.686 38.694 38.000 0.014 0.000 1.403 255 I HN 0.198 8.437 8.210 0.049 0.000 0.539 256 H N 7.470 126.551 119.070 0.019 0.000 2.533 256 H HA 0.203 nan 4.556 nan 0.000 0.343 256 H C -1.073 174.255 175.328 -0.000 0.000 1.160 256 H CA -1.075 54.984 56.048 0.017 0.000 1.218 256 H CB 1.894 31.658 29.762 0.004 0.000 1.566 256 H HN 0.268 8.587 8.280 0.065 0.000 0.522 257 D N 1.007 121.487 120.400 0.135 0.000 2.399 257 D HA 0.161 nan 4.640 nan 0.000 0.241 257 D C -0.707 175.619 176.300 0.043 0.000 1.133 257 D CA 0.564 54.588 54.000 0.040 0.000 0.890 257 D CB 0.652 41.454 40.800 0.003 0.000 1.201 257 D HN 0.149 8.618 8.370 0.164 0.000 0.432 258 L N 0.011 121.241 121.223 0.011 0.000 2.304 258 L HA 0.361 nan 4.340 nan 0.000 0.268 258 L C 1.061 177.934 176.870 0.006 0.000 1.010 258 L CA -1.407 53.453 54.840 0.033 0.000 0.813 258 L CB 2.160 44.264 42.059 0.075 0.000 1.315 258 L HN -0.563 7.647 8.230 -0.032 0.000 0.445 259 S N 1.571 117.287 115.700 0.027 0.000 2.382 259 S HA -0.226 nan 4.470 nan 0.000 0.228 259 S C 0.849 175.455 174.600 0.010 0.000 1.027 259 S CA 3.233 61.442 58.200 0.014 0.000 0.991 259 S CB -0.005 63.209 63.200 0.024 0.000 0.823 259 S HN 0.884 9.222 8.310 0.046 0.000 0.469 260 D N -2.034 118.399 120.400 0.054 0.000 2.144 260 D HA -0.105 nan 4.640 nan 0.000 0.199 260 D C -0.718 175.494 176.300 -0.146 0.000 0.984 260 D CA 2.083 56.137 54.000 0.089 0.000 0.834 260 D CB 0.662 41.704 40.800 0.403 0.000 0.955 260 D HN 0.184 8.583 8.370 0.086 0.022 0.465 261 V N -3.485 116.232 119.914 -0.328 0.000 3.279 261 V HA 0.155 nan 4.120 nan 0.000 0.281 261 V C -2.668 173.190 176.094 -0.393 0.000 1.601 261 V CA -1.380 60.608 62.300 -0.521 0.000 1.044 261 V CB 3.919 35.020 31.823 -1.203 0.000 1.205 261 V HN -0.735 7.326 8.190 -0.215 0.000 0.464 262 D N 0.013 120.182 120.400 -0.384 0.000 2.531 262 D HA 0.488 nan 4.640 nan 0.000 0.244 262 D C 0.591 176.731 176.300 -0.267 0.000 1.090 262 D CA -1.443 52.403 54.000 -0.258 0.000 0.989 262 D CB 2.867 43.547 40.800 -0.201 0.000 1.433 262 D HN -0.540 7.706 8.370 -0.483 -0.166 0.492 263 V N -1.234 118.580 119.914 -0.166 0.000 2.392 263 V HA -0.388 nan 4.120 nan 0.000 0.249 263 V C 1.471 177.364 176.094 -0.334 0.000 1.059 263 V CA 4.483 66.682 62.300 -0.167 0.000 1.051 263 V CB -0.635 31.153 31.823 -0.058 0.000 0.658 263 V HN 0.355 8.781 8.190 -0.111 -0.303 0.455 264 Q N -0.398 119.218 119.800 -0.306 0.000 2.135 264 Q HA -0.446 nan 4.340 nan 0.000 0.204 264 Q C 1.855 177.555 176.000 -0.499 0.000 0.981 264 Q CA 3.612 59.209 55.803 -0.344 0.000 0.856 264 Q CB -0.568 28.014 28.738 -0.260 0.000 0.902 264 Q HN -0.245 7.962 8.270 -0.246 -0.085 0.425 265 D N -0.595 119.424 120.400 -0.635 0.000 2.144 265 D HA -0.225 nan 4.640 nan 0.000 0.199 265 D C 2.267 177.751 176.300 -1.361 0.000 0.984 265 D CA 3.214 56.545 54.000 -1.115 0.000 0.834 265 D CB -0.618 39.388 40.800 -1.324 0.000 0.955 265 D HN -0.330 7.872 8.370 -0.520 -0.143 0.465 266 M N -0.863 118.276 119.600 -0.768 0.000 2.117 266 M HA -0.271 nan 4.480 nan 0.000 0.262 266 M C 2.357 178.446 176.300 -0.350 0.000 1.065 266 M CA 2.714 57.830 55.300 -0.308 0.000 1.114 266 M CB -0.669 31.855 32.600 -0.128 0.000 1.361 266 M HN -0.413 7.371 8.290 -0.615 0.136 0.408 267 V N -0.271 119.299 119.914 -0.573 0.000 2.261 267 V HA -0.529 nan 4.120 nan 0.000 0.246 267 V C 2.109 178.044 176.094 -0.266 0.000 1.047 267 V CA 4.420 66.451 62.300 -0.448 0.000 1.015 267 V CB -1.366 30.204 31.823 -0.421 0.000 0.642 267 V HN -0.102 7.609 8.190 -0.622 0.106 0.446 268 R N -0.731 119.553 120.500 -0.359 0.000 2.115 268 R HA -0.462 nan 4.340 nan 0.000 0.239 268 R C 2.204 178.429 176.300 -0.125 0.000 1.133 268 R CA 3.628 59.556 56.100 -0.286 0.000 0.935 268 R CB -0.366 29.681 30.300 -0.422 0.000 0.853 268 R HN 0.001 7.993 8.270 -0.464 0.000 0.433 269 W N -2.825 118.403 121.300 -0.121 0.000 2.325 269 W HA -0.281 nan 4.660 nan 0.000 0.299 269 W C 2.331 178.842 176.519 -0.013 0.000 1.215 269 W CA 1.724 59.024 57.345 -0.076 0.000 1.244 269 W CB -1.108 28.363 29.460 0.018 0.000 1.140 269 W HN -0.192 7.704 8.180 -0.473 0.000 0.523 270 R N -0.658 119.973 120.500 0.218 0.000 2.075 270 R HA -0.395 nan 4.340 nan 0.000 0.232 270 R C 2.091 178.445 176.300 0.089 0.000 1.126 270 R CA 3.759 59.960 56.100 0.168 0.000 0.963 270 R CB -0.206 30.202 30.300 0.180 0.000 0.858 270 R HN -0.320 7.933 8.270 0.156 0.111 0.435 271 E N -1.224 118.998 120.200 0.037 0.000 2.110 271 E HA -0.308 nan 4.350 nan 0.000 0.193 271 E C 2.786 179.420 176.600 0.056 0.000 0.988 271 E CA 2.564 58.982 56.400 0.029 0.000 0.804 271 E CB -0.769 28.929 29.700 -0.004 0.000 0.745 271 E HN -0.059 8.204 8.360 0.004 0.099 0.458 272 R N -0.719 119.795 120.500 0.023 0.000 2.073 272 R HA -0.264 nan 4.340 nan 0.000 0.234 272 R C 2.732 179.152 176.300 0.200 0.000 1.134 272 R CA 3.262 59.343 56.100 -0.032 0.000 0.952 272 R CB -0.021 30.034 30.300 -0.409 0.000 0.850 272 R HN 0.022 8.273 8.270 0.001 0.019 0.433 273 I N -0.228 120.474 120.570 0.220 0.000 2.208 273 I HA -0.512 nan 4.170 nan 0.000 0.245 273 I C 1.801 177.998 176.117 0.133 0.000 1.097 273 I CA 3.895 65.309 61.300 0.190 0.000 1.363 273 I CB -0.227 37.806 38.000 0.055 0.000 1.051 273 I HN 0.023 8.336 8.210 0.173 0.000 0.413 274 L N -1.692 119.588 121.223 0.095 0.000 2.046 274 L HA -0.525 nan 4.340 nan 0.000 0.208 274 L C 1.921 178.834 176.870 0.073 0.000 1.077 274 L CA 3.399 58.276 54.840 0.061 0.000 0.747 274 L CB -0.735 41.352 42.059 0.046 0.000 0.896 274 L HN -0.621 7.657 8.230 0.092 0.008 0.432 275 D N -0.945 119.526 120.400 0.118 0.000 2.092 275 D HA -0.399 nan 4.640 nan 0.000 0.193 275 D C 1.626 178.005 176.300 0.133 0.000 0.994 275 D CA 3.562 57.636 54.000 0.123 0.000 0.828 275 D CB -0.200 40.712 40.800 0.187 0.000 0.963 275 D HN -0.322 8.129 8.370 0.136 0.000 0.450 276 A N -1.028 121.932 122.820 0.233 0.000 1.917 276 A HA -0.309 nan 4.320 nan 0.000 0.219 276 A C 2.254 179.916 177.584 0.130 0.000 1.182 276 A CA 3.053 55.244 52.037 0.257 0.000 0.633 276 A CB -0.670 18.541 19.000 0.352 0.000 0.819 276 A HN -0.716 7.614 8.150 0.300 0.000 0.448 277 I N -2.352 118.264 120.570 0.077 0.000 2.142 277 I HA -0.637 nan 4.170 nan 0.000 0.240 277 I C 2.718 178.744 176.117 -0.152 0.000 1.078 277 I CA 4.264 65.580 61.300 0.026 0.000 1.343 277 I CB -0.522 37.508 38.000 0.049 0.000 1.046 277 I HN -0.227 8.036 8.210 0.097 0.006 0.405 278 N N 0.677 119.282 118.700 -0.160 0.000 2.166 278 N HA -0.247 nan 4.740 nan 0.000 0.186 278 N C 1.727 176.896 175.510 -0.567 0.000 1.019 278 N CA 2.809 55.688 53.050 -0.284 0.000 0.856 278 N CB -0.016 38.395 38.487 -0.127 0.000 0.993 278 N HN -0.263 8.007 8.380 -0.059 0.074 0.426 279 M N -3.237 116.142 119.600 -0.368 0.000 2.618 279 M HA -0.069 nan 4.480 nan 0.000 0.240 279 M C -0.889 175.061 176.300 -0.584 0.000 1.123 279 M CA 0.803 55.842 55.300 -0.435 0.000 1.060 279 M CB -0.163 32.377 32.600 -0.098 0.000 1.535 279 M HN 0.191 8.379 8.290 -0.169 0.000 0.507 280 H N -6.279 112.737 119.070 -0.089 0.000 3.395 280 H HA -0.440 nan 4.556 nan 0.000 0.222 280 H C -1.340 174.087 175.328 0.166 0.000 1.099 280 H CA 1.996 58.022 56.048 -0.036 0.000 1.182 280 H CB -2.503 27.177 29.762 -0.137 0.000 1.188 280 H HN 0.029 7.733 8.280 -0.614 0.207 0.317 281 Y N -7.153 113.197 120.300 0.083 0.000 2.424 281 Y HA 0.498 nan 4.550 nan 0.000 0.323 281 Y C -2.555 173.410 175.900 0.108 0.000 1.174 281 Y CA -2.917 55.241 58.100 0.097 0.000 1.060 281 Y CB 1.491 40.006 38.460 0.092 0.000 1.314 281 Y HN -0.327 8.052 8.280 0.232 0.039 0.439 282 I N -0.601 120.114 120.570 0.242 0.000 2.488 282 I HA 0.474 nan 4.170 nan 0.000 0.299 282 I C -1.129 175.079 176.117 0.153 0.000 0.984 282 I CA -2.187 59.263 61.300 0.250 0.000 1.250 282 I CB 3.082 41.188 38.000 0.178 0.000 1.389 282 I HN 0.576 8.908 8.210 0.204 0.000 0.488 283 V N 1.153 121.200 119.914 0.221 0.000 2.389 283 V HA 0.195 nan 4.120 nan 0.000 0.264 283 V C -0.384 175.780 176.094 0.117 0.000 1.049 283 V CA -1.479 60.842 62.300 0.036 0.000 0.932 283 V CB -1.707 30.026 31.823 -0.148 0.000 1.011 283 V HN -0.155 8.306 8.190 0.451 0.000 0.475 284 D N 7.110 127.539 120.400 0.049 0.000 2.393 284 D HA 0.146 nan 4.640 nan 0.000 0.246 284 D C 1.986 178.305 176.300 0.031 0.000 1.275 284 D CA -0.364 53.673 54.000 0.063 0.000 0.979 284 D CB 1.194 42.009 40.800 0.025 0.000 1.101 284 D HN 0.487 8.743 8.370 -0.011 0.107 0.505 285 K N 0.565 120.988 120.400 0.038 0.000 2.097 285 K HA -0.287 nan 4.320 nan 0.000 0.206 285 K C 0.872 177.468 176.600 -0.006 0.000 1.049 285 K CA 2.850 59.149 56.287 0.021 0.000 0.933 285 K CB -0.554 31.962 32.500 0.028 0.000 0.717 285 K HN 0.258 8.539 8.250 0.052 0.000 0.442 286 D N -5.456 114.939 120.400 -0.008 0.000 2.350 286 D HA -0.147 nan 4.640 nan 0.000 0.216 286 D C -0.191 176.086 176.300 -0.038 0.000 0.968 286 D CA 0.129 54.118 54.000 -0.020 0.000 0.894 286 D CB -1.093 39.697 40.800 -0.017 0.000 0.909 286 D HN -0.316 8.029 8.370 -0.000 0.024 0.520 287 N N -3.145 115.524 118.700 -0.051 0.000 2.901 287 N HA -0.459 nan 4.740 nan 0.000 0.248 287 N C -1.383 174.069 175.510 -0.097 0.000 1.044 287 N CA 1.210 54.210 53.050 -0.083 0.000 0.847 287 N CB -1.448 36.991 38.487 -0.080 0.000 1.127 287 N HN 0.059 8.205 8.380 -0.039 0.211 0.562 288 N N -0.826 117.825 118.700 -0.082 0.000 2.476 288 N HA 0.120 nan 4.740 nan 0.000 0.275 288 N C -1.324 174.099 175.510 -0.146 0.000 1.190 288 N CA 0.141 53.130 53.050 -0.102 0.000 0.977 288 N CB 1.698 40.147 38.487 -0.063 0.000 1.200 288 N HN 0.036 8.712 8.380 -0.060 -0.332 0.515 289 K N 0.382 120.646 120.400 -0.227 0.000 2.182 289 K HA 0.635 nan 4.320 nan 0.000 0.262 289 K C -1.036 175.486 176.600 -0.130 0.000 0.957 289 K CA -0.963 55.134 56.287 -0.317 0.000 0.842 289 K CB 1.365 33.312 32.500 -0.921 0.000 1.099 289 K HN 0.033 8.159 8.250 -0.206 0.000 0.438 290 I N -0.744 119.810 120.570 -0.027 0.000 2.474 290 I HA 0.626 nan 4.170 nan 0.000 0.294 290 I C -2.405 173.787 176.117 0.126 0.000 1.005 290 I CA -3.581 57.743 61.300 0.039 0.000 1.113 290 I CB 2.228 40.245 38.000 0.030 0.000 1.289 290 I HN 0.553 8.652 8.210 -0.012 0.104 0.436 291 P HA 0.211 nan 4.420 nan 0.000 0.275 291 P C -0.842 176.589 177.300 0.218 0.000 1.228 291 P CA -0.554 62.678 63.100 0.220 0.000 0.786 291 P CB 0.297 32.117 31.700 0.200 0.000 0.927 292 L N 3.237 124.618 121.223 0.264 0.000 2.399 292 L HA -0.037 nan 4.340 nan 0.000 0.257 292 L C -0.468 176.634 176.870 0.388 0.000 1.236 292 L CA -0.729 54.317 54.840 0.344 0.000 1.144 292 L CB -1.404 40.953 42.059 0.496 0.000 1.379 292 L HN 0.170 8.561 8.230 0.269 0.000 0.414 293 D N 3.636 124.242 120.400 0.345 0.000 2.361 293 D HA -0.004 nan 4.640 nan 0.000 0.239 293 D C 1.028 177.574 176.300 0.410 0.000 1.200 293 D CA -0.145 54.061 54.000 0.342 0.000 0.915 293 D CB 2.324 43.351 40.800 0.379 0.000 1.170 293 D HN -0.321 8.182 8.370 0.300 0.047 0.444 294 I N 1.356 122.127 120.570 0.335 0.000 2.036 294 I HA -0.465 nan 4.170 nan 0.000 0.231 294 I C 1.862 178.032 176.117 0.089 0.000 1.044 294 I CA 3.512 65.004 61.300 0.321 0.000 1.315 294 I CB 0.090 38.217 38.000 0.211 0.000 1.051 294 I HN 0.118 8.485 8.210 0.261 0.000 0.391 295 E N -0.939 119.241 120.200 -0.034 0.000 2.031 295 E HA -0.315 nan 4.350 nan 0.000 0.193 295 E C 2.182 178.731 176.600 -0.085 0.000 0.994 295 E CA 2.870 59.192 56.400 -0.130 0.000 0.800 295 E CB -0.045 29.506 29.700 -0.248 0.000 0.752 295 E HN 0.325 8.660 8.360 -0.043 0.000 0.447 296 H N -1.810 117.313 119.070 0.088 0.000 2.387 296 H HA -0.230 nan 4.556 nan 0.000 0.299 296 H C 2.174 177.549 175.328 0.079 0.000 1.099 296 H CA 2.282 58.380 56.048 0.082 0.000 1.315 296 H CB -0.305 29.513 29.762 0.093 0.000 1.380 296 H HN 0.104 8.225 8.280 -0.265 0.000 0.513 297 G N -2.226 106.729 108.800 0.258 0.000 2.442 297 G HA2 -0.420 nan 3.960 nan 0.000 0.219 297 G HA3 -0.420 nan 3.960 nan 0.000 0.219 297 G C 0.873 175.732 174.900 -0.069 0.000 1.141 297 G CA 2.318 47.557 45.100 0.231 0.000 0.763 297 G HN 0.118 8.526 8.290 0.277 0.048 0.554 298 T N 3.378 117.913 114.554 -0.032 0.000 2.777 298 T HA -0.270 nan 4.350 nan 0.000 0.266 298 T C 1.545 176.251 174.700 0.010 0.000 1.040 298 T CA 4.755 66.804 62.100 -0.084 0.000 1.141 298 T CB -0.441 68.381 68.868 -0.076 0.000 0.868 298 T HN -0.539 7.705 8.240 0.033 0.016 0.444 299 D N 2.059 122.491 120.400 0.053 0.000 2.097 299 D HA -0.179 nan 4.640 nan 0.000 0.195 299 D C 1.640 177.978 176.300 0.064 0.000 0.989 299 D CA 2.955 57.006 54.000 0.084 0.000 0.827 299 D CB -0.303 40.561 40.800 0.107 0.000 0.966 299 D HN -0.278 8.005 8.370 0.063 0.125 0.456 300 I N -3.092 117.500 120.570 0.038 0.000 2.226 300 I HA -0.375 nan 4.170 nan 0.000 0.245 300 I C 1.589 177.674 176.117 -0.054 0.000 1.100 300 I CA 3.396 64.694 61.300 -0.003 0.000 1.374 300 I CB -0.309 37.690 38.000 -0.003 0.000 1.057 300 I HN -0.380 7.864 8.210 0.056 0.000 0.413 301 L N 0.399 121.571 121.223 -0.085 0.000 2.093 301 L HA -0.204 nan 4.340 nan 0.000 0.208 301 L C 1.849 178.737 176.870 0.030 0.000 1.085 301 L CA 2.717 57.482 54.840 -0.125 0.000 0.755 301 L CB -0.636 41.286 42.059 -0.227 0.000 0.904 301 L HN -0.488 7.598 8.230 -0.091 0.088 0.435 302 G N -2.405 106.509 108.800 0.191 0.000 2.418 302 G HA2 -0.492 nan 3.960 nan 0.000 0.217 302 G HA3 -0.492 nan 3.960 nan 0.000 0.217 302 G C 0.617 175.556 174.900 0.064 0.000 1.158 302 G CA 2.610 47.895 45.100 0.308 0.000 0.771 302 G HN 0.288 8.542 8.290 0.138 0.119 0.545 303 D N 1.231 121.641 120.400 0.017 0.000 2.144 303 D HA -0.305 nan 4.640 nan 0.000 0.200 303 D C 2.371 178.627 176.300 -0.074 0.000 0.978 303 D CA 2.834 56.815 54.000 -0.032 0.000 0.833 303 D CB -0.479 40.321 40.800 -0.001 0.000 0.961 303 D HN -0.274 8.120 8.370 0.040 0.000 0.470 304 I N -0.002 120.507 120.570 -0.101 0.000 2.286 304 I HA -0.359 nan 4.170 nan 0.000 0.245 304 I C 1.737 177.782 176.117 -0.120 0.000 1.104 304 I CA 3.655 64.863 61.300 -0.153 0.000 1.397 304 I CB 0.054 37.855 38.000 -0.332 0.000 1.072 304 I HN -0.718 7.434 8.210 -0.097 0.000 0.417 305 I N -0.921 119.595 120.570 -0.090 0.000 2.252 305 I HA -0.416 nan 4.170 nan 0.000 0.245 305 I C 1.084 177.208 176.117 0.011 0.000 1.102 305 I CA 1.711 63.000 61.300 -0.019 0.000 1.385 305 I CB -0.312 37.694 38.000 0.011 0.000 1.064 305 I HN 0.011 8.173 8.210 -0.080 0.000 0.414 306 E N -0.484 119.608 120.200 -0.179 0.000 2.023 306 E HA -0.391 nan 4.350 nan 0.000 0.196 306 E C -0.976 175.597 176.600 -0.045 0.000 1.003 306 E CA 3.879 60.063 56.400 -0.360 0.000 0.809 306 E CB 0.087 29.352 29.700 -0.726 0.000 0.755 306 E HN -0.441 7.797 8.360 -0.204 0.000 0.449 307 S N -3.880 111.776 115.700 -0.073 0.000 2.638 307 S HA 0.442 nan 4.470 nan 0.000 0.298 307 S C -0.615 173.932 174.600 -0.088 0.000 1.111 307 S CA -2.040 56.094 58.200 -0.109 0.000 1.027 307 S CB 2.396 65.541 63.200 -0.091 0.000 1.064 307 S HN -0.729 7.542 8.310 -0.065 0.000 0.525 308 S N 0.456 116.115 115.700 -0.068 0.000 2.738 308 S HA 0.441 nan 4.470 nan 0.000 0.284 308 S C 1.173 175.775 174.600 0.004 0.000 1.146 308 S CA -0.972 57.219 58.200 -0.014 0.000 0.997 308 S CB 2.198 65.410 63.200 0.020 0.000 1.081 308 S HN 0.625 8.771 8.310 -0.077 0.118 0.553 309 D N 1.643 122.062 120.400 0.032 0.000 2.219 309 D HA -0.141 nan 4.640 nan 0.000 0.205 309 D C 0.453 176.773 176.300 0.032 0.000 0.970 309 D CA 2.489 56.505 54.000 0.027 0.000 0.851 309 D CB -0.359 40.457 40.800 0.027 0.000 0.943 309 D HN 0.306 8.707 8.370 0.051 0.000 0.488 310 E N -2.661 117.567 120.200 0.047 0.000 2.338 310 E HA -0.112 nan 4.350 nan 0.000 0.197 310 E C -0.090 176.528 176.600 0.029 0.000 1.007 310 E CA 0.652 57.081 56.400 0.049 0.000 0.849 310 E CB 0.159 29.900 29.700 0.069 0.000 0.774 310 E HN -0.634 7.706 8.360 0.056 0.053 0.506 311 S N -1.267 114.441 115.700 0.014 0.000 2.593 311 S HA -0.253 nan 4.470 nan 0.000 0.300 311 S C 0.576 175.199 174.600 0.038 0.000 1.267 311 S CA 0.172 58.376 58.200 0.006 0.000 1.065 311 S CB 0.485 63.687 63.200 0.002 0.000 0.807 311 S HN -0.728 7.420 8.310 0.010 0.168 0.499 312 K N 3.759 124.184 120.400 0.041 0.000 2.148 312 K HA -0.229 nan 4.320 nan 0.000 0.204 312 K C -0.274 176.411 176.600 0.141 0.000 1.050 312 K CA 2.105 58.437 56.287 0.075 0.000 0.942 312 K CB 0.473 33.011 32.500 0.064 0.000 0.724 312 K HN -0.079 8.310 8.250 -0.001 -0.139 0.446 313 N N -3.474 115.376 118.700 0.249 0.000 2.500 313 N HA 0.150 nan 4.740 nan 0.000 0.291 313 N C 0.114 175.786 175.510 0.271 0.000 1.092 313 N CA -1.113 52.105 53.050 0.280 0.000 0.890 313 N CB 1.719 40.405 38.487 0.333 0.000 1.466 313 N HN -0.747 7.791 8.380 0.264 0.000 0.507 314 V N 0.564 120.557 119.914 0.133 0.000 2.591 314 V HA -0.013 nan 4.120 nan 0.000 0.249 314 V C 0.952 177.080 176.094 0.056 0.000 1.053 314 V CA 2.149 64.490 62.300 0.067 0.000 1.068 314 V CB -0.156 31.688 31.823 0.034 0.000 0.689 314 V HN 0.442 8.696 8.190 0.108 0.000 0.462 315 E N 0.359 120.615 120.200 0.094 0.000 2.102 315 E HA -0.296 nan 4.350 nan 0.000 0.190 315 E C 1.558 178.248 176.600 0.151 0.000 0.971 315 E CA 1.927 58.394 56.400 0.112 0.000 0.821 315 E CB -0.285 29.474 29.700 0.098 0.000 0.777 315 E HN -0.026 8.686 8.360 0.109 -0.287 0.460 316 Y N 0.834 121.105 120.300 -0.049 0.000 2.133 316 Y HA -0.403 nan 4.550 nan 0.000 0.287 316 Y C 1.704 177.526 175.900 -0.130 0.000 1.134 316 Y CA 3.387 61.392 58.100 -0.159 0.000 1.133 316 Y CB 0.372 38.585 38.460 -0.411 0.000 0.987 316 Y HN -0.622 7.997 8.280 0.170 -0.237 0.502 317 Y N -4.606 115.672 120.300 -0.036 0.000 2.314 317 Y HA -0.214 nan 4.550 nan 0.000 0.294 317 Y C 0.391 175.962 175.900 -0.548 0.000 1.119 317 Y CA 2.385 60.357 58.100 -0.213 0.000 1.179 317 Y CB 0.662 39.061 38.460 -0.102 0.000 1.025 317 Y HN -0.805 7.511 8.280 0.061 0.000 0.541 318 G N -2.265 106.221 108.800 -0.523 0.000 2.568 318 G HA2 -0.282 nan 3.960 nan 0.000 0.222 318 G HA3 -0.282 nan 3.960 nan 0.000 0.222 318 G C -2.700 171.770 174.900 -0.718 0.000 1.321 318 G CA -0.418 43.974 45.100 -1.181 0.000 0.893 318 G HN -0.370 7.695 8.290 -0.188 0.112 0.569 319 S N -1.179 114.081 115.700 -0.733 0.000 2.389 319 S HA 0.321 nan 4.470 nan 0.000 0.201 319 S C -0.223 174.410 174.600 0.055 0.000 1.422 319 S CA -0.981 57.085 58.200 -0.224 0.000 1.216 319 S CB 0.908 63.987 63.200 -0.202 0.000 1.130 319 S HN -0.115 7.416 8.310 -1.298 0.000 0.465 320 L N 6.171 127.495 121.223 0.169 0.000 1.994 320 L HA -0.252 nan 4.340 nan 0.000 0.208 320 L C 0.487 177.699 176.870 0.569 0.000 1.071 320 L CA 3.085 58.230 54.840 0.509 0.000 0.745 320 L CB -0.038 42.347 42.059 0.544 0.000 0.892 320 L HN 0.235 8.500 8.230 0.059 0.000 0.431 321 H N -0.358 118.963 119.070 0.417 0.000 2.293 321 H HA -0.403 nan 4.556 nan 0.000 0.300 321 H C 2.215 177.677 175.328 0.223 0.000 1.082 321 H CA 4.399 60.753 56.048 0.510 0.000 1.308 321 H CB 0.081 30.095 29.762 0.420 0.000 1.375 321 H HN -0.241 8.316 8.280 0.462 0.000 0.495 322 N N -0.854 117.987 118.700 0.235 0.000 2.120 322 N HA -0.335 nan 4.740 nan 0.000 0.188 322 N C 2.317 177.725 175.510 -0.170 0.000 1.024 322 N CA 3.010 56.102 53.050 0.070 0.000 0.852 322 N CB -0.527 37.985 38.487 0.042 0.000 1.003 322 N HN -0.227 8.338 8.380 0.309 0.000 0.424 323 W N -0.787 120.505 121.300 -0.013 0.000 2.374 323 W HA -0.206 nan 4.660 nan 0.000 0.288 323 W C 1.838 178.203 176.519 -0.256 0.000 1.218 323 W CA 2.865 60.190 57.345 -0.032 0.000 1.245 323 W CB -0.207 29.339 29.460 0.142 0.000 1.126 323 W HN -0.205 8.027 8.180 0.088 0.000 0.545 324 G N -2.003 106.572 108.800 -0.376 0.000 2.418 324 G HA2 -0.431 nan 3.960 nan 0.000 0.217 324 G HA3 -0.431 nan 3.960 nan 0.000 0.217 324 G C 0.994 175.289 174.900 -1.008 0.000 1.158 324 G CA 2.237 46.644 45.100 -1.155 0.000 0.771 324 G HN 0.193 8.269 8.290 -0.213 0.087 0.545 325 H N 2.286 120.787 119.070 -0.949 0.000 2.353 325 H HA -0.213 nan 4.556 nan 0.000 0.300 325 H C 2.552 177.669 175.328 -0.351 0.000 1.090 325 H CA 3.966 59.558 56.048 -0.761 0.000 1.327 325 H CB 0.123 29.154 29.762 -1.218 0.000 1.383 325 H HN -0.626 7.095 8.280 -0.732 0.120 0.508 326 V N 0.148 120.029 119.914 -0.056 0.000 2.295 326 V HA -0.456 nan 4.120 nan 0.000 0.246 326 V C 2.114 178.248 176.094 0.066 0.000 1.049 326 V CA 4.685 67.045 62.300 0.100 0.000 1.024 326 V CB -0.748 31.241 31.823 0.277 0.000 0.648 326 V HN -0.326 7.694 8.190 -0.096 0.113 0.447 327 M N -2.264 117.345 119.600 0.014 0.000 2.117 327 M HA -0.359 nan 4.480 nan 0.000 0.262 327 M C 2.007 178.240 176.300 -0.111 0.000 1.065 327 M CA 3.640 58.928 55.300 -0.021 0.000 1.114 327 M CB -0.063 32.502 32.600 -0.059 0.000 1.361 327 M HN 0.046 8.229 8.290 0.001 0.107 0.408 328 M N -1.899 117.556 119.600 -0.241 0.000 2.175 328 M HA -0.214 nan 4.480 nan 0.000 0.264 328 M C 2.707 178.929 176.300 -0.130 0.000 1.063 328 M CA 2.752 57.902 55.300 -0.250 0.000 1.119 328 M CB 0.293 32.661 32.600 -0.387 0.000 1.377 328 M HN -0.365 7.723 8.290 -0.336 0.000 0.415 329 A N -1.204 121.570 122.820 -0.078 0.000 1.933 329 A HA -0.242 nan 4.320 nan 0.000 0.218 329 A C 0.682 178.276 177.584 0.018 0.000 1.175 329 A CA 2.883 54.922 52.037 0.005 0.000 0.628 329 A CB -0.295 18.741 19.000 0.061 0.000 0.814 329 A HN 0.239 8.239 8.150 -0.100 0.090 0.444 330 N N -4.197 114.513 118.700 0.016 0.000 2.538 330 N HA 0.063 nan 4.740 nan 0.000 0.291 330 N C 0.137 175.632 175.510 -0.025 0.000 1.323 330 N CA -1.729 51.336 53.050 0.026 0.000 0.934 330 N CB -0.831 37.706 38.487 0.084 0.000 1.255 330 N HN -0.451 7.938 8.380 0.015 0.000 0.509 331 I N 0.887 121.404 120.570 -0.088 0.000 2.286 331 I HA -0.323 nan 4.170 nan 0.000 0.248 331 I C 0.487 176.397 176.117 -0.345 0.000 1.115 331 I CA 2.510 63.705 61.300 -0.175 0.000 1.392 331 I CB 0.135 38.007 38.000 -0.212 0.000 1.065 331 I HN -0.732 7.347 8.210 -0.075 0.085 0.418 332 T N -1.384 112.990 114.554 -0.300 0.000 2.788 332 T HA -0.247 nan 4.350 nan 0.000 0.268 332 T C -0.411 174.150 174.700 -0.230 0.000 1.044 332 T CA 2.788 64.687 62.100 -0.335 0.000 1.139 332 T CB -0.166 68.590 68.868 -0.188 0.000 0.867 332 T HN 0.115 8.217 8.240 -0.177 0.032 0.454 333 D N -1.532 118.819 120.400 -0.082 0.000 2.621 333 D HA 0.493 nan 4.640 nan 0.000 0.274 333 D C -0.751 175.596 176.300 0.077 0.000 1.215 333 D CA -2.782 51.254 54.000 0.060 0.000 0.810 333 D CB 0.262 41.150 40.800 0.147 0.000 1.248 333 D HN -0.869 7.374 8.370 -0.058 0.093 0.517 334 P HA -0.259 nan 4.420 nan 0.000 0.216 334 P C 0.626 177.969 177.300 0.071 0.000 1.150 334 P CA 1.956 65.082 63.100 0.043 0.000 0.837 334 P CB 0.350 32.058 31.700 0.014 0.000 0.786 335 D N -3.269 117.166 120.400 0.059 0.000 2.183 335 D HA -0.245 nan 4.640 nan 0.000 0.203 335 D C 0.248 176.636 176.300 0.147 0.000 0.969 335 D CA 0.738 54.774 54.000 0.061 0.000 0.842 335 D CB 0.292 41.095 40.800 0.005 0.000 0.957 335 D HN -0.260 8.113 8.370 0.042 0.023 0.484 336 H N -4.159 114.938 119.070 0.045 0.000 2.992 336 H HA -0.298 nan 4.556 nan 0.000 0.266 336 H C -0.563 174.770 175.328 0.009 0.000 1.200 336 H CA 0.760 56.839 56.048 0.051 0.000 1.135 336 H CB -1.054 28.727 29.762 0.032 0.000 1.282 336 H HN -0.353 8.087 8.280 0.174 -0.055 0.351 337 R N -3.187 117.279 120.500 -0.058 0.000 2.092 337 R HA -0.177 nan 4.340 nan 0.000 0.231 337 R C 0.997 177.105 176.300 -0.320 0.000 1.119 337 R CA 1.973 57.946 56.100 -0.212 0.000 0.970 337 R CB -0.074 30.023 30.300 -0.339 0.000 0.864 337 R HN -0.274 8.083 8.270 -0.015 -0.096 0.440 338 F N -0.113 119.755 119.950 -0.136 0.000 2.234 338 F HA -0.191 nan 4.527 nan 0.000 0.299 338 F C 0.225 175.897 175.800 -0.213 0.000 1.087 338 F CA 1.888 59.804 58.000 -0.139 0.000 1.340 338 F CB 0.330 39.264 39.000 -0.110 0.000 1.031 338 F HN -0.424 8.212 8.300 -0.064 -0.375 0.500 339 Q N -5.337 114.291 119.800 -0.286 0.000 2.470 339 Q HA -0.425 nan 4.340 nan 0.000 0.294 339 Q C -1.220 174.662 176.000 -0.198 0.000 1.356 339 Q CA 0.896 56.432 55.803 -0.445 0.000 0.805 339 Q CB -2.245 26.376 28.738 -0.195 0.000 1.157 339 Q HN -0.416 7.717 8.270 -0.384 -0.094 0.431 340 E N -2.005 118.108 120.200 -0.145 0.000 2.222 340 E HA 0.218 nan 4.350 nan 0.000 0.272 340 E C -1.341 175.250 176.600 -0.015 0.000 0.982 340 E CA -1.596 54.777 56.400 -0.046 0.000 0.842 340 E CB 1.880 31.561 29.700 -0.032 0.000 1.144 340 E HN -0.610 7.637 8.360 -0.188 0.000 0.397 341 N N 1.676 120.375 118.700 -0.002 0.000 2.467 341 N HA 0.229 nan 4.740 nan 0.000 0.262 341 N C -1.271 174.268 175.510 0.050 0.000 1.234 341 N CA -1.402 51.658 53.050 0.016 0.000 0.952 341 N CB -0.311 38.139 38.487 -0.061 0.000 1.158 341 N HN 0.212 8.581 8.380 -0.018 0.000 0.463 342 P HA 0.029 nan 4.420 nan 0.000 0.274 342 P C -0.759 176.670 177.300 0.214 0.000 1.256 342 P CA -0.423 62.752 63.100 0.125 0.000 0.795 342 P CB 0.876 32.648 31.700 0.120 0.000 1.038 343 G N -1.244 107.672 108.800 0.192 0.000 2.535 343 G HA2 0.206 nan 3.960 nan 0.000 0.282 343 G HA3 0.206 nan 3.960 nan 0.000 0.282 343 G C 0.541 175.572 174.900 0.218 0.000 1.350 343 G CA -1.611 43.621 45.100 0.220 0.000 1.039 343 G HN -0.263 7.994 8.290 0.125 0.107 0.509 344 V N -5.606 114.313 119.914 0.007 0.000 2.720 344 V HA -0.327 nan 4.120 nan 0.000 0.256 344 V C 1.856 177.943 176.094 -0.010 0.000 1.082 344 V CA 2.820 64.981 62.300 -0.231 0.000 1.101 344 V CB -0.416 31.277 31.823 -0.217 0.000 0.693 344 V HN 0.551 8.772 8.190 0.052 0.000 0.479 345 M N 0.533 120.183 119.600 0.083 0.000 2.279 345 M HA -0.306 nan 4.480 nan 0.000 0.264 345 M C 1.599 178.084 176.300 0.307 0.000 1.062 345 M CA 2.235 57.642 55.300 0.177 0.000 1.099 345 M CB -0.937 31.687 32.600 0.040 0.000 1.394 345 M HN -0.263 8.012 8.290 0.069 0.056 0.426 346 S N -0.613 115.230 115.700 0.238 0.000 2.447 346 S HA -0.282 nan 4.470 nan 0.000 0.233 346 S C -0.743 174.014 174.600 0.261 0.000 1.006 346 S CA 3.439 61.792 58.200 0.255 0.000 0.957 346 S CB 0.161 63.467 63.200 0.177 0.000 0.773 346 S HN -0.559 7.822 8.310 0.185 0.041 0.507 347 D N -2.554 117.998 120.400 0.253 0.000 2.350 347 D HA 0.342 nan 4.640 nan 0.000 0.245 347 D C -0.390 176.080 176.300 0.282 0.000 1.036 347 D CA -1.127 53.014 54.000 0.236 0.000 0.848 347 D CB 2.940 43.880 40.800 0.233 0.000 1.307 347 D HN -0.653 7.705 8.370 0.213 0.140 0.469 348 T N 4.062 118.773 114.554 0.262 0.000 2.915 348 T HA -0.077 nan 4.350 nan 0.000 0.269 348 T C 2.202 177.216 174.700 0.522 0.000 1.071 348 T CA 3.682 66.010 62.100 0.380 0.000 1.132 348 T CB -0.236 68.622 68.868 -0.017 0.000 0.878 348 T HN 0.349 8.721 8.240 0.219 0.000 0.479 349 S N 1.493 117.453 115.700 0.432 0.000 2.371 349 S HA -0.177 nan 4.470 nan 0.000 0.224 349 S C 0.973 175.541 174.600 -0.053 0.000 1.029 349 S CA 3.606 61.923 58.200 0.195 0.000 0.978 349 S CB 0.022 63.219 63.200 -0.006 0.000 0.833 349 S HN -0.256 8.619 8.310 0.493 -0.269 0.466 350 T N -5.142 109.363 114.554 -0.081 0.000 3.035 350 T HA 0.228 nan 4.350 nan 0.000 0.259 350 T C 2.391 177.001 174.700 -0.151 0.000 1.078 350 T CA 1.335 63.308 62.100 -0.211 0.000 1.132 350 T CB -0.071 68.557 68.868 -0.400 0.000 0.900 350 T HN -0.144 8.099 8.240 0.005 0.000 0.480 351 S N 4.314 120.005 115.700 -0.015 0.000 2.400 351 S HA -0.343 nan 4.470 nan 0.000 0.232 351 S C 2.078 176.538 174.600 -0.234 0.000 1.025 351 S CA 3.599 61.825 58.200 0.043 0.000 0.993 351 S CB -1.142 62.304 63.200 0.409 0.000 0.808 351 S HN 0.164 8.535 8.310 0.101 0.000 0.478 352 L N 1.687 122.599 121.223 -0.519 0.000 2.201 352 L HA -0.224 nan 4.340 nan 0.000 0.212 352 L C 1.688 178.311 176.870 -0.412 0.000 1.105 352 L CA 2.151 56.511 54.840 -0.800 0.000 0.775 352 L CB -0.762 40.908 42.059 -0.647 0.000 0.913 352 L HN -0.326 7.642 8.230 -0.384 0.032 0.440 353 R N -2.833 117.494 120.500 -0.288 0.000 2.092 353 R HA -0.278 nan 4.340 nan 0.000 0.231 353 R C 0.025 176.053 176.300 -0.453 0.000 1.119 353 R CA 2.174 58.128 56.100 -0.243 0.000 0.970 353 R CB -0.335 29.884 30.300 -0.135 0.000 0.864 353 R HN -0.119 7.950 8.270 -0.271 0.039 0.440 354 D N 0.714 120.837 120.400 -0.462 0.000 2.351 354 D HA 0.268 nan 4.640 nan 0.000 0.251 354 D C -0.779 175.359 176.300 -0.270 0.000 1.137 354 D CA -2.636 51.014 54.000 -0.584 0.000 0.879 354 D CB 0.792 41.446 40.800 -0.244 0.000 1.181 354 D HN -0.762 7.395 8.370 -0.306 0.029 0.448 355 P HA -0.029 nan 4.420 nan 0.000 0.223 355 P C 0.739 178.107 177.300 0.114 0.000 1.151 355 P CA 1.545 64.683 63.100 0.063 0.000 0.787 355 P CB 0.027 31.772 31.700 0.074 0.000 0.788 356 I N -5.145 115.435 120.570 0.017 0.000 2.454 356 I HA -0.409 nan 4.170 nan 0.000 0.254 356 I C 1.007 177.115 176.117 -0.015 0.000 1.156 356 I CA 2.928 64.224 61.300 -0.006 0.000 1.433 356 I CB -0.548 37.399 38.000 -0.087 0.000 1.082 356 I HN -0.577 7.870 8.210 -0.034 -0.257 0.432 357 F N 2.000 121.806 119.950 -0.239 0.000 2.091 357 F HA -0.488 nan 4.527 nan 0.000 0.299 357 F C 1.138 176.801 175.800 -0.228 0.000 1.103 357 F CA 4.547 62.369 58.000 -0.297 0.000 1.228 357 F CB -0.039 38.581 39.000 -0.632 0.000 0.984 357 F HN -0.510 7.650 8.300 0.012 0.147 0.477 358 Y N -3.185 117.232 120.300 0.196 0.000 2.200 358 Y HA -0.426 nan 4.550 nan 0.000 0.290 358 Y C 2.090 178.032 175.900 0.071 0.000 1.137 358 Y CA 4.026 62.162 58.100 0.061 0.000 1.163 358 Y CB -0.672 37.598 38.460 -0.317 0.000 0.988 358 Y HN -0.762 7.448 8.280 -0.086 0.018 0.518 359 R N -0.396 120.224 120.500 0.200 0.000 2.073 359 R HA -0.421 nan 4.340 nan 0.000 0.234 359 R C 2.246 178.653 176.300 0.179 0.000 1.134 359 R CA 3.535 59.754 56.100 0.198 0.000 0.952 359 R CB -0.159 30.262 30.300 0.202 0.000 0.850 359 R HN -0.628 7.670 8.270 0.185 0.083 0.433 360 W N -0.052 121.179 121.300 -0.115 0.000 2.381 360 W HA -0.329 nan 4.660 nan 0.000 0.301 360 W C 1.704 178.131 176.519 -0.153 0.000 1.205 360 W CA 3.716 60.924 57.345 -0.228 0.000 1.285 360 W CB 0.073 29.184 29.460 -0.582 0.000 1.133 360 W HN 0.075 8.323 8.180 0.112 0.000 0.521 361 H N -0.951 117.985 119.070 -0.225 0.000 2.423 361 H HA -0.283 nan 4.556 nan 0.000 0.297 361 H C 2.870 178.142 175.328 -0.093 0.000 1.075 361 H CA 5.088 61.012 56.048 -0.206 0.000 1.342 361 H CB -0.092 29.530 29.762 -0.234 0.000 1.395 361 H HN -0.111 8.179 8.280 0.017 0.000 0.530 362 R N -0.705 119.845 120.500 0.082 0.000 2.092 362 R HA -0.289 nan 4.340 nan 0.000 0.231 362 R C 2.052 178.364 176.300 0.019 0.000 1.119 362 R CA 2.484 58.634 56.100 0.084 0.000 0.970 362 R CB -0.848 29.527 30.300 0.124 0.000 0.864 362 R HN 0.331 8.570 8.270 0.124 0.105 0.440 363 F N 1.507 121.336 119.950 -0.202 0.000 2.102 363 F HA -0.317 nan 4.527 nan 0.000 0.298 363 F C 1.675 177.286 175.800 -0.314 0.000 1.105 363 F CA 3.533 61.358 58.000 -0.292 0.000 1.239 363 F CB 0.100 38.772 39.000 -0.547 0.000 0.991 363 F HN -0.598 7.646 8.300 0.047 0.084 0.474 364 I N -4.977 115.347 120.570 -0.411 0.000 2.315 364 I HA -0.549 nan 4.170 nan 0.000 0.248 364 I C 1.498 177.675 176.117 0.100 0.000 1.117 364 I CA 3.346 64.502 61.300 -0.239 0.000 1.404 364 I CB -0.634 37.357 38.000 -0.015 0.000 1.071 364 I HN -0.111 7.798 8.210 -0.500 0.000 0.419 365 D N 0.401 120.914 120.400 0.190 0.000 2.149 365 D HA -0.327 nan 4.640 nan 0.000 0.198 365 D C 2.174 178.653 176.300 0.298 0.000 0.990 365 D CA 3.199 57.441 54.000 0.404 0.000 0.839 365 D CB -0.326 40.585 40.800 0.185 0.000 0.948 365 D HN 0.162 8.354 8.370 0.050 0.208 0.460 366 N N -0.989 117.715 118.700 0.007 0.000 2.149 366 N HA -0.268 nan 4.740 nan 0.000 0.188 366 N C 2.413 177.852 175.510 -0.117 0.000 1.019 366 N CA 3.068 56.077 53.050 -0.069 0.000 0.857 366 N CB -0.155 38.212 38.487 -0.200 0.000 0.997 366 N HN -0.108 8.111 8.380 -0.082 0.112 0.426 367 I N -0.267 120.135 120.570 -0.281 0.000 2.226 367 I HA -0.522 nan 4.170 nan 0.000 0.245 367 I C 1.671 177.608 176.117 -0.300 0.000 1.100 367 I CA 3.671 64.749 61.300 -0.370 0.000 1.374 367 I CB -0.157 37.497 38.000 -0.576 0.000 1.057 367 I HN -0.437 7.427 8.210 -0.325 0.151 0.413 368 F N -1.773 118.156 119.950 -0.034 0.000 2.171 368 F HA -0.423 nan 4.527 nan 0.000 0.300 368 F C 2.316 178.087 175.800 -0.048 0.000 1.090 368 F CA 4.031 61.963 58.000 -0.114 0.000 1.293 368 F CB -0.774 38.043 39.000 -0.305 0.000 1.013 368 F HN -0.840 7.344 8.300 -0.065 0.077 0.486 369 Q N -1.896 118.024 119.800 0.199 0.000 2.124 369 Q HA -0.357 nan 4.340 nan 0.000 0.202 369 Q C 2.754 178.813 176.000 0.099 0.000 0.977 369 Q CA 3.027 58.920 55.803 0.150 0.000 0.850 369 Q CB -0.880 27.935 28.738 0.128 0.000 0.901 369 Q HN 0.180 8.495 8.270 0.241 0.099 0.429 370 E N -1.320 118.914 120.200 0.056 0.000 2.110 370 E HA -0.367 nan 4.350 nan 0.000 0.193 370 E C 2.216 178.864 176.600 0.080 0.000 0.988 370 E CA 3.059 59.482 56.400 0.038 0.000 0.804 370 E CB -0.292 29.408 29.700 -0.001 0.000 0.745 370 E HN -0.208 8.080 8.360 0.023 0.086 0.458 371 H N 0.059 119.150 119.070 0.034 0.000 2.353 371 H HA -0.234 nan 4.556 nan 0.000 0.300 371 H C 1.855 177.363 175.328 0.299 0.000 1.090 371 H CA 3.680 59.806 56.048 0.130 0.000 1.327 371 H CB -0.077 29.754 29.762 0.115 0.000 1.383 371 H HN -0.805 7.473 8.280 0.171 0.105 0.508 372 K N -2.228 118.322 120.400 0.250 0.000 2.147 372 K HA -0.311 nan 4.320 nan 0.000 0.205 372 K C 3.140 179.859 176.600 0.198 0.000 1.049 372 K CA 2.341 58.754 56.287 0.209 0.000 0.936 372 K CB -0.752 31.814 32.500 0.110 0.000 0.722 372 K HN -0.113 8.185 8.250 0.226 0.088 0.446 373 K N -0.509 119.946 120.400 0.092 0.000 2.097 373 K HA -0.248 nan 4.320 nan 0.000 0.206 373 K C 1.539 178.103 176.600 -0.061 0.000 1.049 373 K CA 2.775 59.070 56.287 0.015 0.000 0.933 373 K CB -0.308 32.189 32.500 -0.005 0.000 0.717 373 K HN 0.095 8.273 8.250 0.093 0.128 0.442 374 S N -1.632 113.994 115.700 -0.123 0.000 2.447 374 S HA -0.184 nan 4.470 nan 0.000 0.233 374 S C 0.366 174.669 174.600 -0.494 0.000 1.006 374 S CA 2.035 60.038 58.200 -0.328 0.000 0.957 374 S CB 0.370 63.299 63.200 -0.451 0.000 0.773 374 S HN -0.554 7.593 8.310 -0.072 0.120 0.507 375 F N 1.980 121.783 119.950 -0.245 0.000 2.382 375 F HA -0.008 nan 4.527 nan 0.000 0.331 375 F C 0.101 175.755 175.800 -0.243 0.000 1.121 375 F CA 1.002 58.880 58.000 -0.202 0.000 1.183 375 F CB 1.033 39.943 39.000 -0.149 0.000 1.207 375 F HN -0.662 7.547 8.300 0.161 0.188 0.555 376 H N 1.744 120.826 119.070 0.020 0.000 2.607 376 H HA 0.162 nan 4.556 nan 0.000 0.367 376 H C -1.618 173.637 175.328 -0.121 0.000 1.181 376 H CA -0.600 55.422 56.048 -0.044 0.000 1.402 376 H CB 0.276 30.013 29.762 -0.042 0.000 1.474 376 H HN 0.077 8.501 8.280 0.241 0.000 0.596 377 P HA 0.063 nan 4.420 nan 0.000 0.277 377 P C -1.433 175.795 177.300 -0.120 0.000 1.276 377 P CA -0.258 62.791 63.100 -0.086 0.000 0.788 377 P CB 0.647 32.371 31.700 0.040 0.000 1.114 378 Y N -0.777 119.622 120.300 0.165 0.000 2.320 378 Y HA 0.099 nan 4.550 nan 0.000 0.334 378 Y C 0.433 176.397 175.900 0.107 0.000 1.055 378 Y CA 0.250 58.446 58.100 0.160 0.000 1.143 378 Y CB 0.955 39.544 38.460 0.214 0.000 1.193 378 Y HN 0.234 8.616 8.280 0.169 0.000 0.477 379 T N 4.877 119.576 114.554 0.241 0.000 2.816 379 T HA 0.235 nan 4.350 nan 0.000 0.282 379 T C 0.549 175.302 174.700 0.088 0.000 0.993 379 T CA -0.746 61.426 62.100 0.120 0.000 0.994 379 T CB 1.321 70.241 68.868 0.087 0.000 1.025 379 T HN 0.249 8.652 8.240 0.272 0.000 0.529 380 K N 1.175 121.585 120.400 0.017 0.000 2.147 380 K HA -0.345 nan 4.320 nan 0.000 0.205 380 K C 2.279 178.888 176.600 0.015 0.000 1.049 380 K CA 3.143 59.416 56.287 -0.023 0.000 0.936 380 K CB 0.008 32.485 32.500 -0.039 0.000 0.722 380 K HN 0.304 8.559 8.250 0.009 0.000 0.446 381 E N -1.565 118.656 120.200 0.035 0.000 2.058 381 E HA -0.311 nan 4.350 nan 0.000 0.194 381 E C 1.117 177.758 176.600 0.068 0.000 0.997 381 E CA 2.843 59.267 56.400 0.040 0.000 0.801 381 E CB -0.627 29.097 29.700 0.040 0.000 0.746 381 E HN 0.082 8.450 8.360 0.033 0.012 0.450 382 E N -2.165 118.102 120.200 0.112 0.000 2.072 382 E HA -0.166 nan 4.350 nan 0.000 0.191 382 E C 1.725 178.406 176.600 0.134 0.000 0.985 382 E CA 2.189 58.669 56.400 0.133 0.000 0.801 382 E CB -0.168 29.689 29.700 0.261 0.000 0.750 382 E HN -0.605 7.744 8.360 0.130 0.089 0.452 383 L N -3.130 118.176 121.223 0.139 0.000 2.044 383 L HA -0.196 nan 4.340 nan 0.000 0.205 383 L C 0.796 177.740 176.870 0.122 0.000 1.075 383 L CA 1.999 56.924 54.840 0.142 0.000 0.747 383 L CB 0.331 42.390 42.059 0.001 0.000 0.903 383 L HN -0.673 7.629 8.230 0.120 0.000 0.435 384 S N -3.135 112.609 115.700 0.073 0.000 2.572 384 S HA -0.049 nan 4.470 nan 0.000 0.279 384 S C -0.885 173.805 174.600 0.150 0.000 1.341 384 S CA 0.837 59.083 58.200 0.077 0.000 1.043 384 S CB 0.691 63.900 63.200 0.015 0.000 0.887 384 S HN -0.246 8.000 8.310 0.056 0.098 0.516 385 F N 5.489 125.441 119.950 0.003 0.000 2.434 385 F HA 0.376 nan 4.527 nan 0.000 0.355 385 F C -2.709 173.090 175.800 -0.002 0.000 1.115 385 F CA -3.404 54.599 58.000 0.005 0.000 1.010 385 F CB 2.871 41.876 39.000 0.009 0.000 1.234 385 F HN -0.442 8.177 8.300 0.215 -0.190 0.439 386 P HA 0.060 nan 4.420 nan 0.000 0.275 386 P C -0.579 176.476 177.300 -0.410 0.000 1.228 386 P CA -0.051 62.845 63.100 -0.341 0.000 0.786 386 P CB 0.469 32.020 31.700 -0.249 0.000 0.927 387 G N 0.546 109.234 108.800 -0.188 0.000 2.253 387 G HA2 -0.306 nan 3.960 nan 0.000 0.251 387 G HA3 -0.306 nan 3.960 nan 0.000 0.251 387 G C -1.196 173.682 174.900 -0.038 0.000 0.998 387 G CA 0.557 45.584 45.100 -0.122 0.000 0.621 387 G HN 0.093 8.305 8.290 -0.130 0.000 0.524 388 V N 1.492 121.415 119.914 0.015 0.000 2.435 388 V HA 0.405 nan 4.120 nan 0.000 0.290 388 V C -1.422 174.720 176.094 0.080 0.000 1.030 388 V CA -0.781 61.601 62.300 0.137 0.000 0.881 388 V CB 0.672 32.722 31.823 0.380 0.000 0.983 388 V HN -0.729 7.346 8.190 -0.043 0.089 0.445 389 E N 6.957 127.184 120.200 0.045 0.000 2.272 389 E HA 0.437 nan 4.350 nan 0.000 0.269 389 E C -1.587 175.016 176.600 0.006 0.000 0.877 389 E CA -1.640 54.772 56.400 0.019 0.000 0.755 389 E CB 4.742 34.445 29.700 0.006 0.000 1.192 389 E HN 0.334 8.720 8.360 0.044 0.000 0.422 390 V N 6.745 126.652 119.914 -0.011 0.000 2.348 390 V HA 0.275 nan 4.120 nan 0.000 0.270 390 V C -0.102 175.979 176.094 -0.022 0.000 1.037 390 V CA -0.008 62.273 62.300 -0.030 0.000 0.872 390 V CB -0.597 31.188 31.823 -0.063 0.000 1.002 390 V HN 0.307 8.490 8.190 -0.012 0.000 0.464 391 V N 8.089 127.993 119.914 -0.016 0.000 2.323 391 V HA -0.014 nan 4.120 nan 0.000 0.244 391 V C 0.189 176.279 176.094 -0.007 0.000 1.041 391 V CA 1.784 64.079 62.300 -0.008 0.000 1.025 391 V CB 0.472 32.293 31.823 -0.004 0.000 0.656 391 V HN 0.671 8.850 8.190 -0.017 0.000 0.451 392 G N -4.536 104.257 108.800 -0.010 0.000 2.489 392 G HA2 0.151 nan 3.960 nan 0.000 0.291 392 G HA3 0.151 nan 3.960 nan 0.000 0.291 392 G C -3.244 171.656 174.900 0.000 0.000 1.487 392 G CA 0.633 45.732 45.100 -0.002 0.000 0.795 392 G HN -0.821 7.459 8.290 -0.017 0.000 0.513 393 V N -0.919 119.004 119.914 0.015 0.000 2.925 393 V HA 0.704 nan 4.120 nan 0.000 0.311 393 V C -1.452 174.680 176.094 0.062 0.000 1.104 393 V CA -1.574 60.748 62.300 0.038 0.000 0.954 393 V CB 3.504 35.346 31.823 0.032 0.000 1.022 393 V HN 0.280 8.482 8.190 0.020 0.000 0.427 394 S N 2.481 118.236 115.700 0.090 0.000 2.546 394 S HA 0.690 nan 4.470 nan 0.000 0.274 394 S C -1.882 172.786 174.600 0.114 0.000 1.121 394 S CA -1.084 57.165 58.200 0.081 0.000 0.887 394 S CB 3.505 66.736 63.200 0.052 0.000 1.094 394 S HN 0.308 8.681 8.310 0.106 0.000 0.474 395 I N -1.591 119.024 120.570 0.074 0.000 2.404 395 I HA 0.650 nan 4.170 nan 0.000 0.293 395 I C -1.792 174.325 176.117 0.001 0.000 0.992 395 I CA -2.108 59.208 61.300 0.026 0.000 1.149 395 I CB 1.280 39.240 38.000 -0.066 0.000 1.315 395 I HN 0.359 8.896 8.210 0.054 -0.295 0.446 396 N N 8.139 126.845 118.700 0.010 0.000 2.400 396 N HA 0.438 nan 4.740 nan 0.000 0.288 396 N C -1.459 174.081 175.510 0.049 0.000 1.024 396 N CA 0.197 53.261 53.050 0.023 0.000 0.894 396 N CB 2.233 40.734 38.487 0.023 0.000 1.173 396 N HN 0.573 8.845 8.380 0.003 0.109 0.487 397 S N 2.758 118.479 115.700 0.036 0.000 2.929 397 S HA 0.197 nan 4.470 nan 0.000 0.311 397 S C -0.710 173.902 174.600 0.021 0.000 1.213 397 S CA -0.411 57.819 58.200 0.049 0.000 0.908 397 S CB 2.271 65.496 63.200 0.041 0.000 1.287 397 S HN 0.024 8.346 8.310 0.018 0.000 0.594 398 K N 1.996 122.403 120.400 0.011 0.000 2.032 398 K HA -0.148 nan 4.320 nan 0.000 0.209 398 K C 0.006 176.602 176.600 -0.006 0.000 1.048 398 K CA 1.834 58.119 56.287 -0.004 0.000 0.927 398 K CB 0.281 32.770 32.500 -0.019 0.000 0.712 398 K HN 0.061 8.661 8.250 0.017 -0.340 0.441 399 T N 0.436 114.985 114.554 -0.008 0.000 2.807 399 T HA 0.186 nan 4.350 nan 0.000 0.279 399 T C -1.535 173.162 174.700 -0.006 0.000 0.993 399 T CA -0.674 61.421 62.100 -0.008 0.000 0.970 399 T CB 1.972 70.833 68.868 -0.012 0.000 0.950 399 T HN -0.166 8.073 8.240 -0.009 -0.005 0.441 400 A N 4.002 126.821 122.820 -0.001 0.000 2.462 400 A HA -0.083 nan 4.320 nan 0.000 0.243 400 A C 0.159 177.742 177.584 -0.002 0.000 1.076 400 A CA 0.776 52.813 52.037 0.001 0.000 0.773 400 A CB 0.035 19.040 19.000 0.009 0.000 1.010 400 A HN 0.317 8.468 8.150 0.001 0.000 0.493 401 N N -2.426 116.268 118.700 -0.010 0.000 2.800 401 N HA -0.425 nan 4.740 nan 0.000 0.250 401 N C -1.541 173.957 175.510 -0.021 0.000 1.078 401 N CA 1.189 54.233 53.050 -0.010 0.000 0.804 401 N CB -1.515 36.981 38.487 0.016 0.000 1.135 401 N HN 0.269 8.535 8.380 -0.014 0.105 0.565 402 V N -8.416 111.477 119.914 -0.036 0.000 2.709 402 V HA 0.787 nan 4.120 nan 0.000 0.308 402 V C -2.174 173.881 176.094 -0.066 0.000 1.062 402 V CA -2.298 59.980 62.300 -0.036 0.000 0.901 402 V CB 3.093 34.904 31.823 -0.019 0.000 1.003 402 V HN -0.602 7.513 8.190 -0.034 0.054 0.425 403 I N 4.138 124.658 120.570 -0.084 0.000 2.474 403 I HA 0.465 nan 4.170 nan 0.000 0.294 403 I C -1.915 174.186 176.117 -0.026 0.000 1.005 403 I CA -1.828 59.416 61.300 -0.093 0.000 1.113 403 I CB 3.735 41.601 38.000 -0.223 0.000 1.289 403 I HN 0.709 8.880 8.210 -0.065 0.000 0.436 404 T N 9.164 123.725 114.554 0.012 0.000 2.859 404 T HA 0.546 nan 4.350 nan 0.000 0.281 404 T C -1.943 172.790 174.700 0.056 0.000 1.005 404 T CA -0.811 61.291 62.100 0.003 0.000 1.025 404 T CB 1.873 70.713 68.868 -0.045 0.000 0.977 404 T HN 0.219 8.486 8.240 0.044 0.000 0.458 405 T N 5.880 120.467 114.554 0.055 0.000 2.876 405 T HA 0.964 nan 4.350 nan 0.000 0.289 405 T C -2.370 172.280 174.700 -0.084 0.000 1.014 405 T CA -1.693 60.495 62.100 0.146 0.000 0.986 405 T CB 1.316 70.377 68.868 0.322 0.000 1.021 405 T HN 0.241 8.493 8.240 0.019 0.000 0.458 406 L N 3.965 125.182 121.223 -0.011 0.000 2.510 406 L HA 0.744 nan 4.340 nan 0.000 0.252 406 L C -1.919 175.041 176.870 0.151 0.000 1.091 406 L CA -1.051 53.674 54.840 -0.193 0.000 0.888 406 L CB 4.284 46.252 42.059 -0.150 0.000 1.507 406 L HN 1.001 9.197 8.230 0.130 0.112 0.407 407 I N -0.835 119.816 120.570 0.135 0.000 2.392 407 I HA 0.504 nan 4.170 nan 0.000 0.295 407 I C -1.933 174.182 176.117 -0.003 0.000 0.985 407 I CA -2.505 58.875 61.300 0.133 0.000 1.221 407 I CB 1.591 39.708 38.000 0.194 0.000 1.366 407 I HN 0.201 8.436 8.210 0.042 0.000 0.467 408 K N 8.049 128.332 120.400 -0.195 0.000 2.371 408 K HA 0.433 nan 4.320 nan 0.000 0.251 408 K C -1.735 174.666 176.600 -0.332 0.000 0.934 408 K CA -2.141 53.983 56.287 -0.271 0.000 0.798 408 K CB 3.408 35.679 32.500 -0.381 0.000 1.204 408 K HN 0.869 8.816 8.250 -0.329 0.105 0.427 409 E N 2.846 122.916 120.200 -0.216 0.000 2.313 409 E HA 0.412 nan 4.350 nan 0.000 0.272 409 E C -1.203 175.146 176.600 -0.418 0.000 1.038 409 E CA -0.754 55.411 56.400 -0.392 0.000 0.863 409 E CB 1.162 30.661 29.700 -0.335 0.000 1.060 409 E HN 0.280 8.553 8.360 -0.145 0.000 0.402 410 S N 1.432 116.736 115.700 -0.660 0.000 2.607 410 S HA 0.415 nan 4.470 nan 0.000 0.273 410 S C -2.101 172.003 174.600 -0.826 0.000 1.148 410 S CA -1.090 56.716 58.200 -0.657 0.000 0.833 410 S CB 2.826 65.653 63.200 -0.623 0.000 1.130 410 S HN 0.763 8.567 8.310 -0.844 0.000 0.470 411 L N 1.551 122.508 121.223 -0.444 0.000 2.370 411 L HA 0.872 nan 4.340 nan 0.000 0.266 411 L C -1.649 175.211 176.870 -0.017 0.000 1.002 411 L CA -1.332 53.368 54.840 -0.234 0.000 0.818 411 L CB 3.398 45.382 42.059 -0.124 0.000 1.325 411 L HN 0.289 8.338 8.230 -0.301 0.000 0.418 412 L N 1.868 123.162 121.223 0.118 0.000 2.365 412 L HA 0.455 nan 4.340 nan 0.000 0.273 412 L C -2.203 174.709 176.870 0.070 0.000 1.000 412 L CA -1.427 53.502 54.840 0.149 0.000 0.819 412 L CB 4.406 46.590 42.059 0.209 0.000 1.284 412 L HN 0.853 9.035 8.230 0.105 0.111 0.418 413 E N 5.093 125.319 120.200 0.044 0.000 2.115 413 E HA 0.310 nan 4.350 nan 0.000 0.282 413 E C 0.039 176.647 176.600 0.015 0.000 0.987 413 E CA -0.597 55.815 56.400 0.019 0.000 0.797 413 E CB 0.723 30.431 29.700 0.014 0.000 1.086 413 E HN 0.333 8.721 8.360 0.046 0.000 0.397 414 L N 5.885 127.108 121.223 -0.001 0.000 2.240 414 L HA -0.099 nan 4.340 nan 0.000 0.211 414 L C 1.516 178.351 176.870 -0.057 0.000 1.106 414 L CA 2.301 57.141 54.840 -0.001 0.000 0.793 414 L CB -0.024 42.051 42.059 0.026 0.000 0.927 414 L HN 0.871 9.101 8.230 -0.000 0.000 0.446 415 S N -1.002 114.612 115.700 -0.144 0.000 2.387 415 S HA -0.409 nan 4.470 nan 0.000 0.230 415 S C 1.583 175.966 174.600 -0.361 0.000 1.035 415 S CA 3.171 61.225 58.200 -0.243 0.000 1.014 415 S CB -0.266 62.674 63.200 -0.433 0.000 0.836 415 S HN -0.051 8.179 8.310 -0.133 0.000 0.466 416 H N -1.047 117.848 119.070 -0.292 0.000 2.389 416 H HA -0.105 nan 4.556 nan 0.000 0.299 416 H C 1.720 176.870 175.328 -0.295 0.000 1.081 416 H CA 2.793 58.587 56.048 -0.423 0.000 1.345 416 H CB 0.032 29.402 29.762 -0.654 0.000 1.393 416 H HN -0.072 7.982 8.280 -0.347 0.017 0.520 417 G N -3.039 105.701 108.800 -0.100 0.000 2.394 417 G HA2 -0.107 nan 3.960 nan 0.000 0.215 417 G HA3 -0.107 nan 3.960 nan 0.000 0.215 417 G C -0.567 174.255 174.900 -0.130 0.000 1.165 417 G CA 0.958 45.975 45.100 -0.137 0.000 0.784 417 G HN -0.293 7.963 8.290 -0.057 0.000 0.535 418 I N -5.317 115.211 120.570 -0.069 0.000 2.797 418 I HA 0.454 nan 4.170 nan 0.000 0.307 418 I C -1.916 174.196 176.117 -0.009 0.000 1.033 418 I CA -3.550 57.731 61.300 -0.031 0.000 1.071 418 I CB 2.304 40.314 38.000 0.018 0.000 1.255 418 I HN -0.629 7.546 8.210 -0.058 0.000 0.445 419 N N 2.614 121.307 118.700 -0.012 0.000 2.434 419 N HA -0.193 nan 4.740 nan 0.000 0.268 419 N C -0.425 175.040 175.510 -0.075 0.000 1.256 419 N CA 0.721 53.743 53.050 -0.048 0.000 0.914 419 N CB -0.281 38.160 38.487 -0.077 0.000 1.088 419 N HN 0.017 8.393 8.380 -0.007 0.000 0.478 420 F N 1.161 121.094 119.950 -0.027 0.000 2.163 420 F HA -0.018 nan 4.527 nan 0.000 0.297 420 F C 0.195 175.987 175.800 -0.015 0.000 1.094 420 F CA 0.292 58.267 58.000 -0.041 0.000 1.290 420 F CB -0.027 38.925 39.000 -0.080 0.000 1.017 420 F HN -0.315 8.161 8.300 0.293 0.000 0.483 421 G N 0.337 108.615 108.800 -0.870 0.000 2.531 421 G HA2 -0.543 nan 3.960 nan 0.000 0.274 421 G HA3 -0.543 nan 3.960 nan 0.000 0.274 421 G C 0.546 175.394 174.900 -0.086 0.000 1.159 421 G CA 1.066 45.915 45.100 -0.419 0.000 0.969 421 G HN -0.401 6.948 8.290 -1.768 -0.120 0.554 422 T N 0.920 115.485 114.554 0.019 0.000 2.857 422 T HA -0.088 nan 4.350 nan 0.000 0.266 422 T C 0.627 175.411 174.700 0.140 0.000 1.048 422 T CA 0.601 62.752 62.100 0.085 0.000 1.139 422 T CB -0.087 68.808 68.868 0.044 0.000 0.874 422 T HN 0.605 8.835 8.240 -0.016 0.000 0.455 423 D N 1.970 122.453 120.400 0.137 0.000 2.443 423 D HA -0.062 nan 4.640 nan 0.000 0.239 423 D C 0.201 176.564 176.300 0.106 0.000 1.136 423 D CA -0.050 54.014 54.000 0.106 0.000 0.879 423 D CB -0.191 40.656 40.800 0.079 0.000 1.195 423 D HN -0.705 7.739 8.370 0.125 0.000 0.443 424 Q N 2.654 122.470 119.800 0.027 0.000 2.079 424 Q HA -0.195 nan 4.340 nan 0.000 0.200 424 Q C 0.192 176.137 176.000 -0.091 0.000 0.974 424 Q CA 3.274 59.053 55.803 -0.041 0.000 0.840 424 Q CB 0.959 29.674 28.738 -0.038 0.000 0.898 424 Q HN -0.054 8.231 8.270 0.026 0.000 0.430 425 S N -4.764 110.905 115.700 -0.050 0.000 2.537 425 S HA 0.386 nan 4.470 nan 0.000 0.271 425 S C -2.714 171.870 174.600 -0.026 0.000 1.148 425 S CA -0.411 57.745 58.200 -0.072 0.000 0.868 425 S CB 2.149 65.302 63.200 -0.077 0.000 1.115 425 S HN -0.532 7.768 8.310 -0.016 0.000 0.461 426 V N -0.196 119.704 119.914 -0.023 0.000 2.444 426 V HA 0.826 nan 4.120 nan 0.000 0.294 426 V C -1.853 174.241 176.094 0.001 0.000 1.022 426 V CA -2.474 59.828 62.300 0.004 0.000 0.850 426 V CB 1.746 33.584 31.823 0.024 0.000 0.992 426 V HN 0.057 8.218 8.190 -0.048 0.000 0.426 427 K N 4.751 125.156 120.400 0.007 0.000 2.318 427 K HA 0.844 nan 4.320 nan 0.000 0.249 427 K C -2.274 174.342 176.600 0.028 0.000 0.942 427 K CA -2.462 53.832 56.287 0.012 0.000 0.808 427 K CB 3.491 35.986 32.500 -0.009 0.000 1.189 427 K HN 0.094 8.349 8.250 0.008 0.000 0.428 428 V N 1.897 121.845 119.914 0.057 0.000 2.513 428 V HA 0.624 nan 4.120 nan 0.000 0.299 428 V C -2.243 173.889 176.094 0.064 0.000 1.035 428 V CA -2.849 59.499 62.300 0.081 0.000 0.889 428 V CB 3.257 35.160 31.823 0.134 0.000 0.988 428 V HN 0.682 8.915 8.190 0.072 0.000 0.440 429 K N 9.254 129.657 120.400 0.006 0.000 2.183 429 K HA 0.733 nan 4.320 nan 0.000 0.274 429 K C -1.858 174.686 176.600 -0.093 0.000 1.009 429 K CA -1.365 54.836 56.287 -0.143 0.000 0.888 429 K CB 2.300 34.703 32.500 -0.162 0.000 1.078 429 K HN 0.897 9.066 8.250 0.032 0.099 0.459 430 Y N 2.949 123.158 120.300 -0.151 0.000 2.638 430 Y HA 0.462 nan 4.550 nan 0.000 0.339 430 Y C -2.354 173.376 175.900 -0.284 0.000 1.084 430 Y CA -2.618 55.419 58.100 -0.106 0.000 1.068 430 Y CB 2.271 40.756 38.460 0.041 0.000 1.294 430 Y HN 0.972 8.608 8.280 -0.884 0.114 0.480 431 H N -1.139 118.107 119.070 0.294 0.000 2.622 431 H HA 0.775 nan 4.556 nan 0.000 0.363 431 H C -0.502 174.982 175.328 0.259 0.000 1.151 431 H CA -1.677 54.444 56.048 0.123 0.000 1.184 431 H CB 3.697 33.504 29.762 0.074 0.000 1.643 431 H HN 0.199 8.787 8.280 0.514 0.000 0.531 432 H N -2.093 117.135 119.070 0.262 0.000 3.008 432 H HA 0.323 nan 4.556 nan 0.000 0.354 432 H C -2.245 173.180 175.328 0.162 0.000 1.252 432 H CA -2.149 54.003 56.048 0.173 0.000 1.117 432 H CB 2.666 32.395 29.762 -0.056 0.000 1.857 432 H HN 0.826 8.948 8.280 -0.264 0.000 0.547 433 L N -0.916 120.552 121.223 0.408 0.000 2.417 433 L HA 0.292 nan 4.340 nan 0.000 0.268 433 L C -0.497 176.671 176.870 0.496 0.000 1.158 433 L CA 0.285 55.342 54.840 0.361 0.000 0.819 433 L CB 0.874 43.119 42.059 0.310 0.000 1.112 433 L HN 0.333 8.858 8.230 0.493 0.000 0.458 434 D N 3.499 124.108 120.400 0.348 0.000 2.599 434 D HA 0.326 nan 4.640 nan 0.000 0.252 434 D C -2.506 173.922 176.300 0.214 0.000 1.232 434 D CA -1.036 53.135 54.000 0.286 0.000 0.819 434 D CB 3.882 44.792 40.800 0.184 0.000 1.401 434 D HN 0.736 9.290 8.370 0.306 0.000 0.429 435 H N -2.259 116.890 119.070 0.131 0.000 2.946 435 H HA 0.739 nan 4.556 nan 0.000 0.365 435 H C -1.482 173.843 175.328 -0.005 0.000 1.197 435 H CA -2.109 53.980 56.048 0.068 0.000 1.131 435 H CB 3.008 32.825 29.762 0.092 0.000 1.849 435 H HN 0.014 8.097 8.280 -0.329 0.000 0.555 436 E N 1.150 121.436 120.200 0.143 0.000 2.390 436 E HA 0.041 nan 4.350 nan 0.000 0.261 436 E C -1.614 175.031 176.600 0.075 0.000 1.076 436 E CA -1.915 54.519 56.400 0.056 0.000 0.905 436 E CB 1.181 30.917 29.700 0.060 0.000 0.984 436 E HN 0.061 8.533 8.360 0.186 0.000 0.427 437 P HA 0.100 nan 4.420 nan 0.000 0.275 437 P C -2.054 175.258 177.300 0.020 0.000 1.228 437 P CA 0.287 63.273 63.100 -0.189 0.000 0.786 437 P CB 0.599 32.395 31.700 0.160 0.000 0.927 438 F N -4.085 115.913 119.950 0.079 0.000 2.711 438 F HA 0.651 nan 4.527 nan 0.000 0.313 438 F C -2.167 173.563 175.800 -0.117 0.000 1.141 438 F CA -2.239 55.725 58.000 -0.061 0.000 0.941 438 F CB 2.267 41.159 39.000 -0.180 0.000 1.349 438 F HN -0.497 7.449 8.300 -0.589 0.000 0.464 439 T N -1.410 113.174 114.554 0.050 0.000 2.901 439 T HA 0.786 nan 4.350 nan 0.000 0.293 439 T C -2.119 172.478 174.700 -0.171 0.000 1.084 439 T CA -1.950 60.087 62.100 -0.105 0.000 1.008 439 T CB 3.155 71.997 68.868 -0.043 0.000 1.170 439 T HN 0.266 8.582 8.240 0.127 0.000 0.509 440 Y N 0.317 120.706 120.300 0.148 0.000 2.429 440 Y HA 0.610 nan 4.550 nan 0.000 0.342 440 Y C -1.772 174.154 175.900 0.044 0.000 1.004 440 Y CA -2.024 56.143 58.100 0.113 0.000 1.075 440 Y CB 3.300 41.834 38.460 0.124 0.000 1.214 440 Y HN 0.574 8.906 8.280 0.086 0.000 0.455 441 N N 1.868 120.680 118.700 0.187 0.000 2.448 441 N HA 0.459 nan 4.740 nan 0.000 0.279 441 N C -2.213 173.337 175.510 0.066 0.000 1.025 441 N CA -0.750 52.352 53.050 0.087 0.000 0.898 441 N CB 2.987 41.503 38.487 0.048 0.000 1.303 441 N HN 0.600 9.102 8.380 0.203 0.000 0.495 442 I N 6.652 127.234 120.570 0.020 0.000 2.406 442 I HA 0.590 nan 4.170 nan 0.000 0.290 442 I C -2.312 173.782 176.117 -0.038 0.000 0.999 442 I CA -2.384 58.909 61.300 -0.012 0.000 1.124 442 I CB 3.081 41.057 38.000 -0.040 0.000 1.289 442 I HN 0.581 8.787 8.210 -0.006 0.000 0.441 443 V N 9.774 129.673 119.914 -0.025 0.000 2.407 443 V HA 0.529 nan 4.120 nan 0.000 0.278 443 V C -1.549 174.529 176.094 -0.026 0.000 1.037 443 V CA -0.877 61.409 62.300 -0.023 0.000 0.900 443 V CB 0.462 32.280 31.823 -0.009 0.000 0.983 443 V HN 0.606 8.786 8.190 -0.016 0.000 0.459 444 V N 7.608 127.507 119.914 -0.025 0.000 2.735 444 V HA 0.582 nan 4.120 nan 0.000 0.310 444 V C -2.073 174.022 176.094 0.002 0.000 1.061 444 V CA -1.863 60.428 62.300 -0.016 0.000 0.913 444 V CB 3.627 35.437 31.823 -0.023 0.000 1.005 444 V HN 0.923 8.993 8.190 -0.024 0.106 0.428 445 E N 5.611 125.817 120.200 0.010 0.000 2.133 445 E HA 0.321 nan 4.350 nan 0.000 0.274 445 E C -2.037 174.579 176.600 0.026 0.000 0.930 445 E CA -2.214 54.194 56.400 0.014 0.000 0.770 445 E CB 2.504 32.209 29.700 0.008 0.000 1.104 445 E HN 0.735 9.100 8.360 0.009 0.000 0.403 446 N N 6.890 125.606 118.700 0.028 0.000 2.527 446 N HA 0.271 nan 4.740 nan 0.000 0.236 446 N C 0.589 176.111 175.510 0.019 0.000 0.999 446 N CA -1.578 51.496 53.050 0.039 0.000 0.935 446 N CB 0.523 39.035 38.487 0.043 0.000 1.132 446 N HN 0.246 8.640 8.380 0.022 0.000 0.511 447 N N 7.595 126.300 118.700 0.009 0.000 2.270 447 N HA -0.164 nan 4.740 nan 0.000 0.181 447 N C 0.481 175.984 175.510 -0.011 0.000 1.016 447 N CA 1.890 54.936 53.050 -0.007 0.000 0.870 447 N CB 0.100 38.575 38.487 -0.020 0.000 0.979 447 N HN 0.851 9.144 8.380 0.013 0.095 0.431 448 S N 0.875 116.568 115.700 -0.011 0.000 2.589 448 S HA 0.014 nan 4.470 nan 0.000 0.265 448 S C 1.319 175.917 174.600 -0.002 0.000 1.342 448 S CA 0.472 58.663 58.200 -0.014 0.000 1.005 448 S CB 0.854 64.047 63.200 -0.012 0.000 0.909 448 S HN -0.367 8.150 8.310 -0.002 -0.208 0.555 449 G N -0.803 107.995 108.800 -0.003 0.000 2.421 449 G HA2 -0.171 nan 3.960 nan 0.000 0.217 449 G HA3 -0.171 nan 3.960 nan 0.000 0.217 449 G C -1.076 173.827 174.900 0.004 0.000 1.143 449 G CA 0.443 45.543 45.100 0.000 0.000 0.784 449 G HN 0.408 8.694 8.290 -0.008 0.000 0.541 450 A N -0.577 122.248 122.820 0.009 0.000 2.288 450 A HA 0.242 nan 4.320 nan 0.000 0.328 450 A C -1.630 175.955 177.584 0.003 0.000 1.123 450 A CA -1.091 50.952 52.037 0.010 0.000 0.861 450 A CB 2.127 21.141 19.000 0.023 0.000 1.272 450 A HN -0.783 7.339 8.150 0.010 0.035 0.490 451 E N -0.676 119.511 120.200 -0.021 0.000 2.373 451 E HA -0.072 nan 4.350 nan 0.000 0.267 451 E C -0.971 175.560 176.600 -0.116 0.000 1.032 451 E CA 0.553 56.906 56.400 -0.078 0.000 0.889 451 E CB 0.546 30.172 29.700 -0.124 0.000 0.984 451 E HN 0.098 8.450 8.360 -0.013 0.000 0.425 452 K N 1.469 121.788 120.400 -0.135 0.000 2.295 452 K HA 0.456 nan 4.320 nan 0.000 0.239 452 K C -1.537 174.873 176.600 -0.316 0.000 0.991 452 K CA -2.330 53.910 56.287 -0.077 0.000 0.845 452 K CB 3.418 36.035 32.500 0.195 0.000 1.197 452 K HN 0.686 8.763 8.250 -0.115 0.104 0.441 453 H N -0.337 118.783 119.070 0.084 0.000 2.547 453 H HA 0.814 nan 4.556 nan 0.000 0.342 453 H C -0.676 174.599 175.328 -0.089 0.000 1.048 453 H CA -0.984 55.102 56.048 0.063 0.000 1.204 453 H CB 2.524 32.589 29.762 0.505 0.000 1.493 453 H HN 0.472 8.873 8.280 0.201 0.000 0.511 454 S N 2.608 118.148 115.700 -0.267 0.000 2.570 454 S HA 0.634 nan 4.470 nan 0.000 0.286 454 S C -1.145 173.327 174.600 -0.214 0.000 1.099 454 S CA -1.610 56.428 58.200 -0.270 0.000 0.913 454 S CB 2.513 65.505 63.200 -0.346 0.000 1.085 454 S HN 0.943 8.871 8.310 -0.637 0.000 0.480 455 T N 3.550 118.041 114.554 -0.105 0.000 2.749 455 T HA 0.476 nan 4.350 nan 0.000 0.287 455 T C -0.954 173.591 174.700 -0.258 0.000 0.970 455 T CA -0.007 62.046 62.100 -0.079 0.000 0.980 455 T CB 0.729 69.620 68.868 0.039 0.000 0.924 455 T HN 0.236 8.398 8.240 -0.129 0.000 0.456 456 V N 8.060 127.649 119.914 -0.541 0.000 2.439 456 V HA 0.509 nan 4.120 nan 0.000 0.282 456 V C -1.275 174.553 176.094 -0.442 0.000 1.039 456 V CA -0.885 61.048 62.300 -0.611 0.000 0.913 456 V CB 0.841 32.017 31.823 -1.080 0.000 0.983 456 V HN 1.147 8.790 8.190 -0.743 0.101 0.460 457 R N 6.004 126.401 120.500 -0.172 0.000 2.480 457 R HA 0.857 nan 4.340 nan 0.000 0.306 457 R C -1.479 174.845 176.300 0.041 0.000 0.958 457 R CA -1.435 54.670 56.100 0.008 0.000 0.861 457 R CB 2.655 33.123 30.300 0.280 0.000 1.171 457 R HN 0.875 9.057 8.270 -0.148 0.000 0.445 458 I N 2.925 123.441 120.570 -0.089 0.000 2.498 458 I HA 0.678 nan 4.170 nan 0.000 0.290 458 I C -1.716 174.290 176.117 -0.185 0.000 1.032 458 I CA -0.978 60.289 61.300 -0.055 0.000 1.073 458 I CB 3.128 41.002 38.000 -0.211 0.000 1.251 458 I HN 0.757 8.845 8.210 -0.203 0.000 0.426 459 F N 4.956 125.052 119.950 0.244 0.000 2.620 459 F HA 0.804 nan 4.527 nan 0.000 0.320 459 F C -2.206 173.750 175.800 0.261 0.000 1.069 459 F CA -1.560 56.591 58.000 0.252 0.000 0.953 459 F CB 4.557 43.703 39.000 0.243 0.000 1.322 459 F HN 0.578 9.183 8.300 0.508 0.000 0.479 460 L N 0.518 121.991 121.223 0.417 0.000 2.386 460 L HA 0.857 nan 4.340 nan 0.000 0.271 460 L C -2.499 174.537 176.870 0.277 0.000 0.993 460 L CA -1.678 53.340 54.840 0.297 0.000 0.819 460 L CB 4.186 46.307 42.059 0.104 0.000 1.294 460 L HN 0.636 9.105 8.230 0.397 0.000 0.414 461 A N 4.741 127.693 122.820 0.219 0.000 2.515 461 A HA 0.760 nan 4.320 nan 0.000 0.298 461 A C -3.601 174.010 177.584 0.045 0.000 1.059 461 A CA -2.765 49.194 52.037 -0.130 0.000 0.698 461 A CB 2.347 20.762 19.000 -0.976 0.000 1.289 461 A HN 0.800 9.129 8.150 0.298 0.000 0.404 462 P HA 0.089 nan 4.420 nan 0.000 0.271 462 P C -1.125 175.987 177.300 -0.314 0.000 1.216 462 P CA -0.551 62.362 63.100 -0.312 0.000 0.771 462 P CB 0.458 31.994 31.700 -0.272 0.000 0.864 463 K N 1.024 121.207 120.400 -0.362 0.000 2.076 463 K HA -0.076 nan 4.320 nan 0.000 0.204 463 K C 0.127 176.454 176.600 -0.454 0.000 1.051 463 K CA 2.281 58.348 56.287 -0.366 0.000 0.949 463 K CB 1.055 33.301 32.500 -0.423 0.000 0.726 463 K HN -0.118 7.831 8.250 -0.502 0.000 0.443 464 Y N -4.581 115.568 120.300 -0.251 0.000 2.310 464 Y HA -0.030 nan 4.550 nan 0.000 0.326 464 Y C -0.400 175.399 175.900 -0.168 0.000 1.151 464 Y CA 0.621 58.612 58.100 -0.182 0.000 1.195 464 Y CB 0.851 39.208 38.460 -0.172 0.000 1.210 464 Y HN -0.569 7.650 8.280 -0.103 0.000 0.483 465 D N 2.004 122.415 120.400 0.018 0.000 2.530 465 D HA 0.061 nan 4.640 nan 0.000 0.282 465 D C -0.069 176.236 176.300 0.009 0.000 1.204 465 D CA -1.460 52.529 54.000 -0.018 0.000 1.093 465 D CB 1.898 42.676 40.800 -0.036 0.000 1.154 465 D HN -0.358 8.031 8.370 0.032 0.000 0.593 466 E N -1.037 119.156 120.200 -0.011 0.000 2.474 466 E HA 0.050 nan 4.350 nan 0.000 0.194 466 E C -0.472 176.126 176.600 -0.003 0.000 1.041 466 E CA 1.188 57.581 56.400 -0.011 0.000 0.874 466 E CB 0.043 29.732 29.700 -0.019 0.000 0.914 466 E HN 0.355 8.702 8.360 -0.022 0.000 0.498 467 L N -0.866 120.359 121.223 0.003 0.000 2.416 467 L HA 0.177 nan 4.340 nan 0.000 0.188 467 L C 0.779 177.663 176.870 0.024 0.000 1.145 467 L CA 0.654 55.497 54.840 0.006 0.000 0.826 467 L CB -0.105 41.953 42.059 -0.002 0.000 1.064 467 L HN -0.399 7.894 8.230 0.001 -0.062 0.490 468 N N -3.848 114.873 118.700 0.036 0.000 3.449 468 N HA -0.005 nan 4.740 nan 0.000 0.312 468 N C -1.900 173.651 175.510 0.068 0.000 1.582 468 N CA -0.641 52.457 53.050 0.080 0.000 0.850 468 N CB 1.645 40.163 38.487 0.052 0.000 1.822 468 N HN -0.566 7.825 8.380 0.019 0.000 0.577 469 N N -0.033 118.690 118.700 0.040 0.000 2.406 469 N HA -0.162 nan 4.740 nan 0.000 0.274 469 N C -1.300 174.094 175.510 -0.194 0.000 1.249 469 N CA 1.226 54.127 53.050 -0.249 0.000 0.951 469 N CB 0.081 38.380 38.487 -0.313 0.000 1.241 469 N HN 0.254 8.698 8.380 0.106 0.000 0.485 470 K N 4.591 124.879 120.400 -0.187 0.000 2.740 470 K HA 0.229 nan 4.320 nan 0.000 0.246 470 K C -1.173 175.355 176.600 -0.120 0.000 1.021 470 K CA -1.117 55.097 56.287 -0.121 0.000 1.021 470 K CB 1.229 33.686 32.500 -0.072 0.000 1.233 470 K HN -0.275 7.843 8.250 -0.219 0.000 0.497 471 L N 6.280 127.438 121.223 -0.109 0.000 2.416 471 L HA 0.030 nan 4.340 nan 0.000 0.243 471 L C -0.984 175.863 176.870 -0.037 0.000 1.373 471 L CA -0.609 54.181 54.840 -0.082 0.000 1.227 471 L CB -1.271 40.756 42.059 -0.054 0.000 1.428 471 L HN 0.688 8.858 8.230 -0.101 0.000 0.425 472 E N 2.194 122.363 120.200 -0.051 0.000 2.052 472 E HA 0.204 nan 4.350 nan 0.000 0.283 472 E C -1.397 175.192 176.600 -0.018 0.000 1.071 472 E CA -2.522 53.863 56.400 -0.025 0.000 0.851 472 E CB 0.016 29.698 29.700 -0.030 0.000 1.066 472 E HN -0.160 8.110 8.360 -0.079 0.043 0.396 473 P HA -0.258 nan 4.420 nan 0.000 0.219 473 P C 0.713 178.029 177.300 0.027 0.000 1.146 473 P CA 2.533 65.656 63.100 0.040 0.000 0.808 473 P CB 0.171 31.878 31.700 0.011 0.000 0.779 474 D N -1.632 118.772 120.400 0.006 0.000 2.097 474 D HA -0.257 nan 4.640 nan 0.000 0.195 474 D C 2.553 178.854 176.300 0.002 0.000 0.989 474 D CA 3.095 57.100 54.000 0.007 0.000 0.827 474 D CB -0.381 40.421 40.800 0.004 0.000 0.966 474 D HN 0.312 8.660 8.370 0.005 0.025 0.456 475 E N -0.528 119.656 120.200 -0.027 0.000 2.106 475 E HA -0.305 nan 4.350 nan 0.000 0.192 475 E C 2.638 179.172 176.600 -0.110 0.000 0.984 475 E CA 2.596 58.961 56.400 -0.058 0.000 0.806 475 E CB -0.108 29.547 29.700 -0.074 0.000 0.750 475 E HN -0.486 7.857 8.360 -0.029 0.000 0.458 476 Q N -1.664 118.050 119.800 -0.144 0.000 2.234 476 Q HA -0.312 nan 4.340 nan 0.000 0.206 476 Q C 2.066 177.859 176.000 -0.346 0.000 0.980 476 Q CA 2.807 58.367 55.803 -0.404 0.000 0.869 476 Q CB -0.362 28.134 28.738 -0.404 0.000 0.912 476 Q HN -0.222 7.881 8.270 -0.078 0.120 0.436 477 R N -1.722 118.815 120.500 0.061 0.000 2.091 477 R HA -0.294 nan 4.340 nan 0.000 0.238 477 R C 1.956 178.288 176.300 0.053 0.000 1.136 477 R CA 2.693 58.906 56.100 0.189 0.000 0.959 477 R CB -0.550 29.840 30.300 0.150 0.000 0.856 477 R HN -0.672 7.502 8.270 0.065 0.136 0.437 478 R N -3.155 117.327 120.500 -0.030 0.000 2.075 478 R HA -0.114 nan 4.340 nan 0.000 0.232 478 R C 2.002 178.241 176.300 -0.102 0.000 1.126 478 R CA 1.483 57.559 56.100 -0.040 0.000 0.963 478 R CB -0.187 30.091 30.300 -0.036 0.000 0.858 478 R HN -0.529 7.720 8.270 -0.035 0.000 0.435 479 L N -1.721 119.375 121.223 -0.213 0.000 2.156 479 L HA -0.187 nan 4.340 nan 0.000 0.208 479 L C 0.615 177.319 176.870 -0.277 0.000 1.095 479 L CA 1.538 56.217 54.840 -0.269 0.000 0.770 479 L CB 0.091 41.904 42.059 -0.409 0.000 0.914 479 L HN -0.741 7.195 8.230 -0.265 0.135 0.439 480 F N -2.574 117.207 119.950 -0.283 0.000 2.608 480 F HA -0.197 nan 4.527 nan 0.000 0.380 480 F C 0.248 176.007 175.800 -0.069 0.000 1.083 480 F CA 1.714 59.521 58.000 -0.322 0.000 1.266 480 F CB 0.154 38.589 39.000 -0.943 0.000 1.076 480 F HN -0.629 7.407 8.300 -0.439 0.000 0.574 481 I N -1.446 119.289 120.570 0.275 0.000 2.530 481 I HA 0.483 nan 4.170 nan 0.000 0.297 481 I C -1.734 174.578 176.117 0.325 0.000 1.011 481 I CA -2.245 59.191 61.300 0.226 0.000 1.107 481 I CB 3.436 41.480 38.000 0.073 0.000 1.285 481 I HN 0.665 9.043 8.210 0.280 0.000 0.436 482 E N 4.769 125.089 120.200 0.200 0.000 2.152 482 E HA 0.135 nan 4.350 nan 0.000 0.285 482 E C -0.242 176.251 176.600 -0.178 0.000 1.043 482 E CA -1.059 55.169 56.400 -0.286 0.000 0.839 482 E CB 1.245 30.881 29.700 -0.108 0.000 1.069 482 E HN -0.208 8.549 8.360 0.258 -0.242 0.399 483 L N 5.948 127.034 121.223 -0.229 0.000 2.095 483 L HA -0.033 nan 4.340 nan 0.000 0.204 483 L C -0.461 176.379 176.870 -0.049 0.000 1.080 483 L CA 1.855 56.665 54.840 -0.050 0.000 0.759 483 L CB 0.441 42.526 42.059 0.042 0.000 0.914 483 L HN 0.450 8.445 8.230 -0.391 0.000 0.439 484 D N -5.452 114.871 120.400 -0.129 0.000 2.720 484 D HA 0.142 nan 4.640 nan 0.000 0.239 484 D C -2.796 173.509 176.300 0.008 0.000 1.218 484 D CA -0.092 53.914 54.000 0.010 0.000 0.748 484 D CB 3.283 44.185 40.800 0.170 0.000 1.387 484 D HN -0.637 7.560 8.370 -0.288 0.000 0.438 485 K N 2.276 122.744 120.400 0.112 0.000 2.535 485 K HA 0.762 nan 4.320 nan 0.000 0.250 485 K C -1.907 174.814 176.600 0.202 0.000 0.948 485 K CA -0.575 55.749 56.287 0.062 0.000 0.796 485 K CB 2.968 35.498 32.500 0.050 0.000 1.216 485 K HN -0.260 8.085 8.250 0.158 0.000 0.432 486 F N 1.338 121.314 119.950 0.043 0.000 2.713 486 F HA 0.319 nan 4.527 nan 0.000 0.311 486 F C -3.118 172.758 175.800 0.126 0.000 1.141 486 F CA -1.927 56.122 58.000 0.081 0.000 0.939 486 F CB 1.961 40.999 39.000 0.064 0.000 1.325 486 F HN 0.188 8.184 8.300 -0.506 0.000 0.453 487 F N 0.149 120.211 119.950 0.186 0.000 2.421 487 F HA 0.688 nan 4.527 nan 0.000 0.337 487 F C -2.196 173.722 175.800 0.197 0.000 1.105 487 F CA -1.123 56.897 58.000 0.033 0.000 1.049 487 F CB 2.140 41.032 39.000 -0.180 0.000 1.139 487 F HN -0.200 8.416 8.300 0.527 0.000 0.479 488 Y N 7.535 127.081 120.300 -1.257 0.000 2.562 488 Y HA 0.226 nan 4.550 nan 0.000 0.345 488 Y C -2.468 172.778 175.900 -1.090 0.000 1.045 488 Y CA -0.741 56.883 58.100 -0.794 0.000 1.028 488 Y CB 4.780 43.090 38.460 -0.250 0.000 1.297 488 Y HN 0.719 8.241 8.280 -1.263 0.000 0.463 489 T N 5.390 119.349 114.554 -0.992 0.000 2.823 489 T HA 0.645 nan 4.350 nan 0.000 0.279 489 T C -1.469 173.061 174.700 -0.284 0.000 0.998 489 T CA -0.613 61.161 62.100 -0.544 0.000 0.994 489 T CB 0.942 69.611 68.868 -0.331 0.000 0.960 489 T HN -0.001 7.260 8.240 -1.632 0.000 0.448 490 L N 6.309 127.443 121.223 -0.150 0.000 2.346 490 L HA 0.446 nan 4.340 nan 0.000 0.276 490 L C -0.536 176.308 176.870 -0.044 0.000 1.006 490 L CA -1.420 53.417 54.840 -0.006 0.000 0.817 490 L CB 2.462 44.539 42.059 0.030 0.000 1.272 490 L HN 1.023 8.998 8.230 -0.230 0.117 0.421 491 T N 0.021 114.570 114.554 -0.007 0.000 2.862 491 T HA 0.491 nan 4.350 nan 0.000 0.276 491 T C -2.154 172.548 174.700 0.004 0.000 0.974 491 T CA -3.139 58.953 62.100 -0.014 0.000 0.966 491 T CB -0.484 68.382 68.868 -0.004 0.000 1.072 491 T HN -0.247 8.170 8.240 0.026 -0.162 0.538 492 P HA -0.014 nan 4.420 nan 0.000 0.274 492 P C -0.894 176.412 177.300 0.010 0.000 1.231 492 P CA -0.019 63.086 63.100 0.008 0.000 0.790 492 P CB 0.269 31.971 31.700 0.004 0.000 0.951 493 G N 2.044 110.850 108.800 0.011 0.000 2.627 493 G HA2 -0.364 nan 3.960 nan 0.000 0.214 493 G HA3 -0.364 nan 3.960 nan 0.000 0.214 493 G C -1.743 173.165 174.900 0.013 0.000 1.331 493 G CA -0.581 44.525 45.100 0.010 0.000 0.891 493 G HN 0.045 8.341 8.290 0.011 0.000 0.539 494 K N 1.093 121.500 120.400 0.012 0.000 2.237 494 K HA 0.272 nan 4.320 nan 0.000 0.270 494 K C -0.715 175.895 176.600 0.017 0.000 1.015 494 K CA 0.514 56.808 56.287 0.012 0.000 0.949 494 K CB 0.824 33.328 32.500 0.008 0.000 0.976 494 K HN 0.103 8.360 8.250 0.010 0.000 0.472 495 N N 2.322 121.031 118.700 0.014 0.000 2.242 495 N HA 0.313 nan 4.740 nan 0.000 0.292 495 N C -2.231 173.274 175.510 -0.007 0.000 1.125 495 N CA -0.683 52.380 53.050 0.022 0.000 0.783 495 N CB 5.091 43.607 38.487 0.049 0.000 1.558 495 N HN 0.317 8.701 8.380 0.007 0.000 0.472 496 T N -2.334 112.211 114.554 -0.016 0.000 2.840 496 T HA 0.582 nan 4.350 nan 0.000 0.287 496 T C -0.882 173.747 174.700 -0.118 0.000 0.991 496 T CA -1.437 60.634 62.100 -0.048 0.000 0.964 496 T CB 1.147 70.003 68.868 -0.020 0.000 0.954 496 T HN 0.126 8.373 8.240 0.011 0.000 0.438 497 I N 6.812 127.260 120.570 -0.204 0.000 2.378 497 I HA 0.338 nan 4.170 nan 0.000 0.291 497 I C -1.401 174.611 176.117 -0.175 0.000 0.992 497 I CA -0.851 60.210 61.300 -0.398 0.000 1.154 497 I CB 2.510 40.143 38.000 -0.611 0.000 1.315 497 I HN 0.773 8.786 8.210 -0.145 0.110 0.448 498 V N 7.404 127.235 119.914 -0.138 0.000 2.555 498 V HA 0.554 nan 4.120 nan 0.000 0.302 498 V C -1.248 174.793 176.094 -0.088 0.000 1.038 498 V CA -1.525 60.744 62.300 -0.051 0.000 0.887 498 V CB 1.827 33.632 31.823 -0.030 0.000 0.991 498 V HN 0.281 8.371 8.190 -0.166 0.000 0.434 499 R N 7.719 128.194 120.500 -0.041 0.000 2.725 499 R HA 0.473 nan 4.340 nan 0.000 0.277 499 R C -2.294 173.971 176.300 -0.059 0.000 0.987 499 R CA -2.564 53.448 56.100 -0.146 0.000 0.901 499 R CB 4.148 34.237 30.300 -0.352 0.000 1.207 499 R HN 0.221 8.530 8.270 0.065 0.000 0.463 500 N N 3.499 122.109 118.700 -0.151 0.000 2.466 500 N HA 0.357 nan 4.740 nan 0.000 0.294 500 N C 1.144 176.497 175.510 -0.262 0.000 1.129 500 N CA -1.412 51.514 53.050 -0.206 0.000 0.931 500 N CB 1.463 39.803 38.487 -0.244 0.000 1.193 500 N HN 0.355 8.617 8.380 -0.198 0.000 0.500 501 H N 0.563 119.361 119.070 -0.453 0.000 2.421 501 H HA -0.312 nan 4.556 nan 0.000 0.298 501 H C 2.132 177.318 175.328 -0.236 0.000 1.087 501 H CA 3.725 59.465 56.048 -0.513 0.000 1.330 501 H CB -0.046 28.953 29.762 -1.273 0.000 1.388 501 H HN 0.585 8.602 8.280 -0.439 0.000 0.526 502 Q N -1.167 117.935 119.800 -1.162 0.000 2.135 502 Q HA -0.335 nan 4.340 nan 0.000 0.204 502 Q C 0.866 176.670 176.000 -0.326 0.000 0.981 502 Q CA 2.638 57.974 55.803 -0.778 0.000 0.856 502 Q CB -0.845 27.525 28.738 -0.614 0.000 0.902 502 Q HN 0.346 7.866 8.270 -1.194 0.034 0.425 503 D N -2.489 117.751 120.400 -0.266 0.000 2.310 503 D HA -0.016 nan 4.640 nan 0.000 0.212 503 D C 0.540 176.783 176.300 -0.095 0.000 0.965 503 D CA 0.559 54.459 54.000 -0.166 0.000 0.879 503 D CB 0.147 40.834 40.800 -0.187 0.000 0.921 503 D HN -0.608 7.644 8.370 -0.316 -0.071 0.510 504 S N 0.710 116.377 115.700 -0.055 0.000 2.715 504 S HA -0.352 nan 4.470 nan 0.000 0.318 504 S C 0.800 175.399 174.600 -0.002 0.000 1.242 504 S CA 0.596 58.806 58.200 0.017 0.000 1.044 504 S CB 0.340 63.586 63.200 0.077 0.000 0.760 504 S HN -0.472 7.595 8.310 -0.087 0.191 0.501 505 S N 8.732 124.435 115.700 0.005 0.000 2.453 505 S HA -0.177 nan 4.470 nan 0.000 0.231 505 S C 1.630 176.183 174.600 -0.079 0.000 1.005 505 S CA 3.344 61.539 58.200 -0.009 0.000 0.949 505 S CB 0.137 63.351 63.200 0.023 0.000 0.774 505 S HN 0.140 8.765 8.310 0.036 -0.293 0.510 506 V N -6.294 113.516 119.914 -0.174 0.000 2.719 506 V HA 0.045 nan 4.120 nan 0.000 0.252 506 V C -0.525 175.492 176.094 -0.128 0.000 1.065 506 V CA 1.444 63.487 62.300 -0.428 0.000 1.086 506 V CB -0.826 30.632 31.823 -0.608 0.000 0.700 506 V HN -0.626 7.461 8.190 -0.119 0.032 0.467 507 T N -3.864 110.697 114.554 0.012 0.000 2.945 507 T HA 0.532 nan 4.350 nan 0.000 0.286 507 T C -1.389 173.350 174.700 0.065 0.000 1.025 507 T CA -2.659 59.501 62.100 0.100 0.000 1.039 507 T CB 2.406 71.345 68.868 0.119 0.000 1.068 507 T HN -0.728 7.482 8.240 -0.003 0.028 0.497 508 I N 2.301 122.914 120.570 0.071 0.000 2.416 508 I HA 0.083 nan 4.170 nan 0.000 0.288 508 I C 0.093 176.202 176.117 -0.013 0.000 1.051 508 I CA -2.344 58.970 61.300 0.024 0.000 1.375 508 I CB 1.844 39.864 38.000 0.032 0.000 1.407 508 I HN 0.079 8.342 8.210 0.089 0.000 0.516 509 S N 9.318 124.987 115.700 -0.052 0.000 2.383 509 S HA -0.197 nan 4.470 nan 0.000 0.227 509 S C -0.081 174.478 174.600 -0.068 0.000 1.026 509 S CA 2.373 60.535 58.200 -0.064 0.000 0.981 509 S CB 0.423 63.571 63.200 -0.088 0.000 0.818 509 S HN -0.100 8.650 8.310 -0.065 -0.479 0.472 510 K N -0.823 119.515 120.400 -0.104 0.000 2.589 510 K HA -0.007 nan 4.320 nan 0.000 0.265 510 K C -2.362 174.159 176.600 -0.133 0.000 0.935 510 K CA 0.008 56.238 56.287 -0.094 0.000 0.850 510 K CB 2.229 34.673 32.500 -0.093 0.000 1.372 510 K HN -0.747 7.418 8.250 -0.142 0.000 0.420 511 V N 2.151 122.023 119.914 -0.069 0.000 2.417 511 V HA 0.182 nan 4.120 nan 0.000 0.291 511 V C -0.795 175.300 176.094 0.001 0.000 1.024 511 V CA -1.838 60.431 62.300 -0.052 0.000 0.861 511 V CB 1.497 33.311 31.823 -0.015 0.000 0.985 511 V HN 0.107 8.274 8.190 -0.038 0.000 0.436 512 R N 6.835 127.382 120.500 0.077 0.000 2.390 512 R HA 0.169 nan 4.340 nan 0.000 0.291 512 R C -0.117 176.215 176.300 0.053 0.000 1.070 512 R CA -0.789 55.372 56.100 0.102 0.000 1.014 512 R CB 0.235 30.665 30.300 0.216 0.000 1.007 512 R HN 0.042 8.398 8.270 0.143 0.000 0.466 513 T N 1.911 116.486 114.554 0.035 0.000 2.899 513 T HA 0.204 nan 4.350 nan 0.000 0.295 513 T C 0.974 175.697 174.700 0.037 0.000 1.033 513 T CA -0.751 61.367 62.100 0.030 0.000 1.084 513 T CB 1.648 70.541 68.868 0.040 0.000 0.979 513 T HN 0.044 8.307 8.240 0.038 0.000 0.532 514 F N 5.596 125.410 119.950 -0.226 0.000 2.192 514 F HA -0.381 nan 4.527 nan 0.000 0.301 514 F C 1.268 176.941 175.800 -0.211 0.000 1.079 514 F CA 3.461 61.249 58.000 -0.353 0.000 1.303 514 F CB 0.204 38.674 39.000 -0.884 0.000 1.024 514 F HN 0.391 9.048 8.300 0.056 -0.323 0.494 515 D N -1.998 118.498 120.400 0.159 0.000 2.092 515 D HA -0.340 nan 4.640 nan 0.000 0.193 515 D C 2.494 178.844 176.300 0.084 0.000 0.994 515 D CA 3.471 57.556 54.000 0.142 0.000 0.828 515 D CB -0.753 40.117 40.800 0.117 0.000 0.963 515 D HN -0.434 8.017 8.370 0.122 -0.008 0.450 516 Q N -0.794 119.038 119.800 0.054 0.000 2.030 516 Q HA -0.294 nan 4.340 nan 0.000 0.204 516 Q C 2.969 178.976 176.000 0.012 0.000 0.986 516 Q CA 2.792 58.615 55.803 0.032 0.000 0.843 516 Q CB 0.111 28.870 28.738 0.034 0.000 0.904 516 Q HN -0.584 7.628 8.270 0.056 0.091 0.420 517 L N -1.346 119.868 121.223 -0.014 0.000 2.129 517 L HA -0.316 nan 4.340 nan 0.000 0.212 517 L C 2.181 179.019 176.870 -0.053 0.000 1.087 517 L CA 2.243 57.034 54.840 -0.082 0.000 0.757 517 L CB -0.780 41.166 42.059 -0.189 0.000 0.896 517 L HN 0.277 8.505 8.230 -0.004 0.000 0.434 518 G N -2.085 106.731 108.800 0.027 0.000 2.450 518 G HA2 -0.308 nan 3.960 nan 0.000 0.220 518 G HA3 -0.308 nan 3.960 nan 0.000 0.220 518 G C -0.208 174.710 174.900 0.029 0.000 1.130 518 G CA 0.971 46.110 45.100 0.065 0.000 0.760 518 G HN -0.068 8.050 8.290 0.067 0.212 0.557 519 A N 1.143 123.971 122.820 0.014 0.000 2.109 519 A HA 0.266 nan 4.320 nan 0.000 0.220 519 A C -0.412 177.163 177.584 -0.016 0.000 1.613 519 A CA 0.344 52.383 52.037 0.003 0.000 0.620 519 A CB 1.169 20.173 19.000 0.006 0.000 1.212 519 A HN -0.205 7.826 8.150 0.018 0.130 0.508 520 G N -1.850 106.936 108.800 -0.023 0.000 2.194 520 G HA2 -0.099 nan 3.960 nan 0.000 0.178 520 G HA3 -0.099 nan 3.960 nan 0.000 0.178 520 G C -1.815 173.070 174.900 -0.025 0.000 2.173 520 G CA -0.487 44.590 45.100 -0.038 0.000 1.042 520 G HN 0.017 8.298 8.290 -0.014 0.000 0.588 521 E N 0.973 121.162 120.200 -0.019 0.000 2.405 521 E HA 0.363 nan 4.350 nan 0.000 0.249 521 E C -0.838 175.768 176.600 0.011 0.000 1.028 521 E CA -0.693 55.711 56.400 0.007 0.000 0.897 521 E CB 1.460 31.182 29.700 0.037 0.000 1.262 521 E HN 0.076 8.416 8.360 -0.033 0.000 0.442 522 G N -0.313 108.506 108.800 0.032 0.000 4.566 522 G HA2 0.152 nan 3.960 nan 0.000 0.276 522 G HA3 0.152 nan 3.960 nan 0.000 0.276 522 G C -1.602 173.322 174.900 0.040 0.000 1.248 522 G CA 0.346 45.460 45.100 0.024 0.000 0.858 522 G HN 0.240 8.554 8.290 0.040 0.000 0.549 523 V N -0.137 119.834 119.914 0.096 0.000 2.374 523 V HA 0.137 nan 4.120 nan 0.000 0.241 523 V C -0.259 175.883 176.094 0.080 0.000 1.034 523 V CA 1.194 63.542 62.300 0.080 0.000 1.037 523 V CB 0.388 32.265 31.823 0.091 0.000 0.682 523 V HN 0.302 8.578 8.190 0.144 0.000 0.463 524 S N -2.230 113.551 115.700 0.135 0.000 4.572 524 S HA 0.034 nan 4.470 nan 0.000 0.234 524 S C -2.082 172.537 174.600 0.031 0.000 1.071 524 S CA -0.098 58.134 58.200 0.053 0.000 1.087 524 S CB 0.817 64.033 63.200 0.026 0.000 1.979 524 S HN -0.439 8.035 8.310 0.274 0.000 0.503 525 E N -0.022 120.173 120.200 -0.008 0.000 2.646 525 E HA 0.337 nan 4.350 nan 0.000 0.336 525 E C -2.139 174.420 176.600 -0.068 0.000 1.027 525 E CA -0.281 56.063 56.400 -0.094 0.000 0.765 525 E CB 2.162 31.787 29.700 -0.124 0.000 1.545 525 E HN 0.114 8.480 8.360 0.009 0.000 0.382 526 D N 3.021 123.402 120.400 -0.032 0.000 3.093 526 D HA 0.387 nan 4.640 nan 0.000 0.200 526 D C -0.909 175.358 176.300 -0.054 0.000 1.344 526 D CA -1.340 52.642 54.000 -0.030 0.000 1.133 526 D CB 3.141 43.944 40.800 0.005 0.000 1.188 526 D HN 0.021 8.389 8.370 -0.004 0.000 0.583 527 S N -0.383 115.297 115.700 -0.033 0.000 4.055 527 S HA 0.288 nan 4.470 nan 0.000 0.180 527 S C 1.800 176.382 174.600 -0.029 0.000 1.191 527 S CA 1.257 59.421 58.200 -0.061 0.000 1.195 527 S CB 1.263 64.418 63.200 -0.076 0.000 1.932 527 S HN 0.287 8.590 8.310 -0.011 0.000 0.781 528 T N 4.090 118.628 114.554 -0.027 0.000 2.951 528 T HA -0.147 nan 4.350 nan 0.000 0.268 528 T C 1.280 175.949 174.700 -0.052 0.000 1.073 528 T CA 4.480 66.593 62.100 0.023 0.000 1.134 528 T CB -0.213 68.706 68.868 0.086 0.000 0.884 528 T HN 0.545 8.755 8.240 -0.050 0.000 0.479 529 E N 0.263 120.428 120.200 -0.058 0.000 2.274 529 E HA -0.256 nan 4.350 nan 0.000 0.194 529 E C 1.847 178.405 176.600 -0.071 0.000 0.996 529 E CA 1.885 58.241 56.400 -0.073 0.000 0.840 529 E CB -1.423 28.253 29.700 -0.040 0.000 0.772 529 E HN -0.087 8.214 8.360 -0.059 0.024 0.491 530 Y N 2.646 122.857 120.300 -0.149 0.000 2.029 530 Y HA -0.539 nan 4.550 nan 0.000 0.269 530 Y C -0.231 175.604 175.900 -0.107 0.000 1.201 530 Y CA 3.684 61.715 58.100 -0.115 0.000 1.115 530 Y CB 0.146 38.535 38.460 -0.119 0.000 0.945 530 Y HN -0.366 7.760 8.280 0.068 0.195 0.497 531 C N -7.708 111.502 119.300 -0.149 0.000 3.730 531 C HA 0.168 nan 4.460 nan 0.000 0.397 531 C C 0.664 175.559 174.990 -0.159 0.000 1.468 531 C CA -1.435 57.405 59.018 -0.297 0.000 1.931 531 C CB 0.057 27.698 27.740 -0.166 0.000 2.773 531 C HN 0.329 8.577 8.230 0.030 0.000 0.692 532 S N 2.169 117.723 115.700 -0.244 0.000 2.361 532 S HA -0.209 nan 4.470 nan 0.000 0.214 532 S C 0.461 174.950 174.600 -0.185 0.000 1.034 532 S CA 2.479 60.353 58.200 -0.545 0.000 1.025 532 S CB 0.132 62.467 63.200 -1.441 0.000 0.996 532 S HN -0.286 7.881 8.310 -0.238 0.000 0.422 533 C N -0.108 119.106 119.300 -0.143 0.000 2.876 533 C HA -0.025 nan 4.460 nan 0.000 0.276 533 C C 0.672 175.898 174.990 0.393 0.000 1.582 533 C CA 1.265 60.435 59.018 0.254 0.000 2.061 533 C CB -0.072 27.782 27.740 0.190 0.000 2.044 533 C HN -0.197 7.757 8.230 -0.243 0.129 0.647 534 G N -0.680 108.471 108.800 0.585 0.000 2.728 534 G HA2 -0.265 nan 3.960 nan 0.000 0.686 534 G HA3 -0.265 nan 3.960 nan 0.000 0.686 534 G C -0.933 174.178 174.900 0.352 0.000 1.337 534 G CA -0.653 44.701 45.100 0.424 0.000 0.861 534 G HN 0.005 8.710 8.290 0.691 0.000 0.597 535 W N 2.051 123.332 121.300 -0.031 0.000 2.190 535 W HA 0.033 nan 4.660 nan 0.000 0.330 535 W C -1.333 175.144 176.519 -0.070 0.000 1.299 535 W CA -1.755 55.496 57.345 -0.156 0.000 1.215 535 W CB 1.181 30.687 29.460 0.077 0.000 1.147 535 W HN 0.647 8.977 8.180 0.413 0.098 0.563 536 P HA -0.176 nan 4.420 nan 0.000 0.266 536 P C -1.036 176.110 177.300 -0.257 0.000 1.195 536 P CA 0.352 63.251 63.100 -0.335 0.000 0.768 536 P CB 0.376 31.731 31.700 -0.574 0.000 0.838 537 E N 3.965 124.105 120.200 -0.100 0.000 2.077 537 E HA -0.393 nan 4.350 nan 0.000 0.193 537 E C 2.054 178.691 176.600 0.062 0.000 0.989 537 E CA 3.430 59.861 56.400 0.050 0.000 0.800 537 E CB 0.049 29.796 29.700 0.080 0.000 0.746 537 E HN 0.716 9.039 8.360 -0.062 0.000 0.452 538 H N -3.253 115.845 119.070 0.046 0.000 2.421 538 H HA -0.168 nan 4.556 nan 0.000 0.298 538 H C 1.810 177.291 175.328 0.254 0.000 1.087 538 H CA 2.419 58.516 56.048 0.081 0.000 1.330 538 H CB -0.741 29.061 29.762 0.067 0.000 1.388 538 H HN 0.223 8.460 8.280 -0.071 0.000 0.526 539 M N -2.002 117.517 119.600 -0.136 0.000 2.630 539 M HA -0.095 nan 4.480 nan 0.000 0.254 539 M C 1.717 178.227 176.300 0.350 0.000 1.092 539 M CA -0.355 55.003 55.300 0.097 0.000 1.087 539 M CB -1.542 30.961 32.600 -0.163 0.000 1.453 539 M HN -0.694 7.182 8.290 -0.614 0.047 0.509 540 L N -0.049 121.402 121.223 0.380 0.000 2.043 540 L HA -0.276 nan 4.340 nan 0.000 0.212 540 L C -0.453 176.541 176.870 0.207 0.000 1.075 540 L CA 2.936 57.988 54.840 0.353 0.000 0.752 540 L CB 0.232 42.535 42.059 0.407 0.000 0.891 540 L HN -0.511 7.774 8.230 0.386 0.176 0.432 541 I N -4.624 116.009 120.570 0.106 0.000 2.797 541 I HA 0.201 nan 4.170 nan 0.000 0.307 541 I C -1.989 174.150 176.117 0.038 0.000 1.033 541 I CA -3.556 57.722 61.300 -0.038 0.000 1.071 541 I CB 0.836 38.692 38.000 -0.240 0.000 1.255 541 I HN -0.522 7.795 8.210 0.191 0.008 0.445 542 P HA 0.074 nan 4.420 nan 0.000 0.272 542 P C -1.426 175.892 177.300 0.030 0.000 1.240 542 P CA -0.624 62.475 63.100 -0.001 0.000 0.791 542 P CB 0.641 32.275 31.700 -0.109 0.000 0.978 543 R N 0.284 120.844 120.500 0.100 0.000 2.081 543 R HA -0.291 nan 4.340 nan 0.000 0.235 543 R C 0.694 177.054 176.300 0.100 0.000 1.131 543 R CA 1.126 57.253 56.100 0.045 0.000 0.960 543 R CB 0.581 30.753 30.300 -0.214 0.000 0.856 543 R HN -0.110 8.496 8.270 0.166 -0.236 0.436 544 G N -2.127 106.753 108.800 0.134 0.000 2.593 544 G HA2 -0.357 nan 3.960 nan 0.000 0.237 544 G HA3 -0.357 nan 3.960 nan 0.000 0.237 544 G C -1.006 173.988 174.900 0.158 0.000 1.312 544 G CA -0.320 44.916 45.100 0.227 0.000 0.896 544 G HN -0.665 7.709 8.290 0.141 0.000 0.574 545 S N -0.557 115.245 115.700 0.170 0.000 2.685 545 S HA 0.307 nan 4.470 nan 0.000 0.282 545 S C 0.206 174.925 174.600 0.199 0.000 1.159 545 S CA -1.579 56.714 58.200 0.155 0.000 0.833 545 S CB 2.842 66.096 63.200 0.088 0.000 1.151 545 S HN -0.401 8.020 8.310 0.184 0.000 0.485 546 H N 4.133 123.285 119.070 0.136 0.000 2.421 546 H HA -0.225 nan 4.556 nan 0.000 0.298 546 H C -0.556 174.814 175.328 0.069 0.000 1.087 546 H CA 3.202 59.321 56.048 0.117 0.000 1.330 546 H CB 0.335 30.147 29.762 0.083 0.000 1.388 546 H HN 0.703 9.156 8.280 0.288 0.000 0.526 547 K N -5.585 114.899 120.400 0.140 0.000 2.211 547 K HA -0.183 nan 4.320 nan 0.000 0.203 547 K C 0.163 176.774 176.600 0.019 0.000 1.050 547 K CA 0.306 56.633 56.287 0.066 0.000 0.945 547 K CB -0.144 32.374 32.500 0.030 0.000 0.732 547 K HN -0.221 8.121 8.250 0.172 0.012 0.451 548 G N 0.837 109.658 108.800 0.035 0.000 2.894 548 G HA2 -0.325 nan 3.960 nan 0.000 0.263 548 G HA3 -0.325 nan 3.960 nan 0.000 0.263 548 G C -1.383 173.555 174.900 0.063 0.000 1.013 548 G CA -0.534 44.595 45.100 0.048 0.000 1.226 548 G HN -0.426 7.718 8.290 0.062 0.183 0.563 549 M N 2.109 121.776 119.600 0.113 0.000 2.243 549 M HA -0.047 nan 4.480 nan 0.000 0.341 549 M C -1.491 174.882 176.300 0.122 0.000 1.130 549 M CA 0.546 55.886 55.300 0.067 0.000 1.162 549 M CB 2.191 34.851 32.600 0.099 0.000 1.497 549 M HN 0.076 8.466 8.290 0.166 0.000 0.456 550 E N 3.252 123.468 120.200 0.028 0.000 2.227 550 E HA 0.545 nan 4.350 nan 0.000 0.282 550 E C -0.933 175.550 176.600 -0.196 0.000 1.015 550 E CA -0.177 56.271 56.400 0.081 0.000 0.823 550 E CB 1.321 31.137 29.700 0.193 0.000 1.081 550 E HN 0.225 8.596 8.360 0.017 0.000 0.396 551 F N 3.087 123.074 119.950 0.061 0.000 2.576 551 F HA 0.540 nan 4.527 nan 0.000 0.313 551 F C -1.597 174.230 175.800 0.043 0.000 1.078 551 F CA -1.374 56.646 58.000 0.034 0.000 0.921 551 F CB 4.361 43.375 39.000 0.023 0.000 1.232 551 F HN 0.591 9.072 8.300 0.300 0.000 0.459 552 E N 1.520 121.850 120.200 0.218 0.000 2.313 552 E HA 0.434 nan 4.350 nan 0.000 0.276 552 E C -1.838 174.934 176.600 0.287 0.000 1.031 552 E CA -0.837 55.692 56.400 0.215 0.000 0.857 552 E CB 2.408 32.233 29.700 0.209 0.000 1.040 552 E HN 0.819 9.180 8.360 0.157 0.093 0.408 553 L N 6.896 128.273 121.223 0.256 0.000 2.305 553 L HA 0.639 nan 4.340 nan 0.000 0.284 553 L C -2.270 174.775 176.870 0.292 0.000 1.013 553 L CA -0.793 54.194 54.840 0.244 0.000 0.819 553 L CB 2.353 44.508 42.059 0.160 0.000 1.227 553 L HN 0.401 8.658 8.230 0.213 0.101 0.417 554 F N 9.498 129.565 119.950 0.196 0.000 2.482 554 F HA 0.674 nan 4.527 nan 0.000 0.331 554 F C -2.412 173.473 175.800 0.143 0.000 1.115 554 F CA -1.924 56.191 58.000 0.192 0.000 0.955 554 F CB 3.549 42.713 39.000 0.274 0.000 1.136 554 F HN 0.764 9.327 8.300 0.439 0.000 0.452 555 V N 8.457 128.006 119.914 -0.608 0.000 2.588 555 V HA 0.721 nan 4.120 nan 0.000 0.304 555 V C -2.532 173.139 176.094 -0.704 0.000 1.042 555 V CA -1.440 60.596 62.300 -0.440 0.000 0.877 555 V CB 2.952 34.611 31.823 -0.274 0.000 0.996 555 V HN 0.991 8.694 8.190 -0.812 0.000 0.425 556 M N 5.541 124.924 119.600 -0.363 0.000 2.457 556 M HA 0.852 nan 4.480 nan 0.000 0.300 556 M C -2.639 173.586 176.300 -0.124 0.000 1.141 556 M CA -1.298 53.862 55.300 -0.234 0.000 0.901 556 M CB 4.391 37.011 32.600 0.033 0.000 1.687 556 M HN 0.663 8.847 8.290 -0.177 0.000 0.449 557 L N 5.084 126.244 121.223 -0.106 0.000 2.346 557 L HA 0.687 nan 4.340 nan 0.000 0.276 557 L C -1.710 175.096 176.870 -0.107 0.000 1.006 557 L CA -0.767 53.991 54.840 -0.138 0.000 0.817 557 L CB 1.952 43.913 42.059 -0.162 0.000 1.272 557 L HN 0.439 8.614 8.230 -0.092 0.000 0.421 558 T N 2.328 116.780 114.554 -0.170 0.000 2.916 558 T HA 0.367 nan 4.350 nan 0.000 0.292 558 T C -1.878 172.585 174.700 -0.394 0.000 1.064 558 T CA -1.409 60.597 62.100 -0.157 0.000 1.011 558 T CB 3.288 72.140 68.868 -0.026 0.000 1.152 558 T HN 0.038 8.157 8.240 -0.202 0.000 0.510 559 D N 1.478 121.668 120.400 -0.350 0.000 2.358 559 D HA 0.074 nan 4.640 nan 0.000 0.258 559 D C 0.343 176.602 176.300 -0.068 0.000 1.223 559 D CA -0.609 53.192 54.000 -0.332 0.000 0.886 559 D CB 0.687 41.611 40.800 0.207 0.000 1.120 559 D HN 0.396 8.716 8.370 -0.083 0.000 0.482 560 H N 8.743 127.782 119.070 -0.053 0.000 2.389 560 H HA -0.334 nan 4.556 nan 0.000 0.299 560 H C 1.729 177.076 175.328 0.032 0.000 1.081 560 H CA 4.136 60.227 56.048 0.072 0.000 1.345 560 H CB 0.623 30.598 29.762 0.355 0.000 1.393 560 H HN 0.236 8.561 8.280 0.074 0.000 0.520 561 D N -1.799 118.669 120.400 0.112 0.000 2.123 561 D HA -0.306 nan 4.640 nan 0.000 0.196 561 D C 1.973 178.232 176.300 -0.069 0.000 0.992 561 D CA 3.272 57.287 54.000 0.025 0.000 0.833 561 D CB -0.934 39.926 40.800 0.101 0.000 0.954 561 D HN -0.144 8.647 8.370 0.209 -0.296 0.455 562 E N -0.930 119.248 120.200 -0.035 0.000 2.038 562 E HA -0.265 nan 4.350 nan 0.000 0.195 562 E C 0.653 177.168 176.600 -0.142 0.000 1.000 562 E CA 2.459 58.822 56.400 -0.062 0.000 0.803 562 E CB -0.057 29.631 29.700 -0.020 0.000 0.750 562 E HN -0.070 8.303 8.360 0.025 0.002 0.448 563 D N -3.135 117.145 120.400 -0.200 0.000 2.104 563 D HA -0.115 nan 4.640 nan 0.000 0.194 563 D C 0.546 176.661 176.300 -0.309 0.000 0.994 563 D CA 2.204 56.053 54.000 -0.251 0.000 0.830 563 D CB 0.787 41.436 40.800 -0.253 0.000 0.959 563 D HN -0.273 7.937 8.370 -0.170 0.059 0.452 564 T N -4.863 109.398 114.554 -0.489 0.000 2.772 564 T HA 0.360 nan 4.350 nan 0.000 0.288 564 T C 0.525 175.082 174.700 -0.239 0.000 0.994 564 T CA -1.314 60.563 62.100 -0.372 0.000 0.951 564 T CB 1.135 69.742 68.868 -0.435 0.000 0.933 564 T HN -0.239 7.607 8.240 -0.656 0.000 0.447 565 V N 4.206 124.031 119.914 -0.148 0.000 2.283 565 V HA -0.118 nan 4.120 nan 0.000 0.243 565 V C -0.254 175.789 176.094 -0.086 0.000 1.039 565 V CA 2.772 65.013 62.300 -0.098 0.000 1.016 565 V CB 0.109 31.892 31.823 -0.066 0.000 0.650 565 V HN 0.691 8.799 8.190 -0.138 0.000 0.449 566 A N -1.840 120.932 122.820 -0.081 0.000 2.535 566 A HA 0.289 nan 4.320 nan 0.000 0.296 566 A C -1.288 176.253 177.584 -0.071 0.000 1.248 566 A CA -0.773 51.225 52.037 -0.065 0.000 0.686 566 A CB 1.754 20.729 19.000 -0.042 0.000 1.315 566 A HN -0.765 7.332 8.150 -0.088 0.000 0.460 567 G N -2.821 105.945 108.800 -0.057 0.000 2.226 567 G HA2 -0.177 nan 3.960 nan 0.000 0.176 567 G HA3 -0.177 nan 3.960 nan 0.000 0.176 567 G C -1.013 173.850 174.900 -0.062 0.000 1.042 567 G CA -0.279 44.788 45.100 -0.056 0.000 0.732 567 G HN 0.376 8.635 8.290 -0.051 0.000 0.494 568 L N -1.069 120.119 121.223 -0.058 0.000 2.599 568 L HA 0.240 nan 4.340 nan 0.000 0.241 568 L C -0.504 176.337 176.870 -0.049 0.000 1.207 568 L CA -0.392 54.413 54.840 -0.058 0.000 0.987 568 L CB 0.183 42.195 42.059 -0.079 0.000 1.318 568 L HN -0.249 7.946 8.230 -0.057 0.000 0.458 569 S N 2.267 117.945 115.700 -0.037 0.000 2.407 569 S HA -0.038 nan 4.470 nan 0.000 0.160 569 S C -0.255 174.330 174.600 -0.025 0.000 1.066 569 S CA 0.214 58.397 58.200 -0.028 0.000 1.501 569 S CB 0.626 63.813 63.200 -0.020 0.000 0.675 569 S HN -0.149 8.257 8.310 -0.037 -0.118 0.421 570 E N 2.314 122.502 120.200 -0.019 0.000 2.316 570 E HA 0.023 nan 4.350 nan 0.000 0.275 570 E C -0.658 175.932 176.600 -0.016 0.000 1.029 570 E CA -0.029 56.361 56.400 -0.016 0.000 0.871 570 E CB 0.586 30.279 29.700 -0.012 0.000 1.022 570 E HN 0.185 8.535 8.360 -0.016 0.000 0.418 571 N N 2.364 121.054 118.700 -0.017 0.000 2.327 571 N HA -0.088 nan 4.740 nan 0.000 0.285 571 N C -0.781 174.719 175.510 -0.016 0.000 1.299 571 N CA -0.266 52.774 53.050 -0.017 0.000 0.944 571 N CB 0.482 38.958 38.487 -0.018 0.000 1.067 571 N HN -0.044 8.325 8.380 -0.017 0.000 0.514 572 A N -0.652 122.157 122.820 -0.018 0.000 2.541 572 A HA -0.023 nan 4.320 nan 0.000 0.293 572 A C -0.758 176.814 177.584 -0.020 0.000 1.307 572 A CA 0.184 52.207 52.037 -0.024 0.000 0.978 572 A CB -1.007 17.975 19.000 -0.030 0.000 1.111 572 A HN 0.151 8.290 8.150 -0.018 0.000 0.535 573 V N -1.834 118.069 119.914 -0.017 0.000 5.412 573 V HA 0.592 nan 4.120 nan 0.000 0.289 573 V C -0.482 175.616 176.094 0.006 0.000 1.523 573 V CA -1.421 60.879 62.300 0.001 0.000 0.771 573 V CB 1.324 33.150 31.823 0.005 0.000 1.379 573 V HN -0.364 7.812 8.190 -0.022 0.000 0.431 574 C N 0.976 120.311 119.300 0.058 0.000 2.548 574 C HA -0.074 nan 4.460 nan 0.000 0.284 574 C C 0.436 175.385 174.990 -0.069 0.000 1.252 574 C CA 2.354 61.438 59.018 0.111 0.000 1.725 574 C CB -0.116 27.823 27.740 0.333 0.000 2.098 574 C HN -0.074 8.388 8.230 0.061 -0.195 0.471 575 S N -1.577 114.114 115.700 -0.015 0.000 2.632 575 S HA 0.077 nan 4.470 nan 0.000 0.271 575 S C -1.228 173.347 174.600 -0.043 0.000 1.260 575 S CA 0.499 58.667 58.200 -0.054 0.000 1.010 575 S CB 1.233 64.428 63.200 -0.008 0.000 0.965 575 S HN -0.028 8.289 8.310 0.012 0.000 0.534 576 D N -1.171 119.206 120.400 -0.038 0.000 2.673 576 D HA 0.040 nan 4.640 nan 0.000 0.278 576 D C -1.912 174.399 176.300 0.018 0.000 1.393 576 D CA -0.408 53.581 54.000 -0.020 0.000 0.805 576 D CB 0.319 41.089 40.800 -0.050 0.000 1.110 576 D HN 0.221 8.561 8.370 -0.049 0.000 0.476 577 A N -0.170 122.689 122.820 0.065 0.000 2.409 577 A HA 0.349 nan 4.320 nan 0.000 0.300 577 A C -0.424 177.243 177.584 0.139 0.000 1.273 577 A CA -1.006 51.088 52.037 0.094 0.000 0.774 577 A CB 1.079 20.171 19.000 0.152 0.000 1.144 577 A HN -0.578 7.616 8.150 0.072 0.000 0.472 578 V N -1.542 118.434 119.914 0.104 0.000 2.488 578 V HA -0.160 nan 4.120 nan 0.000 0.246 578 V C 1.485 177.768 176.094 0.316 0.000 1.046 578 V CA 2.321 64.713 62.300 0.154 0.000 1.053 578 V CB -0.493 31.340 31.823 0.017 0.000 0.679 578 V HN 0.637 8.863 8.190 0.061 0.000 0.458 579 S N 2.738 118.558 115.700 0.201 0.000 2.374 579 S HA -0.339 nan 4.470 nan 0.000 0.227 579 S C 0.861 175.720 174.600 0.432 0.000 1.037 579 S CA 3.761 62.116 58.200 0.259 0.000 1.024 579 S CB -0.015 63.119 63.200 -0.110 0.000 0.861 579 S HN -0.406 7.945 8.310 0.069 0.000 0.456 580 Y N -5.125 115.383 120.300 0.347 0.000 2.558 580 Y HA 0.220 nan 4.550 nan 0.000 0.273 580 Y C 0.841 177.015 175.900 0.458 0.000 1.100 580 Y CA -0.112 58.209 58.100 0.369 0.000 1.276 580 Y CB 0.646 39.292 38.460 0.309 0.000 1.196 580 Y HN -0.146 8.268 8.280 0.254 0.019 0.527 581 C N -3.748 115.902 119.300 0.583 0.000 2.504 581 C HA 0.113 nan 4.460 nan 0.000 0.279 581 C C 0.242 175.480 174.990 0.414 0.000 1.358 581 C CA 1.412 60.724 59.018 0.491 0.000 1.747 581 C CB -0.017 27.952 27.740 0.382 0.000 2.037 581 C HN -0.461 8.064 8.230 0.492 0.000 0.503 582 G N -0.782 108.279 108.800 0.435 0.000 2.660 582 G HA2 -0.324 nan 3.960 nan 0.000 0.215 582 G HA3 -0.324 nan 3.960 nan 0.000 0.215 582 G C -2.171 172.862 174.900 0.222 0.000 1.345 582 G CA -0.523 44.830 45.100 0.422 0.000 0.877 582 G HN -0.368 8.066 8.290 0.454 0.128 0.549 583 A N 0.033 122.939 122.820 0.143 0.000 2.380 583 A HA 0.284 nan 4.320 nan 0.000 0.315 583 A C -0.552 177.049 177.584 0.028 0.000 1.101 583 A CA -1.654 50.419 52.037 0.060 0.000 0.771 583 A CB 2.418 21.431 19.000 0.022 0.000 1.287 583 A HN 0.078 8.328 8.150 0.168 0.000 0.436 584 R N 1.716 122.214 120.500 -0.003 0.000 2.446 584 R HA -0.230 nan 4.340 nan 0.000 0.314 584 R C -0.237 176.049 176.300 -0.023 0.000 1.003 584 R CA 1.116 57.194 56.100 -0.036 0.000 1.018 584 R CB -0.620 29.658 30.300 -0.038 0.000 0.945 584 R HN 0.493 8.764 8.270 0.002 0.000 0.419 585 D N 2.944 123.326 120.400 -0.031 0.000 2.983 585 D HA -0.288 nan 4.640 nan 0.000 0.225 585 D C -1.495 174.811 176.300 0.010 0.000 1.174 585 D CA 1.890 55.889 54.000 -0.002 0.000 0.831 585 D CB -0.319 40.489 40.800 0.015 0.000 1.104 585 D HN 0.202 8.535 8.370 -0.062 0.000 0.421 586 D N -1.421 118.985 120.400 0.011 0.000 2.602 586 D HA 0.187 nan 4.640 nan 0.000 0.236 586 D C -2.151 174.171 176.300 0.037 0.000 1.209 586 D CA -1.240 52.770 54.000 0.017 0.000 0.831 586 D CB 2.618 43.419 40.800 0.003 0.000 1.478 586 D HN -0.887 7.419 8.370 0.008 0.070 0.438 587 R N 3.829 124.351 120.500 0.037 0.000 2.566 587 R HA -0.267 nan 4.340 nan 0.000 0.273 587 R C -0.405 175.938 176.300 0.072 0.000 0.981 587 R CA 0.994 57.132 56.100 0.063 0.000 1.091 587 R CB 0.595 30.913 30.300 0.030 0.000 0.924 587 R HN 0.300 8.584 8.270 0.023 0.000 0.411 588 Y N 6.898 127.225 120.300 0.044 0.000 2.846 588 Y HA -0.069 nan 4.550 nan 0.000 0.352 588 Y C -0.891 175.017 175.900 0.014 0.000 1.298 588 Y CA -1.828 56.297 58.100 0.042 0.000 1.634 588 Y CB 0.462 38.948 38.460 0.044 0.000 1.214 588 Y HN 0.130 8.566 8.280 0.259 0.000 0.529 589 P HA -0.117 nan 4.420 nan 0.000 0.269 589 P C -1.998 175.109 177.300 -0.323 0.000 1.376 589 P CA 0.567 63.467 63.100 -0.334 0.000 0.775 589 P CB -0.445 31.092 31.700 -0.271 0.000 1.345 590 D N -1.579 118.633 120.400 -0.314 0.000 2.896 590 D HA 0.121 nan 4.640 nan 0.000 0.241 590 D C -1.186 175.108 176.300 -0.010 0.000 1.188 590 D CA -1.489 52.425 54.000 -0.144 0.000 0.879 590 D CB 2.693 43.452 40.800 -0.068 0.000 1.553 590 D HN -0.593 7.507 8.370 -0.320 0.078 0.515 591 K N 3.618 123.974 120.400 -0.074 0.000 2.097 591 K HA -0.217 nan 4.320 nan 0.000 0.205 591 K C 0.974 177.530 176.600 -0.073 0.000 1.050 591 K CA 1.159 57.404 56.287 -0.069 0.000 0.938 591 K CB 0.510 32.943 32.500 -0.112 0.000 0.718 591 K HN 0.276 8.350 8.250 -0.125 0.101 0.442 592 K N -0.914 119.413 120.400 -0.122 0.000 2.380 592 K HA -0.183 nan 4.320 nan 0.000 0.267 592 K C -0.360 176.215 176.600 -0.041 0.000 0.990 592 K CA -0.028 56.136 56.287 -0.204 0.000 0.946 592 K CB 0.328 32.598 32.500 -0.382 0.000 0.937 592 K HN -0.607 7.856 8.250 -0.128 -0.290 0.491 593 A N 1.085 123.894 122.820 -0.018 0.000 2.483 593 A HA 0.111 nan 4.320 nan 0.000 0.238 593 A C 0.362 178.003 177.584 0.094 0.000 1.070 593 A CA 0.287 52.360 52.037 0.060 0.000 0.770 593 A CB 0.458 19.531 19.000 0.121 0.000 1.008 593 A HN 0.210 8.309 8.150 -0.085 0.000 0.497 594 M N 2.616 122.215 119.600 -0.002 0.000 2.246 594 M HA -0.311 nan 4.480 nan 0.000 0.350 594 M C 0.811 177.156 176.300 0.074 0.000 1.406 594 M CA 2.180 57.364 55.300 -0.193 0.000 1.089 594 M CB -0.035 32.163 32.600 -0.669 0.000 1.782 594 M HN -0.215 8.305 8.290 -0.001 -0.230 0.457 595 G N 1.001 109.921 108.800 0.201 0.000 2.176 595 G HA2 -0.319 nan 3.960 nan 0.000 0.232 595 G HA3 -0.319 nan 3.960 nan 0.000 0.232 595 G C -0.717 174.301 174.900 0.196 0.000 0.986 595 G CA -0.427 44.914 45.100 0.401 0.000 0.643 595 G HN 0.293 8.678 8.290 0.159 0.000 0.522 596 F N 3.333 123.301 119.950 0.030 0.000 2.602 596 F HA -0.034 nan 4.527 nan 0.000 0.367 596 F C -2.195 173.430 175.800 -0.291 0.000 1.126 596 F CA -0.955 56.962 58.000 -0.138 0.000 1.321 596 F CB 1.121 40.045 39.000 -0.127 0.000 1.094 596 F HN -0.512 7.923 8.300 0.338 0.067 0.594 597 P HA -0.047 nan 4.420 nan 0.000 0.245 597 P C 0.016 176.637 177.300 -1.132 0.000 1.212 597 P CA 0.979 62.931 63.100 -1.914 0.000 0.774 597 P CB -0.072 30.581 31.700 -1.745 0.000 0.999 598 F N -0.797 118.781 119.950 -0.620 0.000 2.407 598 F HA -0.339 nan 4.527 nan 0.000 0.299 598 F C 0.522 176.236 175.800 -0.144 0.000 1.097 598 F CA 2.879 60.598 58.000 -0.468 0.000 1.422 598 F CB -0.925 37.749 39.000 -0.542 0.000 1.067 598 F HN -0.043 7.642 8.300 -0.887 0.083 0.539 599 D N -2.834 117.643 120.400 0.128 0.000 2.178 599 D HA -0.318 nan 4.640 nan 0.000 0.201 599 D C 0.370 176.765 176.300 0.158 0.000 0.980 599 D CA 2.177 56.300 54.000 0.205 0.000 0.842 599 D CB -0.453 40.494 40.800 0.245 0.000 0.948 599 D HN 0.024 8.391 8.370 0.076 0.049 0.472 600 R N -1.586 119.010 120.500 0.159 0.000 2.691 600 R HA 0.156 nan 4.340 nan 0.000 0.259 600 R C -0.361 175.956 176.300 0.029 0.000 1.048 600 R CA -1.209 54.918 56.100 0.045 0.000 1.086 600 R CB 1.500 31.700 30.300 -0.167 0.000 1.166 600 R HN -0.896 7.534 8.270 0.266 0.000 0.526 601 K N 0.907 121.312 120.400 0.009 0.000 2.436 601 K HA -0.111 nan 4.320 nan 0.000 0.275 601 K C -0.659 175.953 176.600 0.021 0.000 0.999 601 K CA 0.520 56.814 56.287 0.013 0.000 0.980 601 K CB 0.383 32.887 32.500 0.006 0.000 0.919 601 K HN 0.261 8.507 8.250 -0.007 0.000 0.484 602 I N 5.013 125.589 120.570 0.010 0.000 2.362 602 I HA -0.048 nan 4.170 nan 0.000 0.289 602 I C -0.782 175.373 176.117 0.065 0.000 0.994 602 I CA -0.688 60.630 61.300 0.030 0.000 1.158 602 I CB 1.018 38.963 38.000 -0.091 0.000 1.315 602 I HN 0.136 8.348 8.210 0.004 0.000 0.451 603 E N 7.055 127.321 120.200 0.109 0.000 2.106 603 E HA -0.184 nan 4.350 nan 0.000 0.192 603 E C -0.229 176.420 176.600 0.082 0.000 0.984 603 E CA 1.857 58.308 56.400 0.085 0.000 0.806 603 E CB 0.438 30.192 29.700 0.091 0.000 0.750 603 E HN 0.379 8.836 8.360 0.162 0.000 0.458 604 A N -3.017 119.875 122.820 0.120 0.000 2.407 604 A HA 0.045 nan 4.320 nan 0.000 0.248 604 A C 0.632 178.260 177.584 0.073 0.000 1.082 604 A CA 0.294 52.394 52.037 0.105 0.000 0.785 604 A CB 0.554 19.646 19.000 0.153 0.000 1.020 604 A HN -0.415 7.813 8.150 0.173 0.026 0.489 605 R N -0.197 120.336 120.500 0.054 0.000 2.090 605 R HA -0.142 nan 4.340 nan 0.000 0.228 605 R C -0.009 176.312 176.300 0.036 0.000 1.110 605 R CA 1.306 57.427 56.100 0.035 0.000 0.973 605 R CB 0.314 30.629 30.300 0.025 0.000 0.869 605 R HN 0.471 8.775 8.270 0.056 0.000 0.440 606 T N -3.994 110.592 114.554 0.054 0.000 2.908 606 T HA 0.290 nan 4.350 nan 0.000 0.290 606 T C -0.619 174.140 174.700 0.098 0.000 1.034 606 T CA -2.119 60.015 62.100 0.056 0.000 1.010 606 T CB 2.794 71.690 68.868 0.046 0.000 1.068 606 T HN -0.935 7.345 8.240 0.066 0.000 0.481 607 A N 4.969 127.850 122.820 0.102 0.000 1.933 607 A HA -0.168 nan 4.320 nan 0.000 0.218 607 A C 1.604 179.311 177.584 0.206 0.000 1.175 607 A CA 3.102 55.231 52.037 0.154 0.000 0.628 607 A CB -0.186 18.914 19.000 0.166 0.000 0.814 607 A HN 0.431 8.624 8.150 0.072 0.000 0.444 608 A N -2.286 120.626 122.820 0.154 0.000 1.940 608 A HA -0.270 nan 4.320 nan 0.000 0.219 608 A C 2.377 180.045 177.584 0.140 0.000 1.176 608 A CA 2.738 54.862 52.037 0.146 0.000 0.631 608 A CB -0.639 18.418 19.000 0.095 0.000 0.814 608 A HN -0.340 7.859 8.150 0.116 0.021 0.446 609 E N -1.884 118.392 120.200 0.127 0.000 2.153 609 E HA -0.319 nan 4.350 nan 0.000 0.194 609 E C 1.050 177.717 176.600 0.112 0.000 0.988 609 E CA 1.948 58.407 56.400 0.099 0.000 0.811 609 E CB -0.187 29.566 29.700 0.089 0.000 0.746 609 E HN -0.563 7.758 8.360 0.124 0.114 0.466 610 F N -2.737 117.236 119.950 0.038 0.000 2.186 610 F HA -0.226 nan 4.527 nan 0.000 0.299 610 F C -0.287 175.534 175.800 0.035 0.000 1.090 610 F CA 1.418 59.431 58.000 0.022 0.000 1.307 610 F CB 0.623 39.619 39.000 -0.006 0.000 1.019 610 F HN -0.680 7.645 8.300 0.312 0.162 0.489 611 L N -1.018 120.288 121.223 0.139 0.000 2.525 611 L HA -0.128 nan 4.340 nan 0.000 0.278 611 L C 0.388 177.223 176.870 -0.059 0.000 1.218 611 L CA 0.854 55.757 54.840 0.104 0.000 0.878 611 L CB -0.152 42.001 42.059 0.157 0.000 1.127 611 L HN -0.709 7.498 8.230 0.216 0.152 0.492 612 T N -0.360 114.151 114.554 -0.070 0.000 2.910 612 T HA 0.476 nan 4.350 nan 0.000 0.279 612 T C -0.609 174.077 174.700 -0.023 0.000 0.989 612 T CA -3.107 58.948 62.100 -0.074 0.000 0.968 612 T CB 0.480 69.297 68.868 -0.085 0.000 1.135 612 T HN -0.521 7.712 8.240 -0.012 0.000 0.562 613 P HA -0.030 nan 4.420 nan 0.000 0.223 613 P C -0.757 176.544 177.300 0.001 0.000 1.151 613 P CA 1.931 65.027 63.100 -0.007 0.000 0.787 613 P CB 0.139 31.834 31.700 -0.007 0.000 0.788 614 N N -4.034 114.675 118.700 0.015 0.000 2.327 614 N HA 0.018 nan 4.740 nan 0.000 0.231 614 N C -1.594 173.888 175.510 -0.047 0.000 1.130 614 N CA -0.829 52.232 53.050 0.018 0.000 0.845 614 N CB -0.282 38.262 38.487 0.095 0.000 1.073 614 N HN -0.460 7.889 8.380 0.017 0.041 0.496 615 M N -1.145 118.410 119.600 -0.074 0.000 2.619 615 M HA 0.587 nan 4.480 nan 0.000 0.297 615 M C -1.419 174.762 176.300 -0.199 0.000 1.229 615 M CA -0.416 54.765 55.300 -0.198 0.000 0.860 615 M CB 5.277 37.884 32.600 0.013 0.000 1.741 615 M HN -0.695 7.478 8.290 -0.041 0.092 0.462 616 G N -1.025 107.548 108.800 -0.379 0.000 2.742 616 G HA2 0.243 nan 3.960 nan 0.000 0.296 616 G HA3 0.243 nan 3.960 nan 0.000 0.296 616 G C -3.576 171.244 174.900 -0.133 0.000 1.436 616 G CA 0.130 45.130 45.100 -0.167 0.000 0.928 616 G HN 0.469 8.278 8.290 -0.802 0.000 0.520 617 L N 0.174 121.427 121.223 0.050 0.000 2.381 617 L HA 0.755 nan 4.340 nan 0.000 0.274 617 L C -0.880 176.052 176.870 0.103 0.000 0.988 617 L CA -0.610 54.320 54.840 0.150 0.000 0.824 617 L CB 3.032 45.239 42.059 0.247 0.000 1.263 617 L HN 0.053 8.317 8.230 0.056 0.000 0.410 618 T N 5.753 120.373 114.554 0.109 0.000 2.824 618 T HA 0.368 nan 4.350 nan 0.000 0.282 618 T C -1.983 172.781 174.700 0.106 0.000 0.993 618 T CA -1.187 60.966 62.100 0.089 0.000 0.967 618 T CB 2.135 71.050 68.868 0.078 0.000 0.960 618 T HN 0.745 8.952 8.240 0.134 0.113 0.441 619 D N 4.551 125.004 120.400 0.088 0.000 2.249 619 D HA 0.650 nan 4.640 nan 0.000 0.246 619 D C -1.025 175.328 176.300 0.089 0.000 1.114 619 D CA -0.928 53.128 54.000 0.094 0.000 0.854 619 D CB 0.491 41.332 40.800 0.069 0.000 1.132 619 D HN 0.057 8.470 8.370 0.073 0.000 0.461 620 I N -4.490 116.147 120.570 0.112 0.000 3.108 620 I HA 0.749 nan 4.170 nan 0.000 0.312 620 I C -1.877 174.316 176.117 0.127 0.000 1.095 620 I CA -2.570 58.782 61.300 0.086 0.000 1.000 620 I CB 3.828 41.854 38.000 0.043 0.000 1.229 620 I HN 0.393 8.692 8.210 0.148 0.000 0.454 621 K N -0.629 119.826 120.400 0.091 0.000 2.259 621 K HA 0.764 nan 4.320 nan 0.000 0.249 621 K C -1.576 175.082 176.600 0.098 0.000 0.942 621 K CA -2.228 54.135 56.287 0.127 0.000 0.816 621 K CB 3.055 35.600 32.500 0.076 0.000 1.155 621 K HN 0.268 8.544 8.250 0.043 0.000 0.428 622 I N 2.698 123.368 120.570 0.168 0.000 2.389 622 I HA 0.528 nan 4.170 nan 0.000 0.288 622 I C -2.040 174.144 176.117 0.112 0.000 0.999 622 I CA -0.985 60.367 61.300 0.087 0.000 1.129 622 I CB 1.943 39.965 38.000 0.036 0.000 1.288 622 I HN 0.700 9.079 8.210 0.282 0.000 0.444 623 K N 5.117 125.555 120.400 0.063 0.000 2.345 623 K HA 0.611 nan 4.320 nan 0.000 0.255 623 K C -1.776 174.874 176.600 0.083 0.000 0.934 623 K CA -2.343 53.974 56.287 0.050 0.000 0.801 623 K CB 2.776 35.247 32.500 -0.048 0.000 1.137 623 K HN 0.571 8.841 8.250 0.034 0.000 0.424 624 F N 4.897 124.847 119.950 0.000 0.000 2.375 624 F HA 0.342 nan 4.527 nan 0.000 0.333 624 F C -1.649 174.198 175.800 0.079 0.000 1.104 624 F CA -0.964 57.060 58.000 0.040 0.000 1.149 624 F CB 2.662 41.683 39.000 0.035 0.000 1.190 624 F HN 0.547 8.828 8.300 0.255 0.171 0.533 625 H N 7.125 125.551 119.070 -1.073 0.000 2.481 625 H HA 0.309 nan 4.556 nan 0.000 0.333 625 H C -1.223 173.672 175.328 -0.722 0.000 1.066 625 H CA -1.698 53.988 56.048 -0.604 0.000 1.209 625 H CB 3.243 32.741 29.762 -0.440 0.000 1.445 625 H HN 0.332 7.502 8.280 -1.850 0.000 0.488 626 G N 0.000 108.526 108.800 -0.457 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 45.010 45.100 -0.150 0.000 0.502 626 G HN 0.000 8.009 8.290 -0.468 0.000 0.925