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 2xe4_1_A DATA FIRST_RESID 10 DATA SEQUENCE SAQPPIAAKK PHRVTLGYVE GEDRGPNPMN PPRYREDPYF WMRDDDRKDP DATA SEQUENCE AVIEHLNKEK VYFQARSADI AQLRDDIYAE HISHINEDDM SAPYVYGKYR DATA SEQUENCE YYTREVKGKP YKIYCRVFTD KEPGDVAAEE VIIDVNQVAE GKAFCDVMEV DATA SEQUENCE KPAPPEHDLV AFSVDMSGNE VYTIEFKRIS DPSQTIADKV SGTNGEIVWG DATA SEQUENCE PDHTSLFYVT KDETLRENKV WRHVMGKLQS EDVCLYEEHN PLFSAFMYKA DATA SEQUENCE ADTNTLCIGS QSPETAEVHL LDLRKGNAHN TLEIVRPREK GVRYDVQMHG DATA SEQUENCE TSHLVILTNE GGAVNHKLLI APRGQPSDWS HVLVDHSEDV FMESIAVRSN DATA SEQUENCE YLVVAGRRAG LTRIWTMMAD SQDGVFKAGT GLREVVMEEP IFTVHLVESQ DATA SEQUENCE MLEYEEPTFR MEYSSLATPN TWFDVSPQDH SRTAVKVREV GGGFDAANYK DATA SEQUENCE VERRFATAPD QTKIPLSVVY HKDLDMSQPQ PCMLYGYGSY GLSMDPQFSI DATA SEQUENCE QHLPYCDRGM IFAIAHIRGG SELGRAWYEI GAKYLTKRNT FSDFIAAAEF DATA SEQUENCE LVNAKLTTPS QLACEGRSAG GLLMGAVLNM RPDLFKVALA GVPFVDVMTT DATA SEQUENCE MCDPSIPLTT GEWEEWGNPN EYKYYDYMLS YSPMDNVRAQ EYPNIMVQCG DATA SEQUENCE LHDPRVAYWE PAKWVSKLRE CKTDNNEILL NIDMESGHFS AKDRYKFWKE DATA SEQUENCE SAIQQAFVCK HLKSTVRLLV R 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.647 174.600 0.078 0.000 1.055 10 S CA 0.000 58.227 58.200 0.046 0.000 1.107 10 S CB 0.000 63.218 63.200 0.030 0.000 0.593 11 A N 3.116 125.991 122.820 0.092 0.000 2.546 11 A HA 0.501 4.822 4.320 0.001 0.000 0.243 11 A C -0.020 177.748 177.584 0.306 0.000 1.063 11 A CA 0.553 52.693 52.037 0.171 0.000 0.757 11 A CB 0.126 19.203 19.000 0.128 0.000 0.991 11 A HN 0.411 nan 8.150 nan 0.000 0.503 12 Q N 2.153 122.085 119.800 0.220 0.000 2.256 12 Q HA 0.470 4.811 4.340 0.001 0.000 0.257 12 Q C -2.426 173.452 176.000 -0.202 0.000 0.936 12 Q CA -2.058 53.788 55.803 0.073 0.000 0.903 12 Q CB 1.312 30.059 28.738 0.014 0.000 1.263 12 Q HN 0.544 nan 8.270 nan 0.000 0.440 13 P HA 0.228 nan 4.420 nan 0.000 0.274 13 P C -2.416 174.629 177.300 -0.425 0.000 1.231 13 P CA -1.283 61.143 63.100 -1.124 0.000 0.790 13 P CB -0.365 30.738 31.700 -0.997 0.000 0.951 14 P HA 0.162 nan 4.420 nan 0.000 0.271 14 P C -0.372 176.906 177.300 -0.038 0.000 1.218 14 P CA 0.180 63.214 63.100 -0.111 0.000 0.780 14 P CB 0.369 32.016 31.700 -0.088 0.000 0.901 15 I N 1.807 122.395 120.570 0.030 0.000 2.315 15 I HA 0.290 4.460 4.170 0.001 0.000 0.291 15 I C 0.823 177.032 176.117 0.153 0.000 1.006 15 I CA -1.247 60.090 61.300 0.063 0.000 1.265 15 I CB 0.371 38.401 38.000 0.050 0.000 1.387 15 I HN 0.358 nan 8.210 nan 0.000 0.475 16 A N 5.721 128.650 122.820 0.182 0.000 2.363 16 A HA 0.718 5.039 4.320 0.001 0.000 0.270 16 A C 0.505 178.306 177.584 0.362 0.000 1.121 16 A CA -0.423 51.759 52.037 0.242 0.000 0.800 16 A CB 0.445 19.417 19.000 -0.047 0.000 1.052 16 A HN 0.840 nan 8.150 nan 0.000 0.493 17 A N 2.707 125.748 122.820 0.369 0.000 2.366 17 A HA 0.514 4.834 4.320 0.001 0.000 0.249 17 A C 0.351 178.205 177.584 0.450 0.000 1.084 17 A CA -0.046 52.118 52.037 0.212 0.000 0.794 17 A CB 0.208 19.128 19.000 -0.132 0.000 1.034 17 A HN 0.780 nan 8.150 nan 0.000 0.491 18 K N 0.651 121.170 120.400 0.198 0.000 2.270 18 K HA 0.494 4.814 4.320 0.001 0.000 0.255 18 K C -0.811 175.817 176.600 0.046 0.000 0.936 18 K CA -0.544 55.834 56.287 0.152 0.000 0.809 18 K CB 2.112 34.599 32.500 -0.021 0.000 1.131 18 K HN 0.663 nan 8.250 nan 0.000 0.427 19 K N 3.353 123.835 120.400 0.136 0.000 2.443 19 K HA 0.368 4.689 4.320 0.001 0.000 0.252 19 K C -2.666 174.005 176.600 0.118 0.000 0.933 19 K CA -2.108 54.219 56.287 0.066 0.000 0.792 19 K CB 1.612 34.133 32.500 0.035 0.000 1.185 19 K HN 0.239 nan 8.250 nan 0.000 0.425 20 P HA 0.008 nan 4.420 nan 0.000 0.265 20 P C -1.355 176.004 177.300 0.099 0.000 1.193 20 P CA 0.281 63.407 63.100 0.044 0.000 0.765 20 P CB 0.395 32.089 31.700 -0.011 0.000 0.823 21 H N 0.751 119.799 119.070 -0.036 0.000 3.128 21 H HA 0.434 4.991 4.556 0.001 0.000 0.336 21 H C -0.849 174.399 175.328 -0.133 0.000 1.026 21 H CA -0.722 55.262 56.048 -0.106 0.000 1.376 21 H CB 1.303 31.005 29.762 -0.100 0.000 1.882 21 H HN 0.243 nan 8.280 nan 0.000 0.479 22 R N 4.637 124.803 120.500 -0.557 0.000 2.294 22 R HA 0.561 4.902 4.340 0.001 0.000 0.319 22 R C -1.330 174.799 176.300 -0.285 0.000 0.984 22 R CA -0.704 55.227 56.100 -0.282 0.000 0.861 22 R CB 0.933 31.050 30.300 -0.305 0.000 1.104 22 R HN 0.361 nan 8.270 nan 0.000 0.451 23 V N 3.819 123.736 119.914 0.004 0.000 2.481 23 V HA 0.294 4.414 4.120 0.001 0.000 0.286 23 V C -0.000 176.194 176.094 0.167 0.000 1.042 23 V CA -0.482 61.867 62.300 0.082 0.000 0.928 23 V CB 1.824 33.755 31.823 0.179 0.000 0.986 23 V HN 0.827 nan 8.190 nan 0.000 0.462 24 T N 6.481 121.122 114.554 0.144 0.000 2.795 24 T HA 0.671 5.022 4.350 0.001 0.000 0.282 24 T C -0.533 174.199 174.700 0.053 0.000 0.980 24 T CA -0.211 61.964 62.100 0.125 0.000 1.012 24 T CB 0.776 69.722 68.868 0.130 0.000 0.936 24 T HN 0.309 nan 8.240 nan 0.000 0.457 25 L N 3.464 124.673 121.223 -0.025 0.000 2.342 25 L HA 0.765 5.106 4.340 0.001 0.000 0.276 25 L C 0.743 177.541 176.870 -0.119 0.000 0.997 25 L CA 0.074 54.927 54.840 0.022 0.000 0.838 25 L CB 1.249 43.424 42.059 0.193 0.000 1.224 25 L HN 0.987 nan 8.230 nan 0.000 0.416 26 G N 1.496 110.237 108.800 -0.098 0.000 2.250 26 G HA2 -0.108 3.853 3.960 0.001 0.000 0.252 26 G HA3 -0.108 3.853 3.960 0.001 0.000 0.252 26 G C -1.576 173.300 174.900 -0.040 0.000 1.325 26 G CA -0.850 44.166 45.100 -0.140 0.000 1.091 26 G HN 0.342 nan 8.290 nan 0.000 0.476 27 Y N 0.833 121.056 120.300 -0.129 0.000 2.544 27 Y HA 0.494 5.044 4.550 0.001 0.000 0.330 27 Y C 0.145 176.030 175.900 -0.025 0.000 1.136 27 Y CA -0.002 58.057 58.100 -0.068 0.000 1.417 27 Y CB 0.757 39.179 38.460 -0.062 0.000 1.229 27 Y HN 0.507 nan 8.280 nan 0.000 0.532 28 V N 7.567 127.097 119.914 -0.640 0.000 2.447 28 V HA 0.132 4.253 4.120 0.001 0.000 0.292 28 V C -0.303 175.353 176.094 -0.730 0.000 1.021 28 V CA -1.294 60.664 62.300 -0.569 0.000 0.850 28 V CB 1.369 33.080 31.823 -0.188 0.000 1.005 28 V HN 0.797 nan 8.190 nan 0.000 0.426 29 E N 3.320 123.034 120.200 -0.810 0.000 2.558 29 E HA 0.285 4.635 4.350 0.001 0.000 0.255 29 E C 1.289 177.796 176.600 -0.154 0.000 0.968 29 E CA 1.297 57.465 56.400 -0.387 0.000 0.939 29 E CB 0.378 30.003 29.700 -0.124 0.000 0.921 29 E HN 1.099 nan 8.360 nan 0.000 0.477 30 G N 3.715 112.482 108.800 -0.056 0.000 2.195 30 G HA2 -0.254 3.707 3.960 0.001 0.000 0.246 30 G HA3 -0.254 3.707 3.960 0.001 0.000 0.246 30 G C -0.063 174.843 174.900 0.009 0.000 0.984 30 G CA 0.284 45.381 45.100 -0.006 0.000 0.633 30 G HN 0.581 nan 8.290 nan 0.000 0.525 31 E N 0.149 120.345 120.200 -0.007 0.000 2.244 31 E HA 0.445 4.795 4.350 0.001 0.000 0.266 31 E C -1.502 175.151 176.600 0.088 0.000 0.914 31 E CA -0.922 55.505 56.400 0.046 0.000 0.794 31 E CB 1.669 31.396 29.700 0.044 0.000 1.210 31 E HN 0.060 nan 8.360 nan 0.000 0.414 32 D N 1.726 122.213 120.400 0.146 0.000 2.441 32 D HA 0.080 4.721 4.640 0.001 0.000 0.221 32 D C -0.045 176.445 176.300 0.316 0.000 1.156 32 D CA -0.227 53.894 54.000 0.203 0.000 0.896 32 D CB 0.389 41.313 40.800 0.207 0.000 1.028 32 D HN 0.177 nan 8.370 nan 0.000 0.509 33 R N 2.373 123.000 120.500 0.211 0.000 2.426 33 R HA 0.365 4.706 4.340 0.001 0.000 0.263 33 R C 0.999 177.188 176.300 -0.185 0.000 0.961 33 R CA 0.012 56.181 56.100 0.116 0.000 1.086 33 R CB -0.062 30.260 30.300 0.037 0.000 1.186 33 R HN 0.662 nan 8.270 nan 0.000 0.537 34 G N 1.772 110.585 108.800 0.022 0.000 2.710 34 G HA2 -0.195 3.766 3.960 0.001 0.000 0.668 34 G HA3 -0.195 3.766 3.960 0.001 0.000 0.668 34 G C -2.089 172.820 174.900 0.016 0.000 1.320 34 G CA -0.567 44.521 45.100 -0.020 0.000 0.860 34 G HN 0.027 nan 8.290 nan 0.000 0.538 35 P HA 0.150 nan 4.420 nan 0.000 0.245 35 P C 0.530 177.835 177.300 0.009 0.000 1.206 35 P CA 1.000 64.124 63.100 0.040 0.000 0.781 35 P CB 0.263 31.996 31.700 0.055 0.000 0.994 36 N N 0.120 118.804 118.700 -0.026 0.000 2.666 36 N HA 0.175 4.916 4.740 0.001 0.000 0.253 36 N C -2.939 172.515 175.510 -0.094 0.000 1.621 36 N CA -1.571 51.456 53.050 -0.038 0.000 0.785 36 N CB 0.632 39.109 38.487 -0.017 0.000 1.332 36 N HN -0.043 nan 8.380 nan 0.000 0.514 37 P HA 0.256 nan 4.420 nan 0.000 0.284 37 P C 0.071 177.246 177.300 -0.207 0.000 1.253 37 P CA -0.341 62.678 63.100 -0.134 0.000 0.800 37 P CB 0.993 32.683 31.700 -0.017 0.000 0.961 38 M N 2.663 122.009 119.600 -0.422 0.000 2.260 38 M HA 0.013 4.494 4.480 0.001 0.000 0.348 38 M C 0.514 176.677 176.300 -0.228 0.000 1.342 38 M CA 1.087 56.006 55.300 -0.635 0.000 1.040 38 M CB -0.519 31.550 32.600 -0.886 0.000 1.810 38 M HN 0.329 nan 8.290 nan 0.000 0.453 39 N N 4.625 123.271 118.700 -0.090 0.000 2.500 39 N HA 0.487 5.227 4.740 0.001 0.000 0.291 39 N C -2.604 172.925 175.510 0.032 0.000 1.092 39 N CA -1.286 51.751 53.050 -0.021 0.000 0.890 39 N CB 1.577 40.006 38.487 -0.097 0.000 1.466 39 N HN 0.354 nan 8.380 nan 0.000 0.507 40 P HA 0.389 nan 4.420 nan 0.000 0.272 40 P C -2.725 174.521 177.300 -0.089 0.000 1.223 40 P CA -0.838 62.264 63.100 0.003 0.000 0.784 40 P CB 0.175 31.886 31.700 0.018 0.000 0.923 41 P HA 0.285 nan 4.420 nan 0.000 0.276 41 P C -0.358 176.585 177.300 -0.595 0.000 1.261 41 P CA -0.400 62.491 63.100 -0.349 0.000 0.800 41 P CB 1.177 32.673 31.700 -0.340 0.000 1.066 42 R N -0.040 120.113 120.500 -0.579 0.000 2.536 42 R HA 0.548 4.889 4.340 0.001 0.000 0.279 42 R C -0.602 175.338 176.300 -0.600 0.000 1.001 42 R CA -0.397 55.378 56.100 -0.543 0.000 1.027 42 R CB 0.668 30.686 30.300 -0.471 0.000 1.096 42 R HN 0.467 nan 8.270 nan 0.000 0.502 43 Y N 0.184 120.489 120.300 0.008 0.000 2.485 43 Y HA 0.510 5.060 4.550 0.001 0.000 0.345 43 Y C 0.076 176.010 175.900 0.058 0.000 0.998 43 Y CA -0.926 57.187 58.100 0.021 0.000 1.059 43 Y CB 1.894 40.346 38.460 -0.013 0.000 1.234 43 Y HN 0.254 nan 8.280 nan 0.000 0.461 44 R N 0.856 121.497 120.500 0.234 0.000 2.686 44 R HA 0.386 4.727 4.340 0.001 0.000 0.283 44 R C -1.314 175.059 176.300 0.121 0.000 0.978 44 R CA -1.231 54.967 56.100 0.164 0.000 0.897 44 R CB 2.501 32.894 30.300 0.155 0.000 1.192 44 R HN 0.567 nan 8.270 nan 0.000 0.457 45 E N 1.441 121.692 120.200 0.086 0.000 2.283 45 E HA 0.083 4.433 4.350 0.001 0.000 0.278 45 E C -1.163 175.487 176.600 0.084 0.000 1.027 45 E CA -0.135 56.301 56.400 0.060 0.000 0.843 45 E CB 0.968 30.685 29.700 0.027 0.000 1.062 45 E HN 0.397 nan 8.360 nan 0.000 0.401 46 D N 5.693 126.167 120.400 0.123 0.000 2.363 46 D HA 0.223 4.864 4.640 0.001 0.000 0.258 46 D C -2.127 174.255 176.300 0.138 0.000 1.259 46 D CA -1.893 52.200 54.000 0.155 0.000 0.921 46 D CB 1.306 42.271 40.800 0.275 0.000 1.201 46 D HN 0.297 nan 8.370 nan 0.000 0.524 47 P HA -0.065 nan 4.420 nan 0.000 0.237 47 P C 0.359 177.660 177.300 0.002 0.000 1.178 47 P CA 0.403 63.461 63.100 -0.070 0.000 0.766 47 P CB 0.115 31.670 31.700 -0.242 0.000 0.876 48 Y N -2.565 117.800 120.300 0.108 0.000 2.524 48 Y HA 0.234 4.785 4.550 0.001 0.000 0.266 48 Y C 1.908 177.608 175.900 -0.332 0.000 1.180 48 Y CA -1.169 56.842 58.100 -0.148 0.000 1.244 48 Y CB -1.217 37.113 38.460 -0.217 0.000 1.125 48 Y HN -0.170 nan 8.280 nan 0.000 0.524 49 F N 1.066 120.949 119.950 -0.111 0.000 2.192 49 F HA -0.290 4.238 4.527 0.001 0.000 0.301 49 F C 2.212 177.811 175.800 -0.335 0.000 1.079 49 F CA 1.767 59.584 58.000 -0.304 0.000 1.303 49 F CB -0.183 38.491 39.000 -0.544 0.000 1.024 49 F HN 0.366 nan 8.300 nan 0.000 0.494 50 W N -0.483 120.809 121.300 -0.014 0.000 2.468 50 W HA -0.177 4.484 4.660 0.001 0.000 0.262 50 W C 1.584 178.020 176.519 -0.138 0.000 1.241 50 W CA 0.739 58.055 57.345 -0.048 0.000 1.232 50 W CB -1.558 27.917 29.460 0.025 0.000 1.124 50 W HN 0.148 nan 8.180 nan 0.000 0.597 51 M N 0.852 119.894 119.600 -0.929 0.000 2.358 51 M HA -0.072 4.409 4.480 0.001 0.000 0.264 51 M C 1.388 177.465 176.300 -0.371 0.000 1.064 51 M CA 1.206 56.004 55.300 -0.836 0.000 1.093 51 M CB -0.444 31.655 32.600 -0.835 0.000 1.401 51 M HN -0.174 nan 8.290 nan 0.000 0.440 52 R N 1.898 121.955 120.500 -0.739 0.000 2.347 52 R HA 0.041 4.382 4.340 0.001 0.000 0.304 52 R C -1.146 174.851 176.300 -0.505 0.000 1.072 52 R CA 0.220 55.632 56.100 -1.146 0.000 0.980 52 R CB 0.429 29.442 30.300 -2.144 0.000 0.986 52 R HN -0.101 nan 8.270 nan 0.000 0.448 53 D N 2.892 123.211 120.400 -0.136 0.000 2.686 53 D HA 0.136 4.776 4.640 0.001 0.000 0.249 53 D C -0.384 175.986 176.300 0.116 0.000 1.260 53 D CA -0.590 53.413 54.000 0.004 0.000 0.910 53 D CB 1.664 42.537 40.800 0.123 0.000 1.323 53 D HN 0.472 nan 8.370 nan 0.000 0.561 54 D N 1.870 122.293 120.400 0.037 0.000 2.219 54 D HA -0.082 4.559 4.640 0.001 0.000 0.205 54 D C 0.601 177.001 176.300 0.166 0.000 0.970 54 D CA 0.731 54.819 54.000 0.147 0.000 0.851 54 D CB 0.363 41.213 40.800 0.084 0.000 0.943 54 D HN 0.484 nan 8.370 nan 0.000 0.488 55 D N 0.087 120.557 120.400 0.118 0.000 2.349 55 D HA 0.011 4.652 4.640 0.001 0.000 0.224 55 D C 0.444 176.807 176.300 0.106 0.000 1.029 55 D CA 0.067 54.128 54.000 0.102 0.000 0.879 55 D CB 0.221 41.063 40.800 0.070 0.000 0.906 55 D HN -0.049 nan 8.370 nan 0.000 0.528 56 R N -0.195 120.380 120.500 0.126 0.000 3.516 56 R HA -0.214 4.127 4.340 0.001 0.000 0.271 56 R C 0.981 177.281 176.300 -0.000 0.000 1.098 56 R CA 1.090 57.211 56.100 0.034 0.000 0.732 56 R CB -1.987 28.312 30.300 -0.002 0.000 1.152 56 R HN 0.423 nan 8.270 nan 0.000 0.455 57 K N -2.105 118.313 120.400 0.031 0.000 2.521 57 K HA 0.104 4.424 4.320 0.001 0.000 0.213 57 K C -0.130 176.490 176.600 0.034 0.000 1.223 57 K CA -0.074 56.226 56.287 0.022 0.000 1.013 57 K CB 0.559 33.078 32.500 0.032 0.000 1.017 57 K HN 0.127 nan 8.250 nan 0.000 0.591 58 D N 3.117 123.551 120.400 0.056 0.000 2.531 58 D HA 0.002 4.643 4.640 0.001 0.000 0.239 58 D C -1.529 174.816 176.300 0.075 0.000 1.144 58 D CA -1.039 53.006 54.000 0.075 0.000 0.869 58 D CB 1.291 42.159 40.800 0.114 0.000 1.160 58 D HN -0.071 nan 8.370 nan 0.000 0.484 59 P HA -0.152 nan 4.420 nan 0.000 0.215 59 P C 0.838 178.188 177.300 0.084 0.000 1.153 59 P CA 1.625 64.757 63.100 0.055 0.000 0.853 59 P CB 0.052 31.773 31.700 0.036 0.000 0.788 60 A N -0.800 122.081 122.820 0.102 0.000 1.930 60 A HA -0.130 4.191 4.320 0.001 0.000 0.217 60 A C 2.332 180.107 177.584 0.319 0.000 1.175 60 A CA 1.605 53.724 52.037 0.137 0.000 0.627 60 A CB -1.629 17.384 19.000 0.022 0.000 0.815 60 A HN 0.020 nan 8.150 nan 0.000 0.443 61 V N 0.520 120.639 119.914 0.342 0.000 2.307 61 V HA -0.213 3.907 4.120 0.001 0.000 0.245 61 V C 2.426 178.643 176.094 0.204 0.000 1.045 61 V CA 1.685 64.199 62.300 0.357 0.000 1.024 61 V CB -0.577 31.394 31.823 0.246 0.000 0.651 61 V HN 0.503 nan 8.190 nan 0.000 0.449 62 I N 0.215 120.845 120.570 0.101 0.000 2.286 62 I HA -0.226 3.944 4.170 0.001 0.000 0.248 62 I C 2.520 178.668 176.117 0.051 0.000 1.115 62 I CA 1.787 63.097 61.300 0.017 0.000 1.392 62 I CB -1.162 36.832 38.000 -0.010 0.000 1.065 62 I HN 0.539 nan 8.210 nan 0.000 0.418 63 E N 0.519 120.778 120.200 0.098 0.000 2.051 63 E HA -0.321 4.030 4.350 0.001 0.000 0.192 63 E C 2.336 179.002 176.600 0.110 0.000 0.991 63 E CA 1.655 58.109 56.400 0.090 0.000 0.799 63 E CB -0.232 29.526 29.700 0.097 0.000 0.748 63 E HN 0.555 nan 8.360 nan 0.000 0.449 64 H N 0.324 119.469 119.070 0.124 0.000 2.352 64 H HA -0.094 4.462 4.556 0.001 0.000 0.299 64 H C 2.047 177.411 175.328 0.060 0.000 1.097 64 H CA 2.062 58.191 56.048 0.135 0.000 1.311 64 H CB -0.205 29.711 29.762 0.256 0.000 1.377 64 H HN 0.174 nan 8.280 nan 0.000 0.504 65 L N -0.085 121.119 121.223 -0.031 0.000 2.046 65 L HA -0.187 4.154 4.340 0.001 0.000 0.208 65 L C 2.265 179.062 176.870 -0.121 0.000 1.077 65 L CA 1.188 55.962 54.840 -0.110 0.000 0.747 65 L CB -0.473 41.535 42.059 -0.085 0.000 0.896 65 L HN 0.377 nan 8.230 nan 0.000 0.432 66 N N 0.399 119.056 118.700 -0.070 0.000 2.166 66 N HA -0.169 4.572 4.740 0.001 0.000 0.186 66 N C 1.773 177.259 175.510 -0.039 0.000 1.019 66 N CA 1.238 54.262 53.050 -0.043 0.000 0.856 66 N CB -0.104 38.373 38.487 -0.016 0.000 0.993 66 N HN 0.348 nan 8.380 nan 0.000 0.426 67 K N 0.839 121.198 120.400 -0.068 0.000 2.097 67 K HA -0.049 4.272 4.320 0.001 0.000 0.205 67 K C 1.707 178.276 176.600 -0.051 0.000 1.050 67 K CA 0.726 56.981 56.287 -0.053 0.000 0.938 67 K CB 0.063 32.523 32.500 -0.066 0.000 0.718 67 K HN 0.181 nan 8.250 nan 0.000 0.442 68 E N 1.257 121.361 120.200 -0.161 0.000 2.058 68 E HA -0.207 4.143 4.350 0.001 0.000 0.194 68 E C 1.869 178.513 176.600 0.072 0.000 0.997 68 E CA 1.395 57.755 56.400 -0.067 0.000 0.801 68 E CB -0.046 29.561 29.700 -0.155 0.000 0.746 68 E HN 0.305 nan 8.360 nan 0.000 0.450 69 K N 0.446 120.854 120.400 0.013 0.000 2.063 69 K HA -0.109 4.212 4.320 0.001 0.000 0.208 69 K C 2.308 178.997 176.600 0.149 0.000 1.048 69 K CA 1.228 57.554 56.287 0.065 0.000 0.928 69 K CB -0.213 32.288 32.500 0.002 0.000 0.713 69 K HN -0.049 nan 8.250 nan 0.000 0.442 70 V N 0.687 120.661 119.914 0.100 0.000 2.295 70 V HA -0.278 3.842 4.120 0.001 0.000 0.246 70 V C 2.086 178.255 176.094 0.124 0.000 1.049 70 V CA 1.776 64.134 62.300 0.097 0.000 1.024 70 V CB -0.570 31.296 31.823 0.071 0.000 0.648 70 V HN 0.280 nan 8.190 nan 0.000 0.447 71 Y N 0.385 120.704 120.300 0.031 0.000 2.145 71 Y HA -0.294 4.257 4.550 0.001 0.000 0.286 71 Y C 2.277 178.206 175.900 0.047 0.000 1.145 71 Y CA 1.782 59.898 58.100 0.026 0.000 1.148 71 Y CB -0.649 37.818 38.460 0.012 0.000 0.981 71 Y HN 0.283 nan 8.280 nan 0.000 0.507 72 F N 1.089 120.975 119.950 -0.108 0.000 2.095 72 F HA -0.280 4.248 4.527 0.001 0.000 0.298 72 F C 2.241 177.940 175.800 -0.169 0.000 1.104 72 F CA 2.342 60.230 58.000 -0.187 0.000 1.232 72 F CB -0.594 38.349 39.000 -0.096 0.000 0.987 72 F HN 0.147 nan 8.300 nan 0.000 0.475 73 Q N 0.116 119.849 119.800 -0.111 0.000 2.119 73 Q HA -0.118 4.222 4.340 0.001 0.000 0.201 73 Q C 2.480 178.342 176.000 -0.230 0.000 0.972 73 Q CA 1.406 57.093 55.803 -0.193 0.000 0.847 73 Q CB -0.456 28.280 28.738 -0.002 0.000 0.903 73 Q HN 0.566 nan 8.270 nan 0.000 0.433 74 A N 0.989 123.697 122.820 -0.187 0.000 1.898 74 A HA -0.134 4.187 4.320 0.001 0.000 0.216 74 A C 1.935 179.376 177.584 -0.239 0.000 1.181 74 A CA 1.035 52.973 52.037 -0.164 0.000 0.620 74 A CB -0.185 18.762 19.000 -0.087 0.000 0.819 74 A HN 0.096 nan 8.150 nan 0.000 0.442 75 R N 0.511 120.774 120.500 -0.394 0.000 2.276 75 R HA -0.013 4.327 4.340 0.001 0.000 0.203 75 R C 1.622 177.766 176.300 -0.260 0.000 1.017 75 R CA 1.258 57.150 56.100 -0.347 0.000 1.010 75 R CB -0.592 29.399 30.300 -0.515 0.000 0.900 75 R HN 0.687 nan 8.270 nan 0.000 0.469 76 S N -1.401 114.089 115.700 -0.350 0.000 2.554 76 S HA 0.266 4.737 4.470 0.001 0.000 0.226 76 S C 1.679 176.155 174.600 -0.208 0.000 0.980 76 S CA 0.172 58.193 58.200 -0.299 0.000 0.939 76 S CB 0.749 63.617 63.200 -0.553 0.000 0.832 76 S HN 0.167 nan 8.310 nan 0.000 0.486 77 A N 3.234 125.948 122.820 -0.177 0.000 1.972 77 A HA -0.136 4.185 4.320 0.001 0.000 0.219 77 A C 1.923 179.457 177.584 -0.082 0.000 1.169 77 A CA 1.663 53.632 52.037 -0.114 0.000 0.635 77 A CB -0.679 18.266 19.000 -0.092 0.000 0.810 77 A HN 0.722 nan 8.150 nan 0.000 0.446 78 D N 0.287 120.638 120.400 -0.082 0.000 2.355 78 D HA -0.048 4.593 4.640 0.001 0.000 0.218 78 D C 1.116 177.381 176.300 -0.058 0.000 1.004 78 D CA 0.865 54.828 54.000 -0.062 0.000 0.880 78 D CB -0.526 40.238 40.800 -0.061 0.000 0.911 78 D HN 0.682 nan 8.370 nan 0.000 0.528 79 I N -4.339 116.195 120.570 -0.059 0.000 3.927 79 I HA 0.542 4.713 4.170 0.001 0.000 0.332 79 I C 1.703 177.807 176.117 -0.022 0.000 1.485 79 I CA -0.573 60.706 61.300 -0.035 0.000 1.131 79 I CB 0.411 38.401 38.000 -0.016 0.000 1.092 79 I HN -0.105 nan 8.210 nan 0.000 0.410 80 A N 1.552 124.351 122.820 -0.035 0.000 1.908 80 A HA -0.268 4.053 4.320 0.001 0.000 0.218 80 A C 2.349 179.929 177.584 -0.007 0.000 1.181 80 A CA 2.357 54.379 52.037 -0.026 0.000 0.627 80 A CB -0.480 18.499 19.000 -0.034 0.000 0.818 80 A HN 0.549 nan 8.150 nan 0.000 0.445 81 Q N -0.712 119.084 119.800 -0.007 0.000 2.079 81 Q HA -0.105 4.235 4.340 0.001 0.000 0.200 81 Q C 1.869 177.877 176.000 0.013 0.000 0.974 81 Q CA 1.738 57.543 55.803 0.003 0.000 0.840 81 Q CB -0.486 28.251 28.738 -0.002 0.000 0.898 81 Q HN 0.519 nan 8.270 nan 0.000 0.430 82 L N 0.494 121.724 121.223 0.011 0.000 2.056 82 L HA -0.090 4.251 4.340 0.001 0.000 0.207 82 L C 2.349 179.241 176.870 0.037 0.000 1.078 82 L CA 1.837 56.690 54.840 0.021 0.000 0.749 82 L CB -0.740 41.331 42.059 0.019 0.000 0.901 82 L HN 0.214 nan 8.230 nan 0.000 0.433 83 R N 0.074 120.601 120.500 0.044 0.000 2.083 83 R HA -0.194 4.147 4.340 0.001 0.000 0.237 83 R C 1.822 178.177 176.300 0.091 0.000 1.137 83 R CA 2.156 58.298 56.100 0.070 0.000 0.951 83 R CB -0.870 29.465 30.300 0.058 0.000 0.851 83 R HN 0.438 nan 8.270 nan 0.000 0.434 84 D N 0.879 121.320 120.400 0.068 0.000 2.123 84 D HA -0.154 4.487 4.640 0.001 0.000 0.196 84 D C 1.563 177.932 176.300 0.115 0.000 0.992 84 D CA 1.375 55.435 54.000 0.101 0.000 0.833 84 D CB -0.386 40.447 40.800 0.056 0.000 0.954 84 D HN 0.303 nan 8.370 nan 0.000 0.455 85 D N 0.116 120.549 120.400 0.055 0.000 2.097 85 D HA -0.080 4.561 4.640 0.001 0.000 0.195 85 D C 2.302 178.590 176.300 -0.021 0.000 0.989 85 D CA 0.486 54.496 54.000 0.018 0.000 0.827 85 D CB -0.269 40.534 40.800 0.005 0.000 0.966 85 D HN 0.279 nan 8.370 nan 0.000 0.456 86 I N -0.037 120.517 120.570 -0.027 0.000 2.353 86 I HA -0.254 3.916 4.170 0.001 0.000 0.248 86 I C 2.304 178.294 176.117 -0.211 0.000 1.119 86 I CA 0.629 61.834 61.300 -0.157 0.000 1.417 86 I CB -0.177 37.742 38.000 -0.135 0.000 1.078 86 I HN -0.023 nan 8.210 nan 0.000 0.421 87 Y N 1.939 122.188 120.300 -0.086 0.000 2.181 87 Y HA -0.268 4.283 4.550 0.001 0.000 0.288 87 Y C 2.507 178.413 175.900 0.010 0.000 1.146 87 Y CA 1.299 59.432 58.100 0.054 0.000 1.164 87 Y CB -0.458 38.072 38.460 0.118 0.000 0.982 87 Y HN 0.107 nan 8.280 nan 0.000 0.515 88 A N 0.403 123.189 122.820 -0.058 0.000 1.908 88 A HA -0.253 4.068 4.320 0.001 0.000 0.218 88 A C 2.067 179.479 177.584 -0.287 0.000 1.181 88 A CA 2.092 54.023 52.037 -0.176 0.000 0.627 88 A CB -0.786 18.185 19.000 -0.048 0.000 0.818 88 A HN 0.672 nan 8.150 nan 0.000 0.445 89 E N -1.196 118.823 120.200 -0.300 0.000 2.077 89 E HA -0.200 4.151 4.350 0.001 0.000 0.193 89 E C 2.027 178.284 176.600 -0.572 0.000 0.989 89 E CA 1.251 57.376 56.400 -0.458 0.000 0.800 89 E CB -0.287 29.209 29.700 -0.339 0.000 0.746 89 E HN 0.695 nan 8.360 nan 0.000 0.452 90 H N 0.233 119.065 119.070 -0.395 0.000 2.353 90 H HA -0.088 4.469 4.556 0.001 0.000 0.300 90 H C 2.133 177.066 175.328 -0.659 0.000 1.090 90 H CA 0.867 56.598 56.048 -0.528 0.000 1.327 90 H CB -0.116 29.405 29.762 -0.401 0.000 1.383 90 H HN 0.132 nan 8.280 nan 0.000 0.508 91 I N 0.942 121.239 120.570 -0.455 0.000 2.264 91 I HA -0.216 3.955 4.170 0.001 0.000 0.248 91 I C 2.528 178.476 176.117 -0.281 0.000 1.111 91 I CA 1.454 62.526 61.300 -0.380 0.000 1.382 91 I CB -1.286 36.484 38.000 -0.384 0.000 1.060 91 I HN 0.231 nan 8.210 nan 0.000 0.418 92 S N -0.697 114.805 115.700 -0.331 0.000 2.481 92 S HA -0.128 4.342 4.470 0.001 0.000 0.231 92 S C 1.663 176.161 174.600 -0.170 0.000 0.996 92 S CA 0.657 58.707 58.200 -0.250 0.000 0.942 92 S CB -0.842 62.183 63.200 -0.290 0.000 0.768 92 S HN 0.602 nan 8.310 nan 0.000 0.520 93 H N 0.907 119.869 119.070 -0.181 0.000 2.539 93 H HA 0.451 5.007 4.556 0.001 0.000 0.269 93 H C 0.759 175.937 175.328 -0.250 0.000 0.980 93 H CA 0.031 55.961 56.048 -0.197 0.000 1.152 93 H CB 0.188 29.809 29.762 -0.234 0.000 1.407 93 H HN 0.603 nan 8.280 nan 0.000 0.564 94 I N -2.185 118.281 120.570 -0.173 0.000 3.023 94 I HA 0.399 4.570 4.170 0.001 0.000 0.312 94 I C -0.727 175.340 176.117 -0.083 0.000 1.056 94 I CA -1.292 59.912 61.300 -0.160 0.000 1.033 94 I CB 2.062 39.916 38.000 -0.244 0.000 1.233 94 I HN -0.150 nan 8.210 nan 0.000 0.462 95 N N 3.120 121.787 118.700 -0.055 0.000 2.444 95 N HA 0.170 4.911 4.740 0.001 0.000 0.262 95 N C 0.386 175.886 175.510 -0.017 0.000 0.974 95 N CA -0.492 52.539 53.050 -0.032 0.000 0.933 95 N CB 1.903 40.370 38.487 -0.033 0.000 1.137 95 N HN 0.648 nan 8.380 nan 0.000 0.498 96 E N 0.862 121.067 120.200 0.009 0.000 2.070 96 E HA -0.131 4.220 4.350 0.001 0.000 0.197 96 E C -0.381 176.235 176.600 0.026 0.000 1.004 96 E CA 1.483 57.912 56.400 0.049 0.000 0.805 96 E CB 0.168 29.904 29.700 0.060 0.000 0.744 96 E HN 0.563 nan 8.360 nan 0.000 0.451 97 D N 0.938 121.340 120.400 0.004 0.000 2.344 97 D HA 0.313 4.954 4.640 0.001 0.000 0.239 97 D C -0.589 175.693 176.300 -0.031 0.000 1.064 97 D CA -0.187 53.807 54.000 -0.010 0.000 0.829 97 D CB 1.627 42.421 40.800 -0.009 0.000 1.129 97 D HN -0.106 nan 8.370 nan 0.000 0.506 98 D N 1.375 121.749 120.400 -0.043 0.000 2.599 98 D HA 0.487 5.127 4.640 0.001 0.000 0.252 98 D C -1.392 174.859 176.300 -0.081 0.000 1.232 98 D CA -0.506 53.454 54.000 -0.067 0.000 0.819 98 D CB 2.582 43.342 40.800 -0.067 0.000 1.401 98 D HN 0.240 nan 8.370 nan 0.000 0.429 99 M N 1.465 120.994 119.600 -0.119 0.000 2.378 99 M HA 0.373 4.854 4.480 0.001 0.000 0.289 99 M C -0.539 175.645 176.300 -0.193 0.000 1.136 99 M CA -0.388 54.835 55.300 -0.128 0.000 0.917 99 M CB 1.708 34.186 32.600 -0.203 0.000 1.669 99 M HN 0.440 nan 8.290 nan 0.000 0.461 100 S N 3.079 118.681 115.700 -0.163 0.000 2.626 100 S HA 0.675 5.146 4.470 0.001 0.000 0.257 100 S C 0.215 174.620 174.600 -0.325 0.000 1.288 100 S CA -0.361 57.664 58.200 -0.291 0.000 0.980 100 S CB 0.790 63.892 63.200 -0.164 0.000 0.975 100 S HN 0.883 nan 8.310 nan 0.000 0.577 101 A N 1.993 124.511 122.820 -0.504 0.000 2.376 101 A HA 0.558 4.879 4.320 0.001 0.000 0.298 101 A C -2.393 175.179 177.584 -0.020 0.000 1.271 101 A CA -1.528 50.293 52.037 -0.360 0.000 0.926 101 A CB -0.878 17.742 19.000 -0.633 0.000 1.141 101 A HN 0.637 nan 8.150 nan 0.000 0.539 102 P HA 0.390 nan 4.420 nan 0.000 0.272 102 P C -0.899 176.532 177.300 0.217 0.000 1.230 102 P CA 0.340 63.503 63.100 0.104 0.000 0.788 102 P CB 0.286 31.989 31.700 0.006 0.000 0.949 103 Y N -2.240 118.190 120.300 0.217 0.000 2.597 103 Y HA 0.655 5.206 4.550 0.001 0.000 0.340 103 Y C -1.131 174.955 175.900 0.309 0.000 1.097 103 Y CA -1.692 56.538 58.100 0.217 0.000 1.037 103 Y CB 0.411 38.986 38.460 0.192 0.000 1.305 103 Y HN -0.028 nan 8.280 nan 0.000 0.463 104 V N 2.925 123.081 119.914 0.403 0.000 2.546 104 V HA 0.241 4.361 4.120 0.001 0.000 0.284 104 V C -1.142 175.311 176.094 0.598 0.000 1.050 104 V CA -0.222 62.310 62.300 0.388 0.000 0.981 104 V CB 0.708 32.705 31.823 0.289 0.000 0.990 104 V HN 0.724 nan 8.190 nan 0.000 0.474 105 Y N 3.850 124.436 120.300 0.475 0.000 2.323 105 Y HA 0.588 5.139 4.550 0.001 0.000 0.322 105 Y C 0.376 176.598 175.900 0.536 0.000 1.133 105 Y CA -0.226 58.189 58.100 0.525 0.000 1.093 105 Y CB 1.267 40.058 38.460 0.552 0.000 1.203 105 Y HN 0.936 nan 8.280 nan 0.000 0.427 106 G N 5.849 114.859 108.800 0.349 0.000 2.591 106 G HA2 -0.362 3.599 3.960 0.001 0.000 0.298 106 G HA3 -0.362 3.599 3.960 0.001 0.000 0.298 106 G C 0.579 175.475 174.900 -0.007 0.000 1.195 106 G CA 0.688 45.804 45.100 0.026 0.000 0.989 106 G HN 0.697 nan 8.290 nan 0.000 0.551 107 K N 0.181 120.447 120.400 -0.224 0.000 2.404 107 K HA 0.324 4.645 4.320 0.001 0.000 0.194 107 K C -0.164 176.180 176.600 -0.426 0.000 1.023 107 K CA 0.279 56.362 56.287 -0.339 0.000 1.094 107 K CB 0.290 32.507 32.500 -0.473 0.000 0.841 107 K HN 0.408 nan 8.250 nan 0.000 0.523 108 Y N 0.249 120.570 120.300 0.035 0.000 2.562 108 Y HA 0.408 4.959 4.550 0.001 0.000 0.343 108 Y C -0.097 175.778 175.900 -0.043 0.000 1.025 108 Y CA -1.334 56.692 58.100 -0.123 0.000 1.082 108 Y CB 1.273 39.394 38.460 -0.565 0.000 1.264 108 Y HN -0.294 nan 8.280 nan 0.000 0.478 109 R N 1.081 121.620 120.500 0.065 0.000 2.294 109 R HA 0.435 4.775 4.340 0.001 0.000 0.319 109 R C -1.667 174.559 176.300 -0.124 0.000 0.984 109 R CA -0.594 55.536 56.100 0.050 0.000 0.861 109 R CB 0.766 31.125 30.300 0.097 0.000 1.104 109 R HN 0.569 nan 8.270 nan 0.000 0.451 110 Y N 2.673 122.815 120.300 -0.264 0.000 2.419 110 Y HA 0.422 4.973 4.550 0.001 0.000 0.328 110 Y C -0.122 175.547 175.900 -0.386 0.000 1.162 110 Y CA -0.152 57.678 58.100 -0.449 0.000 1.174 110 Y CB 1.278 39.413 38.460 -0.542 0.000 1.228 110 Y HN 0.524 nan 8.280 nan 0.000 0.473 111 Y N -2.233 118.023 120.300 -0.072 0.000 2.741 111 Y HA 0.598 5.149 4.550 0.001 0.000 0.339 111 Y C -1.067 174.784 175.900 -0.083 0.000 1.226 111 Y CA -1.692 56.367 58.100 -0.068 0.000 1.072 111 Y CB 0.395 38.785 38.460 -0.118 0.000 1.331 111 Y HN 0.516 nan 8.280 nan 0.000 0.453 112 T N -0.397 114.153 114.554 -0.007 0.000 2.945 112 T HA 0.825 5.175 4.350 0.001 0.000 0.286 112 T C -0.644 174.048 174.700 -0.013 0.000 1.025 112 T CA -1.080 60.895 62.100 -0.208 0.000 1.039 112 T CB 1.992 70.590 68.868 -0.451 0.000 1.068 112 T HN 0.786 nan 8.240 nan 0.000 0.497 113 R N 0.548 121.008 120.500 -0.067 0.000 2.803 113 R HA 0.542 4.882 4.340 0.001 0.000 0.276 113 R C -0.619 175.638 176.300 -0.073 0.000 0.978 113 R CA -0.870 55.217 56.100 -0.022 0.000 0.939 113 R CB 2.118 32.440 30.300 0.037 0.000 1.179 113 R HN 0.721 nan 8.270 nan 0.000 0.472 114 E N 0.943 121.109 120.200 -0.057 0.000 2.207 114 E HA 0.437 4.788 4.350 0.001 0.000 0.270 114 E C -1.049 175.543 176.600 -0.015 0.000 0.927 114 E CA -0.852 55.521 56.400 -0.046 0.000 0.799 114 E CB 2.578 32.240 29.700 -0.064 0.000 1.172 114 E HN 0.104 nan 8.360 nan 0.000 0.404 115 V N 2.482 122.403 119.914 0.010 0.000 2.680 115 V HA 0.218 4.339 4.120 0.001 0.000 0.309 115 V C -0.081 176.052 176.094 0.064 0.000 1.052 115 V CA -1.049 61.269 62.300 0.029 0.000 0.908 115 V CB 1.790 33.632 31.823 0.031 0.000 1.001 115 V HN 0.606 nan 8.190 nan 0.000 0.431 116 K N 2.458 122.894 120.400 0.060 0.000 2.491 116 K HA 0.229 4.550 4.320 0.001 0.000 0.279 116 K C 1.187 177.850 176.600 0.106 0.000 1.026 116 K CA 1.372 57.710 56.287 0.086 0.000 1.070 116 K CB -0.157 32.370 32.500 0.046 0.000 0.887 116 K HN 1.241 nan 8.250 nan 0.000 0.481 117 G N 3.292 112.197 108.800 0.175 0.000 2.199 117 G HA2 -0.280 3.681 3.960 0.001 0.000 0.254 117 G HA3 -0.280 3.681 3.960 0.001 0.000 0.254 117 G C -0.399 174.626 174.900 0.209 0.000 0.982 117 G CA 0.359 45.512 45.100 0.088 0.000 0.632 117 G HN 0.599 nan 8.290 nan 0.000 0.529 118 K N 0.851 121.414 120.400 0.270 0.000 2.185 118 K HA 0.433 4.754 4.320 0.001 0.000 0.269 118 K C -1.559 175.153 176.600 0.187 0.000 0.987 118 K CA -1.630 54.784 56.287 0.213 0.000 0.865 118 K CB 2.646 35.215 32.500 0.117 0.000 1.090 118 K HN 0.002 nan 8.250 nan 0.000 0.450 119 P HA -0.073 nan 4.420 nan 0.000 0.235 119 P C -0.544 176.425 177.300 -0.551 0.000 1.177 119 P CA 0.952 63.860 63.100 -0.320 0.000 0.785 119 P CB 0.347 31.793 31.700 -0.424 0.000 0.885 120 Y N -0.356 119.921 120.300 -0.039 0.000 2.630 120 Y HA 0.442 4.993 4.550 0.001 0.000 0.337 120 Y C 1.125 176.981 175.900 -0.073 0.000 1.051 120 Y CA -1.165 56.895 58.100 -0.068 0.000 1.121 120 Y CB 1.104 39.535 38.460 -0.049 0.000 1.299 120 Y HN -0.413 nan 8.280 nan 0.000 0.498 121 K N 1.229 121.690 120.400 0.102 0.000 2.126 121 K HA 0.552 4.873 4.320 0.001 0.000 0.257 121 K C -1.153 175.420 176.600 -0.045 0.000 1.007 121 K CA -0.280 55.968 56.287 -0.064 0.000 0.928 121 K CB 0.683 33.041 32.500 -0.237 0.000 1.013 121 K HN 0.447 nan 8.250 nan 0.000 0.473 122 I N 2.398 122.888 120.570 -0.133 0.000 2.418 122 I HA 0.207 4.378 4.170 0.001 0.000 0.287 122 I C -0.944 175.051 176.117 -0.203 0.000 1.008 122 I CA -0.875 60.379 61.300 -0.077 0.000 1.104 122 I CB 0.904 38.880 38.000 -0.040 0.000 1.264 122 I HN 0.427 nan 8.210 nan 0.000 0.438 123 Y N 4.748 124.980 120.300 -0.113 0.000 2.336 123 Y HA 0.415 4.965 4.550 0.001 0.000 0.335 123 Y C 0.384 176.154 175.900 -0.216 0.000 1.046 123 Y CA -0.174 57.846 58.100 -0.133 0.000 1.198 123 Y CB 1.113 39.517 38.460 -0.093 0.000 1.182 123 Y HN 0.552 nan 8.280 nan 0.000 0.502 124 C N 3.468 122.586 119.300 -0.303 0.000 3.044 124 C HA 0.854 5.314 4.460 0.001 0.000 0.315 124 C C -0.570 173.927 174.990 -0.822 0.000 1.320 124 C CA -1.211 57.473 59.018 -0.557 0.000 1.582 124 C CB 2.349 29.671 27.740 -0.698 0.000 2.039 124 C HN 0.981 nan 8.230 nan 0.000 0.466 125 R N -0.060 119.992 120.500 -0.747 0.000 2.734 125 R HA 0.885 5.226 4.340 0.001 0.000 0.271 125 R C -1.675 174.403 176.300 -0.371 0.000 1.021 125 R CA -0.612 55.032 56.100 -0.760 0.000 0.893 125 R CB 1.280 30.866 30.300 -1.190 0.000 1.244 125 R HN 0.757 nan 8.270 nan 0.000 0.464 126 V N -1.695 118.135 119.914 -0.138 0.000 3.040 126 V HA 0.640 4.761 4.120 0.001 0.000 0.312 126 V C -0.331 175.789 176.094 0.044 0.000 1.115 126 V CA -1.225 61.055 62.300 -0.033 0.000 0.998 126 V CB 1.435 33.309 31.823 0.085 0.000 1.042 126 V HN 0.624 nan 8.190 nan 0.000 0.433 127 F N 1.940 121.950 119.950 0.101 0.000 2.589 127 F HA 0.257 4.785 4.527 0.001 0.000 0.352 127 F C 2.278 178.045 175.800 -0.055 0.000 1.168 127 F CA 0.889 58.843 58.000 -0.078 0.000 1.353 127 F CB 0.652 39.580 39.000 -0.120 0.000 1.116 127 F HN 0.883 nan 8.300 nan 0.000 0.608 128 T N -2.581 112.051 114.554 0.130 0.000 3.007 128 T HA -0.170 4.181 4.350 0.001 0.000 0.270 128 T C 1.048 175.782 174.700 0.058 0.000 1.107 128 T CA 1.077 63.222 62.100 0.076 0.000 1.118 128 T CB -0.463 68.436 68.868 0.052 0.000 0.889 128 T HN 0.624 nan 8.240 nan 0.000 0.506 129 D N 0.414 120.848 120.400 0.056 0.000 2.328 129 D HA 0.075 4.715 4.640 0.001 0.000 0.226 129 D C 0.541 176.867 176.300 0.043 0.000 1.066 129 D CA 0.026 54.043 54.000 0.028 0.000 0.861 129 D CB 0.067 40.858 40.800 -0.016 0.000 0.912 129 D HN 0.228 nan 8.370 nan 0.000 0.521 130 K N 0.243 120.685 120.400 0.069 0.000 2.352 130 K HA 0.339 4.660 4.320 0.001 0.000 0.240 130 K C -0.089 176.530 176.600 0.031 0.000 1.017 130 K CA -0.700 55.622 56.287 0.057 0.000 0.851 130 K CB 1.480 34.035 32.500 0.092 0.000 1.261 130 K HN -0.081 nan 8.250 nan 0.000 0.451 131 E N 2.067 122.271 120.200 0.007 0.000 2.130 131 E HA 0.289 4.640 4.350 0.001 0.000 0.284 131 E C -2.358 174.201 176.600 -0.068 0.000 1.018 131 E CA -2.370 54.010 56.400 -0.033 0.000 0.817 131 E CB 0.448 30.122 29.700 -0.043 0.000 1.078 131 E HN 0.131 nan 8.360 nan 0.000 0.396 132 P HA -0.066 nan 4.420 nan 0.000 0.263 132 P C 0.864 177.913 177.300 -0.418 0.000 1.168 132 P CA 1.220 64.096 63.100 -0.374 0.000 0.759 132 P CB 0.456 31.782 31.700 -0.622 0.000 0.782 133 G N 2.144 110.734 108.800 -0.349 0.000 2.184 133 G HA2 -0.268 3.692 3.960 0.001 0.000 0.264 133 G HA3 -0.268 3.692 3.960 0.001 0.000 0.264 133 G C 0.217 175.089 174.900 -0.046 0.000 0.975 133 G CA 0.186 45.197 45.100 -0.148 0.000 0.642 133 G HN 0.684 nan 8.290 nan 0.000 0.536 134 D N 0.534 120.915 120.400 -0.030 0.000 2.363 134 D HA 0.344 4.984 4.640 0.001 0.000 0.263 134 D C 1.481 177.789 176.300 0.013 0.000 1.258 134 D CA 0.480 54.474 54.000 -0.009 0.000 0.907 134 D CB 1.129 41.926 40.800 -0.005 0.000 1.107 134 D HN 0.147 nan 8.370 nan 0.000 0.495 135 V N 4.554 124.471 119.914 0.006 0.000 2.469 135 V HA -0.251 3.869 4.120 0.001 0.000 0.251 135 V C 2.051 178.150 176.094 0.008 0.000 1.064 135 V CA 2.476 64.781 62.300 0.009 0.000 1.066 135 V CB -0.474 31.351 31.823 0.003 0.000 0.667 135 V HN 0.744 nan 8.190 nan 0.000 0.461 136 A N -1.227 121.598 122.820 0.009 0.000 2.119 136 A HA 0.281 4.602 4.320 0.001 0.000 0.216 136 A C 2.112 179.708 177.584 0.021 0.000 1.152 136 A CA 1.475 53.520 52.037 0.013 0.000 0.708 136 A CB -0.347 18.660 19.000 0.013 0.000 0.805 136 A HN 0.717 nan 8.150 nan 0.000 0.460 137 A N -0.814 122.021 122.820 0.024 0.000 2.229 137 A HA 0.263 4.584 4.320 0.001 0.000 0.211 137 A C 0.842 178.425 177.584 -0.001 0.000 1.193 137 A CA 0.202 52.260 52.037 0.034 0.000 0.879 137 A CB -0.113 18.920 19.000 0.055 0.000 0.911 137 A HN 0.512 nan 8.150 nan 0.000 0.492 138 E N 0.916 121.116 120.200 0.001 0.000 2.360 138 E HA 0.213 4.563 4.350 0.001 0.000 0.269 138 E C -0.562 175.988 176.600 -0.083 0.000 1.022 138 E CA -0.160 56.230 56.400 -0.017 0.000 0.887 138 E CB 0.380 30.105 29.700 0.042 0.000 0.990 138 E HN 0.398 nan 8.360 nan 0.000 0.426 139 E N 3.349 123.450 120.200 -0.165 0.000 2.176 139 E HA 0.254 4.605 4.350 0.001 0.000 0.267 139 E C -1.361 175.120 176.600 -0.198 0.000 0.893 139 E CA -0.867 55.420 56.400 -0.187 0.000 0.761 139 E CB 1.574 31.113 29.700 -0.269 0.000 1.133 139 E HN 0.296 nan 8.360 nan 0.000 0.409 140 V N 6.707 126.539 119.914 -0.136 0.000 2.488 140 V HA 0.076 4.196 4.120 0.001 0.000 0.277 140 V C 1.092 177.116 176.094 -0.117 0.000 1.046 140 V CA 0.339 62.568 62.300 -0.118 0.000 0.986 140 V CB 0.879 32.657 31.823 -0.076 0.000 0.989 140 V HN 0.794 nan 8.190 nan 0.000 0.475 141 I N 4.641 125.151 120.570 -0.100 0.000 2.499 141 I HA 0.182 4.353 4.170 0.001 0.000 0.243 141 I C 0.161 176.214 176.117 -0.106 0.000 1.085 141 I CA 0.919 62.170 61.300 -0.083 0.000 1.422 141 I CB 0.349 38.336 38.000 -0.022 0.000 1.165 141 I HN 0.356 nan 8.210 nan 0.000 0.440 142 I N 1.266 121.784 120.570 -0.088 0.000 2.534 142 I HA 0.186 4.357 4.170 0.001 0.000 0.286 142 I C -1.254 174.821 176.117 -0.071 0.000 1.094 142 I CA -0.446 60.729 61.300 -0.208 0.000 1.055 142 I CB 1.560 39.302 38.000 -0.431 0.000 1.225 142 I HN 0.031 nan 8.210 nan 0.000 0.435 143 D N 6.445 126.779 120.400 -0.109 0.000 2.411 143 D HA 0.198 4.839 4.640 0.001 0.000 0.225 143 D C 1.057 177.311 176.300 -0.077 0.000 1.156 143 D CA -0.226 53.744 54.000 -0.050 0.000 0.874 143 D CB 1.461 42.236 40.800 -0.043 0.000 1.034 143 D HN 0.270 nan 8.370 nan 0.000 0.502 144 V N 4.241 124.139 119.914 -0.027 0.000 2.594 144 V HA -0.222 3.899 4.120 0.001 0.000 0.253 144 V C 2.115 178.136 176.094 -0.122 0.000 1.069 144 V CA 1.164 63.401 62.300 -0.105 0.000 1.082 144 V CB -0.498 31.301 31.823 -0.040 0.000 0.680 144 V HN 0.606 nan 8.190 nan 0.000 0.469 145 N N 0.289 119.014 118.700 0.043 0.000 2.166 145 N HA -0.205 4.536 4.740 0.001 0.000 0.186 145 N C 1.907 177.432 175.510 0.025 0.000 1.019 145 N CA 1.422 54.545 53.050 0.121 0.000 0.856 145 N CB -0.159 38.420 38.487 0.154 0.000 0.993 145 N HN 0.633 nan 8.380 nan 0.000 0.426 146 Q N 0.505 120.293 119.800 -0.020 0.000 2.083 146 Q HA -0.011 4.330 4.340 0.001 0.000 0.198 146 Q C 2.270 178.235 176.000 -0.057 0.000 0.969 146 Q CA 0.828 56.612 55.803 -0.031 0.000 0.838 146 Q CB 0.028 28.741 28.738 -0.041 0.000 0.900 146 Q HN 0.144 nan 8.270 nan 0.000 0.436 147 V N 1.097 120.945 119.914 -0.110 0.000 2.332 147 V HA -0.251 3.870 4.120 0.001 0.000 0.248 147 V C 2.082 178.107 176.094 -0.116 0.000 1.055 147 V CA 1.883 64.120 62.300 -0.106 0.000 1.038 147 V CB -0.765 30.965 31.823 -0.156 0.000 0.651 147 V HN 0.365 nan 8.190 nan 0.000 0.450 148 A N -1.081 121.620 122.820 -0.198 0.000 2.238 148 A HA 0.027 4.348 4.320 0.001 0.000 0.208 148 A C 0.917 178.476 177.584 -0.040 0.000 1.177 148 A CA -0.041 51.871 52.037 -0.208 0.000 0.804 148 A CB -0.456 18.241 19.000 -0.506 0.000 0.823 148 A HN 0.612 nan 8.150 nan 0.000 0.482 149 E N -0.605 119.588 120.200 -0.010 0.000 2.529 149 E HA 0.272 4.622 4.350 0.001 0.000 0.259 149 E C 1.237 177.853 176.600 0.026 0.000 0.966 149 E CA 0.657 57.072 56.400 0.026 0.000 0.937 149 E CB 0.112 29.824 29.700 0.019 0.000 0.923 149 E HN 0.588 nan 8.360 nan 0.000 0.468 150 G N 3.053 111.879 108.800 0.042 0.000 2.184 150 G HA2 -0.274 3.687 3.960 0.001 0.000 0.264 150 G HA3 -0.274 3.687 3.960 0.001 0.000 0.264 150 G C 0.018 174.946 174.900 0.047 0.000 0.975 150 G CA 0.213 45.337 45.100 0.040 0.000 0.642 150 G HN 0.355 nan 8.290 nan 0.000 0.536 151 K N -0.092 120.339 120.400 0.053 0.000 2.164 151 K HA 0.748 5.069 4.320 0.001 0.000 0.258 151 K C 1.195 177.860 176.600 0.108 0.000 0.951 151 K CA -0.085 56.239 56.287 0.062 0.000 0.844 151 K CB 1.621 34.138 32.500 0.028 0.000 1.099 151 K HN 0.321 nan 8.250 nan 0.000 0.435 152 A N 2.324 125.222 122.820 0.130 0.000 2.014 152 A HA 0.014 4.334 4.320 0.001 0.000 0.218 152 A C 0.295 178.041 177.584 0.270 0.000 1.163 152 A CA 1.017 53.157 52.037 0.172 0.000 0.652 152 A CB -0.061 19.029 19.000 0.149 0.000 0.808 152 A HN 0.610 nan 8.150 nan 0.000 0.449 153 F N -2.156 117.846 119.950 0.087 0.000 2.608 153 F HA 0.531 5.058 4.527 0.001 0.000 0.309 153 F C -1.286 174.539 175.800 0.042 0.000 1.103 153 F CA -1.112 56.951 58.000 0.106 0.000 0.954 153 F CB 1.753 40.796 39.000 0.072 0.000 1.267 153 F HN -0.058 nan 8.300 nan 0.000 0.444 154 C N 5.788 124.669 119.300 -0.699 0.000 2.887 154 C HA 0.421 4.882 4.460 0.001 0.000 0.379 154 C C -1.824 172.777 174.990 -0.648 0.000 1.064 154 C CA -0.512 58.182 59.018 -0.540 0.000 1.282 154 C CB -0.020 27.357 27.740 -0.605 0.000 1.749 154 C HN 0.838 nan 8.230 nan 0.000 0.489 155 D N 4.373 124.529 120.400 -0.407 0.000 2.427 155 D HA 0.449 5.090 4.640 0.001 0.000 0.226 155 D C -0.518 175.821 176.300 0.065 0.000 1.076 155 D CA -0.069 53.842 54.000 -0.149 0.000 0.849 155 D CB 1.567 42.424 40.800 0.094 0.000 1.052 155 D HN 0.367 nan 8.370 nan 0.000 0.515 156 V N 6.634 126.560 119.914 0.021 0.000 2.368 156 V HA 0.136 4.257 4.120 0.001 0.000 0.266 156 V C 1.456 177.591 176.094 0.069 0.000 1.045 156 V CA -0.209 62.137 62.300 0.076 0.000 0.899 156 V CB 1.105 32.932 31.823 0.006 0.000 1.006 156 V HN 0.685 nan 8.190 nan 0.000 0.470 157 M N 3.753 123.377 119.600 0.040 0.000 2.299 157 M HA 0.238 4.719 4.480 0.001 0.000 0.264 157 M C 0.538 176.771 176.300 -0.111 0.000 1.095 157 M CA 1.503 56.755 55.300 -0.080 0.000 1.165 157 M CB 0.619 32.999 32.600 -0.368 0.000 1.349 157 M HN 0.593 nan 8.290 nan 0.000 0.446 158 E N 0.063 120.170 120.200 -0.154 0.000 2.317 158 E HA 0.497 4.847 4.350 0.001 0.000 0.270 158 E C -1.579 174.914 176.600 -0.178 0.000 0.885 158 E CA -0.699 55.612 56.400 -0.149 0.000 0.760 158 E CB 3.287 32.900 29.700 -0.145 0.000 1.227 158 E HN 0.011 nan 8.360 nan 0.000 0.434 159 V N 3.019 122.803 119.914 -0.217 0.000 2.524 159 V HA 0.351 4.471 4.120 0.001 0.000 0.297 159 V C -0.799 175.255 176.094 -0.067 0.000 1.035 159 V CA -0.829 61.337 62.300 -0.223 0.000 0.867 159 V CB 1.659 33.094 31.823 -0.647 0.000 1.004 159 V HN 0.486 nan 8.190 nan 0.000 0.426 160 K N 5.123 125.571 120.400 0.080 0.000 2.578 160 K HA 0.501 4.822 4.320 0.001 0.000 0.250 160 K C -3.058 173.735 176.600 0.321 0.000 0.955 160 K CA -1.907 54.506 56.287 0.210 0.000 0.825 160 K CB 2.934 35.626 32.500 0.321 0.000 1.151 160 K HN 0.284 nan 8.250 nan 0.000 0.432 161 P HA 0.137 nan 4.420 nan 0.000 0.275 161 P C -0.794 176.231 177.300 -0.459 0.000 1.228 161 P CA -0.368 62.655 63.100 -0.128 0.000 0.786 161 P CB 0.773 32.323 31.700 -0.250 0.000 0.927 162 A N 5.113 127.453 122.820 -0.799 0.000 2.362 162 A HA 0.479 4.800 4.320 0.001 0.000 0.276 162 A C -2.097 175.172 177.584 -0.524 0.000 1.153 162 A CA -1.490 49.704 52.037 -1.405 0.000 0.813 162 A CB -0.581 17.280 19.000 -1.899 0.000 1.081 162 A HN 0.389 nan 8.150 nan 0.000 0.507 163 P HA 0.182 nan 4.420 nan 0.000 0.274 163 P C -2.302 175.002 177.300 0.005 0.000 1.237 163 P CA -1.313 61.793 63.100 0.011 0.000 0.793 163 P CB 0.911 32.665 31.700 0.089 0.000 0.977 164 P HA 0.029 nan 4.420 nan 0.000 0.239 164 P C 0.740 178.123 177.300 0.139 0.000 1.188 164 P CA 1.003 64.166 63.100 0.105 0.000 0.794 164 P CB 0.383 32.119 31.700 0.061 0.000 0.937 165 E N -0.974 119.309 120.200 0.139 0.000 2.230 165 E HA -0.051 4.300 4.350 0.001 0.000 0.192 165 E C 0.226 176.940 176.600 0.190 0.000 0.987 165 E CA 0.210 56.675 56.400 0.109 0.000 0.841 165 E CB -0.970 28.775 29.700 0.075 0.000 0.783 165 E HN 0.417 nan 8.360 nan 0.000 0.481 166 H N -0.736 118.312 119.070 -0.037 0.000 2.791 166 H HA -0.193 4.364 4.556 0.001 0.000 0.302 166 H C 0.228 175.523 175.328 -0.054 0.000 1.198 166 H CA 0.339 56.354 56.048 -0.056 0.000 1.145 166 H CB -0.836 28.951 29.762 0.041 0.000 1.385 166 H HN 0.184 nan 8.280 nan 0.000 0.409 167 D N 0.229 120.650 120.400 0.035 0.000 2.414 167 D HA 0.023 4.664 4.640 0.001 0.000 0.237 167 D C 0.771 177.055 176.300 -0.026 0.000 0.975 167 D CA -0.036 53.961 54.000 -0.004 0.000 0.917 167 D CB 0.302 41.089 40.800 -0.021 0.000 1.061 167 D HN 0.199 nan 8.370 nan 0.000 0.480 168 L N 1.670 122.847 121.223 -0.076 0.000 2.410 168 L HA 0.365 4.706 4.340 0.001 0.000 0.273 168 L C -0.619 176.274 176.870 0.039 0.000 1.152 168 L CA 0.011 54.838 54.840 -0.021 0.000 0.855 168 L CB 1.138 43.133 42.059 -0.107 0.000 1.129 168 L HN -0.091 nan 8.230 nan 0.000 0.463 169 V N 5.791 125.842 119.914 0.229 0.000 2.709 169 V HA 0.899 5.019 4.120 0.001 0.000 0.308 169 V C -0.382 175.997 176.094 0.475 0.000 1.062 169 V CA -0.041 62.440 62.300 0.302 0.000 0.901 169 V CB 1.725 33.643 31.823 0.158 0.000 1.003 169 V HN 1.138 nan 8.190 nan 0.000 0.425 170 A N 6.301 129.422 122.820 0.502 0.000 2.312 170 A HA 0.986 5.307 4.320 0.001 0.000 0.328 170 A C -0.892 176.684 177.584 -0.014 0.000 1.158 170 A CA -0.480 51.554 52.037 -0.004 0.000 0.821 170 A CB 0.943 19.812 19.000 -0.217 0.000 1.170 170 A HN 1.572 nan 8.150 nan 0.000 0.490 171 F N 0.190 119.914 119.950 -0.377 0.000 2.601 171 F HA 0.747 5.275 4.527 0.001 0.000 0.309 171 F C -0.119 175.496 175.800 -0.308 0.000 1.089 171 F CA -0.737 57.080 58.000 -0.305 0.000 0.940 171 F CB 1.532 40.366 39.000 -0.277 0.000 1.273 171 F HN 0.511 nan 8.300 nan 0.000 0.450 172 S N 2.188 117.795 115.700 -0.154 0.000 2.475 172 S HA 0.819 5.290 4.470 0.001 0.000 0.298 172 S C -1.288 173.375 174.600 0.106 0.000 1.119 172 S CA -0.757 57.344 58.200 -0.164 0.000 1.085 172 S CB 1.658 64.723 63.200 -0.225 0.000 1.028 172 S HN 1.216 nan 8.310 nan 0.000 0.489 173 V N 1.823 121.825 119.914 0.147 0.000 2.760 173 V HA 0.645 4.766 4.120 0.001 0.000 0.309 173 V C -1.988 174.148 176.094 0.070 0.000 1.077 173 V CA -0.590 61.815 62.300 0.174 0.000 0.910 173 V CB 2.119 34.002 31.823 0.101 0.000 1.008 173 V HN 1.098 nan 8.190 nan 0.000 0.424 174 D N 6.180 126.542 120.400 -0.062 0.000 2.481 174 D HA 0.401 5.042 4.640 0.001 0.000 0.246 174 D C 0.279 176.581 176.300 0.003 0.000 1.109 174 D CA -0.505 53.320 54.000 -0.291 0.000 0.845 174 D CB 1.726 42.034 40.800 -0.820 0.000 1.160 174 D HN 0.398 nan 8.370 nan 0.000 0.534 175 M N 2.391 121.995 119.600 0.007 0.000 2.431 175 M HA 0.069 4.550 4.480 0.001 0.000 0.237 175 M C 1.109 177.498 176.300 0.149 0.000 1.130 175 M CA 0.191 55.557 55.300 0.111 0.000 1.002 175 M CB -0.419 32.190 32.600 0.014 0.000 1.524 175 M HN 0.492 nan 8.290 nan 0.000 0.482 176 S N -1.773 113.916 115.700 -0.018 0.000 2.727 176 S HA 0.411 4.882 4.470 0.001 0.000 0.249 176 S C 1.428 175.649 174.600 -0.631 0.000 1.079 176 S CA 0.631 58.614 58.200 -0.361 0.000 0.912 176 S CB 0.741 63.623 63.200 -0.529 0.000 0.861 176 S HN 0.482 nan 8.310 nan 0.000 0.484 177 G N 2.984 111.497 108.800 -0.478 0.000 2.179 177 G HA2 -0.256 3.705 3.960 0.001 0.000 0.220 177 G HA3 -0.256 3.705 3.960 0.001 0.000 0.220 177 G C 0.500 175.301 174.900 -0.165 0.000 0.990 177 G CA 0.246 45.037 45.100 -0.515 0.000 0.646 177 G HN 0.745 nan 8.290 nan 0.000 0.517 178 N N 1.210 119.817 118.700 -0.155 0.000 2.449 178 N HA 0.113 4.853 4.740 0.001 0.000 0.191 178 N C 0.752 176.229 175.510 -0.055 0.000 1.161 178 N CA 0.942 53.953 53.050 -0.064 0.000 0.863 178 N CB -0.356 38.103 38.487 -0.046 0.000 0.980 178 N HN 0.697 nan 8.380 nan 0.000 0.458 179 E N -1.491 118.637 120.200 -0.119 0.000 2.586 179 E HA -0.146 4.205 4.350 0.001 0.000 0.259 179 E C -1.159 175.423 176.600 -0.030 0.000 1.107 179 E CA 0.380 56.743 56.400 -0.063 0.000 0.754 179 E CB -1.745 28.088 29.700 0.221 0.000 1.335 179 E HN 0.175 nan 8.360 nan 0.000 0.411 180 V N 1.104 120.896 119.914 -0.204 0.000 2.417 180 V HA 0.460 4.581 4.120 0.001 0.000 0.291 180 V C -0.324 175.646 176.094 -0.207 0.000 1.024 180 V CA -0.379 61.890 62.300 -0.052 0.000 0.861 180 V CB 0.750 32.547 31.823 -0.043 0.000 0.985 180 V HN 0.136 nan 8.190 nan 0.000 0.436 181 Y N 1.394 121.672 120.300 -0.038 0.000 2.485 181 Y HA 0.546 5.097 4.550 0.001 0.000 0.345 181 Y C 0.646 176.461 175.900 -0.142 0.000 0.998 181 Y CA -0.779 57.277 58.100 -0.075 0.000 1.059 181 Y CB 2.319 40.735 38.460 -0.074 0.000 1.234 181 Y HN 0.482 nan 8.280 nan 0.000 0.461 182 T N 4.112 118.644 114.554 -0.037 0.000 2.837 182 T HA 0.496 4.847 4.350 0.001 0.000 0.285 182 T C -0.222 174.301 174.700 -0.296 0.000 0.984 182 T CA -0.501 61.492 62.100 -0.178 0.000 1.049 182 T CB 0.331 69.087 68.868 -0.187 0.000 0.947 182 T HN 0.331 nan 8.240 nan 0.000 0.472 183 I N 3.509 123.823 120.570 -0.426 0.000 2.325 183 I HA 0.319 4.490 4.170 0.001 0.000 0.291 183 I C 0.678 176.283 176.117 -0.854 0.000 1.019 183 I CA -0.317 60.588 61.300 -0.658 0.000 1.302 183 I CB 0.762 38.375 38.000 -0.645 0.000 1.401 183 I HN 0.578 nan 8.210 nan 0.000 0.485 184 E N 5.348 124.818 120.200 -1.217 0.000 2.355 184 E HA 0.680 5.031 4.350 0.001 0.000 0.261 184 E C -1.452 174.374 176.600 -1.291 0.000 0.943 184 E CA -0.802 54.954 56.400 -1.074 0.000 0.806 184 E CB 2.469 31.573 29.700 -0.993 0.000 1.286 184 E HN 0.256 nan 8.360 nan 0.000 0.424 185 F N 0.284 120.125 119.950 -0.182 0.000 2.599 185 F HA 0.479 5.006 4.527 0.001 0.000 0.311 185 F C -0.188 175.725 175.800 0.189 0.000 1.076 185 F CA -0.879 57.163 58.000 0.069 0.000 0.937 185 F CB 2.175 41.223 39.000 0.080 0.000 1.282 185 F HN 0.277 nan 8.300 nan 0.000 0.460 186 K N 1.075 121.714 120.400 0.398 0.000 2.556 186 K HA 0.641 4.962 4.320 0.001 0.000 0.274 186 K C -1.882 174.826 176.600 0.180 0.000 0.966 186 K CA -1.030 55.408 56.287 0.252 0.000 0.865 186 K CB 2.755 35.383 32.500 0.213 0.000 1.444 186 K HN 0.763 nan 8.250 nan 0.000 0.433 187 R N 3.867 124.428 120.500 0.103 0.000 2.343 187 R HA 0.337 4.677 4.340 0.001 0.000 0.320 187 R C 0.606 176.919 176.300 0.023 0.000 0.956 187 R CA -0.451 55.680 56.100 0.052 0.000 0.836 187 R CB 0.660 30.975 30.300 0.025 0.000 1.151 187 R HN 0.822 nan 8.270 nan 0.000 0.450 188 I N 2.012 122.584 120.570 0.004 0.000 2.226 188 I HA -0.285 3.886 4.170 0.001 0.000 0.245 188 I C 1.978 178.081 176.117 -0.023 0.000 1.100 188 I CA 1.667 62.952 61.300 -0.024 0.000 1.374 188 I CB -0.141 37.824 38.000 -0.058 0.000 1.057 188 I HN 0.676 nan 8.210 nan 0.000 0.413 189 S N -1.110 114.581 115.700 -0.014 0.000 2.561 189 S HA -0.087 4.383 4.470 0.001 0.000 0.225 189 S C 0.693 175.290 174.600 -0.004 0.000 0.977 189 S CA 0.469 58.665 58.200 -0.007 0.000 0.926 189 S CB -0.107 63.093 63.200 0.000 0.000 0.769 189 S HN 0.380 nan 8.310 nan 0.000 0.533 190 D N 1.161 121.559 120.400 -0.002 0.000 2.517 190 D HA 0.390 5.031 4.640 0.001 0.000 0.263 190 D C -2.495 173.810 176.300 0.008 0.000 1.233 190 D CA -2.061 51.940 54.000 0.002 0.000 0.849 190 D CB 1.442 42.243 40.800 0.001 0.000 1.261 190 D HN -0.013 nan 8.370 nan 0.000 0.516 191 P HA -0.048 nan 4.420 nan 0.000 0.226 191 P C 1.019 178.328 177.300 0.015 0.000 1.153 191 P CA 0.683 63.787 63.100 0.006 0.000 0.777 191 P CB 0.250 31.946 31.700 -0.006 0.000 0.794 192 S N -2.569 113.139 115.700 0.013 0.000 2.556 192 S HA 0.049 4.520 4.470 0.001 0.000 0.216 192 S C 0.895 175.506 174.600 0.020 0.000 0.970 192 S CA -0.421 57.788 58.200 0.015 0.000 0.912 192 S CB -0.661 62.545 63.200 0.010 0.000 0.790 192 S HN 0.088 nan 8.310 nan 0.000 0.504 193 Q N 2.173 121.986 119.800 0.022 0.000 2.293 193 Q HA 0.171 4.512 4.340 0.001 0.000 0.263 193 Q C -0.999 175.025 176.000 0.039 0.000 1.002 193 Q CA 0.177 55.994 55.803 0.023 0.000 0.910 193 Q CB 0.470 29.219 28.738 0.018 0.000 1.185 193 Q HN 0.228 nan 8.270 nan 0.000 0.401 194 T N 5.759 120.335 114.554 0.036 0.000 2.761 194 T HA 0.334 4.684 4.350 0.001 0.000 0.296 194 T C 0.169 174.898 174.700 0.049 0.000 0.934 194 T CA -0.128 62.001 62.100 0.048 0.000 1.091 194 T CB 0.118 69.007 68.868 0.034 0.000 0.896 194 T HN 0.473 nan 8.240 nan 0.000 0.515 195 I N 2.885 123.501 120.570 0.078 0.000 2.321 195 I HA 0.312 4.483 4.170 0.001 0.000 0.291 195 I C 1.320 177.476 176.117 0.066 0.000 0.998 195 I CA -0.647 60.694 61.300 0.068 0.000 1.227 195 I CB 1.482 39.549 38.000 0.112 0.000 1.368 195 I HN 0.734 nan 8.210 nan 0.000 0.466 196 A N 4.262 127.096 122.820 0.023 0.000 2.014 196 A HA -0.060 4.261 4.320 0.001 0.000 0.218 196 A C 0.600 178.196 177.584 0.020 0.000 1.163 196 A CA 0.615 52.662 52.037 0.018 0.000 0.652 196 A CB -0.536 18.465 19.000 0.001 0.000 0.808 196 A HN 0.722 nan 8.150 nan 0.000 0.449 197 D N 1.364 121.766 120.400 0.002 0.000 2.458 197 D HA 0.326 4.967 4.640 0.001 0.000 0.243 197 D C 0.052 176.416 176.300 0.106 0.000 1.146 197 D CA 0.854 54.847 54.000 -0.012 0.000 0.877 197 D CB 0.521 41.198 40.800 -0.205 0.000 1.176 197 D HN 0.091 nan 8.370 nan 0.000 0.461 198 K N 1.198 121.581 120.400 -0.028 0.000 2.468 198 K HA 0.501 4.822 4.320 0.001 0.000 0.252 198 K C -1.293 175.153 176.600 -0.257 0.000 0.932 198 K CA -0.915 55.317 56.287 -0.092 0.000 0.794 198 K CB 2.380 34.809 32.500 -0.119 0.000 1.241 198 K HN 0.121 nan 8.250 nan 0.000 0.428 199 V N 2.132 121.831 119.914 -0.359 0.000 2.350 199 V HA 0.275 4.395 4.120 0.001 0.000 0.285 199 V C 0.234 176.057 176.094 -0.452 0.000 1.014 199 V CA -0.668 61.296 62.300 -0.560 0.000 0.831 199 V CB 1.149 32.438 31.823 -0.890 0.000 1.000 199 V HN 0.900 nan 8.190 nan 0.000 0.433 200 S N 2.742 118.230 115.700 -0.353 0.000 2.722 200 S HA 0.797 5.268 4.470 0.001 0.000 0.292 200 S C 0.966 175.452 174.600 -0.190 0.000 1.135 200 S CA 0.065 58.125 58.200 -0.233 0.000 1.003 200 S CB 1.627 64.727 63.200 -0.167 0.000 1.067 200 S HN 2.120 nan 8.310 nan 0.000 0.546 201 G N 0.302 109.042 108.800 -0.099 0.000 2.147 201 G HA2 -0.207 3.754 3.960 0.001 0.000 0.244 201 G HA3 -0.207 3.754 3.960 0.001 0.000 0.244 201 G C 0.169 175.094 174.900 0.042 0.000 1.005 201 G CA 0.392 45.476 45.100 -0.028 0.000 0.713 201 G HN 1.544 nan 8.290 nan 0.000 0.515 202 T N -2.114 112.467 114.554 0.044 0.000 2.912 202 T HA 0.542 4.893 4.350 0.001 0.000 0.280 202 T C 1.270 176.088 174.700 0.196 0.000 0.989 202 T CA 0.223 62.401 62.100 0.129 0.000 0.995 202 T CB 1.382 70.281 68.868 0.052 0.000 1.077 202 T HN 0.517 nan 8.240 nan 0.000 0.531 203 N N -0.494 118.310 118.700 0.173 0.000 2.383 203 N HA 0.191 4.931 4.740 0.001 0.000 0.192 203 N C 1.461 176.938 175.510 -0.055 0.000 1.141 203 N CA 0.566 53.714 53.050 0.163 0.000 0.851 203 N CB -0.468 38.090 38.487 0.118 0.000 0.976 203 N HN 1.298 nan 8.380 nan 0.000 0.465 204 G N -0.403 108.293 108.800 -0.173 0.000 2.199 204 G HA2 -0.288 3.673 3.960 0.001 0.000 0.254 204 G HA3 -0.288 3.673 3.960 0.001 0.000 0.254 204 G C -0.376 174.295 174.900 -0.382 0.000 0.982 204 G CA 0.203 44.916 45.100 -0.646 0.000 0.632 204 G HN 0.527 nan 8.290 nan 0.000 0.529 205 E N -0.134 119.957 120.200 -0.182 0.000 2.343 205 E HA 0.627 4.977 4.350 0.001 0.000 0.269 205 E C -0.096 176.469 176.600 -0.057 0.000 1.047 205 E CA -0.259 56.082 56.400 -0.099 0.000 0.874 205 E CB 1.370 31.060 29.700 -0.017 0.000 1.033 205 E HN 0.383 nan 8.360 nan 0.000 0.409 206 I N 2.091 122.621 120.570 -0.066 0.000 2.499 206 I HA 0.268 4.438 4.170 0.001 0.000 0.288 206 I C -1.068 175.029 176.117 -0.033 0.000 1.048 206 I CA -0.862 60.379 61.300 -0.098 0.000 1.062 206 I CB 1.952 39.833 38.000 -0.198 0.000 1.238 206 I HN 0.174 nan 8.210 nan 0.000 0.426 207 V N 5.031 124.950 119.914 0.009 0.000 2.482 207 V HA 0.309 4.430 4.120 0.001 0.000 0.295 207 V C -0.706 175.473 176.094 0.141 0.000 1.026 207 V CA -0.662 61.725 62.300 0.145 0.000 0.856 207 V CB 1.352 33.313 31.823 0.229 0.000 1.001 207 V HN 0.597 nan 8.190 nan 0.000 0.424 208 W N 2.752 124.177 121.300 0.208 0.000 2.137 208 W HA 0.515 5.176 4.660 0.001 0.000 0.344 208 W C 1.300 177.933 176.519 0.191 0.000 1.286 208 W CA 1.051 58.489 57.345 0.155 0.000 1.240 208 W CB 0.576 30.115 29.460 0.133 0.000 1.141 208 W HN 0.770 nan 8.180 nan 0.000 0.579 209 G N 1.644 110.623 108.800 0.298 0.000 2.489 209 G HA2 0.118 4.078 3.960 0.001 0.000 0.271 209 G HA3 0.118 4.078 3.960 0.001 0.000 0.271 209 G C -1.680 173.395 174.900 0.292 0.000 1.427 209 G CA -0.655 44.591 45.100 0.244 0.000 1.057 209 G HN 0.331 nan 8.290 nan 0.000 0.532 210 P HA 0.059 nan 4.420 nan 0.000 0.226 210 P C -0.224 177.126 177.300 0.083 0.000 1.153 210 P CA 1.291 64.480 63.100 0.147 0.000 0.777 210 P CB 0.050 31.813 31.700 0.105 0.000 0.794 211 D N -2.723 117.707 120.400 0.050 0.000 2.812 211 D HA -0.007 4.634 4.640 0.001 0.000 0.318 211 D C 0.975 177.237 176.300 -0.063 0.000 1.234 211 D CA -0.753 53.194 54.000 -0.088 0.000 0.989 211 D CB -0.588 40.066 40.800 -0.243 0.000 1.442 211 D HN 0.121 nan 8.370 nan 0.000 0.537 212 H N -1.879 117.163 119.070 -0.048 0.000 2.553 212 H HA 0.089 4.646 4.556 0.001 0.000 0.269 212 H C 0.730 176.103 175.328 0.075 0.000 1.011 212 H CA 1.128 57.081 56.048 -0.158 0.000 1.150 212 H CB -0.381 29.234 29.762 -0.246 0.000 1.339 212 H HN 0.458 nan 8.280 nan 0.000 0.604 213 T N -1.238 113.372 114.554 0.094 0.000 3.081 213 T HA 0.082 4.432 4.350 0.001 0.000 0.255 213 T C 0.857 175.612 174.700 0.091 0.000 1.113 213 T CA 0.205 62.376 62.100 0.118 0.000 1.082 213 T CB 0.075 68.948 68.868 0.009 0.000 0.939 213 T HN 0.415 nan 8.240 nan 0.000 0.506 214 S N 0.670 116.462 115.700 0.153 0.000 2.565 214 S HA 0.707 5.178 4.470 0.001 0.000 0.269 214 S C -1.478 173.102 174.600 -0.034 0.000 1.153 214 S CA -1.059 57.135 58.200 -0.011 0.000 0.835 214 S CB 1.859 64.969 63.200 -0.150 0.000 1.122 214 S HN 0.725 nan 8.310 nan 0.000 0.462 215 L N -1.521 119.537 121.223 -0.275 0.000 2.403 215 L HA 0.959 5.300 4.340 0.001 0.000 0.253 215 L C -1.560 175.024 176.870 -0.477 0.000 1.045 215 L CA -1.036 53.529 54.840 -0.459 0.000 0.845 215 L CB 0.268 41.897 42.059 -0.717 0.000 1.447 215 L HN 0.664 nan 8.230 nan 0.000 0.411 216 F N 0.594 120.568 119.950 0.039 0.000 2.507 216 F HA 0.860 5.388 4.527 0.001 0.000 0.327 216 F C -0.321 175.550 175.800 0.119 0.000 1.068 216 F CA -0.327 57.705 58.000 0.053 0.000 0.965 216 F CB 1.845 40.842 39.000 -0.006 0.000 1.192 216 F HN 0.726 nan 8.300 nan 0.000 0.476 217 Y N -1.610 118.836 120.300 0.244 0.000 2.689 217 Y HA 0.813 5.364 4.550 0.001 0.000 0.333 217 Y C -2.228 173.803 175.900 0.218 0.000 1.208 217 Y CA -1.706 56.476 58.100 0.137 0.000 1.055 217 Y CB 0.903 39.376 38.460 0.022 0.000 1.304 217 Y HN 0.334 nan 8.280 nan 0.000 0.455 218 V N 2.033 122.119 119.914 0.286 0.000 2.588 218 V HA 0.698 4.819 4.120 0.001 0.000 0.304 218 V C -0.237 176.053 176.094 0.327 0.000 1.042 218 V CA -0.086 62.350 62.300 0.227 0.000 0.877 218 V CB 1.786 33.699 31.823 0.150 0.000 0.996 218 V HN 1.075 nan 8.190 nan 0.000 0.425 219 T N 1.848 116.616 114.554 0.356 0.000 2.949 219 T HA 0.719 5.070 4.350 0.001 0.000 0.287 219 T C -0.622 174.207 174.700 0.215 0.000 1.034 219 T CA -0.954 61.333 62.100 0.312 0.000 1.018 219 T CB 2.026 71.128 68.868 0.390 0.000 1.135 219 T HN 0.516 nan 8.240 nan 0.000 0.532 220 K N 1.071 121.570 120.400 0.165 0.000 2.259 220 K HA 0.484 4.805 4.320 0.001 0.000 0.249 220 K C -0.401 176.260 176.600 0.102 0.000 0.942 220 K CA -0.970 55.387 56.287 0.117 0.000 0.816 220 K CB 1.247 33.806 32.500 0.098 0.000 1.155 220 K HN 0.852 nan 8.250 nan 0.000 0.428 221 D N 0.783 121.229 120.400 0.077 0.000 2.414 221 D HA -0.088 4.553 4.640 0.001 0.000 0.259 221 D C 1.001 177.336 176.300 0.059 0.000 1.269 221 D CA -0.189 53.851 54.000 0.067 0.000 1.028 221 D CB 0.440 41.270 40.800 0.050 0.000 1.093 221 D HN 0.573 nan 8.370 nan 0.000 0.545 222 E N -0.649 119.585 120.200 0.056 0.000 2.204 222 E HA -0.201 4.150 4.350 0.001 0.000 0.195 222 E C 1.390 178.020 176.600 0.051 0.000 0.990 222 E CA 1.838 58.270 56.400 0.053 0.000 0.821 222 E CB -1.342 28.391 29.700 0.054 0.000 0.750 222 E HN 0.608 nan 8.360 nan 0.000 0.477 223 T N -1.189 113.392 114.554 0.044 0.000 3.188 223 T HA 0.342 4.693 4.350 0.001 0.000 0.250 223 T C 1.104 175.819 174.700 0.024 0.000 1.077 223 T CA 0.055 62.175 62.100 0.035 0.000 0.967 223 T CB -0.611 68.268 68.868 0.018 0.000 1.006 223 T HN 0.268 nan 8.240 nan 0.000 0.552 224 L N -0.948 120.296 121.223 0.035 0.000 4.351 224 L HA -0.162 4.179 4.340 0.001 0.000 0.410 224 L C 0.587 177.477 176.870 0.033 0.000 1.150 224 L CA 0.171 55.033 54.840 0.037 0.000 0.961 224 L CB -1.677 40.398 42.059 0.026 0.000 2.130 224 L HN 0.454 nan 8.230 nan 0.000 0.787 225 R N 1.657 122.175 120.500 0.030 0.000 2.265 225 R HA 0.329 4.670 4.340 0.001 0.000 0.314 225 R C 0.259 176.593 176.300 0.056 0.000 1.053 225 R CA -0.438 55.680 56.100 0.030 0.000 0.931 225 R CB 0.684 30.994 30.300 0.017 0.000 1.024 225 R HN 0.079 nan 8.270 nan 0.000 0.457 226 E N 2.819 123.062 120.200 0.071 0.000 2.351 226 E HA -0.065 4.286 4.350 0.001 0.000 0.266 226 E C 0.217 176.863 176.600 0.077 0.000 1.031 226 E CA 0.276 56.731 56.400 0.092 0.000 0.911 226 E CB 0.485 30.250 29.700 0.108 0.000 0.986 226 E HN 0.642 nan 8.360 nan 0.000 0.446 227 N N 2.545 121.280 118.700 0.059 0.000 2.067 227 N HA 0.031 4.772 4.740 0.001 0.000 0.227 227 N C -0.584 174.884 175.510 -0.069 0.000 1.348 227 N CA -0.076 52.970 53.050 -0.008 0.000 0.879 227 N CB 0.733 39.194 38.487 -0.043 0.000 1.109 227 N HN 0.120 nan 8.380 nan 0.000 0.501 228 K N 0.500 120.892 120.400 -0.013 0.000 2.464 228 K HA 0.576 4.896 4.320 0.001 0.000 0.253 228 K C -1.426 175.111 176.600 -0.105 0.000 0.933 228 K CA -0.766 55.433 56.287 -0.147 0.000 0.801 228 K CB 3.431 35.798 32.500 -0.222 0.000 1.271 228 K HN -0.197 nan 8.250 nan 0.000 0.430 229 V N 1.849 121.610 119.914 -0.255 0.000 2.555 229 V HA 0.526 4.647 4.120 0.001 0.000 0.302 229 V C -1.198 174.668 176.094 -0.381 0.000 1.038 229 V CA -0.787 61.389 62.300 -0.205 0.000 0.887 229 V CB 0.945 32.661 31.823 -0.178 0.000 0.991 229 V HN 0.700 nan 8.190 nan 0.000 0.434 230 W N 2.261 123.331 121.300 -0.383 0.000 2.975 230 W HA 0.719 5.379 4.660 0.001 0.000 0.342 230 W C -0.132 176.251 176.519 -0.227 0.000 1.168 230 W CA -0.778 56.322 57.345 -0.408 0.000 1.141 230 W CB 1.633 30.561 29.460 -0.887 0.000 1.445 230 W HN 0.348 nan 8.180 nan 0.000 0.560 231 R N 1.850 122.483 120.500 0.223 0.000 2.387 231 R HA 0.344 4.685 4.340 0.001 0.000 0.314 231 R C -1.334 175.110 176.300 0.240 0.000 0.958 231 R CA -0.759 55.416 56.100 0.125 0.000 0.846 231 R CB 0.900 31.240 30.300 0.066 0.000 1.147 231 R HN 0.678 nan 8.270 nan 0.000 0.447 232 H N 3.001 122.159 119.070 0.147 0.000 2.467 232 H HA 0.334 4.891 4.556 0.001 0.000 0.326 232 H C -1.168 174.153 175.328 -0.012 0.000 1.094 232 H CA -0.371 55.753 56.048 0.127 0.000 1.253 232 H CB 1.399 31.242 29.762 0.134 0.000 1.439 232 H HN 0.245 nan 8.280 nan 0.000 0.479 233 V N 6.699 126.270 119.914 -0.572 0.000 2.383 233 V HA 0.126 4.247 4.120 0.001 0.000 0.275 233 V C 0.196 175.834 176.094 -0.760 0.000 1.036 233 V CA -0.919 61.101 62.300 -0.467 0.000 0.889 233 V CB 1.012 32.697 31.823 -0.230 0.000 0.985 233 V HN 0.836 nan 8.190 nan 0.000 0.459 234 M N 3.748 123.086 119.600 -0.435 0.000 2.261 234 M HA 0.183 4.664 4.480 0.001 0.000 0.350 234 M C 1.403 177.576 176.300 -0.212 0.000 1.343 234 M CA 1.289 56.405 55.300 -0.307 0.000 1.003 234 M CB -0.720 31.808 32.600 -0.119 0.000 1.848 234 M HN 1.071 nan 8.290 nan 0.000 0.456 235 G N 2.712 111.420 108.800 -0.152 0.000 2.175 235 G HA2 -0.195 3.766 3.960 0.001 0.000 0.244 235 G HA3 -0.195 3.766 3.960 0.001 0.000 0.244 235 G C 0.309 175.172 174.900 -0.062 0.000 0.982 235 G CA -0.193 44.857 45.100 -0.084 0.000 0.641 235 G HN 0.561 nan 8.290 nan 0.000 0.527 236 K N 0.054 120.398 120.400 -0.094 0.000 2.106 236 K HA 0.673 4.993 4.320 0.001 0.000 0.246 236 K C 0.742 177.408 176.600 0.109 0.000 0.987 236 K CA -0.777 55.498 56.287 -0.021 0.000 0.904 236 K CB 1.421 33.879 32.500 -0.070 0.000 1.071 236 K HN 0.200 nan 8.250 nan 0.000 0.453 237 L N 1.472 122.738 121.223 0.073 0.000 2.452 237 L HA 0.044 4.385 4.340 0.001 0.000 0.267 237 L C 2.102 179.026 176.870 0.089 0.000 1.188 237 L CA 0.128 55.004 54.840 0.059 0.000 0.821 237 L CB 0.275 42.346 42.059 0.019 0.000 1.102 237 L HN 0.699 nan 8.230 nan 0.000 0.470 238 Q N 0.945 120.741 119.800 -0.007 0.000 2.226 238 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 238 Q C 1.935 177.903 176.000 -0.054 0.000 0.975 238 Q CA 1.718 57.480 55.803 -0.068 0.000 0.866 238 Q CB 0.142 28.739 28.738 -0.236 0.000 0.915 238 Q HN 0.895 nan 8.270 nan 0.000 0.440 239 S N -0.409 115.269 115.700 -0.037 0.000 2.469 239 S HA -0.130 4.341 4.470 0.001 0.000 0.238 239 S C 1.143 175.769 174.600 0.043 0.000 0.998 239 S CA 1.119 59.309 58.200 -0.016 0.000 0.957 239 S CB -0.078 63.118 63.200 -0.006 0.000 0.764 239 S HN 0.449 nan 8.310 nan 0.000 0.514 240 E N 1.073 121.311 120.200 0.063 0.000 2.479 240 E HA 0.087 4.437 4.350 0.001 0.000 0.193 240 E C -0.571 176.113 176.600 0.139 0.000 1.049 240 E CA -0.152 56.300 56.400 0.087 0.000 0.870 240 E CB 0.031 29.766 29.700 0.059 0.000 0.944 240 E HN 0.550 nan 8.360 nan 0.000 0.492 241 D N 0.987 121.495 120.400 0.180 0.000 2.423 241 D HA 0.009 4.650 4.640 0.001 0.000 0.238 241 D C -0.270 176.300 176.300 0.450 0.000 1.142 241 D CA 0.254 54.436 54.000 0.302 0.000 0.884 241 D CB 1.251 42.255 40.800 0.340 0.000 1.199 241 D HN -0.206 nan 8.370 nan 0.000 0.438 242 V N 1.908 122.062 119.914 0.399 0.000 2.394 242 V HA 0.103 4.223 4.120 0.001 0.000 0.282 242 V C 0.225 176.421 176.094 0.169 0.000 1.031 242 V CA -0.881 61.578 62.300 0.265 0.000 0.881 242 V CB 1.784 33.681 31.823 0.122 0.000 0.982 242 V HN 0.726 nan 8.190 nan 0.000 0.451 243 C N 6.721 125.872 119.300 -0.248 0.000 2.464 243 C HA 0.389 4.849 4.460 0.001 0.000 0.370 243 C C 1.354 176.085 174.990 -0.432 0.000 1.267 243 C CA -0.383 58.118 59.018 -0.862 0.000 1.781 243 C CB -0.711 26.215 27.740 -1.357 0.000 2.431 243 C HN 0.851 nan 8.230 nan 0.000 0.556 244 L N 5.132 126.156 121.223 -0.332 0.000 2.375 244 L HA 0.332 4.673 4.340 0.001 0.000 0.215 244 L C 0.071 176.846 176.870 -0.158 0.000 1.108 244 L CA 0.949 55.679 54.840 -0.184 0.000 0.830 244 L CB -0.940 41.047 42.059 -0.120 0.000 0.959 244 L HN 0.813 nan 8.230 nan 0.000 0.457 245 Y N -0.755 119.286 120.300 -0.432 0.000 2.424 245 Y HA 0.437 4.988 4.550 0.001 0.000 0.323 245 Y C -1.030 174.608 175.900 -0.436 0.000 1.174 245 Y CA -1.340 56.511 58.100 -0.415 0.000 1.060 245 Y CB 1.158 39.364 38.460 -0.422 0.000 1.314 245 Y HN 0.043 nan 8.280 nan 0.000 0.439 246 E N 4.061 123.774 120.200 -0.812 0.000 2.246 246 E HA 0.363 4.714 4.350 0.001 0.000 0.266 246 E C -1.739 174.339 176.600 -0.870 0.000 0.880 246 E CA -0.831 55.135 56.400 -0.723 0.000 0.762 246 E CB 1.558 30.876 29.700 -0.637 0.000 1.180 246 E HN 0.523 nan 8.360 nan 0.000 0.416 247 E N 2.888 122.724 120.200 -0.608 0.000 2.073 247 E HA 0.200 4.551 4.350 0.001 0.000 0.269 247 E C -0.707 175.700 176.600 -0.323 0.000 0.917 247 E CA -0.123 56.022 56.400 -0.424 0.000 0.757 247 E CB 0.493 30.101 29.700 -0.154 0.000 1.111 247 E HN 0.630 nan 8.360 nan 0.000 0.410 248 H N 1.902 120.878 119.070 -0.158 0.000 2.535 248 H HA 0.109 4.666 4.556 0.001 0.000 0.273 248 H C 0.259 175.584 175.328 -0.006 0.000 0.983 248 H CA 0.520 56.523 56.048 -0.075 0.000 1.238 248 H CB 0.345 30.058 29.762 -0.082 0.000 1.412 248 H HN 0.278 nan 8.280 nan 0.000 0.562 249 N N 1.698 120.463 118.700 0.108 0.000 2.408 249 N HA 0.004 4.745 4.740 0.001 0.000 0.257 249 N C -1.915 173.737 175.510 0.236 0.000 1.064 249 N CA -2.114 51.051 53.050 0.192 0.000 0.952 249 N CB 1.322 39.942 38.487 0.223 0.000 1.093 249 N HN 0.029 nan 8.380 nan 0.000 0.490 250 P HA -0.065 nan 4.420 nan 0.000 0.228 250 P C 1.453 178.787 177.300 0.057 0.000 1.151 250 P CA 0.720 63.873 63.100 0.089 0.000 0.770 250 P CB 0.413 32.131 31.700 0.031 0.000 0.786 251 L N -2.365 118.940 121.223 0.137 0.000 2.201 251 L HA -0.046 4.295 4.340 0.001 0.000 0.212 251 L C 1.070 177.879 176.870 -0.103 0.000 1.105 251 L CA 0.934 55.765 54.840 -0.015 0.000 0.775 251 L CB -0.475 41.546 42.059 -0.063 0.000 0.913 251 L HN -0.101 nan 8.230 nan 0.000 0.440 252 F N -0.864 119.110 119.950 0.041 0.000 2.458 252 F HA 0.308 4.836 4.527 0.001 0.000 0.330 252 F C 0.524 176.354 175.800 0.049 0.000 1.082 252 F CA -0.859 57.177 58.000 0.060 0.000 0.995 252 F CB 1.677 40.724 39.000 0.078 0.000 1.170 252 F HN -0.234 nan 8.300 nan 0.000 0.478 253 S N 1.614 117.479 115.700 0.274 0.000 2.500 253 S HA 0.853 5.324 4.470 0.001 0.000 0.301 253 S C -0.539 174.211 174.600 0.249 0.000 1.092 253 S CA -0.996 57.325 58.200 0.202 0.000 1.030 253 S CB 1.529 64.809 63.200 0.132 0.000 1.031 253 S HN 0.871 nan 8.310 nan 0.000 0.483 254 A N 2.490 125.412 122.820 0.169 0.000 2.386 254 A HA 0.718 5.038 4.320 0.001 0.000 0.248 254 A C -0.207 177.448 177.584 0.118 0.000 1.082 254 A CA -0.464 51.628 52.037 0.090 0.000 0.789 254 A CB -0.372 18.682 19.000 0.089 0.000 1.025 254 A HN 1.482 nan 8.150 nan 0.000 0.490 255 F N -0.608 119.348 119.950 0.009 0.000 2.645 255 F HA 0.780 5.308 4.527 0.001 0.000 0.310 255 F C -0.839 174.926 175.800 -0.059 0.000 1.102 255 F CA -1.411 56.597 58.000 0.013 0.000 0.952 255 F CB 1.415 40.451 39.000 0.060 0.000 1.326 255 F HN 0.780 nan 8.300 nan 0.000 0.456 256 M N 2.442 122.201 119.600 0.265 0.000 2.531 256 M HA 0.861 5.342 4.480 0.001 0.000 0.286 256 M C -2.253 174.210 176.300 0.272 0.000 1.232 256 M CA -0.734 54.614 55.300 0.080 0.000 0.877 256 M CB 3.197 35.738 32.600 -0.099 0.000 1.726 256 M HN 1.067 nan 8.290 nan 0.000 0.463 257 Y N -1.537 118.802 120.300 0.067 0.000 2.641 257 Y HA 0.635 5.186 4.550 0.001 0.000 0.333 257 Y C -1.904 174.001 175.900 0.009 0.000 1.174 257 Y CA -1.216 56.906 58.100 0.037 0.000 1.057 257 Y CB 1.153 39.633 38.460 0.033 0.000 1.322 257 Y HN 0.946 nan 8.280 nan 0.000 0.457 258 K N 2.022 122.516 120.400 0.157 0.000 2.143 258 K HA 0.792 5.113 4.320 0.001 0.000 0.272 258 K C -0.033 176.659 176.600 0.153 0.000 1.001 258 K CA -0.348 55.989 56.287 0.083 0.000 0.915 258 K CB 1.185 33.756 32.500 0.119 0.000 1.047 258 K HN 0.992 nan 8.250 nan 0.000 0.458 259 A N 2.874 125.735 122.820 0.069 0.000 2.466 259 A HA 0.241 4.562 4.320 0.001 0.000 0.238 259 A C 1.126 178.751 177.584 0.068 0.000 1.074 259 A CA 0.672 52.763 52.037 0.089 0.000 0.774 259 A CB 0.314 19.321 19.000 0.012 0.000 1.015 259 A HN 0.983 nan 8.150 nan 0.000 0.498 260 A N 1.095 123.971 122.820 0.094 0.000 1.972 260 A HA -0.131 4.190 4.320 0.001 0.000 0.219 260 A C 1.475 179.034 177.584 -0.042 0.000 1.169 260 A CA 1.950 54.065 52.037 0.130 0.000 0.635 260 A CB -0.525 18.665 19.000 0.316 0.000 0.810 260 A HN 0.926 nan 8.150 nan 0.000 0.446 261 D N -1.216 118.903 120.400 -0.468 0.000 2.349 261 D HA -0.061 4.579 4.640 0.001 0.000 0.224 261 D C 0.972 177.142 176.300 -0.216 0.000 1.029 261 D CA 1.482 55.053 54.000 -0.714 0.000 0.879 261 D CB -0.958 39.134 40.800 -1.180 0.000 0.906 261 D HN 0.744 nan 8.370 nan 0.000 0.528 262 T N -3.523 110.984 114.554 -0.078 0.000 6.974 262 T HA -0.263 4.088 4.350 0.001 0.000 0.287 262 T C 0.793 175.503 174.700 0.016 0.000 2.146 262 T CA 1.062 63.179 62.100 0.028 0.000 3.451 262 T CB -2.546 66.381 68.868 0.098 0.000 1.630 262 T HN 0.278 nan 8.240 nan 0.000 1.173 263 N N 1.091 119.765 118.700 -0.043 0.000 2.422 263 N HA 0.176 4.917 4.740 0.001 0.000 0.181 263 N C 0.145 175.644 175.510 -0.017 0.000 1.080 263 N CA 0.987 54.019 53.050 -0.029 0.000 0.893 263 N CB 0.625 39.073 38.487 -0.065 0.000 0.973 263 N HN 0.786 nan 8.380 nan 0.000 0.456 264 T N 0.536 115.074 114.554 -0.026 0.000 2.933 264 T HA 0.375 4.726 4.350 0.001 0.000 0.305 264 T C -1.098 173.549 174.700 -0.088 0.000 1.092 264 T CA -0.595 61.478 62.100 -0.045 0.000 1.008 264 T CB 2.550 71.393 68.868 -0.041 0.000 1.102 264 T HN -0.143 nan 8.240 nan 0.000 0.469 265 L N 2.156 123.281 121.223 -0.163 0.000 2.307 265 L HA 0.643 4.983 4.340 0.001 0.000 0.284 265 L C -0.736 175.932 176.870 -0.337 0.000 1.023 265 L CA -0.365 54.299 54.840 -0.293 0.000 0.810 265 L CB 0.586 42.346 42.059 -0.500 0.000 1.231 265 L HN 0.831 nan 8.230 nan 0.000 0.423 266 C N 6.123 125.134 119.300 -0.481 0.000 2.347 266 C HA 0.581 5.042 4.460 0.001 0.000 0.353 266 C C 0.262 174.937 174.990 -0.525 0.000 1.273 266 C CA -0.728 57.969 59.018 -0.534 0.000 1.861 266 C CB -0.790 26.400 27.740 -0.917 0.000 2.420 266 C HN 0.628 nan 8.230 nan 0.000 0.542 267 I N 2.785 123.065 120.570 -0.484 0.000 2.545 267 I HA 0.764 4.934 4.170 0.001 0.000 0.292 267 I C 0.536 176.056 176.117 -0.994 0.000 1.040 267 I CA 0.255 61.106 61.300 -0.748 0.000 1.068 267 I CB 2.062 39.603 38.000 -0.766 0.000 1.251 267 I HN 0.850 nan 8.210 nan 0.000 0.424 268 G N 2.972 110.781 108.800 -1.652 0.000 2.494 268 G HA2 0.577 4.538 3.960 0.001 0.000 0.308 268 G HA3 0.577 4.538 3.960 0.001 0.000 0.308 268 G C -1.795 172.434 174.900 -1.118 0.000 1.263 268 G CA -0.363 43.950 45.100 -1.312 0.000 0.840 268 G HN 0.448 nan 8.290 nan 0.000 0.479 269 S N -0.246 115.287 115.700 -0.278 0.000 2.548 269 S HA 0.715 5.186 4.470 0.001 0.000 0.286 269 S C -0.901 174.047 174.600 0.581 0.000 1.098 269 S CA -0.654 57.674 58.200 0.213 0.000 0.930 269 S CB 1.847 65.155 63.200 0.181 0.000 1.070 269 S HN 0.853 nan 8.310 nan 0.000 0.480 270 Q N 0.019 120.199 119.800 0.632 0.000 2.377 270 Q HA 0.799 5.140 4.340 0.001 0.000 0.279 270 Q C -1.187 174.906 176.000 0.154 0.000 1.049 270 Q CA -0.986 55.078 55.803 0.433 0.000 0.825 270 Q CB 1.866 30.760 28.738 0.260 0.000 1.401 270 Q HN 0.607 nan 8.270 nan 0.000 0.404 271 S N -0.059 115.540 115.700 -0.169 0.000 2.704 271 S HA 0.611 5.082 4.470 0.001 0.000 0.296 271 S C -2.348 172.146 174.600 -0.177 0.000 1.138 271 S CA -1.414 56.552 58.200 -0.390 0.000 0.875 271 S CB 1.836 64.419 63.200 -1.028 0.000 1.151 271 S HN 0.450 nan 8.310 nan 0.000 0.500 272 P HA -0.027 nan 4.420 nan 0.000 0.216 272 P C 1.041 178.348 177.300 0.011 0.000 1.150 272 P CA 1.152 64.231 63.100 -0.035 0.000 0.837 272 P CB 0.105 31.768 31.700 -0.062 0.000 0.786 273 E N -1.438 118.754 120.200 -0.012 0.000 2.318 273 E HA 0.063 4.414 4.350 0.001 0.000 0.193 273 E C 0.162 176.814 176.600 0.085 0.000 0.998 273 E CA 1.013 57.447 56.400 0.058 0.000 0.859 273 E CB 0.095 29.841 29.700 0.078 0.000 0.812 273 E HN 0.237 nan 8.360 nan 0.000 0.492 274 T N 0.217 114.806 114.554 0.058 0.000 2.956 274 T HA 0.613 4.963 4.350 0.001 0.000 0.312 274 T C -1.072 173.793 174.700 0.275 0.000 1.151 274 T CA -0.633 61.587 62.100 0.200 0.000 1.024 274 T CB 2.177 71.228 68.868 0.306 0.000 1.140 274 T HN 0.076 nan 8.240 nan 0.000 0.473 275 A N 1.757 124.740 122.820 0.273 0.000 2.423 275 A HA 0.923 5.243 4.320 0.001 0.000 0.304 275 A C -1.063 176.582 177.584 0.101 0.000 1.104 275 A CA -0.722 51.415 52.037 0.167 0.000 0.757 275 A CB 1.793 20.730 19.000 -0.106 0.000 1.313 275 A HN 0.807 nan 8.150 nan 0.000 0.423 276 E N 0.580 120.813 120.200 0.055 0.000 2.304 276 E HA 0.563 4.914 4.350 0.001 0.000 0.277 276 E C -1.995 174.597 176.600 -0.015 0.000 0.898 276 E CA -0.438 55.981 56.400 0.032 0.000 0.764 276 E CB 2.086 31.851 29.700 0.109 0.000 1.216 276 E HN 0.468 nan 8.360 nan 0.000 0.419 277 V N 4.176 124.079 119.914 -0.018 0.000 2.680 277 V HA 0.494 4.615 4.120 0.001 0.000 0.309 277 V C -0.505 175.496 176.094 -0.154 0.000 1.052 277 V CA -0.751 61.562 62.300 0.022 0.000 0.908 277 V CB 1.897 33.829 31.823 0.183 0.000 1.001 277 V HN 0.674 nan 8.190 nan 0.000 0.431 278 H N 3.664 122.661 119.070 -0.122 0.000 2.679 278 H HA 0.641 5.198 4.556 0.001 0.000 0.367 278 H C -1.177 174.064 175.328 -0.146 0.000 1.162 278 H CA -0.658 55.324 56.048 -0.111 0.000 1.181 278 H CB 2.572 32.219 29.762 -0.191 0.000 1.693 278 H HN 0.384 nan 8.280 nan 0.000 0.538 279 L N 2.692 123.927 121.223 0.021 0.000 2.329 279 L HA 0.325 4.666 4.340 0.001 0.000 0.279 279 L C -0.675 176.174 176.870 -0.035 0.000 1.014 279 L CA -0.992 53.829 54.840 -0.032 0.000 0.814 279 L CB 1.837 43.901 42.059 0.009 0.000 1.257 279 L HN 0.175 nan 8.230 nan 0.000 0.424 280 L N 2.656 123.826 121.223 -0.088 0.000 2.319 280 L HA 0.430 4.771 4.340 0.001 0.000 0.281 280 L C -0.437 176.444 176.870 0.019 0.000 1.005 280 L CA -0.168 54.644 54.840 -0.046 0.000 0.828 280 L CB 1.324 43.281 42.059 -0.171 0.000 1.227 280 L HN 0.421 nan 8.230 nan 0.000 0.415 281 D N 4.131 124.605 120.400 0.123 0.000 2.417 281 D HA 0.073 4.714 4.640 0.001 0.000 0.250 281 D C 0.736 177.082 176.300 0.077 0.000 1.166 281 D CA 0.331 54.362 54.000 0.051 0.000 0.881 281 D CB 0.915 41.693 40.800 -0.037 0.000 1.164 281 D HN 0.663 nan 8.370 nan 0.000 0.467 282 L N 3.725 124.977 121.223 0.048 0.000 2.592 282 L HA 0.171 4.512 4.340 0.001 0.000 0.227 282 L C 1.820 178.720 176.870 0.050 0.000 1.127 282 L CA 0.051 54.947 54.840 0.093 0.000 0.884 282 L CB 0.074 42.203 42.059 0.118 0.000 1.065 282 L HN 0.218 nan 8.230 nan 0.000 0.457 283 R N 0.258 120.752 120.500 -0.010 0.000 2.359 283 R HA 0.076 4.417 4.340 0.001 0.000 0.231 283 R C 0.539 176.803 176.300 -0.061 0.000 0.913 283 R CA 0.143 56.226 56.100 -0.029 0.000 1.075 283 R CB 0.206 30.482 30.300 -0.039 0.000 1.087 283 R HN 0.221 nan 8.270 nan 0.000 0.515 284 K N 0.611 120.953 120.400 -0.096 0.000 2.726 284 K HA 0.239 4.559 4.320 0.001 0.000 0.209 284 K C 0.036 176.626 176.600 -0.016 0.000 1.082 284 K CA -0.007 56.201 56.287 -0.132 0.000 1.081 284 K CB 1.579 33.846 32.500 -0.389 0.000 0.830 284 K HN 0.243 nan 8.250 nan 0.000 0.470 285 G N 1.530 110.345 108.800 0.024 0.000 2.757 285 G HA2 -0.237 3.724 3.960 0.001 0.000 0.638 285 G HA3 -0.237 3.724 3.960 0.001 0.000 0.638 285 G C -0.226 174.729 174.900 0.091 0.000 1.344 285 G CA -0.772 44.356 45.100 0.047 0.000 0.855 285 G HN 0.279 nan 8.290 nan 0.000 0.537 286 N N 0.275 119.015 118.700 0.067 0.000 2.461 286 N HA 0.211 4.952 4.740 0.001 0.000 0.188 286 N C 1.696 177.251 175.510 0.075 0.000 1.134 286 N CA 1.128 54.218 53.050 0.066 0.000 0.878 286 N CB 0.440 38.937 38.487 0.018 0.000 0.972 286 N HN 1.059 nan 8.380 nan 0.000 0.456 287 A N -0.338 122.536 122.820 0.090 0.000 2.390 287 A HA 0.029 4.350 4.320 0.001 0.000 0.232 287 A C 0.326 177.976 177.584 0.111 0.000 1.233 287 A CA -0.194 51.892 52.037 0.082 0.000 0.907 287 A CB -0.381 18.653 19.000 0.056 0.000 0.967 287 A HN 0.274 nan 8.150 nan 0.000 0.512 288 H N 1.252 120.353 119.070 0.052 0.000 3.015 288 H HA 0.300 4.857 4.556 0.001 0.000 0.268 288 H C 0.188 175.551 175.328 0.058 0.000 1.113 288 H CA 0.118 56.194 56.048 0.046 0.000 1.479 288 H CB 0.257 30.044 29.762 0.042 0.000 1.493 288 H HN 0.165 nan 8.280 nan 0.000 0.486 289 N N 3.323 121.846 118.700 -0.294 0.000 2.171 289 N HA 0.020 4.761 4.740 0.001 0.000 0.212 289 N C -0.537 174.786 175.510 -0.311 0.000 1.184 289 N CA 0.031 52.959 53.050 -0.203 0.000 0.888 289 N CB 0.836 39.275 38.487 -0.080 0.000 1.038 289 N HN 0.476 nan 8.380 nan 0.000 0.517 290 T N 1.942 116.150 114.554 -0.577 0.000 2.814 290 T HA 0.309 4.660 4.350 0.001 0.000 0.297 290 T C 0.645 175.227 174.700 -0.197 0.000 0.956 290 T CA -0.091 61.804 62.100 -0.341 0.000 1.123 290 T CB 0.923 69.616 68.868 -0.292 0.000 0.902 290 T HN -0.035 nan 8.240 nan 0.000 0.528 291 L N 3.373 124.542 121.223 -0.090 0.000 2.379 291 L HA 0.457 4.798 4.340 0.001 0.000 0.269 291 L C 0.543 177.454 176.870 0.067 0.000 1.084 291 L CA -0.706 54.126 54.840 -0.014 0.000 0.802 291 L CB 0.979 43.023 42.059 -0.026 0.000 1.175 291 L HN 0.619 nan 8.230 nan 0.000 0.448 292 E N 2.530 122.786 120.200 0.093 0.000 2.155 292 E HA 0.370 4.721 4.350 0.001 0.000 0.264 292 E C -0.709 175.936 176.600 0.076 0.000 0.886 292 E CA -0.461 55.991 56.400 0.085 0.000 0.752 292 E CB 2.716 32.457 29.700 0.068 0.000 1.133 292 E HN 0.419 nan 8.360 nan 0.000 0.414 293 I N 3.841 124.439 120.570 0.048 0.000 2.575 293 I HA -0.037 4.133 4.170 0.001 0.000 0.285 293 I C 0.777 176.854 176.117 -0.068 0.000 1.085 293 I CA -0.033 61.181 61.300 -0.144 0.000 1.403 293 I CB 0.880 38.785 38.000 -0.158 0.000 1.409 293 I HN 0.429 nan 8.210 nan 0.000 0.557 294 V N 6.929 126.813 119.914 -0.050 0.000 2.284 294 V HA 0.053 4.173 4.120 0.001 0.000 0.236 294 V C 0.944 177.054 176.094 0.027 0.000 1.044 294 V CA 0.916 63.275 62.300 0.098 0.000 1.019 294 V CB -0.343 31.657 31.823 0.296 0.000 0.657 294 V HN 0.732 nan 8.190 nan 0.000 0.465 295 R N 0.482 120.998 120.500 0.027 0.000 2.532 295 R HA 0.375 4.716 4.340 0.001 0.000 0.297 295 R C -2.972 173.310 176.300 -0.030 0.000 0.984 295 R CA -2.005 53.985 56.100 -0.184 0.000 0.884 295 R CB 2.300 32.197 30.300 -0.671 0.000 1.182 295 R HN 0.177 nan 8.270 nan 0.000 0.442 296 P HA -0.061 nan 4.420 nan 0.000 0.265 296 P C -0.845 176.480 177.300 0.041 0.000 1.187 296 P CA 0.062 63.153 63.100 -0.016 0.000 0.766 296 P CB 0.389 32.067 31.700 -0.037 0.000 0.820 297 R N 1.894 122.445 120.500 0.085 0.000 2.566 297 R HA 0.023 4.363 4.340 0.001 0.000 0.273 297 R C -0.090 176.281 176.300 0.118 0.000 0.981 297 R CA 0.308 56.495 56.100 0.146 0.000 1.091 297 R CB 0.068 30.434 30.300 0.110 0.000 0.924 297 R HN 0.502 nan 8.270 nan 0.000 0.411 298 E N 2.683 122.977 120.200 0.156 0.000 2.260 298 E HA 0.137 4.488 4.350 0.001 0.000 0.266 298 E C -1.183 175.512 176.600 0.158 0.000 0.887 298 E CA -0.893 55.573 56.400 0.111 0.000 0.777 298 E CB 1.495 31.227 29.700 0.052 0.000 1.205 298 E HN 0.574 nan 8.360 nan 0.000 0.414 299 K N 2.705 123.196 120.400 0.151 0.000 2.491 299 K HA 0.055 4.376 4.320 0.001 0.000 0.279 299 K C 0.724 177.402 176.600 0.131 0.000 1.026 299 K CA 1.710 58.093 56.287 0.160 0.000 1.070 299 K CB 0.040 32.620 32.500 0.133 0.000 0.887 299 K HN 0.814 nan 8.250 nan 0.000 0.481 300 G N 2.110 110.994 108.800 0.140 0.000 2.213 300 G HA2 -0.230 3.731 3.960 0.001 0.000 0.236 300 G HA3 -0.230 3.731 3.960 0.001 0.000 0.236 300 G C -0.262 174.727 174.900 0.148 0.000 0.991 300 G CA -0.008 45.166 45.100 0.123 0.000 0.629 300 G HN 0.526 nan 8.290 nan 0.000 0.517 301 V N 3.185 123.210 119.914 0.185 0.000 2.350 301 V HA 0.588 4.709 4.120 0.001 0.000 0.276 301 V C 0.544 176.827 176.094 0.315 0.000 1.028 301 V CA -0.666 61.780 62.300 0.243 0.000 0.860 301 V CB 1.221 33.186 31.823 0.235 0.000 0.990 301 V HN 0.327 nan 8.190 nan 0.000 0.453 302 R N 4.279 124.950 120.500 0.286 0.000 2.604 302 R HA 0.697 5.038 4.340 0.001 0.000 0.287 302 R C -1.185 175.320 176.300 0.341 0.000 0.970 302 R CA -0.544 55.703 56.100 0.246 0.000 0.946 302 R CB 2.393 32.774 30.300 0.135 0.000 1.127 302 R HN 0.815 nan 8.270 nan 0.000 0.473 303 Y N -1.993 118.382 120.300 0.126 0.000 2.624 303 Y HA 0.505 5.055 4.550 0.001 0.000 0.334 303 Y C -1.652 174.271 175.900 0.038 0.000 1.155 303 Y CA -1.403 56.729 58.100 0.054 0.000 1.046 303 Y CB 1.662 40.238 38.460 0.194 0.000 1.316 303 Y HN 0.520 nan 8.280 nan 0.000 0.457 304 D N 0.839 121.309 120.400 0.116 0.000 2.619 304 D HA 0.684 5.324 4.640 0.001 0.000 0.241 304 D C -1.844 174.540 176.300 0.140 0.000 1.087 304 D CA -0.572 53.448 54.000 0.034 0.000 0.851 304 D CB 2.528 43.281 40.800 -0.079 0.000 1.474 304 D HN 0.623 nan 8.370 nan 0.000 0.478 305 V N 3.617 123.657 119.914 0.210 0.000 2.487 305 V HA 0.457 4.578 4.120 0.001 0.000 0.298 305 V C -0.725 175.502 176.094 0.220 0.000 1.028 305 V CA -0.733 61.696 62.300 0.215 0.000 0.860 305 V CB 1.551 33.533 31.823 0.265 0.000 0.991 305 V HN 0.537 nan 8.190 nan 0.000 0.427 306 Q N 4.504 124.387 119.800 0.137 0.000 2.327 306 Q HA 0.538 4.878 4.340 0.001 0.000 0.270 306 Q C -0.765 175.331 176.000 0.162 0.000 1.022 306 Q CA -0.735 55.158 55.803 0.150 0.000 0.773 306 Q CB 2.157 30.931 28.738 0.060 0.000 1.251 306 Q HN 0.562 nan 8.270 nan 0.000 0.457 307 M N 1.724 121.433 119.600 0.181 0.000 2.228 307 M HA 0.125 4.606 4.480 0.001 0.000 0.351 307 M C 0.257 176.730 176.300 0.288 0.000 1.233 307 M CA 0.203 55.613 55.300 0.184 0.000 1.129 307 M CB -0.066 32.599 32.600 0.108 0.000 1.604 307 M HN 0.468 nan 8.290 nan 0.000 0.457 308 H N 2.309 121.502 119.070 0.205 0.000 2.724 308 H HA 0.387 4.944 4.556 0.001 0.000 0.278 308 H C 0.892 176.323 175.328 0.172 0.000 1.159 308 H CA 0.394 56.609 56.048 0.278 0.000 1.254 308 H CB 0.360 30.344 29.762 0.371 0.000 1.412 308 H HN 0.945 nan 8.280 nan 0.000 0.488 309 G N 3.165 112.024 108.800 0.099 0.000 2.566 309 G HA2 -0.423 3.538 3.960 0.001 0.000 0.280 309 G HA3 -0.423 3.538 3.960 0.001 0.000 0.280 309 G C 1.073 175.932 174.900 -0.069 0.000 1.225 309 G CA 0.706 45.750 45.100 -0.092 0.000 0.966 309 G HN 0.691 nan 8.290 nan 0.000 0.560 310 T N -2.825 111.681 114.554 -0.081 0.000 3.022 310 T HA 0.374 4.725 4.350 0.001 0.000 0.250 310 T C 2.331 177.017 174.700 -0.023 0.000 1.060 310 T CA 1.503 63.578 62.100 -0.043 0.000 1.013 310 T CB 0.011 68.849 68.868 -0.050 0.000 0.982 310 T HN 1.671 nan 8.240 nan 0.000 0.508 311 S N -0.001 115.655 115.700 -0.074 0.000 2.478 311 S HA 0.204 4.675 4.470 0.001 0.000 0.222 311 S C 0.441 175.083 174.600 0.071 0.000 1.008 311 S CA -0.374 57.773 58.200 -0.087 0.000 0.928 311 S CB -0.503 62.528 63.200 -0.282 0.000 0.781 311 S HN 0.759 nan 8.310 nan 0.000 0.518 312 H N -0.451 118.656 119.070 0.062 0.000 2.806 312 H HA 0.570 5.126 4.556 0.001 0.000 0.367 312 H C -1.792 173.614 175.328 0.131 0.000 1.136 312 H CA -1.189 54.921 56.048 0.104 0.000 1.178 312 H CB 1.515 31.372 29.762 0.159 0.000 1.718 312 H HN 0.048 nan 8.280 nan 0.000 0.540 313 L N 3.082 124.436 121.223 0.218 0.000 2.272 313 L HA 0.249 4.589 4.340 0.001 0.000 0.289 313 L C -0.462 176.457 176.870 0.081 0.000 1.032 313 L CA -0.526 54.400 54.840 0.144 0.000 0.810 313 L CB 1.447 43.574 42.059 0.113 0.000 1.205 313 L HN 0.367 nan 8.230 nan 0.000 0.422 314 V N 5.368 125.329 119.914 0.079 0.000 2.385 314 V HA 0.393 4.514 4.120 0.001 0.000 0.269 314 V C 0.242 176.288 176.094 -0.079 0.000 1.043 314 V CA -0.237 62.048 62.300 -0.025 0.000 0.906 314 V CB 0.969 32.755 31.823 -0.061 0.000 0.995 314 V HN 0.504 nan 8.190 nan 0.000 0.467 315 I N 5.920 126.379 120.570 -0.186 0.000 2.389 315 I HA 0.387 4.557 4.170 0.001 0.000 0.288 315 I C -0.693 175.263 176.117 -0.268 0.000 0.999 315 I CA -0.685 60.458 61.300 -0.261 0.000 1.129 315 I CB 1.901 39.549 38.000 -0.586 0.000 1.288 315 I HN 0.424 nan 8.210 nan 0.000 0.444 316 L N 6.900 128.015 121.223 -0.180 0.000 2.282 316 L HA 0.684 5.025 4.340 0.001 0.000 0.288 316 L C -0.248 176.507 176.870 -0.190 0.000 1.033 316 L CA 0.551 55.287 54.840 -0.173 0.000 0.807 316 L CB 1.519 43.489 42.059 -0.147 0.000 1.209 316 L HN 0.664 nan 8.230 nan 0.000 0.423 317 T N 2.425 116.864 114.554 -0.192 0.000 2.853 317 T HA 0.336 4.687 4.350 0.001 0.000 0.311 317 T C 0.091 174.776 174.700 -0.025 0.000 1.307 317 T CA -0.368 61.667 62.100 -0.107 0.000 1.019 317 T CB 1.061 69.876 68.868 -0.088 0.000 1.264 317 T HN 0.744 nan 8.240 nan 0.000 0.497 318 N N 1.616 120.366 118.700 0.083 0.000 2.230 318 N HA 0.060 4.801 4.740 0.001 0.000 0.202 318 N C 0.267 175.867 175.510 0.150 0.000 1.119 318 N CA -0.318 52.857 53.050 0.208 0.000 0.851 318 N CB 0.114 38.766 38.487 0.275 0.000 0.990 318 N HN 0.633 nan 8.380 nan 0.000 0.497 319 E N 1.363 121.678 120.200 0.191 0.000 2.481 319 E HA 0.112 4.462 4.350 0.001 0.000 0.263 319 E C 0.505 177.177 176.600 0.119 0.000 0.992 319 E CA 1.157 57.679 56.400 0.202 0.000 0.938 319 E CB 0.123 30.043 29.700 0.366 0.000 0.933 319 E HN 0.496 nan 8.360 nan 0.000 0.453 320 G N 2.967 111.819 108.800 0.086 0.000 2.295 320 G HA2 -0.207 3.754 3.960 0.001 0.000 0.287 320 G HA3 -0.207 3.754 3.960 0.001 0.000 0.287 320 G C 0.858 175.755 174.900 -0.004 0.000 1.055 320 G CA 0.691 45.823 45.100 0.053 0.000 0.922 320 G HN 1.361 nan 8.290 nan 0.000 0.503 321 G N -1.843 106.939 108.800 -0.030 0.000 2.148 321 G HA2 0.148 4.109 3.960 0.001 0.000 0.254 321 G HA3 0.148 4.109 3.960 0.001 0.000 0.254 321 G C 0.778 175.497 174.900 -0.301 0.000 0.981 321 G CA 1.125 46.162 45.100 -0.105 0.000 0.670 321 G HN 2.338 nan 8.290 nan 0.000 0.528 322 A N 0.430 123.083 122.820 -0.278 0.000 2.990 322 A HA 0.670 4.991 4.320 0.001 0.000 0.282 322 A C 1.665 179.200 177.584 -0.082 0.000 1.688 322 A CA 0.637 52.441 52.037 -0.388 0.000 1.391 322 A CB 0.066 19.013 19.000 -0.088 0.000 1.112 322 A HN 0.942 nan 8.150 nan 0.000 0.588 323 V N 1.525 121.364 119.914 -0.125 0.000 2.343 323 V HA -0.202 3.919 4.120 0.001 0.000 0.247 323 V C 1.961 177.987 176.094 -0.114 0.000 1.051 323 V CA 2.193 64.456 62.300 -0.061 0.000 1.036 323 V CB -0.506 31.268 31.823 -0.082 0.000 0.654 323 V HN 0.776 nan 8.190 nan 0.000 0.451 324 N N -1.610 117.046 118.700 -0.073 0.000 2.398 324 N HA 0.100 4.841 4.740 0.001 0.000 0.188 324 N C -0.115 175.465 175.510 0.117 0.000 1.122 324 N CA 0.175 53.197 53.050 -0.048 0.000 0.866 324 N CB -0.122 38.399 38.487 0.057 0.000 0.970 324 N HN 0.747 nan 8.380 nan 0.000 0.462 325 H N -1.639 117.528 119.070 0.162 0.000 4.815 325 H HA -0.133 4.424 4.556 0.001 0.000 0.328 325 H C -0.531 174.843 175.328 0.075 0.000 0.747 325 H CA 0.119 56.237 56.048 0.116 0.000 1.030 325 H CB -0.238 29.607 29.762 0.138 0.000 1.412 325 H HN 0.177 nan 8.280 nan 0.000 0.354 326 K N 1.846 122.341 120.400 0.159 0.000 2.395 326 K HA 0.817 5.137 4.320 0.001 0.000 0.245 326 K C -1.363 175.215 176.600 -0.036 0.000 1.017 326 K CA -1.061 55.268 56.287 0.069 0.000 0.852 326 K CB 2.462 35.023 32.500 0.102 0.000 1.311 326 K HN 0.321 nan 8.250 nan 0.000 0.452 327 L N 2.376 123.552 121.223 -0.079 0.000 2.333 327 L HA 0.496 4.836 4.340 0.001 0.000 0.280 327 L C -1.020 175.764 176.870 -0.144 0.000 1.004 327 L CA -0.908 53.849 54.840 -0.138 0.000 0.820 327 L CB 1.427 43.393 42.059 -0.154 0.000 1.247 327 L HN 0.520 nan 8.230 nan 0.000 0.416 328 L N 4.213 125.310 121.223 -0.209 0.000 2.301 328 L HA 0.633 4.973 4.340 0.001 0.000 0.264 328 L C -0.694 176.069 176.870 -0.178 0.000 1.016 328 L CA -0.825 53.893 54.840 -0.204 0.000 0.821 328 L CB 2.668 44.504 42.059 -0.372 0.000 1.346 328 L HN 0.440 nan 8.230 nan 0.000 0.429 329 I N 1.352 121.861 120.570 -0.101 0.000 2.410 329 I HA 0.558 4.729 4.170 0.001 0.000 0.286 329 I C -0.285 175.784 176.117 -0.080 0.000 1.009 329 I CA -0.421 60.823 61.300 -0.093 0.000 1.111 329 I CB 1.934 39.879 38.000 -0.091 0.000 1.262 329 I HN 0.632 nan 8.210 nan 0.000 0.443 330 A N 8.787 131.575 122.820 -0.054 0.000 2.340 330 A HA 0.888 5.208 4.320 0.001 0.000 0.331 330 A C -2.666 174.947 177.584 0.048 0.000 1.140 330 A CA -1.712 50.354 52.037 0.048 0.000 0.801 330 A CB 1.089 20.169 19.000 0.134 0.000 1.234 330 A HN 0.387 nan 8.150 nan 0.000 0.469 331 P HA 0.189 nan 4.420 nan 0.000 0.279 331 P C 0.310 177.696 177.300 0.143 0.000 1.239 331 P CA -0.316 62.865 63.100 0.135 0.000 0.789 331 P CB 1.166 32.923 31.700 0.096 0.000 0.933 332 R N 3.648 124.238 120.500 0.150 0.000 2.117 332 R HA -0.117 4.224 4.340 0.001 0.000 0.243 332 R C 2.180 178.532 176.300 0.086 0.000 1.143 332 R CA 2.449 58.614 56.100 0.108 0.000 0.968 332 R CB -1.687 28.660 30.300 0.080 0.000 0.863 332 R HN 0.665 nan 8.270 nan 0.000 0.444 333 G N -1.429 107.419 108.800 0.081 0.000 2.572 333 G HA2 -0.155 3.806 3.960 0.001 0.000 0.216 333 G HA3 -0.155 3.806 3.960 0.001 0.000 0.216 333 G C 0.437 175.375 174.900 0.064 0.000 1.133 333 G CA 0.366 45.504 45.100 0.063 0.000 0.791 333 G HN 0.437 nan 8.290 nan 0.000 0.538 334 Q N -0.146 119.703 119.800 0.081 0.000 3.662 334 Q HA 0.209 4.550 4.340 0.001 0.000 0.237 334 Q C -2.167 173.897 176.000 0.107 0.000 0.895 334 Q CA -1.245 54.603 55.803 0.076 0.000 0.767 334 Q CB 1.924 30.706 28.738 0.074 0.000 1.469 334 Q HN 0.101 nan 8.270 nan 0.000 0.424 335 P HA -0.067 nan 4.420 nan 0.000 0.237 335 P C 0.778 178.223 177.300 0.242 0.000 1.178 335 P CA 0.743 63.945 63.100 0.170 0.000 0.766 335 P CB 0.329 32.116 31.700 0.145 0.000 0.876 336 S N -1.730 114.011 115.700 0.069 0.000 2.575 336 S HA 0.021 4.492 4.470 0.001 0.000 0.215 336 S C 0.663 175.205 174.600 -0.097 0.000 0.966 336 S CA -0.279 57.809 58.200 -0.187 0.000 0.911 336 S CB -0.878 62.152 63.200 -0.284 0.000 0.780 336 S HN -0.059 nan 8.310 nan 0.000 0.514 337 D N 1.016 121.513 120.400 0.160 0.000 2.374 337 D HA 0.137 4.778 4.640 0.001 0.000 0.240 337 D C -0.760 175.790 176.300 0.415 0.000 1.229 337 D CA -0.544 53.570 54.000 0.190 0.000 0.895 337 D CB -0.077 40.827 40.800 0.174 0.000 1.046 337 D HN 0.323 nan 8.370 nan 0.000 0.498 338 W N 2.450 123.729 121.300 -0.035 0.000 3.194 338 W HA 0.151 4.811 4.660 0.001 0.000 0.408 338 W C 1.876 178.354 176.519 -0.068 0.000 1.072 338 W CA -0.392 56.925 57.345 -0.046 0.000 1.953 338 W CB -0.731 28.682 29.460 -0.078 0.000 1.091 338 W HN 0.473 nan 8.180 nan 0.000 0.699 339 S N -1.187 114.549 115.700 0.060 0.000 2.496 339 S HA -0.060 4.411 4.470 0.001 0.000 0.224 339 S C 0.268 174.694 174.600 -0.289 0.000 0.996 339 S CA 0.572 58.678 58.200 -0.157 0.000 0.927 339 S CB -0.559 62.476 63.200 -0.275 0.000 0.774 339 S HN 0.286 nan 8.310 nan 0.000 0.524 340 H N 1.158 120.244 119.070 0.025 0.000 2.787 340 H HA 0.555 5.112 4.556 0.001 0.000 0.275 340 H C -0.869 174.439 175.328 -0.032 0.000 1.183 340 H CA -0.520 55.523 56.048 -0.009 0.000 1.290 340 H CB 0.843 30.586 29.762 -0.032 0.000 1.438 340 H HN 0.056 nan 8.280 nan 0.000 0.487 341 V N 4.519 124.457 119.914 0.039 0.000 2.461 341 V HA -0.036 4.084 4.120 0.001 0.000 0.275 341 V C 0.861 176.958 176.094 0.005 0.000 1.047 341 V CA -0.209 62.093 62.300 0.003 0.000 0.955 341 V CB 1.339 33.161 31.823 -0.002 0.000 0.988 341 V HN 0.646 nan 8.190 nan 0.000 0.471 342 L N 6.365 127.573 121.223 -0.025 0.000 2.221 342 L HA 0.355 4.695 4.340 0.001 0.000 0.202 342 L C 0.453 177.295 176.870 -0.047 0.000 1.074 342 L CA 1.538 56.362 54.840 -0.027 0.000 0.795 342 L CB 0.659 42.683 42.059 -0.058 0.000 0.960 342 L HN 0.456 nan 8.230 nan 0.000 0.458 343 V N 1.025 120.897 119.914 -0.070 0.000 2.567 343 V HA 0.332 4.453 4.120 0.001 0.000 0.298 343 V C -1.071 174.984 176.094 -0.065 0.000 1.047 343 V CA -1.246 61.004 62.300 -0.083 0.000 0.880 343 V CB 1.389 33.133 31.823 -0.132 0.000 1.009 343 V HN 0.031 nan 8.190 nan 0.000 0.429 344 D N 2.410 122.771 120.400 -0.065 0.000 2.400 344 D HA 0.146 4.786 4.640 0.001 0.000 0.238 344 D C 0.313 176.585 176.300 -0.047 0.000 1.157 344 D CA 0.225 54.183 54.000 -0.070 0.000 0.889 344 D CB 0.714 41.437 40.800 -0.129 0.000 1.199 344 D HN 0.871 nan 8.370 nan 0.000 0.436 345 H N -1.794 117.266 119.070 -0.016 0.000 2.790 345 H HA 0.382 4.939 4.556 0.002 0.000 0.358 345 H C -0.249 175.069 175.328 -0.016 0.000 1.103 345 H CA -0.615 55.430 56.048 -0.005 0.000 1.426 345 H CB 0.672 30.452 29.762 0.030 0.000 1.424 345 H HN 0.086 nan 8.280 nan 0.000 0.599 346 S N 1.482 117.231 115.700 0.083 0.000 2.568 346 S HA 0.183 4.654 4.470 0.001 0.000 0.293 346 S C 0.657 175.302 174.600 0.075 0.000 1.089 346 S CA -0.874 57.337 58.200 0.019 0.000 0.945 346 S CB 1.543 64.720 63.200 -0.039 0.000 1.077 346 S HN 0.781 nan 8.310 nan 0.000 0.485 347 E N 1.882 122.114 120.200 0.053 0.000 2.107 347 E HA -0.085 4.265 4.350 0.001 0.000 0.191 347 E C 1.281 177.905 176.600 0.040 0.000 0.982 347 E CA 1.412 57.842 56.400 0.051 0.000 0.809 347 E CB -0.143 29.579 29.700 0.037 0.000 0.756 347 E HN 0.869 nan 8.360 nan 0.000 0.459 348 D N -0.295 120.127 120.400 0.037 0.000 2.301 348 D HA -0.034 4.607 4.640 0.001 0.000 0.206 348 D C 0.497 176.847 176.300 0.084 0.000 0.979 348 D CA 0.142 54.173 54.000 0.051 0.000 0.874 348 D CB 0.224 41.054 40.800 0.050 0.000 0.968 348 D HN -0.125 nan 8.370 nan 0.000 0.510 349 V N 1.890 121.834 119.914 0.050 0.000 2.357 349 V HA 0.277 4.398 4.120 0.001 0.000 0.284 349 V C -1.016 175.115 176.094 0.062 0.000 1.018 349 V CA -0.970 61.337 62.300 0.013 0.000 0.841 349 V CB 1.324 32.997 31.823 -0.251 0.000 0.991 349 V HN 0.069 nan 8.190 nan 0.000 0.437 350 F N 6.916 126.838 119.950 -0.048 0.000 2.361 350 F HA 0.610 5.137 4.527 0.001 0.000 0.364 350 F C -0.054 175.716 175.800 -0.050 0.000 1.120 350 F CA -1.700 56.261 58.000 -0.067 0.000 1.102 350 F CB 1.214 40.199 39.000 -0.026 0.000 1.183 350 F HN 0.399 nan 8.300 nan 0.000 0.476 351 M N 6.630 126.145 119.600 -0.141 0.000 2.077 351 M HA 0.205 4.685 4.480 0.001 0.000 0.348 351 M C 0.796 176.891 176.300 -0.341 0.000 1.252 351 M CA 0.220 55.370 55.300 -0.250 0.000 1.096 351 M CB 1.065 33.581 32.600 -0.139 0.000 1.568 351 M HN 0.661 nan 8.290 nan 0.000 0.456 352 E N 0.820 120.725 120.200 -0.492 0.000 2.162 352 E HA 0.090 4.440 4.350 0.001 0.000 0.193 352 E C 0.155 176.661 176.600 -0.156 0.000 0.953 352 E CA 0.269 56.387 56.400 -0.470 0.000 0.849 352 E CB 0.802 30.174 29.700 -0.546 0.000 0.810 352 E HN 0.566 nan 8.360 nan 0.000 0.470 353 S N 0.199 115.820 115.700 -0.133 0.000 2.536 353 S HA 0.515 4.986 4.470 0.001 0.000 0.271 353 S C -1.454 173.087 174.600 -0.099 0.000 1.134 353 S CA -0.860 57.275 58.200 -0.108 0.000 0.897 353 S CB 0.988 64.129 63.200 -0.099 0.000 1.094 353 S HN 0.277 nan 8.310 nan 0.000 0.473 354 I N 1.591 122.094 120.570 -0.113 0.000 2.498 354 I HA 0.950 5.121 4.170 0.001 0.000 0.290 354 I C -0.499 175.552 176.117 -0.110 0.000 1.032 354 I CA -1.072 60.157 61.300 -0.118 0.000 1.073 354 I CB 1.816 39.734 38.000 -0.138 0.000 1.251 354 I HN 0.642 nan 8.210 nan 0.000 0.426 355 A N 5.990 128.745 122.820 -0.107 0.000 2.304 355 A HA 0.768 5.088 4.320 0.001 0.000 0.314 355 A C -0.673 176.842 177.584 -0.114 0.000 1.187 355 A CA -0.614 51.376 52.037 -0.079 0.000 0.810 355 A CB 1.427 20.400 19.000 -0.044 0.000 1.183 355 A HN 0.588 nan 8.150 nan 0.000 0.487 356 V N 4.384 124.260 119.914 -0.063 0.000 2.398 356 V HA 0.551 4.672 4.120 0.001 0.000 0.286 356 V C 0.076 176.162 176.094 -0.013 0.000 1.026 356 V CA -0.642 61.618 62.300 -0.067 0.000 0.868 356 V CB 1.176 33.023 31.823 0.041 0.000 0.982 356 V HN 0.984 nan 8.190 nan 0.000 0.443 357 R N 1.995 122.313 120.500 -0.303 0.000 3.029 357 R HA 0.481 4.822 4.340 0.001 0.000 0.239 357 R C 1.603 177.512 176.300 -0.652 0.000 1.351 357 R CA -0.043 55.714 56.100 -0.572 0.000 1.052 357 R CB 0.981 30.764 30.300 -0.861 0.000 1.354 357 R HN 0.723 nan 8.270 nan 0.000 0.499 358 S N 0.987 116.026 115.700 -1.101 0.000 2.359 358 S HA -0.207 4.264 4.470 0.001 0.000 0.223 358 S C 1.063 175.628 174.600 -0.059 0.000 1.039 358 S CA 1.847 59.659 58.200 -0.647 0.000 1.042 358 S CB -0.313 62.619 63.200 -0.447 0.000 0.915 358 S HN 0.745 nan 8.310 nan 0.000 0.439 359 N N 0.317 118.985 118.700 -0.055 0.000 2.238 359 N HA 0.180 4.921 4.740 0.001 0.000 0.235 359 N C -0.342 175.308 175.510 0.232 0.000 1.209 359 N CA -0.626 52.460 53.050 0.059 0.000 0.879 359 N CB -0.045 38.494 38.487 0.086 0.000 1.136 359 N HN 0.774 nan 8.380 nan 0.000 0.517 360 Y N -1.152 119.256 120.300 0.181 0.000 2.689 360 Y HA 0.699 5.250 4.550 0.001 0.000 0.333 360 Y C -1.865 174.209 175.900 0.290 0.000 1.208 360 Y CA -1.770 56.520 58.100 0.318 0.000 1.055 360 Y CB 0.500 39.071 38.460 0.185 0.000 1.304 360 Y HN -0.091 nan 8.280 nan 0.000 0.455 361 L N 0.206 121.533 121.223 0.173 0.000 2.350 361 L HA 1.005 5.346 4.340 0.001 0.000 0.260 361 L C -1.577 175.298 176.870 0.008 0.000 1.015 361 L CA -1.410 53.327 54.840 -0.172 0.000 0.821 361 L CB 1.894 43.589 42.059 -0.607 0.000 1.370 361 L HN 0.548 nan 8.230 nan 0.000 0.416 362 V N 1.398 121.252 119.914 -0.099 0.000 2.656 362 V HA 0.735 4.856 4.120 0.001 0.000 0.307 362 V C -0.567 175.444 176.094 -0.138 0.000 1.051 362 V CA -0.605 61.583 62.300 -0.187 0.000 0.893 362 V CB 2.076 33.639 31.823 -0.432 0.000 0.999 362 V HN 0.657 nan 8.190 nan 0.000 0.426 363 V N 3.223 123.106 119.914 -0.051 0.000 2.448 363 V HA 0.792 4.912 4.120 0.001 0.000 0.295 363 V C 0.306 176.479 176.094 0.133 0.000 1.025 363 V CA -0.571 61.744 62.300 0.026 0.000 0.859 363 V CB 1.755 33.600 31.823 0.038 0.000 0.988 363 V HN 1.016 nan 8.190 nan 0.000 0.431 364 A N 3.443 126.296 122.820 0.054 0.000 2.301 364 A HA 0.983 5.304 4.320 0.001 0.000 0.312 364 A C 0.483 178.122 177.584 0.090 0.000 1.182 364 A CA 0.421 52.497 52.037 0.064 0.000 0.826 364 A CB 1.161 20.162 19.000 0.001 0.000 1.134 364 A HN 1.326 nan 8.150 nan 0.000 0.501 365 G N 1.273 110.194 108.800 0.202 0.000 2.529 365 G HA2 0.595 4.556 3.960 0.001 0.000 0.238 365 G HA3 0.595 4.556 3.960 0.001 0.000 0.238 365 G C -1.228 173.792 174.900 0.199 0.000 1.207 365 G CA -0.762 44.397 45.100 0.098 0.000 0.928 365 G HN 0.778 nan 8.290 nan 0.000 0.495 366 R N -0.618 120.074 120.500 0.320 0.000 2.668 366 R HA 0.758 5.099 4.340 0.001 0.000 0.272 366 R C -1.033 175.490 176.300 0.371 0.000 1.019 366 R CA -0.880 55.376 56.100 0.260 0.000 0.894 366 R CB 2.903 33.343 30.300 0.234 0.000 1.228 366 R HN 0.609 nan 8.270 nan 0.000 0.460 367 R N 0.742 121.379 120.500 0.228 0.000 2.536 367 R HA 0.421 4.762 4.340 0.001 0.000 0.269 367 R C -1.030 175.317 176.300 0.078 0.000 1.113 367 R CA 0.365 56.597 56.100 0.220 0.000 0.948 367 R CB 1.928 32.447 30.300 0.364 0.000 1.237 367 R HN 0.862 nan 8.270 nan 0.000 0.441 368 A N 2.279 125.123 122.820 0.040 0.000 2.822 368 A HA -0.150 4.170 4.320 0.001 0.000 0.287 368 A C 1.033 178.575 177.584 -0.069 0.000 1.479 368 A CA 1.842 53.873 52.037 -0.010 0.000 0.779 368 A CB -2.162 16.849 19.000 0.018 0.000 1.022 368 A HN 2.092 nan 8.150 nan 0.000 0.532 369 G N -3.225 105.510 108.800 -0.110 0.000 2.195 369 G HA2 -0.162 3.799 3.960 0.001 0.000 0.246 369 G HA3 -0.162 3.799 3.960 0.001 0.000 0.246 369 G C 0.062 174.817 174.900 -0.241 0.000 0.984 369 G CA 0.501 45.480 45.100 -0.201 0.000 0.633 369 G HN 1.500 nan 8.290 nan 0.000 0.525 370 L N 1.364 122.458 121.223 -0.215 0.000 2.370 370 L HA 0.600 4.941 4.340 0.001 0.000 0.266 370 L C 1.094 177.822 176.870 -0.236 0.000 1.002 370 L CA -0.658 53.971 54.840 -0.351 0.000 0.818 370 L CB 2.040 43.763 42.059 -0.561 0.000 1.325 370 L HN 0.295 nan 8.230 nan 0.000 0.418 371 T N -0.028 114.365 114.554 -0.268 0.000 2.946 371 T HA 0.313 4.664 4.350 0.001 0.000 0.311 371 T C -0.058 174.586 174.700 -0.094 0.000 1.063 371 T CA -0.547 61.467 62.100 -0.144 0.000 1.139 371 T CB 0.543 69.315 68.868 -0.161 0.000 0.994 371 T HN 0.441 nan 8.240 nan 0.000 0.547 372 R N 1.670 122.063 120.500 -0.178 0.000 2.836 372 R HA 0.639 4.980 4.340 0.001 0.000 0.269 372 R C -0.773 175.213 176.300 -0.524 0.000 1.010 372 R CA -0.976 54.856 56.100 -0.447 0.000 0.930 372 R CB 1.707 31.384 30.300 -1.038 0.000 1.218 372 R HN 0.714 nan 8.270 nan 0.000 0.473 373 I N 0.822 121.037 120.570 -0.592 0.000 2.498 373 I HA 0.448 4.618 4.170 0.001 0.000 0.290 373 I C -0.534 175.292 176.117 -0.486 0.000 1.032 373 I CA -0.635 60.442 61.300 -0.371 0.000 1.073 373 I CB 2.017 39.909 38.000 -0.180 0.000 1.251 373 I HN 0.175 nan 8.210 nan 0.000 0.426 374 W N 3.880 125.112 121.300 -0.113 0.000 2.706 374 W HA 0.534 5.194 4.660 0.001 0.000 0.346 374 W C -0.147 176.310 176.519 -0.104 0.000 1.071 374 W CA -0.544 56.761 57.345 -0.066 0.000 1.206 374 W CB 2.520 31.954 29.460 -0.043 0.000 1.413 374 W HN 0.383 nan 8.180 nan 0.000 0.542 375 T N 0.118 114.814 114.554 0.238 0.000 2.924 375 T HA 0.781 5.132 4.350 0.001 0.000 0.291 375 T C -0.762 174.051 174.700 0.188 0.000 1.045 375 T CA -0.948 61.250 62.100 0.164 0.000 1.015 375 T CB 2.720 71.738 68.868 0.250 0.000 1.103 375 T HN 0.430 nan 8.240 nan 0.000 0.496 376 M N 3.151 122.846 119.600 0.159 0.000 2.224 376 M HA 0.425 4.905 4.480 0.001 0.000 0.281 376 M C -1.499 174.978 176.300 0.295 0.000 1.025 376 M CA -0.940 54.460 55.300 0.167 0.000 0.954 376 M CB 1.940 34.575 32.600 0.059 0.000 1.639 376 M HN 0.585 nan 8.290 nan 0.000 0.461 377 M N 3.130 122.889 119.600 0.264 0.000 2.238 377 M HA 0.388 4.869 4.480 0.001 0.000 0.347 377 M C 0.509 176.993 176.300 0.306 0.000 1.173 377 M CA -0.007 55.466 55.300 0.288 0.000 1.147 377 M CB 0.493 33.191 32.600 0.163 0.000 1.547 377 M HN 0.805 nan 8.290 nan 0.000 0.455 378 A N 2.009 124.931 122.820 0.169 0.000 2.406 378 A HA 0.098 4.419 4.320 0.001 0.000 0.243 378 A C 0.198 177.770 177.584 -0.019 0.000 1.082 378 A CA -0.374 51.568 52.037 -0.158 0.000 0.786 378 A CB 0.042 18.750 19.000 -0.485 0.000 1.029 378 A HN 0.797 nan 8.150 nan 0.000 0.495 379 D N 0.841 121.225 120.400 -0.027 0.000 2.450 379 D HA 0.030 4.671 4.640 0.001 0.000 0.247 379 D C 1.560 177.857 176.300 -0.005 0.000 1.162 379 D CA 0.923 54.927 54.000 0.006 0.000 0.879 379 D CB 0.873 41.681 40.800 0.013 0.000 1.163 379 D HN 0.511 nan 8.370 nan 0.000 0.472 380 S N 3.335 119.041 115.700 0.010 0.000 2.481 380 S HA -0.156 4.314 4.470 0.001 0.000 0.231 380 S C 1.329 175.930 174.600 0.003 0.000 0.996 380 S CA 0.540 58.745 58.200 0.008 0.000 0.942 380 S CB 0.036 63.246 63.200 0.016 0.000 0.768 380 S HN 0.485 nan 8.310 nan 0.000 0.520 381 Q N 1.517 121.319 119.800 0.003 0.000 2.269 381 Q HA 0.038 4.378 4.340 0.001 0.000 0.201 381 Q C 0.777 176.774 176.000 -0.005 0.000 0.946 381 Q CA 1.574 57.378 55.803 0.002 0.000 0.877 381 Q CB -0.201 28.541 28.738 0.006 0.000 0.963 381 Q HN 0.969 nan 8.270 nan 0.000 0.472 382 D N -3.133 117.260 120.400 -0.010 0.000 2.516 382 D HA 0.171 4.812 4.640 0.001 0.000 0.241 382 D C 0.960 177.237 176.300 -0.039 0.000 1.246 382 D CA 0.557 54.545 54.000 -0.019 0.000 0.808 382 D CB 0.026 40.822 40.800 -0.007 0.000 1.147 382 D HN 0.143 nan 8.370 nan 0.000 0.527 383 G N 0.144 108.915 108.800 -0.048 0.000 2.148 383 G HA2 -0.224 3.737 3.960 0.001 0.000 0.254 383 G HA3 -0.224 3.737 3.960 0.001 0.000 0.254 383 G C 0.012 174.846 174.900 -0.111 0.000 0.981 383 G CA 0.428 45.479 45.100 -0.081 0.000 0.670 383 G HN 0.437 nan 8.290 nan 0.000 0.528 384 V N 0.846 120.710 119.914 -0.082 0.000 2.532 384 V HA 0.684 4.804 4.120 0.001 0.000 0.295 384 V C 0.484 176.515 176.094 -0.105 0.000 1.041 384 V CA -0.977 61.305 62.300 -0.029 0.000 0.926 384 V CB 1.273 33.145 31.823 0.082 0.000 0.992 384 V HN 0.181 nan 8.190 nan 0.000 0.457 385 F N 4.180 124.219 119.950 0.149 0.000 2.456 385 F HA 0.419 4.946 4.527 0.001 0.000 0.358 385 F C 0.720 176.544 175.800 0.041 0.000 1.095 385 F CA -0.213 57.818 58.000 0.051 0.000 1.216 385 F CB 0.524 39.516 39.000 -0.014 0.000 1.125 385 F HN 0.233 nan 8.300 nan 0.000 0.549 386 K N 2.248 122.778 120.400 0.216 0.000 2.324 386 K HA 0.538 4.859 4.320 0.001 0.000 0.253 386 K C 0.468 177.128 176.600 0.100 0.000 0.932 386 K CA -0.581 55.781 56.287 0.124 0.000 0.799 386 K CB 1.880 34.433 32.500 0.088 0.000 1.154 386 K HN 0.584 nan 8.250 nan 0.000 0.425 387 A N 2.264 125.126 122.820 0.069 0.000 2.019 387 A HA -0.083 4.238 4.320 0.001 0.000 0.219 387 A C 1.829 179.433 177.584 0.034 0.000 1.164 387 A CA 2.084 54.145 52.037 0.041 0.000 0.644 387 A CB -0.618 18.400 19.000 0.031 0.000 0.805 387 A HN 0.817 nan 8.150 nan 0.000 0.449 388 G N -1.222 107.603 108.800 0.041 0.000 2.484 388 G HA2 -0.040 3.921 3.960 0.001 0.000 0.218 388 G HA3 -0.040 3.921 3.960 0.001 0.000 0.218 388 G C 1.442 176.364 174.900 0.037 0.000 1.130 388 G CA 1.432 46.552 45.100 0.033 0.000 0.784 388 G HN 0.441 nan 8.290 nan 0.000 0.543 389 T N 0.592 115.178 114.554 0.053 0.000 2.708 389 T HA 0.283 4.633 4.350 0.001 0.000 0.266 389 T C 1.500 176.231 174.700 0.051 0.000 1.037 389 T CA 1.211 63.347 62.100 0.062 0.000 1.146 389 T CB -0.647 68.280 68.868 0.098 0.000 0.865 389 T HN 1.247 nan 8.240 nan 0.000 0.435 390 G N 0.791 109.614 108.800 0.039 0.000 2.755 390 G HA2 -0.149 3.812 3.960 0.001 0.000 0.686 390 G HA3 -0.149 3.812 3.960 0.001 0.000 0.686 390 G C -0.675 174.248 174.900 0.039 0.000 1.427 390 G CA -0.893 44.219 45.100 0.020 0.000 0.873 390 G HN 0.527 nan 8.290 nan 0.000 0.580 391 L N 1.348 122.583 121.223 0.020 0.000 2.397 391 L HA 0.503 4.844 4.340 0.001 0.000 0.271 391 L C 0.901 177.911 176.870 0.233 0.000 1.148 391 L CA -0.605 54.292 54.840 0.095 0.000 0.825 391 L CB 0.737 42.768 42.059 -0.047 0.000 1.117 391 L HN 0.467 nan 8.230 nan 0.000 0.456 392 R N 2.709 123.394 120.500 0.308 0.000 2.310 392 R HA 0.273 4.613 4.340 0.001 0.000 0.324 392 R C -0.554 175.991 176.300 0.408 0.000 0.955 392 R CA -0.584 55.699 56.100 0.305 0.000 0.830 392 R CB 1.553 31.954 30.300 0.169 0.000 1.154 392 R HN 0.587 nan 8.270 nan 0.000 0.458 393 E N 2.162 122.545 120.200 0.304 0.000 2.354 393 E HA 0.118 4.468 4.350 0.001 0.000 0.269 393 E C -0.514 176.061 176.600 -0.042 0.000 1.036 393 E CA -0.477 55.856 56.400 -0.111 0.000 0.876 393 E CB 1.097 30.710 29.700 -0.146 0.000 1.009 393 E HN 0.164 nan 8.360 nan 0.000 0.416 394 V N 5.568 125.286 119.914 -0.327 0.000 2.397 394 V HA 0.029 4.150 4.120 0.001 0.000 0.262 394 V C 0.039 175.980 176.094 -0.255 0.000 1.047 394 V CA -0.308 61.761 62.300 -0.384 0.000 1.003 394 V CB 0.724 32.252 31.823 -0.491 0.000 1.037 394 V HN 0.457 nan 8.190 nan 0.000 0.480 395 V N 7.359 127.192 119.914 -0.135 0.000 2.530 395 V HA 0.293 4.414 4.120 0.001 0.000 0.282 395 V C 0.472 176.436 176.094 -0.218 0.000 1.048 395 V CA -0.281 61.941 62.300 -0.130 0.000 0.997 395 V CB 1.228 33.017 31.823 -0.057 0.000 0.987 395 V HN 0.697 nan 8.190 nan 0.000 0.477 396 M N 3.669 123.124 119.600 -0.243 0.000 2.528 396 M HA 0.448 4.929 4.480 0.001 0.000 0.318 396 M C 0.987 177.160 176.300 -0.212 0.000 1.195 396 M CA -0.293 54.787 55.300 -0.368 0.000 1.000 396 M CB 1.296 33.449 32.600 -0.745 0.000 1.615 396 M HN 0.681 nan 8.290 nan 0.000 0.469 397 E N 0.107 120.169 120.200 -0.231 0.000 2.251 397 E HA 0.085 4.436 4.350 0.001 0.000 0.194 397 E C -0.332 176.256 176.600 -0.020 0.000 0.964 397 E CA 0.245 56.580 56.400 -0.108 0.000 0.868 397 E CB 0.423 30.046 29.700 -0.129 0.000 0.828 397 E HN 0.615 nan 8.360 nan 0.000 0.481 398 E N 2.312 122.516 120.200 0.006 0.000 2.313 398 E HA 0.073 4.424 4.350 0.001 0.000 0.272 398 E C -1.720 175.047 176.600 0.279 0.000 1.038 398 E CA -1.712 54.781 56.400 0.155 0.000 0.863 398 E CB 1.033 30.887 29.700 0.255 0.000 1.060 398 E HN -0.006 nan 8.360 nan 0.000 0.402 399 P HA 0.056 nan 4.420 nan 0.000 0.227 399 P C 0.198 177.574 177.300 0.128 0.000 1.161 399 P CA 0.960 64.157 63.100 0.163 0.000 0.788 399 P CB 0.543 32.301 31.700 0.097 0.000 0.822 400 I N 0.256 120.923 120.570 0.162 0.000 2.512 400 I HA 0.405 4.576 4.170 0.001 0.000 0.287 400 I C -0.655 175.523 176.117 0.101 0.000 1.069 400 I CA -1.064 60.238 61.300 0.003 0.000 1.056 400 I CB 1.695 39.692 38.000 -0.004 0.000 1.229 400 I HN -0.163 nan 8.210 nan 0.000 0.429 401 F N 2.265 122.148 119.950 -0.111 0.000 2.900 401 F HA 0.723 5.250 4.527 0.001 0.000 0.321 401 F C -1.491 174.134 175.800 -0.292 0.000 1.160 401 F CA -0.749 57.095 58.000 -0.260 0.000 0.890 401 F CB 1.448 40.263 39.000 -0.308 0.000 1.334 401 F HN 0.138 nan 8.300 nan 0.000 0.459 402 T N 1.716 116.139 114.554 -0.219 0.000 2.921 402 T HA 0.672 5.022 4.350 0.001 0.000 0.297 402 T C -1.340 173.205 174.700 -0.258 0.000 1.013 402 T CA -0.629 61.299 62.100 -0.287 0.000 0.990 402 T CB 1.854 70.544 68.868 -0.297 0.000 1.023 402 T HN 0.648 nan 8.240 nan 0.000 0.447 403 V N 3.139 122.949 119.914 -0.174 0.000 2.815 403 V HA 0.594 4.715 4.120 0.001 0.000 0.314 403 V C -0.850 174.994 176.094 -0.417 0.000 1.064 403 V CA -0.824 61.381 62.300 -0.158 0.000 0.952 403 V CB 1.931 33.808 31.823 0.090 0.000 1.020 403 V HN 0.930 nan 8.190 nan 0.000 0.439 404 H N 2.035 121.118 119.070 0.022 0.000 2.768 404 H HA 0.595 5.152 4.556 0.001 0.000 0.371 404 H C -0.962 174.398 175.328 0.053 0.000 1.151 404 H CA -0.759 55.297 56.048 0.013 0.000 1.165 404 H CB 2.002 31.754 29.762 -0.016 0.000 1.722 404 H HN 0.521 nan 8.280 nan 0.000 0.543 405 L N 2.947 124.276 121.223 0.178 0.000 2.290 405 L HA 0.306 4.647 4.340 0.001 0.000 0.284 405 L C -0.815 176.142 176.870 0.146 0.000 1.078 405 L CA -0.346 54.588 54.840 0.156 0.000 0.815 405 L CB 0.821 42.919 42.059 0.066 0.000 1.162 405 L HN 0.531 nan 8.230 nan 0.000 0.435 406 V N 5.978 126.000 119.914 0.180 0.000 2.154 406 V HA 0.205 4.325 4.120 0.001 0.000 0.265 406 V C 1.066 177.209 176.094 0.081 0.000 1.293 406 V CA -0.251 62.136 62.300 0.146 0.000 1.205 406 V CB -0.240 31.728 31.823 0.242 0.000 1.306 406 V HN 0.880 nan 8.190 nan 0.000 0.479 407 E N 1.539 121.758 120.200 0.031 0.000 2.204 407 E HA -0.176 4.174 4.350 0.001 0.000 0.195 407 E C 2.146 178.701 176.600 -0.074 0.000 0.990 407 E CA 1.392 57.788 56.400 -0.006 0.000 0.821 407 E CB 0.053 29.732 29.700 -0.036 0.000 0.750 407 E HN 0.826 nan 8.360 nan 0.000 0.477 408 S N 0.397 116.036 115.700 -0.101 0.000 2.507 408 S HA -0.131 4.340 4.470 0.001 0.000 0.235 408 S C 1.463 175.815 174.600 -0.414 0.000 0.988 408 S CA 0.650 58.737 58.200 -0.189 0.000 0.944 408 S CB 0.027 63.148 63.200 -0.131 0.000 0.762 408 S HN 0.222 nan 8.310 nan 0.000 0.526 409 Q N 0.205 119.793 119.800 -0.353 0.000 2.186 409 Q HA 0.427 4.768 4.340 0.001 0.000 0.241 409 Q C -0.762 175.109 176.000 -0.215 0.000 0.849 409 Q CA -0.000 55.443 55.803 -0.600 0.000 1.053 409 Q CB 0.341 28.965 28.738 -0.190 0.000 1.146 409 Q HN 0.563 nan 8.270 nan 0.000 0.475 410 M N 1.040 120.562 119.600 -0.129 0.000 1.986 410 M HA 0.240 4.720 4.480 0.001 0.000 0.247 410 M C -0.115 176.204 176.300 0.030 0.000 0.851 410 M CA -0.118 55.213 55.300 0.053 0.000 0.785 410 M CB 1.213 33.887 32.600 0.123 0.000 1.554 410 M HN 0.112 nan 8.290 nan 0.000 0.361 411 L N -0.000 121.258 121.223 0.059 0.000 2.515 411 L HA 0.276 4.616 4.340 0.001 0.000 0.223 411 L C 0.592 177.558 176.870 0.160 0.000 1.079 411 L CA 0.920 55.757 54.840 -0.006 0.000 0.857 411 L CB 0.161 42.126 42.059 -0.157 0.000 1.050 411 L HN 0.503 nan 8.230 nan 0.000 0.476 412 E N -0.493 119.865 120.200 0.262 0.000 2.146 412 E HA 0.027 4.378 4.350 0.001 0.000 0.282 412 E C 0.220 176.998 176.600 0.297 0.000 0.989 412 E CA -0.314 56.273 56.400 0.312 0.000 0.799 412 E CB 1.419 31.301 29.700 0.304 0.000 1.088 412 E HN 0.042 nan 8.360 nan 0.000 0.397 413 Y N 3.580 123.976 120.300 0.160 0.000 2.352 413 Y HA -0.126 4.425 4.550 0.001 0.000 0.292 413 Y C 1.208 177.186 175.900 0.131 0.000 1.136 413 Y CA 1.733 59.908 58.100 0.125 0.000 1.227 413 Y CB 0.524 39.052 38.460 0.114 0.000 0.991 413 Y HN 0.517 nan 8.280 nan 0.000 0.545 414 E N 0.253 120.529 120.200 0.127 0.000 2.474 414 E HA -0.012 4.338 4.350 0.001 0.000 0.195 414 E C 0.108 176.784 176.600 0.128 0.000 1.039 414 E CA -0.143 56.291 56.400 0.058 0.000 0.881 414 E CB 0.125 29.893 29.700 0.114 0.000 0.970 414 E HN 0.406 nan 8.360 nan 0.000 0.486 415 E N 2.838 123.145 120.200 0.178 0.000 2.465 415 E HA -0.046 4.305 4.350 0.001 0.000 0.260 415 E C -1.580 175.173 176.600 0.255 0.000 0.980 415 E CA -1.122 55.403 56.400 0.208 0.000 0.927 415 E CB 0.709 30.550 29.700 0.235 0.000 0.934 415 E HN -0.047 nan 8.360 nan 0.000 0.459 416 P HA 0.019 nan 4.420 nan 0.000 0.257 416 P C -0.525 176.800 177.300 0.042 0.000 1.281 416 P CA 0.260 63.443 63.100 0.139 0.000 0.826 416 P CB 0.282 32.030 31.700 0.080 0.000 1.237 417 T N -1.961 112.647 114.554 0.089 0.000 2.916 417 T HA 0.663 5.014 4.350 0.001 0.000 0.292 417 T C -0.337 174.467 174.700 0.174 0.000 1.064 417 T CA -0.853 61.240 62.100 -0.012 0.000 1.011 417 T CB 1.587 70.428 68.868 -0.044 0.000 1.152 417 T HN -0.001 nan 8.240 nan 0.000 0.510 418 F N -0.744 119.242 119.950 0.059 0.000 2.541 418 F HA 0.911 5.439 4.527 0.001 0.000 0.331 418 F C -0.200 175.680 175.800 0.132 0.000 1.057 418 F CA -1.684 56.407 58.000 0.152 0.000 0.975 418 F CB 1.261 40.376 39.000 0.191 0.000 1.246 418 F HN 0.662 nan 8.300 nan 0.000 0.484 419 R N 2.806 123.520 120.500 0.357 0.000 2.265 419 R HA 0.543 4.883 4.340 0.001 0.000 0.328 419 R C -1.453 175.056 176.300 0.349 0.000 0.969 419 R CA -0.654 55.607 56.100 0.268 0.000 0.832 419 R CB 0.935 31.391 30.300 0.259 0.000 1.139 419 R HN 1.000 nan 8.270 nan 0.000 0.457 420 M N 2.938 122.709 119.600 0.285 0.000 2.393 420 M HA 0.417 4.898 4.480 0.001 0.000 0.316 420 M C -1.209 175.220 176.300 0.216 0.000 1.087 420 M CA -0.579 54.889 55.300 0.280 0.000 0.937 420 M CB 1.727 34.475 32.600 0.247 0.000 1.668 420 M HN 0.635 nan 8.290 nan 0.000 0.438 421 E N 4.074 124.327 120.200 0.089 0.000 2.199 421 E HA 0.278 4.628 4.350 0.001 0.000 0.269 421 E C -2.474 174.115 176.600 -0.019 0.000 0.899 421 E CA -0.328 55.957 56.400 -0.192 0.000 0.772 421 E CB 1.984 31.291 29.700 -0.655 0.000 1.155 421 E HN 0.777 nan 8.360 nan 0.000 0.408 422 Y N 2.581 122.785 120.300 -0.161 0.000 2.442 422 Y HA 0.481 5.031 4.550 0.001 0.000 0.344 422 Y C -0.886 174.957 175.900 -0.094 0.000 0.976 422 Y CA -0.178 57.891 58.100 -0.051 0.000 1.040 422 Y CB 1.465 39.985 38.460 0.100 0.000 1.228 422 Y HN 0.642 nan 8.280 nan 0.000 0.451 423 S N 3.038 118.399 115.700 -0.564 0.000 2.688 423 S HA 0.827 5.298 4.470 0.001 0.000 0.275 423 S C -1.372 173.005 174.600 -0.371 0.000 1.175 423 S CA -0.594 57.409 58.200 -0.329 0.000 0.818 423 S CB 1.625 64.759 63.200 -0.111 0.000 1.157 423 S HN 0.810 nan 8.310 nan 0.000 0.482 424 S N -0.965 114.686 115.700 -0.082 0.000 2.720 424 S HA 0.572 5.043 4.470 0.001 0.000 0.287 424 S C 0.635 175.330 174.600 0.159 0.000 1.168 424 S CA -0.798 57.406 58.200 0.006 0.000 0.832 424 S CB 0.765 63.998 63.200 0.055 0.000 1.166 424 S HN 0.747 nan 8.310 nan 0.000 0.493 425 L N 1.028 122.343 121.223 0.154 0.000 2.129 425 L HA -0.046 4.295 4.340 0.001 0.000 0.212 425 L C 1.759 178.787 176.870 0.262 0.000 1.087 425 L CA 1.808 56.766 54.840 0.197 0.000 0.757 425 L CB -0.362 41.806 42.059 0.182 0.000 0.896 425 L HN 0.727 nan 8.230 nan 0.000 0.434 426 A N -1.919 121.074 122.820 0.289 0.000 2.606 426 A HA 0.280 4.601 4.320 0.001 0.000 0.290 426 A C 0.239 178.071 177.584 0.413 0.000 1.174 426 A CA -0.162 52.110 52.037 0.393 0.000 0.958 426 A CB 0.249 19.406 19.000 0.261 0.000 1.194 426 A HN 0.124 nan 8.150 nan 0.000 0.526 427 T N 2.820 117.518 114.554 0.240 0.000 2.864 427 T HA 0.443 4.793 4.350 0.001 0.000 0.310 427 T C -2.981 171.500 174.700 -0.365 0.000 1.040 427 T CA -1.168 60.941 62.100 0.015 0.000 0.977 427 T CB 1.546 70.474 68.868 0.100 0.000 0.976 427 T HN 0.026 nan 8.240 nan 0.000 0.459 428 P HA 0.060 nan 4.420 nan 0.000 0.266 428 P C -0.197 176.823 177.300 -0.466 0.000 1.193 428 P CA -0.301 62.076 63.100 -1.205 0.000 0.770 428 P CB 0.330 31.477 31.700 -0.921 0.000 0.836 429 N N 0.214 118.710 118.700 -0.341 0.000 2.407 429 N HA 0.170 4.910 4.740 0.001 0.000 0.250 429 N C -0.294 175.023 175.510 -0.321 0.000 1.236 429 N CA 0.623 53.449 53.050 -0.374 0.000 0.879 429 N CB -0.100 38.017 38.487 -0.618 0.000 1.088 429 N HN 0.294 nan 8.380 nan 0.000 0.450 430 T N 1.215 115.561 114.554 -0.346 0.000 2.861 430 T HA 0.338 4.688 4.350 0.001 0.000 0.287 430 T C -0.918 173.520 174.700 -0.436 0.000 1.003 430 T CA -0.495 61.420 62.100 -0.308 0.000 0.977 430 T CB 0.790 69.409 68.868 -0.415 0.000 0.996 430 T HN 0.289 nan 8.240 nan 0.000 0.448 431 W N 3.170 124.262 121.300 -0.347 0.000 2.429 431 W HA 0.558 5.219 4.660 0.001 0.000 0.314 431 W C -1.245 175.053 176.519 -0.368 0.000 1.062 431 W CA -0.860 56.371 57.345 -0.190 0.000 1.211 431 W CB 1.119 30.534 29.460 -0.076 0.000 1.305 431 W HN 0.539 nan 8.180 nan 0.000 0.476 432 F N 1.543 121.579 119.950 0.143 0.000 2.508 432 F HA 0.229 4.757 4.527 0.002 0.000 0.325 432 F C 0.481 176.270 175.800 -0.018 0.000 1.090 432 F CA -0.847 57.164 58.000 0.020 0.000 0.945 432 F CB 1.216 40.161 39.000 -0.091 0.000 1.156 432 F HN 0.026 nan 8.300 nan 0.000 0.463 433 D N 2.137 122.624 120.400 0.146 0.000 2.264 433 D HA 0.429 5.069 4.640 0.001 0.000 0.250 433 D C -0.624 175.583 176.300 -0.155 0.000 1.113 433 D CA 0.160 54.158 54.000 -0.002 0.000 0.871 433 D CB 1.813 42.627 40.800 0.023 0.000 1.167 433 D HN 0.088 nan 8.370 nan 0.000 0.447 434 V N 1.425 121.048 119.914 -0.485 0.000 2.540 434 V HA 0.265 4.385 4.120 0.001 0.000 0.302 434 V C 0.313 176.031 176.094 -0.628 0.000 1.035 434 V CA -0.918 60.958 62.300 -0.708 0.000 0.873 434 V CB 1.991 33.053 31.823 -1.269 0.000 0.992 434 V HN 0.494 nan 8.190 nan 0.000 0.428 435 S N 5.749 121.271 115.700 -0.297 0.000 2.505 435 S HA 0.325 4.795 4.470 0.001 0.000 0.276 435 S C -1.186 173.422 174.600 0.013 0.000 1.274 435 S CA -1.124 56.986 58.200 -0.150 0.000 1.053 435 S CB 1.163 64.320 63.200 -0.070 0.000 0.919 435 S HN 0.686 nan 8.310 nan 0.000 0.490 436 P HA -0.016 nan 4.420 nan 0.000 0.241 436 P C 0.883 178.250 177.300 0.112 0.000 1.191 436 P CA 0.447 63.651 63.100 0.174 0.000 0.771 436 P CB 0.286 31.859 31.700 -0.212 0.000 0.929 437 Q N 2.006 121.819 119.800 0.021 0.000 2.062 437 Q HA -0.108 4.233 4.340 0.001 0.000 0.196 437 Q C 1.135 177.092 176.000 -0.071 0.000 0.967 437 Q CA 2.061 57.858 55.803 -0.009 0.000 0.832 437 Q CB -0.311 28.421 28.738 -0.010 0.000 0.899 437 Q HN 0.186 nan 8.270 nan 0.000 0.442 438 D N -3.376 116.988 120.400 -0.060 0.000 2.525 438 D HA 0.040 4.680 4.640 0.001 0.000 0.231 438 D C -0.481 175.786 176.300 -0.054 0.000 1.216 438 D CA 0.016 53.949 54.000 -0.112 0.000 0.813 438 D CB -0.526 40.234 40.800 -0.067 0.000 1.108 438 D HN 0.529 nan 8.370 nan 0.000 0.524 439 H N -0.190 118.843 119.070 -0.062 0.000 3.080 439 H HA -0.166 4.390 4.556 0.001 0.000 0.254 439 H C -0.139 175.094 175.328 -0.158 0.000 1.179 439 H CA 0.337 56.326 56.048 -0.098 0.000 1.144 439 H CB -1.780 27.936 29.762 -0.078 0.000 1.261 439 H HN 0.386 nan 8.280 nan 0.000 0.333 440 S N 1.444 117.129 115.700 -0.024 0.000 2.573 440 S HA 0.358 4.829 4.470 0.001 0.000 0.277 440 S C 0.522 175.041 174.600 -0.135 0.000 1.346 440 S CA -0.136 58.015 58.200 -0.081 0.000 1.034 440 S CB 1.834 64.999 63.200 -0.059 0.000 0.879 440 S HN 0.573 nan 8.310 nan 0.000 0.528 441 R N -0.059 120.357 120.500 -0.139 0.000 2.668 441 R HA 0.652 4.992 4.340 0.001 0.000 0.272 441 R C -1.745 174.567 176.300 0.019 0.000 1.019 441 R CA -0.814 55.205 56.100 -0.135 0.000 0.894 441 R CB 1.463 31.539 30.300 -0.373 0.000 1.228 441 R HN 0.543 nan 8.270 nan 0.000 0.460 442 T N 1.471 116.099 114.554 0.122 0.000 2.841 442 T HA 0.525 4.875 4.350 0.001 0.000 0.285 442 T C -0.372 174.457 174.700 0.215 0.000 0.991 442 T CA -0.565 61.620 62.100 0.140 0.000 0.966 442 T CB 1.608 70.510 68.868 0.057 0.000 0.962 442 T HN 0.753 nan 8.240 nan 0.000 0.438 443 A N 2.790 125.699 122.820 0.150 0.000 2.492 443 A HA 0.442 4.762 4.320 0.001 0.000 0.254 443 A C 1.141 178.679 177.584 -0.077 0.000 1.091 443 A CA -0.268 51.677 52.037 -0.154 0.000 0.768 443 A CB 0.101 18.952 19.000 -0.249 0.000 1.028 443 A HN 0.762 nan 8.150 nan 0.000 0.498 444 V N 2.428 122.299 119.914 -0.072 0.000 2.922 444 V HA 0.192 4.313 4.120 0.001 0.000 0.242 444 V C 0.852 176.915 176.094 -0.052 0.000 1.094 444 V CA 1.726 64.013 62.300 -0.022 0.000 1.106 444 V CB -0.222 31.626 31.823 0.041 0.000 0.799 444 V HN 0.881 nan 8.190 nan 0.000 0.474 445 K N -0.032 120.355 120.400 -0.022 0.000 2.542 445 K HA 0.557 4.878 4.320 0.001 0.000 0.259 445 K C -2.193 174.467 176.600 0.099 0.000 0.932 445 K CA -0.398 55.880 56.287 -0.015 0.000 0.820 445 K CB 2.815 35.216 32.500 -0.164 0.000 1.345 445 K HN -0.093 nan 8.250 nan 0.000 0.432 446 V N 3.921 123.862 119.914 0.044 0.000 2.444 446 V HA 0.404 4.525 4.120 0.001 0.000 0.294 446 V C -0.131 176.010 176.094 0.079 0.000 1.022 446 V CA -0.904 61.426 62.300 0.050 0.000 0.850 446 V CB 1.401 33.201 31.823 -0.037 0.000 0.992 446 V HN 0.766 nan 8.190 nan 0.000 0.426 447 R N 3.681 124.274 120.500 0.156 0.000 2.458 447 R HA 0.114 4.454 4.340 0.001 0.000 0.303 447 R C -0.033 176.246 176.300 -0.036 0.000 1.013 447 R CA 0.043 56.202 56.100 0.099 0.000 1.026 447 R CB 0.412 30.794 30.300 0.136 0.000 0.948 447 R HN 0.732 nan 8.270 nan 0.000 0.417 448 E N 3.089 123.274 120.200 -0.026 0.000 2.289 448 E HA 0.185 4.535 4.350 0.001 0.000 0.278 448 E C -0.981 175.592 176.600 -0.045 0.000 1.032 448 E CA -0.488 55.896 56.400 -0.028 0.000 0.854 448 E CB 1.829 31.520 29.700 -0.013 0.000 1.046 448 E HN 0.294 nan 8.360 nan 0.000 0.409 449 V N 3.224 123.116 119.914 -0.037 0.000 2.409 449 V HA 0.374 4.494 4.120 0.001 0.000 0.290 449 V C 0.619 176.794 176.094 0.135 0.000 1.017 449 V CA -0.573 61.695 62.300 -0.054 0.000 0.841 449 V CB 1.460 33.026 31.823 -0.429 0.000 1.003 449 V HN 0.843 nan 8.190 nan 0.000 0.426 450 G N 2.658 111.549 108.800 0.152 0.000 2.829 450 G HA2 0.530 4.490 3.960 0.001 0.000 0.173 450 G HA3 0.530 4.490 3.960 0.001 0.000 0.173 450 G C 1.024 176.084 174.900 0.268 0.000 1.476 450 G CA -0.003 45.198 45.100 0.169 0.000 1.072 450 G HN 1.746 nan 8.290 nan 0.000 0.577 451 G N -1.570 107.312 108.800 0.138 0.000 2.258 451 G HA2 0.232 4.193 3.960 0.001 0.000 0.274 451 G HA3 0.232 4.193 3.960 0.001 0.000 0.274 451 G C 1.458 176.479 174.900 0.201 0.000 1.021 451 G CA 1.370 46.534 45.100 0.107 0.000 0.798 451 G HN 2.414 nan 8.290 nan 0.000 0.507 452 G N -1.824 107.090 108.800 0.189 0.000 2.176 452 G HA2 -0.088 3.873 3.960 0.001 0.000 0.253 452 G HA3 -0.088 3.873 3.960 0.001 0.000 0.253 452 G C 0.482 175.496 174.900 0.190 0.000 0.979 452 G CA 0.343 45.537 45.100 0.157 0.000 0.641 452 G HN 1.940 nan 8.290 nan 0.000 0.530 453 F N 2.151 122.202 119.950 0.168 0.000 2.607 453 F HA 0.508 5.036 4.527 0.001 0.000 0.374 453 F C 0.152 176.023 175.800 0.119 0.000 1.104 453 F CA 0.264 58.363 58.000 0.165 0.000 1.296 453 F CB 0.755 39.810 39.000 0.091 0.000 1.085 453 F HN 0.089 nan 8.300 nan 0.000 0.584 454 D N 4.243 124.022 120.400 -1.036 0.000 2.970 454 D HA 0.330 4.970 4.640 0.001 0.000 0.230 454 D C 0.283 176.025 176.300 -0.930 0.000 1.276 454 D CA -0.002 53.516 54.000 -0.803 0.000 0.910 454 D CB 2.183 42.770 40.800 -0.355 0.000 1.590 454 D HN 0.722 nan 8.370 nan 0.000 0.551 455 A N 2.949 125.430 122.820 -0.564 0.000 1.978 455 A HA -0.074 4.246 4.320 0.001 0.000 0.220 455 A C 1.841 179.399 177.584 -0.043 0.000 1.170 455 A CA 2.039 54.028 52.037 -0.081 0.000 0.636 455 A CB -0.256 18.808 19.000 0.106 0.000 0.810 455 A HN 0.578 nan 8.150 nan 0.000 0.448 456 A N -0.460 122.268 122.820 -0.154 0.000 2.235 456 A HA -0.006 4.315 4.320 0.001 0.000 0.208 456 A C 1.483 178.891 177.584 -0.292 0.000 1.172 456 A CA 0.844 52.788 52.037 -0.155 0.000 0.786 456 A CB -0.482 18.446 19.000 -0.121 0.000 0.804 456 A HN 0.492 nan 8.150 nan 0.000 0.479 457 N N -0.761 117.631 118.700 -0.514 0.000 2.550 457 N HA 0.020 4.761 4.740 0.001 0.000 0.186 457 N C -0.859 173.894 175.510 -1.262 0.000 1.110 457 N CA 0.746 53.211 53.050 -0.976 0.000 0.912 457 N CB -0.122 37.620 38.487 -1.242 0.000 0.968 457 N HN 0.599 nan 8.380 nan 0.000 0.448 458 Y N -0.157 119.963 120.300 -0.300 0.000 2.499 458 Y HA 0.424 4.975 4.550 0.001 0.000 0.347 458 Y C 0.178 175.936 175.900 -0.238 0.000 0.987 458 Y CA -0.977 56.984 58.100 -0.231 0.000 1.044 458 Y CB 1.709 40.122 38.460 -0.078 0.000 1.245 458 Y HN -0.416 nan 8.280 nan 0.000 0.461 459 K N 1.947 122.192 120.400 -0.259 0.000 2.182 459 K HA 0.728 5.048 4.320 0.001 0.000 0.262 459 K C -1.421 174.981 176.600 -0.330 0.000 0.957 459 K CA -0.863 55.198 56.287 -0.378 0.000 0.842 459 K CB 2.219 34.308 32.500 -0.685 0.000 1.099 459 K HN 0.366 nan 8.250 nan 0.000 0.438 460 V N 2.908 122.754 119.914 -0.114 0.000 2.540 460 V HA 0.360 4.481 4.120 0.001 0.000 0.302 460 V C -0.542 175.564 176.094 0.020 0.000 1.035 460 V CA -0.743 61.551 62.300 -0.011 0.000 0.873 460 V CB 1.692 33.546 31.823 0.052 0.000 0.992 460 V HN 0.795 nan 8.190 nan 0.000 0.428 461 E N 2.610 122.847 120.200 0.061 0.000 2.393 461 E HA 0.612 4.962 4.350 0.001 0.000 0.273 461 E C -1.063 175.548 176.600 0.019 0.000 0.918 461 E CA -1.084 55.359 56.400 0.072 0.000 0.773 461 E CB 3.125 32.915 29.700 0.151 0.000 1.275 461 E HN 0.550 nan 8.360 nan 0.000 0.451 462 R N 1.744 122.222 120.500 -0.036 0.000 2.387 462 R HA 0.406 4.747 4.340 0.001 0.000 0.314 462 R C -0.750 175.380 176.300 -0.284 0.000 0.958 462 R CA -0.546 55.435 56.100 -0.197 0.000 0.846 462 R CB 0.686 30.852 30.300 -0.224 0.000 1.147 462 R HN 0.332 nan 8.270 nan 0.000 0.447 463 R N 3.023 123.250 120.500 -0.455 0.000 2.939 463 R HA 0.503 4.844 4.340 0.001 0.000 0.254 463 R C -1.210 174.520 176.300 -0.951 0.000 1.123 463 R CA -0.873 54.964 56.100 -0.439 0.000 1.020 463 R CB 1.077 31.270 30.300 -0.179 0.000 1.206 463 R HN 0.478 nan 8.270 nan 0.000 0.491 464 F N -0.149 119.499 119.950 -0.504 0.000 2.562 464 F HA 0.558 5.086 4.527 0.001 0.000 0.319 464 F C 0.322 175.690 175.800 -0.721 0.000 1.154 464 F CA -0.809 56.926 58.000 -0.441 0.000 0.931 464 F CB 1.953 40.836 39.000 -0.194 0.000 1.198 464 F HN 0.556 nan 8.300 nan 0.000 0.444 465 A N 1.510 124.092 122.820 -0.396 0.000 2.257 465 A HA 0.834 5.155 4.320 0.001 0.000 0.289 465 A C -0.317 177.293 177.584 0.042 0.000 1.095 465 A CA -0.405 51.510 52.037 -0.204 0.000 0.836 465 A CB 0.545 19.511 19.000 -0.056 0.000 1.111 465 A HN 0.647 nan 8.150 nan 0.000 0.497 466 T N 1.153 115.770 114.554 0.104 0.000 2.809 466 T HA 0.591 4.942 4.350 0.001 0.000 0.284 466 T C 0.255 175.011 174.700 0.094 0.000 0.992 466 T CA 0.235 62.397 62.100 0.102 0.000 0.957 466 T CB 1.239 70.168 68.868 0.100 0.000 0.942 466 T HN 1.074 nan 8.240 nan 0.000 0.439 467 A N 4.607 127.479 122.820 0.086 0.000 2.310 467 A HA 0.553 4.874 4.320 0.001 0.000 0.260 467 A C -1.242 176.375 177.584 0.055 0.000 1.112 467 A CA -1.258 50.818 52.037 0.065 0.000 0.804 467 A CB -0.232 18.795 19.000 0.045 0.000 1.081 467 A HN 0.514 nan 8.150 nan 0.000 0.499 468 P HA -0.142 nan 4.420 nan 0.000 0.218 468 P C 0.447 177.768 177.300 0.035 0.000 1.148 468 P CA 1.679 64.804 63.100 0.041 0.000 0.822 468 P CB -0.024 31.699 31.700 0.039 0.000 0.784 469 D N -1.615 118.803 120.400 0.029 0.000 2.324 469 D HA -0.076 4.564 4.640 0.001 0.000 0.235 469 D C 0.519 176.839 176.300 0.033 0.000 1.095 469 D CA 0.200 54.215 54.000 0.026 0.000 0.871 469 D CB -0.498 40.310 40.800 0.014 0.000 0.906 469 D HN -0.009 nan 8.370 nan 0.000 0.522 470 Q N -1.340 118.486 119.800 0.042 0.000 2.342 470 Q HA -0.139 4.201 4.340 0.001 0.000 0.196 470 Q C -0.269 175.768 176.000 0.062 0.000 0.629 470 Q CA 1.015 56.847 55.803 0.048 0.000 1.365 470 Q CB -3.061 25.699 28.738 0.037 0.000 1.406 470 Q HN 0.415 nan 8.270 nan 0.000 0.840 471 T N 2.624 117.224 114.554 0.077 0.000 2.930 471 T HA 0.196 4.547 4.350 0.001 0.000 0.306 471 T C 0.618 175.417 174.700 0.164 0.000 1.045 471 T CA -0.098 62.081 62.100 0.131 0.000 1.134 471 T CB 0.811 69.761 68.868 0.135 0.000 0.961 471 T HN -0.062 nan 8.240 nan 0.000 0.545 472 K N 3.184 123.694 120.400 0.184 0.000 2.258 472 K HA 0.314 4.635 4.320 0.001 0.000 0.284 472 K C -0.303 176.518 176.600 0.367 0.000 1.051 472 K CA -0.500 55.902 56.287 0.191 0.000 0.923 472 K CB 0.818 33.328 32.500 0.017 0.000 1.046 472 K HN 0.408 nan 8.250 nan 0.000 0.474 473 I N 5.941 126.715 120.570 0.339 0.000 2.330 473 I HA 0.259 4.429 4.170 0.001 0.000 0.289 473 I C -2.258 174.016 176.117 0.262 0.000 1.001 473 I CA -3.243 58.290 61.300 0.387 0.000 1.193 473 I CB 0.953 39.103 38.000 0.250 0.000 1.345 473 I HN 0.126 nan 8.210 nan 0.000 0.461 474 P HA 0.321 nan 4.420 nan 0.000 0.275 474 P C -0.779 176.512 177.300 -0.014 0.000 1.227 474 P CA -0.290 62.746 63.100 -0.106 0.000 0.781 474 P CB 0.795 32.437 31.700 -0.097 0.000 0.906 475 L N 2.025 123.110 121.223 -0.231 0.000 2.362 475 L HA 0.438 4.779 4.340 0.001 0.000 0.271 475 L C 0.103 176.934 176.870 -0.065 0.000 1.002 475 L CA 0.064 54.847 54.840 -0.095 0.000 0.818 475 L CB 1.904 43.860 42.059 -0.172 0.000 1.298 475 L HN 0.203 nan 8.230 nan 0.000 0.420 476 S N 1.465 117.195 115.700 0.051 0.000 2.437 476 S HA 0.782 5.253 4.470 0.001 0.000 0.305 476 S C -0.598 174.009 174.600 0.012 0.000 1.109 476 S CA -0.599 57.640 58.200 0.064 0.000 1.099 476 S CB 1.493 64.817 63.200 0.206 0.000 1.004 476 S HN 0.266 nan 8.310 nan 0.000 0.475 477 V N 3.592 123.541 119.914 0.059 0.000 2.656 477 V HA 0.711 4.832 4.120 0.001 0.000 0.307 477 V C -0.456 175.762 176.094 0.208 0.000 1.051 477 V CA -0.689 61.688 62.300 0.129 0.000 0.893 477 V CB 1.825 33.758 31.823 0.183 0.000 0.999 477 V HN 0.622 nan 8.190 nan 0.000 0.426 478 V N 6.357 126.445 119.914 0.289 0.000 2.841 478 V HA 0.909 5.029 4.120 0.001 0.000 0.310 478 V C -1.691 174.661 176.094 0.429 0.000 1.090 478 V CA -0.390 62.064 62.300 0.256 0.000 0.930 478 V CB 2.081 34.049 31.823 0.242 0.000 1.014 478 V HN 0.987 nan 8.190 nan 0.000 0.425 479 Y N 2.686 123.167 120.300 0.300 0.000 2.713 479 Y HA 0.566 5.117 4.550 0.001 0.000 0.335 479 Y C -0.673 175.459 175.900 0.387 0.000 1.222 479 Y CA -1.160 57.141 58.100 0.336 0.000 1.061 479 Y CB 0.913 39.514 38.460 0.235 0.000 1.314 479 Y HN 0.777 nan 8.280 nan 0.000 0.453 480 H N 3.118 122.462 119.070 0.456 0.000 2.683 480 H HA 0.153 4.710 4.556 0.001 0.000 0.339 480 H C 0.812 176.231 175.328 0.151 0.000 1.081 480 H CA 0.681 56.842 56.048 0.188 0.000 1.432 480 H CB 1.846 31.693 29.762 0.142 0.000 1.462 480 H HN 0.935 nan 8.280 nan 0.000 0.557 481 K N 3.037 123.361 120.400 -0.127 0.000 2.211 481 K HA -0.140 4.181 4.320 0.001 0.000 0.204 481 K C 0.256 176.986 176.600 0.216 0.000 1.047 481 K CA 1.815 58.111 56.287 0.014 0.000 0.935 481 K CB 0.257 32.659 32.500 -0.164 0.000 0.728 481 K HN 0.409 nan 8.250 nan 0.000 0.452 482 D N 0.818 121.488 120.400 0.450 0.000 2.340 482 D HA 0.012 4.653 4.640 0.001 0.000 0.220 482 D C 0.161 176.565 176.300 0.174 0.000 1.039 482 D CA -0.013 54.136 54.000 0.248 0.000 0.866 482 D CB -0.011 40.882 40.800 0.156 0.000 0.913 482 D HN 0.133 nan 8.370 nan 0.000 0.523 483 L N 2.103 123.474 121.223 0.247 0.000 2.513 483 L HA 0.025 4.365 4.340 0.001 0.000 0.272 483 L C 0.092 177.023 176.870 0.102 0.000 1.187 483 L CA -0.189 54.750 54.840 0.165 0.000 0.895 483 L CB 0.450 42.649 42.059 0.233 0.000 1.147 483 L HN -0.230 nan 8.230 nan 0.000 0.483 484 D N 5.471 125.901 120.400 0.049 0.000 2.348 484 D HA -0.005 4.636 4.640 0.001 0.000 0.259 484 D C 0.679 176.974 176.300 -0.008 0.000 1.296 484 D CA -0.024 53.991 54.000 0.025 0.000 0.931 484 D CB 0.557 41.365 40.800 0.013 0.000 1.067 484 D HN 0.464 nan 8.370 nan 0.000 0.503 485 M N 2.198 121.789 119.600 -0.014 0.000 2.561 485 M HA -0.042 4.439 4.480 0.001 0.000 0.238 485 M C 1.783 178.055 176.300 -0.046 0.000 1.131 485 M CA 0.238 55.498 55.300 -0.067 0.000 1.046 485 M CB -0.980 31.575 32.600 -0.075 0.000 1.532 485 M HN 0.417 nan 8.290 nan 0.000 0.497 486 S N 0.157 115.843 115.700 -0.023 0.000 2.522 486 S HA -0.006 4.465 4.470 0.001 0.000 0.227 486 S C 0.655 175.238 174.600 -0.030 0.000 0.986 486 S CA -0.141 58.047 58.200 -0.020 0.000 0.929 486 S CB -0.125 63.071 63.200 -0.007 0.000 0.769 486 S HN 0.674 nan 8.310 nan 0.000 0.529 487 Q N -0.393 119.385 119.800 -0.037 0.000 2.544 487 Q HA 0.670 5.010 4.340 0.001 0.000 0.291 487 Q C -3.401 172.566 176.000 -0.055 0.000 1.068 487 Q CA -2.810 52.969 55.803 -0.040 0.000 0.785 487 Q CB 0.670 29.390 28.738 -0.029 0.000 1.481 487 Q HN -0.012 nan 8.270 nan 0.000 0.430 488 P HA 0.111 nan 4.420 nan 0.000 0.271 488 P C -0.924 176.347 177.300 -0.050 0.000 1.218 488 P CA 0.049 63.110 63.100 -0.065 0.000 0.780 488 P CB 0.649 32.310 31.700 -0.065 0.000 0.901 489 Q N 2.145 121.914 119.800 -0.051 0.000 2.458 489 Q HA 0.473 4.813 4.340 0.001 0.000 0.282 489 Q C -2.509 173.484 176.000 -0.011 0.000 1.106 489 Q CA -2.219 53.568 55.803 -0.026 0.000 0.814 489 Q CB 1.608 30.328 28.738 -0.031 0.000 1.425 489 Q HN 0.282 nan 8.270 nan 0.000 0.437 490 P HA 0.136 nan 4.420 nan 0.000 0.269 490 P C -0.482 176.838 177.300 0.033 0.000 1.215 490 P CA -0.115 62.999 63.100 0.023 0.000 0.780 490 P CB 0.775 32.498 31.700 0.037 0.000 0.898 491 C N 3.859 123.173 119.300 0.025 0.000 3.082 491 C HA 0.723 5.184 4.460 0.001 0.000 0.324 491 C C -1.067 173.934 174.990 0.018 0.000 1.210 491 C CA -0.572 58.465 59.018 0.032 0.000 1.366 491 C CB 1.155 28.904 27.740 0.015 0.000 1.756 491 C HN 0.664 nan 8.230 nan 0.000 0.485 492 M N 5.340 124.951 119.600 0.017 0.000 2.243 492 M HA 0.768 5.248 4.480 0.001 0.000 0.324 492 M C -1.731 174.565 176.300 -0.007 0.000 1.031 492 M CA -0.578 54.734 55.300 0.020 0.000 0.949 492 M CB 1.379 33.953 32.600 -0.044 0.000 1.615 492 M HN 0.664 nan 8.290 nan 0.000 0.430 493 L N 6.561 127.827 121.223 0.071 0.000 2.319 493 L HA 0.549 4.890 4.340 0.001 0.000 0.281 493 L C -2.148 174.876 176.870 0.258 0.000 1.005 493 L CA -0.309 54.549 54.840 0.030 0.000 0.828 493 L CB 1.191 43.257 42.059 0.012 0.000 1.227 493 L HN 0.775 nan 8.230 nan 0.000 0.415 494 Y N 4.246 124.562 120.300 0.027 0.000 2.342 494 Y HA 0.794 5.344 4.550 0.001 0.000 0.334 494 Y C 0.181 176.272 175.900 0.318 0.000 1.067 494 Y CA 0.004 58.214 58.100 0.183 0.000 1.128 494 Y CB 1.735 40.262 38.460 0.112 0.000 1.200 494 Y HN 0.717 nan 8.280 nan 0.000 0.464 495 G N 3.602 112.264 108.800 -0.230 0.000 2.690 495 G HA2 0.325 4.286 3.960 0.001 0.000 0.291 495 G HA3 0.325 4.286 3.960 0.001 0.000 0.291 495 G C -1.984 172.817 174.900 -0.165 0.000 1.403 495 G CA -0.443 44.670 45.100 0.022 0.000 0.864 495 G HN 0.662 nan 8.290 nan 0.000 0.480 496 Y N -0.085 120.215 120.300 -0.000 0.000 3.223 496 Y HA 0.461 5.012 4.550 0.001 0.000 0.159 496 Y C 1.777 177.706 175.900 0.049 0.000 0.875 496 Y CA 1.572 59.693 58.100 0.035 0.000 1.850 496 Y CB 0.423 39.014 38.460 0.219 0.000 1.362 496 Y HN 1.556 nan 8.280 nan 0.000 0.341 497 G N 1.381 110.301 108.800 0.199 0.000 2.142 497 G HA2 -0.124 3.836 3.960 0.001 0.000 0.225 497 G HA3 -0.124 3.836 3.960 0.001 0.000 0.225 497 G C -0.346 174.502 174.900 -0.087 0.000 1.015 497 G CA 0.449 45.578 45.100 0.048 0.000 0.716 497 G HN 0.491 nan 8.290 nan 0.000 0.508 498 S N -1.879 113.732 115.700 -0.148 0.000 2.661 498 S HA 0.686 5.157 4.470 0.001 0.000 0.285 498 S C 0.293 174.782 174.600 -0.186 0.000 1.138 498 S CA 0.009 58.028 58.200 -0.302 0.000 0.855 498 S CB 1.196 63.979 63.200 -0.696 0.000 1.136 498 S HN 1.058 nan 8.310 nan 0.000 0.484 499 Y N -0.003 120.111 120.300 -0.309 0.000 4.881 499 Y HA -0.266 4.285 4.550 0.001 0.000 0.241 499 Y C 1.397 176.619 175.900 -1.131 0.000 0.985 499 Y CA 1.142 58.899 58.100 -0.573 0.000 1.976 499 Y CB -2.026 36.329 38.460 -0.174 0.000 1.528 499 Y HN 1.395 nan 8.280 nan 0.000 0.581 500 G N -0.004 107.990 108.800 -1.344 0.000 2.166 500 G HA2 -0.333 3.627 3.960 0.001 0.000 0.260 500 G HA3 -0.333 3.627 3.960 0.001 0.000 0.260 500 G C 0.058 174.915 174.900 -0.072 0.000 0.986 500 G CA 0.241 44.920 45.100 -0.703 0.000 0.683 500 G HN 0.507 nan 8.290 nan 0.000 0.527 501 L N 2.059 123.328 121.223 0.076 0.000 2.342 501 L HA 0.338 4.679 4.340 0.001 0.000 0.285 501 L C 0.771 177.787 176.870 0.244 0.000 1.095 501 L CA -0.381 54.569 54.840 0.182 0.000 0.843 501 L CB 1.012 43.205 42.059 0.224 0.000 1.201 501 L HN 0.131 nan 8.230 nan 0.000 0.445 502 S N 4.114 119.950 115.700 0.227 0.000 2.564 502 S HA 0.351 4.822 4.470 0.001 0.000 0.278 502 S C 0.291 175.041 174.600 0.250 0.000 1.333 502 S CA -0.595 57.766 58.200 0.267 0.000 1.048 502 S CB 0.816 64.142 63.200 0.210 0.000 0.900 502 S HN 0.378 nan 8.310 nan 0.000 0.505 503 M N 3.264 123.064 119.600 0.334 0.000 2.216 503 M HA 0.363 4.844 4.480 0.001 0.000 0.356 503 M C -0.081 176.421 176.300 0.337 0.000 1.205 503 M CA -0.122 55.354 55.300 0.294 0.000 1.122 503 M CB 0.497 33.281 32.600 0.306 0.000 1.571 503 M HN 0.505 nan 8.290 nan 0.000 0.464 504 D N 4.253 124.784 120.400 0.218 0.000 2.340 504 D HA 0.439 5.079 4.640 0.001 0.000 0.240 504 D C -2.221 174.162 176.300 0.139 0.000 1.001 504 D CA -1.105 52.982 54.000 0.146 0.000 0.888 504 D CB 2.292 43.110 40.800 0.030 0.000 1.310 504 D HN 0.271 nan 8.370 nan 0.000 0.474 505 P HA 0.069 nan 4.420 nan 0.000 0.244 505 P C -0.727 176.592 177.300 0.031 0.000 1.769 505 P CA -0.024 63.119 63.100 0.072 0.000 1.102 505 P CB -0.031 31.679 31.700 0.017 0.000 1.937 506 Q N 1.532 121.374 119.800 0.071 0.000 2.359 506 Q HA 0.496 4.837 4.340 0.001 0.000 0.275 506 Q C -0.998 175.067 176.000 0.110 0.000 1.082 506 Q CA -1.128 54.713 55.803 0.063 0.000 0.849 506 Q CB 1.009 29.794 28.738 0.078 0.000 1.377 506 Q HN 0.052 nan 8.270 nan 0.000 0.452 507 F N 1.337 121.254 119.950 -0.054 0.000 2.529 507 F HA 0.407 4.935 4.527 0.001 0.000 0.365 507 F C -0.318 175.402 175.800 -0.133 0.000 1.102 507 F CA 0.607 58.550 58.000 -0.095 0.000 1.271 507 F CB 1.297 40.214 39.000 -0.137 0.000 1.120 507 F HN 0.625 nan 8.300 nan 0.000 0.579 508 S N 5.697 120.713 115.700 -1.140 0.000 2.533 508 S HA 0.374 4.845 4.470 0.001 0.000 0.271 508 S C 0.550 174.315 174.600 -1.391 0.000 1.143 508 S CA -0.674 56.910 58.200 -1.026 0.000 0.891 508 S CB 0.837 63.505 63.200 -0.887 0.000 1.105 508 S HN 0.733 nan 8.310 nan 0.000 0.468 509 I N 1.836 121.861 120.570 -0.907 0.000 3.111 509 I HA 0.079 4.250 4.170 0.001 0.000 0.272 509 I C 1.711 177.552 176.117 -0.460 0.000 1.268 509 I CA 0.455 61.342 61.300 -0.687 0.000 1.467 509 I CB -0.169 37.542 38.000 -0.482 0.000 1.087 509 I HN 0.517 nan 8.210 nan 0.000 0.467 510 Q N 1.453 120.952 119.800 -0.502 0.000 2.226 510 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 510 Q C 1.561 177.353 176.000 -0.347 0.000 0.975 510 Q CA 1.811 57.444 55.803 -0.284 0.000 0.866 510 Q CB -0.538 28.083 28.738 -0.195 0.000 0.915 510 Q HN 0.824 nan 8.270 nan 0.000 0.440 511 H N -0.762 118.043 119.070 -0.440 0.000 2.551 511 H HA 0.134 4.691 4.556 0.001 0.000 0.266 511 H C 2.008 177.194 175.328 -0.237 0.000 0.964 511 H CA -0.241 55.503 56.048 -0.507 0.000 1.180 511 H CB 0.246 29.404 29.762 -1.006 0.000 1.408 511 H HN 0.055 nan 8.280 nan 0.000 0.563 512 L N 0.907 122.021 121.223 -0.182 0.000 2.056 512 L HA -0.044 4.297 4.340 0.001 0.000 0.207 512 L C -0.583 176.334 176.870 0.078 0.000 1.078 512 L CA 0.810 55.623 54.840 -0.046 0.000 0.749 512 L CB -1.097 40.892 42.059 -0.117 0.000 0.901 512 L HN 0.206 nan 8.230 nan 0.000 0.433 513 P HA -0.160 nan 4.420 nan 0.000 0.220 513 P C 1.025 178.384 177.300 0.098 0.000 1.148 513 P CA 1.307 64.389 63.100 -0.031 0.000 0.803 513 P CB -0.001 31.571 31.700 -0.214 0.000 0.782 514 Y N -1.402 118.995 120.300 0.163 0.000 2.176 514 Y HA -0.116 4.434 4.550 0.001 0.000 0.291 514 Y C 2.592 178.629 175.900 0.229 0.000 1.122 514 Y CA 0.033 58.252 58.100 0.198 0.000 1.128 514 Y CB -1.639 36.967 38.460 0.243 0.000 1.005 514 Y HN -0.018 nan 8.280 nan 0.000 0.509 515 C N 0.095 119.662 119.300 0.445 0.000 2.435 515 C HA -0.133 4.328 4.460 0.001 0.000 0.279 515 C C 2.044 177.309 174.990 0.459 0.000 1.321 515 C CA 0.933 60.234 59.018 0.471 0.000 1.752 515 C CB -0.793 27.246 27.740 0.497 0.000 1.959 515 C HN 0.498 nan 8.230 nan 0.000 0.500 516 D N 0.279 120.916 120.400 0.396 0.000 2.348 516 D HA -0.034 4.606 4.640 0.001 0.000 0.216 516 D C 1.879 178.275 176.300 0.161 0.000 0.970 516 D CA 0.749 54.931 54.000 0.303 0.000 0.889 516 D CB -0.326 40.650 40.800 0.294 0.000 0.912 516 D HN 0.527 nan 8.370 nan 0.000 0.524 517 R N -0.374 120.239 120.500 0.189 0.000 2.466 517 R HA 0.279 4.619 4.340 0.001 0.000 0.279 517 R C 0.796 177.176 176.300 0.133 0.000 0.976 517 R CA 0.191 56.375 56.100 0.140 0.000 1.081 517 R CB 0.588 30.987 30.300 0.166 0.000 1.215 517 R HN 0.022 nan 8.270 nan 0.000 0.546 518 G N 1.482 110.372 108.800 0.150 0.000 2.160 518 G HA2 -0.286 3.675 3.960 0.001 0.000 0.244 518 G HA3 -0.286 3.675 3.960 0.001 0.000 0.244 518 G C 0.006 175.003 174.900 0.162 0.000 1.022 518 G CA -0.051 45.130 45.100 0.134 0.000 0.741 518 G HN 0.194 nan 8.290 nan 0.000 0.508 519 M N -0.234 119.504 119.600 0.229 0.000 2.472 519 M HA 0.586 5.067 4.480 0.001 0.000 0.331 519 M C 0.776 177.243 176.300 0.279 0.000 1.170 519 M CA -0.852 54.576 55.300 0.212 0.000 1.009 519 M CB 1.611 34.340 32.600 0.215 0.000 1.672 519 M HN 0.088 nan 8.290 nan 0.000 0.453 520 I N 1.689 122.383 120.570 0.207 0.000 2.529 520 I HA 0.160 4.331 4.170 0.001 0.000 0.284 520 I C -0.803 175.486 176.117 0.286 0.000 1.082 520 I CA -0.004 61.445 61.300 0.248 0.000 1.406 520 I CB 0.416 38.473 38.000 0.095 0.000 1.405 520 I HN 0.459 nan 8.210 nan 0.000 0.548 521 F N 6.422 126.489 119.950 0.195 0.000 2.449 521 F HA 0.737 5.264 4.527 0.001 0.000 0.342 521 F C -0.278 175.574 175.800 0.087 0.000 1.127 521 F CA -0.575 57.501 58.000 0.127 0.000 0.975 521 F CB 1.026 40.107 39.000 0.136 0.000 1.146 521 F HN 0.456 nan 8.300 nan 0.000 0.444 522 A N 7.120 129.466 122.820 -0.791 0.000 2.386 522 A HA 0.786 5.107 4.320 0.001 0.000 0.311 522 A C -1.279 175.891 177.584 -0.690 0.000 1.068 522 A CA -0.699 51.021 52.037 -0.528 0.000 0.743 522 A CB 1.001 19.875 19.000 -0.209 0.000 1.258 522 A HN 0.724 nan 8.150 nan 0.000 0.429 523 I N 1.823 122.133 120.570 -0.433 0.000 2.354 523 I HA 0.499 4.670 4.170 0.001 0.000 0.292 523 I C 0.609 176.546 176.117 -0.300 0.000 0.989 523 I CA -0.360 60.760 61.300 -0.300 0.000 1.188 523 I CB 1.926 39.741 38.000 -0.309 0.000 1.342 523 I HN 0.706 nan 8.210 nan 0.000 0.457 524 A N 5.876 128.622 122.820 -0.124 0.000 2.252 524 A HA 0.357 4.678 4.320 0.001 0.000 0.309 524 A C -0.082 177.490 177.584 -0.021 0.000 1.285 524 A CA -0.476 51.518 52.037 -0.071 0.000 0.900 524 A CB -0.133 18.852 19.000 -0.025 0.000 1.157 524 A HN 0.713 nan 8.150 nan 0.000 0.536 525 H N 4.343 123.534 119.070 0.201 0.000 2.768 525 H HA 0.134 4.691 4.556 0.001 0.000 0.219 525 H C 0.637 176.268 175.328 0.505 0.000 1.898 525 H CA 0.046 56.273 56.048 0.297 0.000 1.313 525 H CB -0.436 29.429 29.762 0.173 0.000 1.701 525 H HN 0.722 nan 8.280 nan 0.000 0.534 526 I N -1.330 119.495 120.570 0.425 0.000 2.779 526 I HA 0.192 4.363 4.170 0.001 0.000 0.285 526 I C 0.511 176.686 176.117 0.097 0.000 1.134 526 I CA -0.673 60.786 61.300 0.265 0.000 1.398 526 I CB 0.844 38.958 38.000 0.188 0.000 1.404 526 I HN 0.053 nan 8.210 nan 0.000 0.587 527 R N 2.817 123.050 120.500 -0.445 0.000 2.640 527 R HA 0.272 4.613 4.340 0.001 0.000 0.270 527 R C 1.070 177.190 176.300 -0.301 0.000 1.024 527 R CA 1.206 56.794 56.100 -0.853 0.000 1.085 527 R CB 0.321 30.075 30.300 -0.910 0.000 0.963 527 R HN 1.091 nan 8.270 nan 0.000 0.426 528 G N 1.103 109.828 108.800 -0.126 0.000 2.436 528 G HA2 -0.208 3.752 3.960 0.001 0.000 0.204 528 G HA3 -0.208 3.752 3.960 0.001 0.000 0.204 528 G C 0.513 175.509 174.900 0.161 0.000 1.026 528 G CA -0.381 44.767 45.100 0.080 0.000 0.658 528 G HN 0.896 nan 8.290 nan 0.000 0.499 529 G N -0.082 108.877 108.800 0.264 0.000 2.611 529 G HA2 0.456 4.417 3.960 0.001 0.000 0.273 529 G HA3 0.456 4.417 3.960 0.001 0.000 0.273 529 G C 0.566 175.747 174.900 0.467 0.000 1.305 529 G CA 0.896 46.218 45.100 0.371 0.000 1.010 529 G HN 0.851 nan 8.290 nan 0.000 0.509 530 S N -0.622 115.309 115.700 0.385 0.000 2.581 530 S HA 0.171 4.642 4.470 0.001 0.000 0.245 530 S C 1.135 175.860 174.600 0.208 0.000 1.115 530 S CA -0.284 58.108 58.200 0.320 0.000 1.093 530 S CB 0.610 64.004 63.200 0.323 0.000 0.853 530 S HN 0.601 nan 8.310 nan 0.000 0.479 531 E N 1.453 121.714 120.200 0.102 0.000 2.106 531 E HA 0.041 4.392 4.350 0.001 0.000 0.192 531 E C 1.119 177.538 176.600 -0.303 0.000 0.984 531 E CA 0.945 57.266 56.400 -0.132 0.000 0.806 531 E CB -0.027 29.529 29.700 -0.240 0.000 0.750 531 E HN 0.459 nan 8.360 nan 0.000 0.458 532 L N -0.579 120.273 121.223 -0.618 0.000 2.653 532 L HA 0.338 4.679 4.340 0.001 0.000 0.231 532 L C 0.634 177.392 176.870 -0.186 0.000 1.153 532 L CA -0.036 54.497 54.840 -0.511 0.000 0.933 532 L CB -0.389 41.075 42.059 -0.991 0.000 1.175 532 L HN 0.176 nan 8.230 nan 0.000 0.473 533 G N 0.302 109.042 108.800 -0.099 0.000 2.381 533 G HA2 -0.166 3.794 3.960 0.001 0.000 0.672 533 G HA3 -0.166 3.794 3.960 0.001 0.000 0.672 533 G C 0.006 174.634 174.900 -0.453 0.000 1.324 533 G CA -0.265 44.712 45.100 -0.205 0.000 0.975 533 G HN 0.053 nan 8.290 nan 0.000 0.593 534 R N 0.192 120.077 120.500 -1.024 0.000 2.105 534 R HA 0.108 4.449 4.340 0.001 0.000 0.239 534 R C 2.971 179.143 176.300 -0.213 0.000 1.135 534 R CA 3.212 58.806 56.100 -0.843 0.000 0.967 534 R CB -0.721 28.986 30.300 -0.989 0.000 0.861 534 R HN 1.398 nan 8.270 nan 0.000 0.442 535 A N 0.024 122.763 122.820 -0.135 0.000 2.019 535 A HA -0.194 4.127 4.320 0.001 0.000 0.219 535 A C 2.072 179.722 177.584 0.111 0.000 1.164 535 A CA 1.208 53.237 52.037 -0.013 0.000 0.644 535 A CB -1.247 17.760 19.000 0.011 0.000 0.805 535 A HN 0.723 nan 8.150 nan 0.000 0.449 536 W N -0.849 120.415 121.300 -0.060 0.000 2.364 536 W HA -0.253 4.408 4.660 0.001 0.000 0.281 536 W C 1.795 178.360 176.519 0.076 0.000 1.219 536 W CA 1.960 59.311 57.345 0.009 0.000 1.220 536 W CB -0.098 29.376 29.460 0.025 0.000 1.127 536 W HN 0.593 nan 8.180 nan 0.000 0.556 537 Y N 0.689 121.029 120.300 0.067 0.000 2.265 537 Y HA 0.054 4.605 4.550 0.001 0.000 0.290 537 Y C 2.318 178.177 175.900 -0.069 0.000 1.137 537 Y CA 1.776 59.858 58.100 -0.030 0.000 1.147 537 Y CB -0.930 37.544 38.460 0.023 0.000 1.104 537 Y HN -0.164 nan 8.280 nan 0.000 0.514 538 E N 0.213 120.173 120.200 -0.400 0.000 2.150 538 E HA -0.122 4.229 4.350 0.001 0.000 0.193 538 E C 2.037 178.456 176.600 -0.303 0.000 0.985 538 E CA 1.726 57.770 56.400 -0.594 0.000 0.814 538 E CB 0.022 29.547 29.700 -0.293 0.000 0.752 538 E HN 0.548 nan 8.360 nan 0.000 0.466 539 I N -0.503 119.965 120.570 -0.171 0.000 3.039 539 I HA 0.025 4.196 4.170 0.001 0.000 0.270 539 I C 2.437 178.479 176.117 -0.124 0.000 1.150 539 I CA 0.449 61.685 61.300 -0.107 0.000 1.448 539 I CB -0.080 37.886 38.000 -0.056 0.000 1.197 539 I HN 0.064 nan 8.210 nan 0.000 0.450 540 G N 1.144 109.854 108.800 -0.149 0.000 2.418 540 G HA2 0.055 4.016 3.960 0.001 0.000 0.217 540 G HA3 0.055 4.016 3.960 0.001 0.000 0.217 540 G C 0.712 175.463 174.900 -0.248 0.000 1.158 540 G CA 0.862 45.811 45.100 -0.250 0.000 0.771 540 G HN 0.450 nan 8.290 nan 0.000 0.545 541 A N -0.278 122.422 122.820 -0.199 0.000 2.893 541 A HA 0.597 4.918 4.320 0.001 0.000 0.298 541 A C -0.338 177.167 177.584 -0.131 0.000 1.227 541 A CA -0.318 51.612 52.037 -0.178 0.000 0.845 541 A CB 0.290 19.141 19.000 -0.250 0.000 1.430 541 A HN 0.560 nan 8.150 nan 0.000 0.493 542 K N 0.004 120.321 120.400 -0.137 0.000 2.617 542 K HA 0.698 5.019 4.320 0.001 0.000 0.293 542 K C 0.044 176.647 176.600 0.006 0.000 1.034 542 K CA -0.797 55.385 56.287 -0.174 0.000 0.884 542 K CB 0.696 32.899 32.500 -0.495 0.000 1.541 542 K HN 0.444 nan 8.250 nan 0.000 0.409 543 Y N -0.481 119.846 120.300 0.044 0.000 2.790 543 Y HA -0.389 4.161 4.550 0.001 0.000 0.466 543 Y C 1.387 177.316 175.900 0.048 0.000 1.130 543 Y CA 1.814 59.989 58.100 0.125 0.000 2.703 543 Y CB -1.253 37.266 38.460 0.098 0.000 1.159 543 Y HN 0.549 nan 8.280 nan 0.000 0.625 544 L N 0.469 121.707 121.223 0.025 0.000 2.627 544 L HA 0.114 4.454 4.340 0.001 0.000 0.232 544 L C 1.395 177.974 176.870 -0.486 0.000 1.150 544 L CA 1.031 55.448 54.840 -0.706 0.000 0.917 544 L CB -0.602 41.143 42.059 -0.523 0.000 1.104 544 L HN 0.737 nan 8.230 nan 0.000 0.445 545 T N -5.913 108.583 114.554 -0.095 0.000 3.040 545 T HA 0.045 4.395 4.350 0.001 0.000 0.266 545 T C 1.566 176.302 174.700 0.060 0.000 1.005 545 T CA -0.321 61.787 62.100 0.013 0.000 0.906 545 T CB 0.333 69.172 68.868 -0.047 0.000 1.082 545 T HN -0.085 nan 8.240 nan 0.000 0.531 546 K N 2.460 122.951 120.400 0.152 0.000 2.127 546 K HA -0.045 4.275 4.320 0.001 0.000 0.208 546 K C 2.226 178.555 176.600 -0.451 0.000 1.047 546 K CA 1.400 57.646 56.287 -0.068 0.000 0.927 546 K CB -0.433 32.130 32.500 0.105 0.000 0.716 546 K HN 0.400 nan 8.250 nan 0.000 0.450 547 R N 0.165 120.552 120.500 -0.188 0.000 2.211 547 R HA -0.090 4.251 4.340 0.001 0.000 0.240 547 R C 1.734 177.837 176.300 -0.328 0.000 1.144 547 R CA 1.224 57.161 56.100 -0.271 0.000 0.992 547 R CB -0.417 29.903 30.300 0.033 0.000 0.869 547 R HN 0.298 nan 8.270 nan 0.000 0.462 548 N N -0.021 118.525 118.700 -0.257 0.000 2.205 548 N HA -0.130 4.611 4.740 0.001 0.000 0.186 548 N C 1.501 176.813 175.510 -0.330 0.000 1.015 548 N CA 1.608 54.517 53.050 -0.234 0.000 0.862 548 N CB -0.447 37.901 38.487 -0.232 0.000 0.986 548 N HN 0.178 nan 8.380 nan 0.000 0.429 549 T N 1.055 115.269 114.554 -0.567 0.000 2.635 549 T HA -0.139 4.212 4.350 0.001 0.000 0.267 549 T C 1.545 176.063 174.700 -0.304 0.000 1.040 549 T CA 1.350 63.130 62.100 -0.534 0.000 1.156 549 T CB -0.361 68.030 68.868 -0.795 0.000 0.863 549 T HN 0.168 nan 8.240 nan 0.000 0.430 550 F N 1.998 121.904 119.950 -0.074 0.000 2.128 550 F HA 0.020 4.548 4.527 0.001 0.000 0.295 550 F C 2.910 178.761 175.800 0.085 0.000 1.100 550 F CA 0.753 58.743 58.000 -0.016 0.000 1.260 550 F CB -1.417 37.530 39.000 -0.088 0.000 1.009 550 F HN 0.172 nan 8.300 nan 0.000 0.476 551 S N -0.494 115.299 115.700 0.155 0.000 2.406 551 S HA -0.129 4.342 4.470 0.001 0.000 0.228 551 S C 1.519 176.187 174.600 0.114 0.000 1.020 551 S CA 1.125 59.404 58.200 0.133 0.000 0.965 551 S CB -0.543 62.702 63.200 0.075 0.000 0.798 551 S HN 0.226 nan 8.310 nan 0.000 0.488 552 D N 1.040 121.482 120.400 0.070 0.000 2.144 552 D HA 0.010 4.651 4.640 0.001 0.000 0.199 552 D C 1.433 177.824 176.300 0.151 0.000 0.984 552 D CA 0.716 54.762 54.000 0.076 0.000 0.834 552 D CB -0.438 40.371 40.800 0.015 0.000 0.955 552 D HN 0.424 nan 8.370 nan 0.000 0.465 553 F N 0.995 120.986 119.950 0.068 0.000 2.146 553 F HA -0.052 4.475 4.527 0.001 0.000 0.298 553 F C 2.156 178.052 175.800 0.160 0.000 1.096 553 F CA 0.878 58.942 58.000 0.108 0.000 1.275 553 F CB -0.171 38.894 39.000 0.108 0.000 1.008 553 F HN -0.134 nan 8.300 nan 0.000 0.480 554 I N -0.023 120.724 120.570 0.296 0.000 2.226 554 I HA -0.334 3.837 4.170 0.001 0.000 0.245 554 I C 2.640 178.803 176.117 0.077 0.000 1.100 554 I CA 1.255 62.678 61.300 0.205 0.000 1.374 554 I CB -0.824 37.306 38.000 0.217 0.000 1.057 554 I HN 0.204 nan 8.210 nan 0.000 0.413 555 A N 0.616 123.484 122.820 0.080 0.000 1.933 555 A HA -0.184 4.136 4.320 0.001 0.000 0.218 555 A C 2.535 180.161 177.584 0.069 0.000 1.175 555 A CA 1.873 53.955 52.037 0.074 0.000 0.628 555 A CB -0.838 18.211 19.000 0.082 0.000 0.814 555 A HN 0.440 nan 8.150 nan 0.000 0.444 556 A N -0.034 122.783 122.820 -0.006 0.000 1.877 556 A HA 0.130 4.451 4.320 0.001 0.000 0.216 556 A C 2.550 180.118 177.584 -0.027 0.000 1.186 556 A CA 2.284 54.294 52.037 -0.045 0.000 0.620 556 A CB -1.168 17.712 19.000 -0.199 0.000 0.822 556 A HN 1.099 nan 8.150 nan 0.000 0.443 557 A N -0.256 122.474 122.820 -0.150 0.000 1.883 557 A HA -0.225 4.095 4.320 0.001 0.000 0.217 557 A C 1.945 179.482 177.584 -0.079 0.000 1.186 557 A CA 1.796 53.761 52.037 -0.120 0.000 0.624 557 A CB -0.676 18.258 19.000 -0.110 0.000 0.822 557 A HN 0.643 nan 8.150 nan 0.000 0.444 558 E N -1.463 118.713 120.200 -0.039 0.000 2.085 558 E HA -0.206 4.144 4.350 0.001 0.000 0.194 558 E C 1.781 178.377 176.600 -0.007 0.000 0.994 558 E CA 1.337 57.718 56.400 -0.032 0.000 0.801 558 E CB -0.312 29.392 29.700 0.007 0.000 0.743 558 E HN 0.716 nan 8.360 nan 0.000 0.453 559 F N 1.566 121.484 119.950 -0.053 0.000 2.095 559 F HA -0.219 4.309 4.527 0.001 0.000 0.298 559 F C 1.955 177.727 175.800 -0.046 0.000 1.104 559 F CA 1.393 59.374 58.000 -0.032 0.000 1.232 559 F CB -0.199 38.793 39.000 -0.013 0.000 0.987 559 F HN -0.089 nan 8.300 nan 0.000 0.475 560 L N -0.656 120.490 121.223 -0.130 0.000 2.093 560 L HA -0.199 4.142 4.340 0.001 0.000 0.208 560 L C 2.337 179.052 176.870 -0.258 0.000 1.085 560 L CA 0.898 55.614 54.840 -0.206 0.000 0.755 560 L CB -0.710 41.326 42.059 -0.039 0.000 0.904 560 L HN 0.067 nan 8.230 nan 0.000 0.435 561 V N -0.136 119.656 119.914 -0.202 0.000 2.323 561 V HA -0.221 3.900 4.120 0.001 0.000 0.244 561 V C 2.125 178.099 176.094 -0.200 0.000 1.041 561 V CA 1.717 63.909 62.300 -0.179 0.000 1.025 561 V CB -0.605 31.126 31.823 -0.152 0.000 0.656 561 V HN 0.467 nan 8.190 nan 0.000 0.451 562 N N 0.810 119.376 118.700 -0.223 0.000 2.244 562 N HA -0.060 4.681 4.740 0.001 0.000 0.183 562 N C 1.649 177.004 175.510 -0.259 0.000 1.016 562 N CA 1.472 54.404 53.050 -0.196 0.000 0.866 562 N CB -0.425 37.978 38.487 -0.139 0.000 0.980 562 N HN 0.491 nan 8.380 nan 0.000 0.430 563 A N 0.628 123.179 122.820 -0.448 0.000 2.235 563 A HA 0.035 4.355 4.320 0.001 0.000 0.208 563 A C 0.629 178.052 177.584 -0.268 0.000 1.172 563 A CA 0.279 52.051 52.037 -0.441 0.000 0.786 563 A CB -0.277 18.232 19.000 -0.818 0.000 0.804 563 A HN 0.299 nan 8.150 nan 0.000 0.479 564 K N -2.177 118.091 120.400 -0.221 0.000 3.281 564 K HA -0.201 4.119 4.320 0.001 0.000 0.295 564 K C 0.576 177.088 176.600 -0.147 0.000 1.233 564 K CA 0.917 57.115 56.287 -0.149 0.000 0.866 564 K CB -2.237 30.197 32.500 -0.111 0.000 1.265 564 K HN 0.514 nan 8.250 nan 0.000 0.482 565 L N -0.285 120.829 121.223 -0.183 0.000 2.156 565 L HA -0.056 4.284 4.340 0.001 0.000 0.208 565 L C 1.421 178.221 176.870 -0.117 0.000 1.095 565 L CA 1.468 56.217 54.840 -0.153 0.000 0.770 565 L CB 0.085 42.054 42.059 -0.149 0.000 0.914 565 L HN 0.395 nan 8.230 nan 0.000 0.439 566 T N -2.241 112.246 114.554 -0.112 0.000 2.648 566 T HA 0.464 4.815 4.350 0.001 0.000 0.304 566 T C -1.133 173.513 174.700 -0.091 0.000 1.312 566 T CA -0.043 62.007 62.100 -0.082 0.000 1.023 566 T CB 1.649 70.479 68.868 -0.062 0.000 1.612 566 T HN 0.133 nan 8.240 nan 0.000 0.487 567 T N -0.653 113.855 114.554 -0.078 0.000 2.864 567 T HA 0.602 4.953 4.350 0.001 0.000 0.299 567 T C -2.443 172.202 174.700 -0.093 0.000 1.166 567 T CA -1.497 60.552 62.100 -0.086 0.000 1.007 567 T CB 1.395 70.223 68.868 -0.066 0.000 1.219 567 T HN 0.279 nan 8.240 nan 0.000 0.506 568 P HA -0.047 nan 4.420 nan 0.000 0.216 568 P C 1.552 178.809 177.300 -0.073 0.000 1.150 568 P CA 1.020 64.036 63.100 -0.141 0.000 0.843 568 P CB -0.049 31.558 31.700 -0.154 0.000 0.787 569 S N -1.107 114.564 115.700 -0.049 0.000 2.507 569 S HA -0.094 4.376 4.470 0.001 0.000 0.235 569 S C 1.396 175.995 174.600 -0.002 0.000 0.988 569 S CA 0.982 59.171 58.200 -0.019 0.000 0.944 569 S CB -0.550 62.639 63.200 -0.018 0.000 0.762 569 S HN 0.374 nan 8.310 nan 0.000 0.526 570 Q N -0.101 119.694 119.800 -0.009 0.000 2.171 570 Q HA 0.328 4.668 4.340 0.001 0.000 0.218 570 Q C -0.788 175.223 176.000 0.020 0.000 0.822 570 Q CA -0.173 55.633 55.803 0.004 0.000 0.987 570 Q CB 0.649 29.381 28.738 -0.010 0.000 1.144 570 Q HN 0.254 nan 8.270 nan 0.000 0.494 571 L N 0.789 122.032 121.223 0.032 0.000 2.313 571 L HA 0.718 5.059 4.340 0.001 0.000 0.283 571 L C -1.046 175.951 176.870 0.213 0.000 1.013 571 L CA -0.507 54.385 54.840 0.087 0.000 0.816 571 L CB 1.273 43.349 42.059 0.028 0.000 1.236 571 L HN -0.030 nan 8.230 nan 0.000 0.419 572 A N 4.001 126.943 122.820 0.202 0.000 2.330 572 A HA 0.861 5.182 4.320 0.001 0.000 0.329 572 A C -0.723 177.011 177.584 0.249 0.000 1.135 572 A CA -0.173 51.992 52.037 0.214 0.000 0.817 572 A CB 1.026 20.078 19.000 0.085 0.000 1.269 572 A HN 1.046 nan 8.150 nan 0.000 0.469 573 C N 0.376 119.752 119.300 0.127 0.000 2.898 573 C HA 0.959 5.419 4.460 0.001 0.000 0.304 573 C C -0.837 174.170 174.990 0.029 0.000 1.237 573 C CA -0.651 58.406 59.018 0.065 0.000 1.529 573 C CB 0.876 28.456 27.740 -0.266 0.000 2.021 573 C HN 1.129 nan 8.230 nan 0.000 0.474 574 E N 1.367 121.592 120.200 0.042 0.000 2.413 574 E HA 0.817 5.168 4.350 0.001 0.000 0.277 574 E C -0.665 175.781 176.600 -0.258 0.000 0.958 574 E CA -0.657 55.737 56.400 -0.011 0.000 0.779 574 E CB 2.093 31.910 29.700 0.195 0.000 1.278 574 E HN 1.629 nan 8.360 nan 0.000 0.456 575 G N 0.803 109.461 108.800 -0.236 0.000 2.579 575 G HA2 0.539 4.500 3.960 0.001 0.000 0.292 575 G HA3 0.539 4.500 3.960 0.001 0.000 0.292 575 G C -1.628 173.201 174.900 -0.119 0.000 1.484 575 G CA -1.064 43.828 45.100 -0.347 0.000 0.813 575 G HN 0.698 nan 8.290 nan 0.000 0.515 576 R N -0.072 120.433 120.500 0.009 0.000 2.744 576 R HA 0.866 5.207 4.340 0.001 0.000 0.279 576 R C 0.521 176.914 176.300 0.154 0.000 0.977 576 R CA 0.056 56.191 56.100 0.059 0.000 0.906 576 R CB 1.719 32.067 30.300 0.079 0.000 1.197 576 R HN 1.493 nan 8.270 nan 0.000 0.463 577 S N 1.078 116.833 115.700 0.093 0.000 4.140 577 S HA -0.386 4.084 4.470 0.001 0.000 0.618 577 S C 1.423 176.100 174.600 0.128 0.000 1.896 577 S CA 1.747 60.071 58.200 0.206 0.000 4.240 577 S CB -1.699 61.760 63.200 0.432 0.000 0.208 577 S HN 1.189 nan 8.310 nan 0.000 0.487 578 A N 1.172 124.062 122.820 0.116 0.000 2.015 578 A HA 0.251 4.571 4.320 0.001 0.000 0.219 578 A C 2.467 179.877 177.584 -0.290 0.000 1.163 578 A CA 2.155 54.139 52.037 -0.089 0.000 0.646 578 A CB -1.467 17.416 19.000 -0.196 0.000 0.806 578 A HN 1.649 nan 8.150 nan 0.000 0.448 579 G N -0.657 107.976 108.800 -0.280 0.000 2.471 579 G HA2 0.078 4.039 3.960 0.001 0.000 0.219 579 G HA3 0.078 4.039 3.960 0.001 0.000 0.219 579 G C 1.342 176.111 174.900 -0.218 0.000 1.125 579 G CA 1.098 46.084 45.100 -0.190 0.000 0.775 579 G HN 0.645 nan 8.290 nan 0.000 0.548 580 G N 0.680 109.383 108.800 -0.161 0.000 2.430 580 G HA2 -0.016 3.945 3.960 0.001 0.000 0.216 580 G HA3 -0.016 3.945 3.960 0.001 0.000 0.216 580 G C 1.652 176.324 174.900 -0.380 0.000 1.146 580 G CA 0.800 45.756 45.100 -0.240 0.000 0.793 580 G HN 0.390 nan 8.290 nan 0.000 0.537 581 L N 0.607 121.635 121.223 -0.325 0.000 2.012 581 L HA -0.003 4.337 4.340 0.001 0.000 0.210 581 L C 2.500 179.107 176.870 -0.438 0.000 1.073 581 L CA 1.794 56.368 54.840 -0.444 0.000 0.748 581 L CB -0.690 41.157 42.059 -0.354 0.000 0.891 581 L HN 0.186 nan 8.230 nan 0.000 0.431 582 L N -0.753 120.317 121.223 -0.255 0.000 1.990 582 L HA -0.251 4.090 4.340 0.001 0.000 0.213 582 L C 2.380 179.003 176.870 -0.413 0.000 1.072 582 L CA 2.208 56.918 54.840 -0.217 0.000 0.755 582 L CB -0.675 41.217 42.059 -0.278 0.000 0.889 582 L HN 0.304 nan 8.230 nan 0.000 0.432 583 M N -0.389 118.961 119.600 -0.417 0.000 2.086 583 M HA -0.100 4.381 4.480 0.001 0.000 0.261 583 M C 2.333 178.489 176.300 -0.239 0.000 1.067 583 M CA 1.744 56.840 55.300 -0.340 0.000 1.116 583 M CB -2.191 30.275 32.600 -0.223 0.000 1.348 583 M HN 0.478 nan 8.290 nan 0.000 0.407 584 G N -0.356 108.210 108.800 -0.390 0.000 2.422 584 G HA2 -0.043 3.918 3.960 0.001 0.000 0.218 584 G HA3 -0.043 3.918 3.960 0.001 0.000 0.218 584 G C 1.659 176.410 174.900 -0.248 0.000 1.146 584 G CA 1.216 46.106 45.100 -0.350 0.000 0.769 584 G HN 0.548 nan 8.290 nan 0.000 0.547 585 A N 0.571 123.098 122.820 -0.488 0.000 1.854 585 A HA 0.108 4.428 4.320 0.001 0.000 0.214 585 A C 2.687 180.107 177.584 -0.273 0.000 1.192 585 A CA 2.286 53.978 52.037 -0.575 0.000 0.611 585 A CB -0.881 17.211 19.000 -1.515 0.000 0.832 585 A HN 0.893 nan 8.150 nan 0.000 0.442 586 V N -1.589 118.204 119.914 -0.201 0.000 2.626 586 V HA -0.124 3.997 4.120 0.001 0.000 0.252 586 V C 2.168 178.331 176.094 0.115 0.000 1.067 586 V CA 1.823 64.143 62.300 0.033 0.000 1.081 586 V CB -0.914 30.987 31.823 0.131 0.000 0.686 586 V HN 0.419 nan 8.190 nan 0.000 0.468 587 L N 0.774 122.050 121.223 0.088 0.000 2.131 587 L HA -0.088 4.253 4.340 0.001 0.000 0.210 587 L C 2.660 179.694 176.870 0.273 0.000 1.092 587 L CA 1.735 56.720 54.840 0.242 0.000 0.759 587 L CB -0.785 41.486 42.059 0.353 0.000 0.903 587 L HN 0.381 nan 8.230 nan 0.000 0.435 588 N N -0.391 118.441 118.700 0.220 0.000 2.207 588 N HA -0.070 4.670 4.740 0.001 0.000 0.182 588 N C 1.872 177.403 175.510 0.035 0.000 1.020 588 N CA 1.281 54.428 53.050 0.161 0.000 0.858 588 N CB -0.092 38.469 38.487 0.124 0.000 0.991 588 N HN 0.326 nan 8.380 nan 0.000 0.427 589 M N -0.097 119.530 119.600 0.046 0.000 2.134 589 M HA 0.038 4.519 4.480 0.001 0.000 0.262 589 M C 0.192 176.527 176.300 0.059 0.000 1.076 589 M CA 1.214 56.542 55.300 0.046 0.000 1.143 589 M CB 0.306 32.947 32.600 0.069 0.000 1.346 589 M HN -0.160 nan 8.290 nan 0.000 0.421 590 R N -0.093 120.482 120.500 0.125 0.000 2.701 590 R HA 0.261 4.602 4.340 0.001 0.000 0.281 590 R C -2.215 174.202 176.300 0.196 0.000 1.367 590 R CA -1.329 54.847 56.100 0.127 0.000 1.510 590 R CB -0.257 30.133 30.300 0.150 0.000 1.306 590 R HN 0.140 nan 8.270 nan 0.000 0.682 591 P HA -0.141 nan 4.420 nan 0.000 0.225 591 P C 0.589 177.939 177.300 0.083 0.000 1.148 591 P CA 1.030 64.222 63.100 0.153 0.000 0.779 591 P CB 0.255 31.880 31.700 -0.126 0.000 0.780 592 D N 0.181 120.567 120.400 -0.025 0.000 2.310 592 D HA -0.120 4.521 4.640 0.001 0.000 0.212 592 D C 1.815 178.014 176.300 -0.167 0.000 0.965 592 D CA 0.625 54.579 54.000 -0.077 0.000 0.879 592 D CB -0.821 39.931 40.800 -0.080 0.000 0.921 592 D HN 0.260 nan 8.370 nan 0.000 0.510 593 L N -1.144 119.879 121.223 -0.335 0.000 2.492 593 L HA 0.110 4.451 4.340 0.001 0.000 0.223 593 L C 0.120 176.427 176.870 -0.937 0.000 1.132 593 L CA 0.321 54.710 54.840 -0.751 0.000 0.850 593 L CB -0.042 41.339 42.059 -1.132 0.000 0.966 593 L HN -0.140 nan 8.230 nan 0.000 0.454 594 F N -1.684 118.284 119.950 0.030 0.000 2.540 594 F HA 0.307 4.835 4.527 0.001 0.000 0.317 594 F C 0.851 176.665 175.800 0.024 0.000 1.104 594 F CA -1.042 56.983 58.000 0.042 0.000 0.913 594 F CB 1.525 40.577 39.000 0.087 0.000 1.170 594 F HN -0.400 nan 8.300 nan 0.000 0.450 595 K N 1.124 121.631 120.400 0.179 0.000 2.186 595 K HA 0.264 4.585 4.320 0.001 0.000 0.202 595 K C -0.552 176.091 176.600 0.070 0.000 1.052 595 K CA 0.866 57.208 56.287 0.091 0.000 0.965 595 K CB 0.380 32.915 32.500 0.059 0.000 0.746 595 K HN 0.450 nan 8.250 nan 0.000 0.457 596 V N -1.008 118.987 119.914 0.136 0.000 3.147 596 V HA 0.731 4.852 4.120 0.001 0.000 0.299 596 V C -2.110 174.089 176.094 0.175 0.000 1.302 596 V CA -0.284 62.071 62.300 0.091 0.000 1.015 596 V CB 1.887 33.716 31.823 0.011 0.000 1.086 596 V HN 0.184 nan 8.190 nan 0.000 0.437 597 A N 5.388 128.332 122.820 0.208 0.000 2.515 597 A HA 0.925 5.246 4.320 0.001 0.000 0.298 597 A C -1.844 175.867 177.584 0.211 0.000 1.059 597 A CA -0.648 51.473 52.037 0.139 0.000 0.698 597 A CB 1.898 20.928 19.000 0.049 0.000 1.289 597 A HN 0.966 nan 8.150 nan 0.000 0.404 598 L N 1.274 122.590 121.223 0.155 0.000 2.333 598 L HA 0.727 5.068 4.340 0.001 0.000 0.280 598 L C 0.190 177.105 176.870 0.075 0.000 1.004 598 L CA -0.592 54.333 54.840 0.141 0.000 0.820 598 L CB 2.027 44.199 42.059 0.189 0.000 1.247 598 L HN 0.843 nan 8.230 nan 0.000 0.416 599 A N 2.527 125.395 122.820 0.080 0.000 2.360 599 A HA 0.715 5.035 4.320 0.001 0.000 0.309 599 A C 0.072 177.670 177.584 0.024 0.000 1.311 599 A CA -0.401 51.671 52.037 0.058 0.000 0.805 599 A CB 0.937 20.063 19.000 0.211 0.000 1.144 599 A HN 0.742 nan 8.150 nan 0.000 0.486 600 G N 0.923 109.713 108.800 -0.018 0.000 2.356 600 G HA2 0.581 4.542 3.960 0.001 0.000 0.298 600 G HA3 0.581 4.542 3.960 0.001 0.000 0.298 600 G C 0.561 175.406 174.900 -0.091 0.000 1.145 600 G CA 0.157 45.224 45.100 -0.054 0.000 0.850 600 G HN 2.158 nan 8.290 nan 0.000 0.487 601 V N -0.711 119.128 119.914 -0.125 0.000 5.562 601 V HA -0.126 3.995 4.120 0.001 0.000 0.232 601 V C -2.243 173.811 176.094 -0.066 0.000 0.694 601 V CA 0.012 62.233 62.300 -0.132 0.000 0.574 601 V CB -2.117 29.521 31.823 -0.308 0.000 0.230 601 V HN 0.664 nan 8.190 nan 0.000 0.568 602 P HA 0.399 nan 4.420 nan 0.000 0.294 602 P C -0.563 176.631 177.300 -0.176 0.000 1.294 602 P CA -0.660 62.340 63.100 -0.166 0.000 0.827 602 P CB 1.649 33.177 31.700 -0.287 0.000 0.992 603 F N 5.812 125.570 119.950 -0.320 0.000 2.464 603 F HA 0.170 4.698 4.527 0.001 0.000 0.353 603 F C 0.665 176.180 175.800 -0.475 0.000 1.191 603 F CA -0.517 57.280 58.000 -0.338 0.000 1.147 603 F CB -0.215 38.625 39.000 -0.266 0.000 1.294 603 F HN 0.126 nan 8.300 nan 0.000 0.583 604 V N 0.878 120.388 119.914 -0.673 0.000 3.562 604 V HA 0.258 4.378 4.120 0.001 0.000 0.270 604 V C 0.438 176.121 176.094 -0.685 0.000 1.418 604 V CA 0.311 62.081 62.300 -0.884 0.000 1.033 604 V CB 0.170 31.247 31.823 -1.244 0.000 0.820 604 V HN 0.489 nan 8.190 nan 0.000 0.441 605 D N 0.995 121.114 120.400 -0.469 0.000 3.057 605 D HA 0.298 4.939 4.640 0.001 0.000 0.246 605 D C 1.285 177.427 176.300 -0.263 0.000 1.238 605 D CA 0.250 54.100 54.000 -0.250 0.000 0.949 605 D CB 0.517 41.278 40.800 -0.065 0.000 1.086 605 D HN 0.129 nan 8.370 nan 0.000 0.487 606 V N 1.205 120.826 119.914 -0.489 0.000 2.358 606 V HA -0.231 3.889 4.120 0.001 0.000 0.246 606 V C 2.318 178.308 176.094 -0.173 0.000 1.047 606 V CA 1.238 63.215 62.300 -0.537 0.000 1.035 606 V CB -0.304 31.077 31.823 -0.738 0.000 0.658 606 V HN 0.505 nan 8.190 nan 0.000 0.452 607 M N -0.504 118.995 119.600 -0.167 0.000 2.098 607 M HA -0.100 4.381 4.480 0.001 0.000 0.262 607 M C 2.324 178.665 176.300 0.068 0.000 1.072 607 M CA 1.922 57.182 55.300 -0.067 0.000 1.133 607 M CB -1.718 30.805 32.600 -0.128 0.000 1.344 607 M HN 0.331 nan 8.290 nan 0.000 0.414 608 T N 0.517 115.122 114.554 0.086 0.000 2.867 608 T HA -0.093 4.257 4.350 0.001 0.000 0.268 608 T C 1.888 176.728 174.700 0.234 0.000 1.057 608 T CA 1.766 63.981 62.100 0.192 0.000 1.136 608 T CB -0.239 68.758 68.868 0.216 0.000 0.874 608 T HN 0.386 nan 8.240 nan 0.000 0.466 609 T N 1.972 116.651 114.554 0.209 0.000 2.770 609 T HA 0.061 4.412 4.350 0.001 0.000 0.263 609 T C 1.900 176.769 174.700 0.283 0.000 1.039 609 T CA 0.783 63.039 62.100 0.260 0.000 1.142 609 T CB -0.165 68.878 68.868 0.293 0.000 0.868 609 T HN 0.155 nan 8.240 nan 0.000 0.435 610 M N 1.600 121.384 119.600 0.307 0.000 2.476 610 M HA 0.039 4.519 4.480 0.001 0.000 0.262 610 M C 2.596 179.203 176.300 0.511 0.000 1.079 610 M CA 0.519 56.072 55.300 0.421 0.000 1.104 610 M CB -1.494 31.369 32.600 0.437 0.000 1.409 610 M HN 0.554 nan 8.290 nan 0.000 0.467 611 C N -1.145 118.371 119.300 0.361 0.000 2.481 611 C HA 0.095 4.555 4.460 0.001 0.000 0.275 611 C C 0.902 176.133 174.990 0.401 0.000 1.419 611 C CA -0.412 58.814 59.018 0.347 0.000 1.773 611 C CB -0.816 27.064 27.740 0.234 0.000 1.862 611 C HN 0.371 nan 8.230 nan 0.000 0.530 612 D N 1.880 122.493 120.400 0.355 0.000 2.460 612 D HA 0.325 4.965 4.640 0.001 0.000 0.232 612 D C -1.646 174.784 176.300 0.217 0.000 1.079 612 D CA -2.205 51.963 54.000 0.280 0.000 0.864 612 D CB 1.573 42.528 40.800 0.258 0.000 1.048 612 D HN 0.163 nan 8.370 nan 0.000 0.523 613 P HA -0.054 nan 4.420 nan 0.000 0.242 613 P C 0.934 178.256 177.300 0.035 0.000 1.197 613 P CA 0.348 63.470 63.100 0.037 0.000 0.765 613 P CB 0.114 31.858 31.700 0.073 0.000 0.936 614 S N -1.088 114.668 115.700 0.092 0.000 2.561 614 S HA 0.046 4.517 4.470 0.001 0.000 0.225 614 S C 0.866 175.521 174.600 0.093 0.000 0.977 614 S CA -0.117 58.135 58.200 0.086 0.000 0.926 614 S CB -0.942 62.319 63.200 0.103 0.000 0.769 614 S HN 0.050 nan 8.310 nan 0.000 0.533 615 I N 2.457 123.086 120.570 0.099 0.000 2.385 615 I HA 0.379 4.550 4.170 0.001 0.000 0.294 615 I C -2.534 173.597 176.117 0.024 0.000 0.988 615 I CA -2.949 58.422 61.300 0.118 0.000 1.265 615 I CB 1.245 39.355 38.000 0.183 0.000 1.388 615 I HN -0.093 nan 8.210 nan 0.000 0.480 616 P HA 0.072 nan 4.420 nan 0.000 0.264 616 P C 0.440 177.683 177.300 -0.095 0.000 1.183 616 P CA 0.344 63.417 63.100 -0.045 0.000 0.763 616 P CB 0.358 32.029 31.700 -0.048 0.000 0.807 617 L N -0.237 120.918 121.223 -0.113 0.000 4.342 617 L HA -0.325 4.015 4.340 0.001 0.000 0.395 617 L C 1.765 178.528 176.870 -0.178 0.000 0.764 617 L CA 1.554 56.308 54.840 -0.144 0.000 2.417 617 L CB -2.400 39.562 42.059 -0.162 0.000 1.210 617 L HN 0.339 nan 8.230 nan 0.000 0.626 618 T N -0.405 114.041 114.554 -0.179 0.000 2.607 618 T HA -0.232 4.119 4.350 0.001 0.000 0.267 618 T C 1.645 175.957 174.700 -0.646 0.000 1.049 618 T CA 2.560 64.509 62.100 -0.252 0.000 1.162 618 T CB -0.262 68.514 68.868 -0.152 0.000 0.863 618 T HN 0.515 nan 8.240 nan 0.000 0.424 619 T N 0.878 114.971 114.554 -0.767 0.000 2.788 619 T HA -0.013 4.338 4.350 0.001 0.000 0.268 619 T C 2.192 176.506 174.700 -0.642 0.000 1.044 619 T CA 1.216 62.588 62.100 -1.213 0.000 1.139 619 T CB -0.781 67.624 68.868 -0.770 0.000 0.867 619 T HN 0.524 nan 8.240 nan 0.000 0.454 620 G N 1.063 109.654 108.800 -0.350 0.000 2.448 620 G HA2 -0.156 3.805 3.960 0.001 0.000 0.219 620 G HA3 -0.156 3.805 3.960 0.001 0.000 0.219 620 G C 1.308 176.098 174.900 -0.183 0.000 1.127 620 G CA 0.365 45.339 45.100 -0.211 0.000 0.766 620 G HN 0.498 nan 8.290 nan 0.000 0.552 621 E N -0.460 119.619 120.200 -0.201 0.000 2.489 621 E HA 0.003 4.354 4.350 0.001 0.000 0.193 621 E C 1.549 178.143 176.600 -0.010 0.000 1.057 621 E CA -0.456 55.845 56.400 -0.165 0.000 0.866 621 E CB 0.011 29.699 29.700 -0.020 0.000 0.916 621 E HN 0.519 nan 8.360 nan 0.000 0.500 622 W N 1.320 122.597 121.300 -0.038 0.000 2.421 622 W HA -0.097 4.564 4.660 0.001 0.000 0.270 622 W C 1.199 177.683 176.519 -0.059 0.000 1.233 622 W CA 0.668 57.994 57.345 -0.031 0.000 1.226 622 W CB -0.200 29.269 29.460 0.016 0.000 1.121 622 W HN 0.148 nan 8.180 nan 0.000 0.579 623 E N -0.563 119.697 120.200 0.100 0.000 2.444 623 E HA -0.033 4.318 4.350 0.001 0.000 0.191 623 E C 1.346 177.685 176.600 -0.435 0.000 1.041 623 E CA 0.080 56.493 56.400 0.022 0.000 0.883 623 E CB 0.484 30.204 29.700 0.034 0.000 1.024 623 E HN 0.121 nan 8.360 nan 0.000 0.470 624 E N -0.208 119.633 120.200 -0.599 0.000 2.176 624 E HA -0.010 4.341 4.350 0.001 0.000 0.194 624 E C 0.977 177.014 176.600 -0.939 0.000 0.947 624 E CA 0.640 56.463 56.400 -0.962 0.000 0.960 624 E CB -0.177 28.729 29.700 -1.324 0.000 1.002 624 E HN 0.205 nan 8.360 nan 0.000 0.479 625 W N 0.631 121.864 121.300 -0.112 0.000 2.640 625 W HA 0.521 5.182 4.660 0.001 0.000 0.268 625 W C 0.869 177.386 176.519 -0.004 0.000 1.263 625 W CA 0.294 57.668 57.345 0.048 0.000 1.344 625 W CB 0.192 29.799 29.460 0.245 0.000 1.093 625 W HN 0.359 nan 8.180 nan 0.000 0.603 626 G N 0.908 109.693 108.800 -0.024 0.000 2.479 626 G HA2 -0.130 3.831 3.960 0.001 0.000 0.686 626 G HA3 -0.130 3.831 3.960 0.001 0.000 0.686 626 G C -1.679 173.070 174.900 -0.252 0.000 1.295 626 G CA -0.832 43.825 45.100 -0.738 0.000 0.922 626 G HN 0.067 nan 8.290 nan 0.000 0.582 627 N N 1.031 119.452 118.700 -0.465 0.000 2.518 627 N HA 0.547 5.287 4.740 0.001 0.000 0.254 627 N C -1.133 174.361 175.510 -0.028 0.000 0.979 627 N CA -2.229 50.593 53.050 -0.379 0.000 0.930 627 N CB 2.301 40.252 38.487 -0.893 0.000 1.152 627 N HN 0.228 nan 8.380 nan 0.000 0.505 628 P HA 0.022 nan 4.420 nan 0.000 0.242 628 P C 0.095 177.495 177.300 0.167 0.000 1.197 628 P CA 0.420 63.637 63.100 0.195 0.000 0.765 628 P CB 0.419 32.209 31.700 0.149 0.000 0.936 629 N N 0.400 119.093 118.700 -0.012 0.000 2.571 629 N HA -0.027 4.714 4.740 0.001 0.000 0.189 629 N C 0.336 175.748 175.510 -0.164 0.000 1.154 629 N CA 0.724 53.719 53.050 -0.091 0.000 0.907 629 N CB 0.210 38.594 38.487 -0.171 0.000 0.977 629 N HN 0.469 nan 8.380 nan 0.000 0.449 630 E N -0.597 119.557 120.200 -0.078 0.000 2.195 630 E HA 0.164 4.514 4.350 0.001 0.000 0.271 630 E C 0.107 176.670 176.600 -0.063 0.000 0.923 630 E CA -0.687 55.643 56.400 -0.117 0.000 0.790 630 E CB 0.936 30.655 29.700 0.031 0.000 1.155 630 E HN 0.025 nan 8.360 nan 0.000 0.402 631 Y N 1.762 122.054 120.300 -0.014 0.000 2.193 631 Y HA -0.282 4.269 4.550 0.001 0.000 0.285 631 Y C 2.334 178.208 175.900 -0.045 0.000 1.166 631 Y CA 1.483 59.564 58.100 -0.031 0.000 1.181 631 Y CB -0.286 38.132 38.460 -0.070 0.000 0.976 631 Y HN 0.517 nan 8.280 nan 0.000 0.520 632 K N -0.898 119.497 120.400 -0.010 0.000 2.152 632 K HA -0.216 4.104 4.320 0.001 0.000 0.206 632 K C 0.950 177.280 176.600 -0.449 0.000 1.048 632 K CA 1.790 57.882 56.287 -0.326 0.000 0.933 632 K CB -0.239 31.882 32.500 -0.632 0.000 0.721 632 K HN 0.366 nan 8.250 nan 0.000 0.447 633 Y N -2.085 118.303 120.300 0.147 0.000 2.444 633 Y HA 0.046 4.597 4.550 0.001 0.000 0.252 633 Y C 1.646 177.684 175.900 0.230 0.000 1.091 633 Y CA -0.334 57.884 58.100 0.197 0.000 1.276 633 Y CB -0.306 38.263 38.460 0.181 0.000 1.170 633 Y HN 0.063 nan 8.280 nan 0.000 0.517 634 Y N 1.648 122.066 120.300 0.196 0.000 2.053 634 Y HA -0.336 4.215 4.550 0.001 0.000 0.277 634 Y C 2.495 178.460 175.900 0.108 0.000 1.159 634 Y CA 2.377 60.551 58.100 0.123 0.000 1.125 634 Y CB -0.366 38.135 38.460 0.068 0.000 0.969 634 Y HN 0.159 nan 8.280 nan 0.000 0.492 635 D N -1.313 119.276 120.400 0.314 0.000 2.117 635 D HA -0.272 4.369 4.640 0.001 0.000 0.197 635 D C 2.065 178.414 176.300 0.081 0.000 0.987 635 D CA 1.598 55.699 54.000 0.169 0.000 0.829 635 D CB -0.545 40.390 40.800 0.226 0.000 0.961 635 D HN 0.523 nan 8.370 nan 0.000 0.460 636 Y N 0.936 121.284 120.300 0.080 0.000 2.145 636 Y HA -0.136 4.415 4.550 0.001 0.000 0.286 636 Y C 2.634 178.543 175.900 0.015 0.000 1.145 636 Y CA 1.722 59.897 58.100 0.124 0.000 1.148 636 Y CB -0.254 38.338 38.460 0.220 0.000 0.981 636 Y HN -0.087 nan 8.280 nan 0.000 0.507 637 M N -1.047 118.569 119.600 0.027 0.000 2.159 637 M HA -0.170 4.310 4.480 0.001 0.000 0.263 637 M C 2.070 177.938 176.300 -0.720 0.000 1.063 637 M CA 1.366 56.374 55.300 -0.487 0.000 1.110 637 M CB -0.374 32.129 32.600 -0.161 0.000 1.374 637 M HN 0.375 nan 8.290 nan 0.000 0.411 638 L N 0.364 121.305 121.223 -0.470 0.000 2.201 638 L HA -0.125 4.216 4.340 0.001 0.000 0.212 638 L C 2.576 179.233 176.870 -0.354 0.000 1.105 638 L CA 1.912 56.488 54.840 -0.440 0.000 0.775 638 L CB -0.598 41.189 42.059 -0.454 0.000 0.913 638 L HN 0.349 nan 8.230 nan 0.000 0.440 639 S N -1.096 114.410 115.700 -0.322 0.000 2.447 639 S HA -0.189 4.282 4.470 0.001 0.000 0.233 639 S C 1.708 176.218 174.600 -0.149 0.000 1.006 639 S CA 1.130 59.212 58.200 -0.198 0.000 0.957 639 S CB -0.663 62.438 63.200 -0.166 0.000 0.773 639 S HN 0.704 nan 8.310 nan 0.000 0.507 640 Y N 0.026 120.184 120.300 -0.238 0.000 2.432 640 Y HA 0.533 5.084 4.550 0.001 0.000 0.252 640 Y C 0.757 176.434 175.900 -0.372 0.000 1.097 640 Y CA -0.519 57.410 58.100 -0.284 0.000 1.250 640 Y CB -0.569 37.777 38.460 -0.189 0.000 1.245 640 Y HN 0.168 nan 8.280 nan 0.000 0.522 641 S N 3.772 119.128 115.700 -0.575 0.000 2.737 641 S HA 0.017 4.488 4.470 0.001 0.000 0.315 641 S C -1.528 172.854 174.600 -0.363 0.000 1.236 641 S CA -0.658 57.236 58.200 -0.510 0.000 1.093 641 S CB 0.539 63.456 63.200 -0.472 0.000 0.832 641 S HN 0.222 nan 8.310 nan 0.000 0.507 642 P HA -0.103 nan 4.420 nan 0.000 0.216 642 P C 1.617 178.819 177.300 -0.163 0.000 1.153 642 P CA 0.814 63.707 63.100 -0.346 0.000 0.848 642 P CB 0.038 31.353 31.700 -0.641 0.000 0.787 643 M N -0.189 119.281 119.600 -0.216 0.000 2.108 643 M HA -0.164 4.316 4.480 0.001 0.000 0.261 643 M C 0.951 177.260 176.300 0.014 0.000 1.066 643 M CA 1.871 57.165 55.300 -0.011 0.000 1.107 643 M CB -0.998 31.564 32.600 -0.064 0.000 1.356 643 M HN -0.169 nan 8.290 nan 0.000 0.406 644 D N -0.896 119.462 120.400 -0.070 0.000 2.340 644 D HA 0.044 4.684 4.640 0.001 0.000 0.220 644 D C 0.481 176.759 176.300 -0.037 0.000 1.039 644 D CA 0.329 54.296 54.000 -0.054 0.000 0.866 644 D CB -0.134 40.595 40.800 -0.120 0.000 0.913 644 D HN 0.510 nan 8.370 nan 0.000 0.523 645 N N 0.452 119.139 118.700 -0.022 0.000 2.197 645 N HA 0.049 4.790 4.740 0.001 0.000 0.228 645 N C 0.005 175.573 175.510 0.096 0.000 1.212 645 N CA -0.021 53.037 53.050 0.013 0.000 0.883 645 N CB 2.150 40.621 38.487 -0.027 0.000 1.107 645 N HN -0.074 nan 8.380 nan 0.000 0.519 646 V N 2.901 122.891 119.914 0.127 0.000 2.617 646 V HA -0.007 4.114 4.120 0.001 0.000 0.304 646 V C 0.768 176.960 176.094 0.163 0.000 1.040 646 V CA 0.529 62.935 62.300 0.177 0.000 1.149 646 V CB 0.013 31.891 31.823 0.091 0.000 0.914 646 V HN 0.398 nan 8.190 nan 0.000 0.487 647 R N 3.812 124.460 120.500 0.247 0.000 2.795 647 R HA 0.814 5.154 4.340 0.001 0.000 0.268 647 R C -0.734 175.678 176.300 0.188 0.000 1.041 647 R CA -0.763 55.432 56.100 0.159 0.000 0.927 647 R CB 1.734 32.092 30.300 0.096 0.000 1.235 647 R HN 0.563 nan 8.270 nan 0.000 0.463 648 A N 1.737 124.621 122.820 0.107 0.000 2.797 648 A HA 0.231 4.552 4.320 0.001 0.000 0.296 648 A C -0.261 177.356 177.584 0.055 0.000 1.580 648 A CA -0.047 52.044 52.037 0.090 0.000 1.277 648 A CB -0.670 18.363 19.000 0.056 0.000 1.101 648 A HN 0.670 nan 8.150 nan 0.000 0.562 649 Q N 0.644 120.479 119.800 0.058 0.000 2.648 649 Q HA 0.485 4.826 4.340 0.001 0.000 0.300 649 Q C -1.304 174.657 176.000 -0.065 0.000 0.954 649 Q CA -1.014 54.753 55.803 -0.059 0.000 0.757 649 Q CB 0.909 29.538 28.738 -0.182 0.000 1.482 649 Q HN 0.466 nan 8.270 nan 0.000 0.437 650 E N 0.725 120.857 120.200 -0.113 0.000 2.259 650 E HA 0.278 4.629 4.350 0.001 0.000 0.281 650 E C -1.297 175.198 176.600 -0.176 0.000 1.037 650 E CA -0.107 56.259 56.400 -0.057 0.000 0.854 650 E CB 0.644 30.325 29.700 -0.032 0.000 1.051 650 E HN 0.320 nan 8.360 nan 0.000 0.409 651 Y N 2.386 122.691 120.300 0.008 0.000 2.528 651 Y HA 0.304 4.855 4.550 0.001 0.000 0.335 651 Y C -1.926 173.985 175.900 0.017 0.000 1.093 651 Y CA -2.495 55.614 58.100 0.015 0.000 1.134 651 Y CB 0.992 39.438 38.460 -0.024 0.000 1.253 651 Y HN 0.461 nan 8.280 nan 0.000 0.478 652 P HA 0.029 nan 4.420 nan 0.000 0.275 652 P C -0.917 176.427 177.300 0.073 0.000 1.266 652 P CA -0.449 62.724 63.100 0.123 0.000 0.793 652 P CB 0.542 32.348 31.700 0.177 0.000 1.074 653 N N 0.301 118.978 118.700 -0.038 0.000 2.454 653 N HA 0.118 4.859 4.740 0.001 0.000 0.254 653 N C -0.147 175.464 175.510 0.168 0.000 1.228 653 N CA 0.603 53.616 53.050 -0.061 0.000 0.900 653 N CB 0.080 38.183 38.487 -0.639 0.000 1.089 653 N HN 0.312 nan 8.380 nan 0.000 0.449 654 I N 1.347 122.079 120.570 0.271 0.000 2.619 654 I HA 0.336 4.507 4.170 0.001 0.000 0.292 654 I C -0.345 175.792 176.117 0.033 0.000 1.100 654 I CA -0.500 60.912 61.300 0.187 0.000 1.043 654 I CB 2.320 40.301 38.000 -0.031 0.000 1.239 654 I HN 0.284 nan 8.210 nan 0.000 0.420 655 M N 6.489 126.014 119.600 -0.124 0.000 2.383 655 M HA 0.689 5.170 4.480 0.001 0.000 0.325 655 M C -1.939 174.281 176.300 -0.133 0.000 1.092 655 M CA -0.608 54.450 55.300 -0.404 0.000 0.961 655 M CB 1.926 34.012 32.600 -0.857 0.000 1.672 655 M HN 0.351 nan 8.290 nan 0.000 0.438 656 V N 4.590 124.438 119.914 -0.110 0.000 2.444 656 V HA 0.426 4.547 4.120 0.001 0.000 0.294 656 V C -0.571 175.455 176.094 -0.113 0.000 1.022 656 V CA -0.717 61.563 62.300 -0.033 0.000 0.850 656 V CB 1.512 33.355 31.823 0.033 0.000 0.992 656 V HN 0.810 nan 8.190 nan 0.000 0.426 657 Q N 4.024 123.760 119.800 -0.108 0.000 2.282 657 Q HA 0.677 5.018 4.340 0.001 0.000 0.260 657 Q C -0.753 175.162 176.000 -0.140 0.000 0.964 657 Q CA -0.260 55.443 55.803 -0.168 0.000 0.880 657 Q CB 1.964 30.610 28.738 -0.154 0.000 1.286 657 Q HN 1.051 nan 8.270 nan 0.000 0.445 658 C N 0.063 119.270 119.300 -0.156 0.000 3.332 658 C HA 1.001 5.462 4.460 0.001 0.000 0.329 658 C C -0.141 174.771 174.990 -0.130 0.000 1.434 658 C CA -0.535 58.408 59.018 -0.126 0.000 1.314 658 C CB 1.237 28.926 27.740 -0.084 0.000 1.664 658 C HN 0.851 nan 8.230 nan 0.000 0.457 659 G N 0.208 108.941 108.800 -0.111 0.000 2.530 659 G HA2 0.556 4.517 3.960 0.001 0.000 0.316 659 G HA3 0.556 4.517 3.960 0.001 0.000 0.316 659 G C -0.031 174.786 174.900 -0.138 0.000 1.298 659 G CA -0.462 44.562 45.100 -0.127 0.000 0.948 659 G HN 1.281 nan 8.290 nan 0.000 0.486 660 L N 1.536 122.602 121.223 -0.262 0.000 2.081 660 L HA -0.082 4.259 4.340 0.001 0.000 0.212 660 L C 1.847 178.460 176.870 -0.429 0.000 1.080 660 L CA 1.797 56.368 54.840 -0.449 0.000 0.754 660 L CB -0.246 41.399 42.059 -0.689 0.000 0.893 660 L HN 0.648 nan 8.230 nan 0.000 0.433 661 H N -1.234 117.774 119.070 -0.102 0.000 2.529 661 H HA 0.174 4.731 4.556 0.001 0.000 0.277 661 H C 0.006 175.280 175.328 -0.090 0.000 1.004 661 H CA -0.187 55.803 56.048 -0.098 0.000 1.167 661 H CB -0.379 29.275 29.762 -0.179 0.000 1.445 661 H HN 0.324 nan 8.280 nan 0.000 0.554 662 D N 3.156 123.540 120.400 -0.027 0.000 2.451 662 D HA -0.030 4.610 4.640 0.001 0.000 0.254 662 D C -1.545 174.704 176.300 -0.085 0.000 1.204 662 D CA -1.279 52.694 54.000 -0.045 0.000 0.896 662 D CB 1.518 42.289 40.800 -0.048 0.000 1.136 662 D HN 0.171 nan 8.370 nan 0.000 0.499 663 P HA 0.161 nan 4.420 nan 0.000 0.267 663 P C 0.667 177.867 177.300 -0.167 0.000 1.289 663 P CA 0.132 63.180 63.100 -0.087 0.000 0.866 663 P CB 0.785 32.466 31.700 -0.032 0.000 1.309 664 R N -0.835 119.501 120.500 -0.274 0.000 2.140 664 R HA 0.249 4.590 4.340 0.001 0.000 0.200 664 R C 0.185 176.271 176.300 -0.357 0.000 1.069 664 R CA 0.445 56.311 56.100 -0.389 0.000 1.088 664 R CB 0.403 30.248 30.300 -0.759 0.000 1.012 664 R HN -0.079 nan 8.270 nan 0.000 0.500 665 V N 1.976 121.711 119.914 -0.299 0.000 2.376 665 V HA 0.448 4.569 4.120 0.001 0.000 0.287 665 V C -0.304 175.566 176.094 -0.373 0.000 1.015 665 V CA -1.073 61.074 62.300 -0.255 0.000 0.834 665 V CB 1.265 33.034 31.823 -0.091 0.000 1.001 665 V HN 0.294 nan 8.190 nan 0.000 0.428 666 A N 4.091 126.512 122.820 -0.665 0.000 2.462 666 A HA 0.355 4.676 4.320 0.001 0.000 0.243 666 A C 0.891 177.846 177.584 -1.049 0.000 1.076 666 A CA 0.036 51.385 52.037 -1.147 0.000 0.773 666 A CB -0.081 17.454 19.000 -2.442 0.000 1.010 666 A HN 1.146 nan 8.150 nan 0.000 0.493 667 Y N 0.513 120.468 120.300 -0.575 0.000 2.241 667 Y HA -0.244 4.306 4.550 0.001 0.000 0.286 667 Y C 1.596 177.345 175.900 -0.252 0.000 1.166 667 Y CA 1.747 59.659 58.100 -0.313 0.000 1.203 667 Y CB -0.889 37.457 38.460 -0.190 0.000 0.977 667 Y HN 0.801 nan 8.280 nan 0.000 0.529 668 W N 1.448 121.946 121.300 -1.337 0.000 2.595 668 W HA 0.139 4.800 4.660 0.001 0.000 0.257 668 W C 1.430 177.699 176.519 -0.416 0.000 1.267 668 W CA 0.551 57.389 57.345 -0.845 0.000 1.300 668 W CB -0.808 28.101 29.460 -0.918 0.000 1.120 668 W HN 0.103 nan 8.180 nan 0.000 0.618 669 E N 1.836 121.709 120.200 -0.546 0.000 2.028 669 E HA -0.185 4.165 4.350 0.001 0.000 0.191 669 E C -0.137 176.410 176.600 -0.088 0.000 0.988 669 E CA 1.697 57.951 56.400 -0.243 0.000 0.799 669 E CB -1.637 27.881 29.700 -0.303 0.000 0.755 669 E HN 0.213 nan 8.360 nan 0.000 0.447 670 P HA -0.110 nan 4.420 nan 0.000 0.219 670 P C 1.169 178.531 177.300 0.105 0.000 1.150 670 P CA 1.451 64.631 63.100 0.134 0.000 0.814 670 P CB 0.056 31.805 31.700 0.081 0.000 0.787 671 A N 1.103 123.938 122.820 0.025 0.000 1.877 671 A HA -0.198 4.123 4.320 0.001 0.000 0.216 671 A C 2.274 179.803 177.584 -0.092 0.000 1.186 671 A CA 1.960 54.008 52.037 0.018 0.000 0.620 671 A CB -1.150 17.903 19.000 0.087 0.000 0.822 671 A HN 0.133 nan 8.150 nan 0.000 0.443 672 K N -1.922 118.410 120.400 -0.113 0.000 2.057 672 K HA -0.197 4.124 4.320 0.001 0.000 0.207 672 K C 1.808 178.361 176.600 -0.079 0.000 1.049 672 K CA 1.557 57.728 56.287 -0.194 0.000 0.931 672 K CB -0.279 32.197 32.500 -0.039 0.000 0.714 672 K HN 0.710 nan 8.250 nan 0.000 0.440 673 W N 1.378 122.568 121.300 -0.182 0.000 2.355 673 W HA -0.186 4.475 4.660 0.001 0.000 0.309 673 W C 1.653 178.060 176.519 -0.186 0.000 1.206 673 W CA 0.960 58.205 57.345 -0.168 0.000 1.284 673 W CB -0.495 28.863 29.460 -0.171 0.000 1.145 673 W HN -0.260 nan 8.180 nan 0.000 0.502 674 V N 0.654 120.414 119.914 -0.256 0.000 2.332 674 V HA -0.352 3.769 4.120 0.001 0.000 0.248 674 V C 2.460 178.351 176.094 -0.339 0.000 1.055 674 V CA 2.347 64.396 62.300 -0.418 0.000 1.038 674 V CB -1.337 30.341 31.823 -0.242 0.000 0.651 674 V HN 0.182 nan 8.190 nan 0.000 0.450 675 S N -0.705 114.810 115.700 -0.309 0.000 2.359 675 S HA -0.278 4.192 4.470 0.001 0.000 0.224 675 S C 2.026 176.468 174.600 -0.263 0.000 1.035 675 S CA 1.995 59.968 58.200 -0.377 0.000 1.018 675 S CB -0.304 62.409 63.200 -0.812 0.000 0.876 675 S HN 0.600 nan 8.310 nan 0.000 0.448 676 K N 0.922 121.206 120.400 -0.193 0.000 2.062 676 K HA 0.036 4.357 4.320 0.001 0.000 0.205 676 K C 2.068 178.596 176.600 -0.121 0.000 1.051 676 K CA 0.761 57.066 56.287 0.030 0.000 0.941 676 K CB -0.233 32.363 32.500 0.159 0.000 0.719 676 K HN 0.251 nan 8.250 nan 0.000 0.440 677 L N 0.815 121.836 121.223 -0.336 0.000 1.990 677 L HA -0.241 4.099 4.340 0.001 0.000 0.213 677 L C 2.640 179.324 176.870 -0.310 0.000 1.072 677 L CA 1.596 56.129 54.840 -0.512 0.000 0.755 677 L CB -0.404 41.158 42.059 -0.829 0.000 0.889 677 L HN 0.190 nan 8.230 nan 0.000 0.432 678 R N -0.433 119.918 120.500 -0.248 0.000 2.120 678 R HA -0.200 4.140 4.340 0.001 0.000 0.234 678 R C 2.163 178.420 176.300 -0.072 0.000 1.123 678 R CA 1.423 57.434 56.100 -0.149 0.000 0.975 678 R CB -0.335 29.877 30.300 -0.148 0.000 0.866 678 R HN 0.496 nan 8.270 nan 0.000 0.446 679 E N 0.218 120.394 120.200 -0.041 0.000 2.106 679 E HA -0.165 4.185 4.350 0.001 0.000 0.192 679 E C 1.322 177.937 176.600 0.025 0.000 0.984 679 E CA 1.209 57.625 56.400 0.026 0.000 0.806 679 E CB 0.152 29.915 29.700 0.105 0.000 0.750 679 E HN 0.315 nan 8.360 nan 0.000 0.458 680 C N 1.291 120.599 119.300 0.012 0.000 2.700 680 C HA 0.145 4.605 4.460 0.001 0.000 0.297 680 C C 0.927 175.964 174.990 0.079 0.000 1.293 680 C CA -0.327 58.720 59.018 0.049 0.000 1.756 680 C CB -0.456 27.324 27.740 0.066 0.000 2.210 680 C HN 0.364 nan 8.230 nan 0.000 0.553 681 K N 1.754 122.193 120.400 0.065 0.000 2.319 681 K HA 0.136 4.457 4.320 0.001 0.000 0.265 681 K C 0.560 177.225 176.600 0.109 0.000 1.000 681 K CA 1.065 57.453 56.287 0.167 0.000 0.943 681 K CB 0.358 32.958 32.500 0.166 0.000 0.950 681 K HN 0.347 nan 8.250 nan 0.000 0.485 682 T N -2.398 112.224 114.554 0.113 0.000 3.054 682 T HA -0.010 4.341 4.350 0.001 0.000 0.255 682 T C 0.279 175.011 174.700 0.053 0.000 1.035 682 T CA -0.290 61.847 62.100 0.063 0.000 0.941 682 T CB -0.256 68.638 68.868 0.044 0.000 1.026 682 T HN 0.762 nan 8.240 nan 0.000 0.533 683 D N 2.299 122.742 120.400 0.070 0.000 2.423 683 D HA 0.099 4.740 4.640 0.001 0.000 0.255 683 D C 0.011 176.341 176.300 0.050 0.000 1.174 683 D CA -0.668 53.364 54.000 0.054 0.000 1.008 683 D CB 0.763 41.602 40.800 0.065 0.000 1.101 683 D HN 0.237 nan 8.370 nan 0.000 0.516 684 N N -0.348 118.378 118.700 0.043 0.000 2.321 684 N HA -0.002 4.738 4.740 0.001 0.000 0.242 684 N C -0.665 174.876 175.510 0.052 0.000 1.141 684 N CA -0.573 52.505 53.050 0.046 0.000 0.864 684 N CB -0.311 38.201 38.487 0.041 0.000 1.100 684 N HN 0.161 nan 8.380 nan 0.000 0.510 685 N N 1.131 119.860 118.700 0.048 0.000 2.381 685 N HA 0.065 4.806 4.740 0.001 0.000 0.254 685 N C 0.061 175.612 175.510 0.068 0.000 1.264 685 N CA -0.083 52.988 53.050 0.035 0.000 0.942 685 N CB 0.754 39.244 38.487 0.005 0.000 1.190 685 N HN 0.536 nan 8.380 nan 0.000 0.495 686 E N 0.004 120.255 120.200 0.086 0.000 2.191 686 E HA 0.535 4.885 4.350 0.001 0.000 0.274 686 E C -0.786 175.926 176.600 0.186 0.000 0.948 686 E CA -0.575 55.932 56.400 0.179 0.000 0.802 686 E CB 1.190 31.036 29.700 0.244 0.000 1.137 686 E HN 0.398 nan 8.360 nan 0.000 0.397 687 I N 3.328 123.998 120.570 0.166 0.000 2.410 687 I HA 0.230 4.401 4.170 0.001 0.000 0.286 687 I C -1.174 175.029 176.117 0.144 0.000 1.009 687 I CA -1.031 60.308 61.300 0.065 0.000 1.111 687 I CB 1.165 39.103 38.000 -0.103 0.000 1.262 687 I HN 0.413 nan 8.210 nan 0.000 0.443 688 L N 7.135 128.389 121.223 0.051 0.000 2.322 688 L HA 0.503 4.844 4.340 0.001 0.000 0.281 688 L C -0.703 176.193 176.870 0.043 0.000 1.014 688 L CA -0.505 54.400 54.840 0.108 0.000 0.815 688 L CB 1.683 43.772 42.059 0.049 0.000 1.247 688 L HN 0.392 nan 8.230 nan 0.000 0.421 689 L N 4.197 125.465 121.223 0.075 0.000 2.316 689 L HA 0.530 4.871 4.340 0.001 0.000 0.280 689 L C -0.604 176.111 176.870 -0.259 0.000 1.006 689 L CA -0.189 54.605 54.840 -0.077 0.000 0.836 689 L CB 0.938 42.965 42.059 -0.054 0.000 1.221 689 L HN 0.591 nan 8.230 nan 0.000 0.418 690 N N 5.526 123.918 118.700 -0.513 0.000 2.527 690 N HA 0.361 5.102 4.740 0.001 0.000 0.236 690 N C -1.241 173.992 175.510 -0.460 0.000 0.999 690 N CA -0.309 52.187 53.050 -0.924 0.000 0.935 690 N CB 0.260 37.892 38.487 -1.424 0.000 1.132 690 N HN 0.507 nan 8.380 nan 0.000 0.511 691 I N 1.750 122.124 120.570 -0.327 0.000 2.315 691 I HA 0.185 4.355 4.170 0.001 0.000 0.291 691 I C 0.350 176.342 176.117 -0.208 0.000 1.006 691 I CA -0.695 60.475 61.300 -0.216 0.000 1.265 691 I CB 0.951 38.856 38.000 -0.159 0.000 1.387 691 I HN 0.362 nan 8.210 nan 0.000 0.475 692 D N 7.088 127.379 120.400 -0.182 0.000 2.339 692 D HA 0.176 4.816 4.640 0.001 0.000 0.241 692 D C 0.721 176.937 176.300 -0.140 0.000 1.183 692 D CA -0.276 53.641 54.000 -0.137 0.000 0.859 692 D CB 0.920 41.657 40.800 -0.105 0.000 1.067 692 D HN 0.336 nan 8.370 nan 0.000 0.484 693 M N 2.213 121.740 119.600 -0.123 0.000 2.619 693 M HA 0.007 4.487 4.480 0.001 0.000 0.251 693 M C 0.200 176.464 176.300 -0.060 0.000 1.106 693 M CA 0.755 55.965 55.300 -0.150 0.000 1.086 693 M CB -0.114 32.422 32.600 -0.107 0.000 1.465 693 M HN 0.400 nan 8.290 nan 0.000 0.506 694 E N 0.994 121.192 120.200 -0.004 0.000 3.385 694 E HA 0.267 4.617 4.350 0.001 0.000 0.206 694 E C -0.154 176.445 176.600 -0.001 0.000 0.997 694 E CA -0.079 56.362 56.400 0.069 0.000 1.278 694 E CB 0.449 30.211 29.700 0.103 0.000 1.165 694 E HN 0.334 nan 8.360 nan 0.000 0.452 695 S N -2.054 113.583 115.700 -0.105 0.000 2.703 695 S HA 0.727 5.197 4.470 0.001 0.000 0.273 695 S C 0.365 174.804 174.600 -0.269 0.000 1.178 695 S CA -0.401 57.574 58.200 -0.376 0.000 0.838 695 S CB 1.538 64.698 63.200 -0.067 0.000 1.178 695 S HN 0.103 nan 8.310 nan 0.000 0.494 696 G N -0.082 108.553 108.800 -0.274 0.000 3.345 696 G HA2 0.303 4.264 3.960 0.001 0.000 0.202 696 G HA3 0.303 4.264 3.960 0.001 0.000 0.202 696 G C 0.455 175.329 174.900 -0.042 0.000 1.740 696 G CA 0.249 45.288 45.100 -0.100 0.000 0.806 696 G HN 0.858 nan 8.290 nan 0.000 0.718 697 H N -0.918 118.050 119.070 -0.169 0.000 2.562 697 H HA 0.321 4.878 4.556 0.001 0.000 0.267 697 H C 0.692 175.705 175.328 -0.524 0.000 0.959 697 H CA 0.349 56.131 56.048 -0.442 0.000 1.204 697 H CB 0.175 29.479 29.762 -0.762 0.000 1.430 697 H HN 0.216 nan 8.280 nan 0.000 0.545 698 F N -0.668 119.331 119.950 0.082 0.000 2.735 698 F HA 0.294 4.822 4.527 0.001 0.000 0.308 698 F C 1.026 176.943 175.800 0.195 0.000 1.112 698 F CA 0.474 58.544 58.000 0.118 0.000 1.235 698 F CB 0.019 39.130 39.000 0.186 0.000 1.027 698 F HN 0.072 nan 8.300 nan 0.000 0.528 699 S N 0.796 116.629 115.700 0.223 0.000 3.251 699 S HA -0.192 4.278 4.470 0.001 0.000 0.633 699 S C 0.372 175.223 174.600 0.418 0.000 2.788 699 S CA -0.015 58.305 58.200 0.201 0.000 3.086 699 S CB -1.085 62.132 63.200 0.029 0.000 0.327 699 S HN 0.805 nan 8.310 nan 0.000 1.718 700 A N 0.909 123.951 122.820 0.371 0.000 2.425 700 A HA 0.534 4.854 4.320 0.001 0.000 0.249 700 A C 1.076 178.815 177.584 0.258 0.000 1.084 700 A CA 0.096 52.359 52.037 0.376 0.000 0.781 700 A CB 0.283 19.416 19.000 0.221 0.000 1.019 700 A HN 0.640 nan 8.150 nan 0.000 0.490 701 K N 0.907 121.349 120.400 0.069 0.000 2.228 701 K HA -0.036 4.285 4.320 0.001 0.000 0.202 701 K C 0.339 176.853 176.600 -0.143 0.000 1.051 701 K CA 0.368 56.628 56.287 -0.046 0.000 0.960 701 K CB -0.118 32.325 32.500 -0.096 0.000 0.743 701 K HN 0.851 nan 8.250 nan 0.000 0.458 702 D N 2.138 122.405 120.400 -0.221 0.000 2.412 702 D HA -0.076 4.564 4.640 0.001 0.000 0.257 702 D C 1.151 177.275 176.300 -0.294 0.000 1.217 702 D CA 0.143 53.807 54.000 -0.559 0.000 0.897 702 D CB 0.743 41.361 40.800 -0.303 0.000 1.132 702 D HN 0.166 nan 8.370 nan 0.000 0.493 703 R N 3.365 123.614 120.500 -0.419 0.000 2.115 703 R HA -0.180 4.161 4.340 0.001 0.000 0.230 703 R C 1.269 177.507 176.300 -0.103 0.000 1.111 703 R CA 1.051 56.958 56.100 -0.322 0.000 0.976 703 R CB -0.592 29.506 30.300 -0.337 0.000 0.870 703 R HN 0.417 nan 8.270 nan 0.000 0.445 704 Y N 1.820 122.219 120.300 0.165 0.000 2.220 704 Y HA 0.034 4.585 4.550 0.001 0.000 0.291 704 Y C 2.246 178.320 175.900 0.290 0.000 1.129 704 Y CA 0.965 59.269 58.100 0.341 0.000 1.161 704 Y CB -0.203 38.413 38.460 0.260 0.000 0.997 704 Y HN -0.032 nan 8.280 nan 0.000 0.522 705 K N -0.474 120.080 120.400 0.257 0.000 2.057 705 K HA -0.198 4.123 4.320 0.001 0.000 0.207 705 K C 1.989 178.657 176.600 0.114 0.000 1.049 705 K CA 1.790 58.169 56.287 0.153 0.000 0.931 705 K CB -0.573 31.994 32.500 0.112 0.000 0.714 705 K HN 0.239 nan 8.250 nan 0.000 0.440 706 F N 0.148 120.023 119.950 -0.124 0.000 2.126 706 F HA -0.220 4.308 4.527 0.001 0.000 0.299 706 F C 1.607 177.189 175.800 -0.364 0.000 1.096 706 F CA 1.516 59.325 58.000 -0.318 0.000 1.255 706 F CB -0.153 38.504 39.000 -0.571 0.000 0.997 706 F HN 0.074 nan 8.300 nan 0.000 0.479 707 W N 0.739 122.228 121.300 0.315 0.000 2.418 707 W HA -0.066 4.594 4.660 0.001 0.000 0.292 707 W C 2.591 179.341 176.519 0.385 0.000 1.213 707 W CA 1.123 58.628 57.345 0.266 0.000 1.283 707 W CB -0.453 29.169 29.460 0.270 0.000 1.119 707 W HN -0.112 nan 8.180 nan 0.000 0.542 708 K N 0.749 121.451 120.400 0.503 0.000 2.057 708 K HA -0.191 4.130 4.320 0.001 0.000 0.206 708 K C 1.840 178.508 176.600 0.113 0.000 1.050 708 K CA 1.410 57.818 56.287 0.201 0.000 0.935 708 K CB -0.102 32.329 32.500 -0.115 0.000 0.715 708 K HN -0.025 nan 8.250 nan 0.000 0.439 709 E N 0.484 120.682 120.200 -0.004 0.000 2.077 709 E HA -0.121 4.230 4.350 0.001 0.000 0.193 709 E C 2.114 178.657 176.600 -0.095 0.000 0.989 709 E CA 1.075 57.422 56.400 -0.089 0.000 0.800 709 E CB -0.110 29.461 29.700 -0.214 0.000 0.746 709 E HN 0.261 nan 8.360 nan 0.000 0.452 710 S N 1.035 116.633 115.700 -0.171 0.000 2.356 710 S HA -0.142 4.329 4.470 0.001 0.000 0.223 710 S C 2.138 176.858 174.600 0.200 0.000 1.032 710 S CA 1.135 59.291 58.200 -0.073 0.000 1.005 710 S CB -0.232 62.899 63.200 -0.116 0.000 0.867 710 S HN 0.406 nan 8.310 nan 0.000 0.449 711 A N 1.254 124.277 122.820 0.338 0.000 1.940 711 A HA -0.110 4.211 4.320 0.001 0.000 0.219 711 A C 2.089 179.792 177.584 0.199 0.000 1.176 711 A CA 1.425 53.643 52.037 0.301 0.000 0.631 711 A CB -0.690 18.510 19.000 0.333 0.000 0.814 711 A HN 0.431 nan 8.150 nan 0.000 0.446 712 I N 0.103 120.777 120.570 0.174 0.000 2.361 712 I HA -0.269 3.902 4.170 0.001 0.000 0.251 712 I C 2.382 178.634 176.117 0.225 0.000 1.133 712 I CA 1.750 63.157 61.300 0.177 0.000 1.413 712 I CB -0.440 37.682 38.000 0.203 0.000 1.073 712 I HN 0.459 nan 8.210 nan 0.000 0.424 713 Q N -0.493 119.434 119.800 0.212 0.000 2.046 713 Q HA -0.252 4.088 4.340 0.001 0.000 0.200 713 Q C 2.275 178.502 176.000 0.378 0.000 0.975 713 Q CA 1.814 57.775 55.803 0.264 0.000 0.836 713 Q CB -0.268 28.587 28.738 0.196 0.000 0.896 713 Q HN 0.572 nan 8.270 nan 0.000 0.428 714 Q N 0.431 120.415 119.800 0.306 0.000 2.084 714 Q HA -0.153 4.188 4.340 0.001 0.000 0.202 714 Q C 2.072 178.271 176.000 0.331 0.000 0.978 714 Q CA 1.619 57.608 55.803 0.311 0.000 0.844 714 Q CB -0.281 28.433 28.738 -0.041 0.000 0.898 714 Q HN 0.404 nan 8.270 nan 0.000 0.426 715 A N 0.139 123.102 122.820 0.237 0.000 1.908 715 A HA -0.209 4.111 4.320 0.001 0.000 0.218 715 A C 1.911 179.632 177.584 0.228 0.000 1.181 715 A CA 1.356 53.504 52.037 0.185 0.000 0.627 715 A CB -0.823 18.255 19.000 0.130 0.000 0.818 715 A HN 0.488 nan 8.150 nan 0.000 0.445 716 F N 0.562 120.593 119.950 0.135 0.000 2.146 716 F HA -0.126 4.402 4.527 0.001 0.000 0.298 716 F C 2.223 178.152 175.800 0.216 0.000 1.096 716 F CA 1.855 59.941 58.000 0.143 0.000 1.275 716 F CB -0.275 38.836 39.000 0.185 0.000 1.008 716 F HN 0.027 nan 8.300 nan 0.000 0.480 717 V N -0.406 119.731 119.914 0.371 0.000 2.261 717 V HA -0.373 3.748 4.120 0.001 0.000 0.246 717 V C 2.634 178.813 176.094 0.142 0.000 1.047 717 V CA 2.011 64.456 62.300 0.242 0.000 1.015 717 V CB -1.107 30.922 31.823 0.344 0.000 0.642 717 V HN 0.574 nan 8.190 nan 0.000 0.446 718 C N -0.311 119.122 119.300 0.221 0.000 2.425 718 C HA -0.161 4.300 4.460 0.001 0.000 0.277 718 C C 2.785 177.792 174.990 0.029 0.000 1.280 718 C CA 1.362 60.474 59.018 0.156 0.000 1.744 718 C CB -0.973 26.880 27.740 0.190 0.000 1.989 718 C HN 0.625 nan 8.230 nan 0.000 0.491 719 K N 0.067 120.434 120.400 -0.056 0.000 2.009 719 K HA -0.209 4.111 4.320 0.001 0.000 0.210 719 K C 1.942 178.382 176.600 -0.266 0.000 1.049 719 K CA 1.658 57.824 56.287 -0.203 0.000 0.929 719 K CB -0.372 31.918 32.500 -0.350 0.000 0.714 719 K HN 0.574 nan 8.250 nan 0.000 0.440 720 H N 0.266 119.225 119.070 -0.185 0.000 2.495 720 H HA 0.014 4.571 4.556 0.001 0.000 0.287 720 H C 1.841 177.116 175.328 -0.088 0.000 1.033 720 H CA 0.888 56.825 56.048 -0.185 0.000 1.307 720 H CB 0.175 29.741 29.762 -0.326 0.000 1.401 720 H HN 0.228 nan 8.280 nan 0.000 0.555 721 L N 0.310 121.559 121.223 0.044 0.000 2.599 721 L HA -0.011 4.329 4.340 0.001 0.000 0.230 721 L C 0.636 177.520 176.870 0.024 0.000 1.141 721 L CA 0.222 55.085 54.840 0.038 0.000 0.877 721 L CB -0.077 42.008 42.059 0.043 0.000 1.009 721 L HN 0.056 nan 8.230 nan 0.000 0.447 722 K N 0.080 120.482 120.400 0.003 0.000 3.077 722 K HA -0.196 4.125 4.320 0.001 0.000 0.264 722 K C 0.438 177.049 176.600 0.018 0.000 1.008 722 K CA 0.552 56.838 56.287 -0.001 0.000 0.740 722 K CB -1.591 30.909 32.500 -0.000 0.000 1.273 722 K HN 0.170 nan 8.250 nan 0.000 0.477 723 S N 0.285 116.007 115.700 0.036 0.000 2.272 723 S HA 0.155 4.625 4.470 0.001 0.000 0.207 723 S C 0.968 175.613 174.600 0.075 0.000 1.336 723 S CA 0.042 58.278 58.200 0.061 0.000 1.259 723 S CB 0.398 63.650 63.200 0.086 0.000 1.130 723 S HN 0.395 nan 8.310 nan 0.000 0.444 724 T N -1.446 113.136 114.554 0.047 0.000 3.037 724 T HA 0.255 4.605 4.350 0.001 0.000 0.252 724 T C 0.530 175.256 174.700 0.043 0.000 1.073 724 T CA 0.138 62.266 62.100 0.046 0.000 1.091 724 T CB 0.019 68.898 68.868 0.018 0.000 0.935 724 T HN 0.185 nan 8.240 nan 0.000 0.488 725 V N 2.663 122.599 119.914 0.036 0.000 2.407 725 V HA 0.419 4.540 4.120 0.001 0.000 0.278 725 V C 0.423 176.536 176.094 0.032 0.000 1.037 725 V CA -1.197 61.120 62.300 0.027 0.000 0.900 725 V CB 0.932 32.764 31.823 0.015 0.000 0.983 725 V HN 0.354 nan 8.190 nan 0.000 0.459 726 R N 3.127 123.645 120.500 0.031 0.000 2.640 726 R HA 0.121 4.462 4.340 0.001 0.000 0.270 726 R C 1.259 177.560 176.300 0.002 0.000 1.024 726 R CA -0.159 55.960 56.100 0.033 0.000 1.085 726 R CB 0.284 30.606 30.300 0.038 0.000 0.963 726 R HN 0.632 nan 8.270 nan 0.000 0.426 727 L N 2.417 123.622 121.223 -0.030 0.000 2.043 727 L HA -0.285 4.056 4.340 0.001 0.000 0.212 727 L C 2.217 179.044 176.870 -0.072 0.000 1.075 727 L CA 1.109 55.895 54.840 -0.090 0.000 0.752 727 L CB -0.471 41.439 42.059 -0.248 0.000 0.891 727 L HN 0.603 nan 8.230 nan 0.000 0.432 728 L N 0.105 121.297 121.223 -0.052 0.000 2.083 728 L HA -0.133 4.208 4.340 0.001 0.000 0.209 728 L C 2.141 179.006 176.870 -0.008 0.000 1.083 728 L CA 1.908 56.736 54.840 -0.020 0.000 0.752 728 L CB -0.287 41.780 42.059 0.013 0.000 0.899 728 L HN 0.238 nan 8.230 nan 0.000 0.433 729 V N -3.621 116.291 119.914 -0.003 0.000 3.621 729 V HA 0.245 4.365 4.120 0.001 0.000 0.285 729 V C 1.531 177.624 176.094 -0.002 0.000 1.346 729 V CA -0.463 61.837 62.300 0.000 0.000 1.104 729 V CB -0.672 31.154 31.823 0.005 0.000 0.913 729 V HN 0.239 nan 8.190 nan 0.000 0.432 730 R N 0.000 120.496 120.500 -0.006 0.000 2.786 730 R HA 0.000 4.341 4.340 0.001 0.000 0.208 730 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 730 R CB 0.000 30.295 30.300 -0.008 0.000 0.687 730 R HN 0.000 nan 8.270 nan 0.000 0.535