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 2e1r_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVAFTVDQMR SLMDKVTNVR NMSVIAHVDH GKSTLTDSLV QRAGIISAAK DATA SEQUENCE XXXXXXXXXX XXXXERGITI KSTAISLYSE MSDEDVKEIK QKTDGNSFLI DATA SEQUENCE NLIDSPGHVD FSSEVTAALR VTDGALVVVD TIEGVCVQTE TVLRQALGER DATA SEQUENCE IKPVVVINKV DRALLELQVS KEDLYQTFAR TVESVNVIVS TYADEVLGDV DATA SEQUENCE QVYPARGTVA FGSGLHGWAF TIRQFATRYA KKFGVDKAKM MDRLWGDSFF DATA SEQUENCE NPKTKKWTNK DTDAEGKPLE RAFNMFILDP IFRLFTAIMN FKKDEIPVLL DATA SEQUENCE EKLEIVLKGD EKDLEGKALL KVVMRKFLPA ADALLEMIVL HLPSPVTAQA DATA SEQUENCE YRAEQLYEGP ADDANCIAIK NCDPKADLML YVSKMVPTSD KGRFYAFGRV DATA SEQUENCE FAGTVKSGQK VRIQGPNYVP GKKDDLFIKA IQRVVLMMGR FVEPIDDCPA DATA SEQUENCE GNIIGLVGID QFLLKTGTLT TSETAHNMKV MKFSVSPVVQ VAVEVKNAND DATA SEQUENCE LPKLVEGLKR LSKSDPCVLT YMSESGEHIV AGTGELHLEI CLQDLEHDHA DATA SEQUENCE GVPLKISPPV VAYRETVESE SSQTALSKSP NKHNRIYLKA EPIDEEVSLA DATA SEQUENCE IENGIINPRD DFKARARIMA DDYGWDVTDA RKIWCFGPDG NGPNLVIDQT DATA SEQUENCE KAVQYLHEIK DSVVAAFQWA TKEGPIFGEE MRSVRVNILD VTLHADAIHR DATA SEQUENCE GGGQIIPTMR RATYAGFLLA DPKIQEPVFL VEIQCPEQAV GGIYSVLNKK DATA SEQUENCE RGQVVSEEQR PGTPLFTVKA YLPVNESFGF TGELRQATGG QAFPQMVFDH DATA SEQUENCE WSTLGSDPLD PTSKAGEIVL AARKRHGMKE EVPGWQEYYD KL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.023 0.000 1.302 2 V N 1.826 121.674 119.914 -0.111 0.000 2.555 2 V HA 0.911 5.029 4.120 -0.002 0.000 0.302 2 V C -1.113 174.817 176.094 -0.272 0.000 1.038 2 V CA -0.450 61.736 62.300 -0.191 0.000 0.887 2 V CB 1.640 33.278 31.823 -0.310 0.000 0.991 2 V HN 0.561 nan 8.190 nan 0.000 0.434 3 A N 6.427 129.156 122.820 -0.151 0.000 2.317 3 A HA 0.917 5.236 4.320 -0.002 0.000 0.327 3 A C -1.276 176.409 177.584 0.168 0.000 1.178 3 A CA -0.371 51.633 52.037 -0.055 0.000 0.817 3 A CB 0.813 19.822 19.000 0.014 0.000 1.189 3 A HN 0.652 nan 8.150 nan 0.000 0.489 4 F N 0.370 120.285 119.950 -0.058 0.000 2.576 4 F HA 0.556 5.082 4.527 -0.001 0.000 0.313 4 F C 1.053 176.820 175.800 -0.055 0.000 1.078 4 F CA -0.819 57.133 58.000 -0.081 0.000 0.921 4 F CB 2.113 41.041 39.000 -0.119 0.000 1.232 4 F HN 0.749 nan 8.300 nan 0.000 0.459 5 T N -1.304 113.308 114.554 0.097 0.000 2.754 5 T HA 0.349 4.698 4.350 -0.002 0.000 0.286 5 T C 1.075 175.794 174.700 0.031 0.000 0.997 5 T CA -0.461 61.660 62.100 0.034 0.000 0.982 5 T CB 0.820 69.678 68.868 -0.015 0.000 1.027 5 T HN 0.252 nan 8.240 nan 0.000 0.529 6 V N 1.046 120.969 119.914 0.014 0.000 2.515 6 V HA -0.073 4.045 4.120 -0.002 0.000 0.250 6 V C 2.499 178.589 176.094 -0.008 0.000 1.058 6 V CA 1.722 64.030 62.300 0.013 0.000 1.064 6 V CB -0.844 30.984 31.823 0.008 0.000 0.675 6 V HN 0.835 nan 8.190 nan 0.000 0.461 7 D N 0.002 120.385 120.400 -0.029 0.000 2.117 7 D HA -0.156 4.483 4.640 -0.002 0.000 0.198 7 D C 2.338 178.591 176.300 -0.078 0.000 0.982 7 D CA 1.172 55.143 54.000 -0.048 0.000 0.828 7 D CB -0.119 40.648 40.800 -0.055 0.000 0.967 7 D HN 0.523 nan 8.370 nan 0.000 0.464 8 Q N -0.080 119.647 119.800 -0.121 0.000 2.112 8 Q HA -0.150 4.189 4.340 -0.002 0.000 0.206 8 Q C 2.280 178.192 176.000 -0.147 0.000 0.987 8 Q CA 1.001 56.663 55.803 -0.235 0.000 0.858 8 Q CB -0.103 28.369 28.738 -0.443 0.000 0.905 8 Q HN 0.273 nan 8.270 nan 0.000 0.420 9 M N 0.043 119.624 119.600 -0.031 0.000 2.159 9 M HA -0.168 4.310 4.480 -0.002 0.000 0.263 9 M C 2.143 178.449 176.300 0.010 0.000 1.063 9 M CA 1.451 56.775 55.300 0.040 0.000 1.110 9 M CB -0.736 31.908 32.600 0.073 0.000 1.374 9 M HN 0.184 nan 8.290 nan 0.000 0.411 10 R N -0.644 119.849 120.500 -0.013 0.000 2.115 10 R HA -0.103 4.236 4.340 -0.002 0.000 0.230 10 R C 2.423 178.707 176.300 -0.027 0.000 1.111 10 R CA 1.595 57.685 56.100 -0.016 0.000 0.976 10 R CB -0.050 30.237 30.300 -0.021 0.000 0.870 10 R HN 0.281 nan 8.270 nan 0.000 0.445 11 S N 0.286 115.957 115.700 -0.049 0.000 2.368 11 S HA -0.097 4.372 4.470 -0.002 0.000 0.224 11 S C 1.852 176.428 174.600 -0.041 0.000 1.029 11 S CA 0.794 58.959 58.200 -0.058 0.000 0.988 11 S CB -0.083 63.059 63.200 -0.096 0.000 0.838 11 S HN 0.262 nan 8.310 nan 0.000 0.462 12 L N 1.522 122.729 121.223 -0.028 0.000 2.083 12 L HA 0.144 4.482 4.340 -0.002 0.000 0.209 12 L C 2.457 179.342 176.870 0.026 0.000 1.083 12 L CA 1.638 56.491 54.840 0.021 0.000 0.752 12 L CB -0.637 41.473 42.059 0.085 0.000 0.899 12 L HN 0.411 nan 8.230 nan 0.000 0.433 13 M N -1.465 118.146 119.600 0.019 0.000 2.549 13 M HA -0.152 4.326 4.480 -0.002 0.000 0.260 13 M C 1.281 177.580 176.300 -0.002 0.000 1.076 13 M CA 0.906 56.214 55.300 0.013 0.000 1.090 13 M CB -0.322 32.283 32.600 0.007 0.000 1.418 13 M HN 0.217 nan 8.290 nan 0.000 0.486 14 D N 0.864 121.258 120.400 -0.010 0.000 2.213 14 D HA -0.011 4.628 4.640 -0.002 0.000 0.205 14 D C 0.452 176.743 176.300 -0.015 0.000 0.961 14 D CA 0.829 54.820 54.000 -0.016 0.000 0.853 14 D CB 0.350 41.136 40.800 -0.023 0.000 0.967 14 D HN 0.302 nan 8.370 nan 0.000 0.496 15 K N 2.119 122.509 120.400 -0.017 0.000 2.333 15 K HA 0.124 4.443 4.320 -0.002 0.000 0.241 15 K C 1.333 177.930 176.600 -0.005 0.000 1.193 15 K CA -0.083 56.190 56.287 -0.023 0.000 1.142 15 K CB 1.116 33.584 32.500 -0.053 0.000 1.731 15 K HN -0.037 nan 8.250 nan 0.000 0.344 16 V N -1.097 118.821 119.914 0.005 0.000 3.186 16 V HA -0.190 3.929 4.120 -0.002 0.000 0.270 16 V C 1.622 177.741 176.094 0.042 0.000 1.149 16 V CA 1.723 64.036 62.300 0.021 0.000 1.160 16 V CB -1.423 30.406 31.823 0.010 0.000 0.758 16 V HN 0.519 nan 8.190 nan 0.000 0.516 17 T N -2.149 112.427 114.554 0.037 0.000 3.088 17 T HA 0.096 4.444 4.350 -0.002 0.000 0.259 17 T C 1.025 175.795 174.700 0.118 0.000 1.122 17 T CA 0.916 63.054 62.100 0.065 0.000 1.095 17 T CB -0.458 68.436 68.868 0.043 0.000 0.930 17 T HN 0.520 nan 8.240 nan 0.000 0.508 18 N N 0.802 119.549 118.700 0.078 0.000 2.401 18 N HA 0.378 5.117 4.740 -0.002 0.000 0.264 18 N C -1.040 174.616 175.510 0.244 0.000 1.238 18 N CA -0.141 52.973 53.050 0.107 0.000 0.889 18 N CB 0.967 39.255 38.487 -0.332 0.000 1.196 18 N HN 0.235 nan 8.380 nan 0.000 0.511 19 V N 0.429 120.459 119.914 0.195 0.000 2.919 19 V HA 0.571 4.690 4.120 -0.002 0.000 0.316 19 V C -0.155 176.024 176.094 0.143 0.000 1.077 19 V CA -0.854 61.540 62.300 0.157 0.000 0.977 19 V CB 2.426 34.301 31.823 0.088 0.000 1.039 19 V HN 0.048 nan 8.190 nan 0.000 0.441 20 R N 2.500 123.067 120.500 0.112 0.000 2.521 20 R HA 0.361 4.700 4.340 -0.002 0.000 0.295 20 R C -1.267 175.072 176.300 0.064 0.000 1.183 20 R CA -0.537 55.609 56.100 0.077 0.000 0.957 20 R CB 1.235 31.566 30.300 0.051 0.000 1.171 20 R HN 0.606 nan 8.270 nan 0.000 0.494 21 N N 4.318 123.052 118.700 0.058 0.000 2.439 21 N HA 0.242 4.980 4.740 -0.002 0.000 0.243 21 N C 0.109 175.659 175.510 0.067 0.000 1.088 21 N CA -0.105 52.979 53.050 0.057 0.000 0.940 21 N CB 0.952 39.462 38.487 0.038 0.000 1.180 21 N HN 0.437 nan 8.380 nan 0.000 0.505 22 M N -0.663 118.976 119.600 0.065 0.000 2.907 22 M HA 0.707 5.186 4.480 -0.002 0.000 0.282 22 M C -0.027 176.308 176.300 0.057 0.000 1.259 22 M CA -1.006 54.329 55.300 0.059 0.000 0.753 22 M CB 1.150 33.775 32.600 0.042 0.000 1.744 22 M HN 0.187 nan 8.290 nan 0.000 0.434 23 S N -1.082 114.644 115.700 0.043 0.000 2.727 23 S HA 0.897 5.366 4.470 -0.002 0.000 0.278 23 S C -1.712 172.898 174.600 0.017 0.000 1.186 23 S CA -0.777 57.442 58.200 0.033 0.000 0.836 23 S CB 1.355 64.580 63.200 0.041 0.000 1.186 23 S HN 0.950 nan 8.310 nan 0.000 0.499 24 V N 1.471 121.390 119.914 0.009 0.000 2.407 24 V HA 0.511 4.630 4.120 -0.002 0.000 0.291 24 V C -0.774 175.324 176.094 0.006 0.000 1.018 24 V CA -0.522 61.778 62.300 0.000 0.000 0.842 24 V CB 1.043 32.862 31.823 -0.007 0.000 0.996 24 V HN 0.782 nan 8.190 nan 0.000 0.426 25 I N 4.541 125.115 120.570 0.006 0.000 2.336 25 I HA 0.812 4.980 4.170 -0.002 0.000 0.292 25 I C 0.324 176.455 176.117 0.024 0.000 0.991 25 I CA -0.022 61.286 61.300 0.013 0.000 1.227 25 I CB 1.579 39.587 38.000 0.013 0.000 1.366 25 I HN 0.747 nan 8.210 nan 0.000 0.466 26 A N 5.076 127.918 122.820 0.037 0.000 2.610 26 A HA 0.453 4.771 4.320 -0.002 0.000 0.291 26 A C -1.099 176.545 177.584 0.100 0.000 1.086 26 A CA -0.603 51.486 52.037 0.086 0.000 0.677 26 A CB 1.289 20.341 19.000 0.087 0.000 1.278 26 A HN 0.693 nan 8.150 nan 0.000 0.414 27 H N -0.011 119.095 119.070 0.060 0.000 2.660 27 H HA 0.256 4.811 4.556 -0.002 0.000 0.374 27 H C 1.492 176.690 175.328 -0.218 0.000 1.291 27 H CA 0.950 56.946 56.048 -0.087 0.000 1.437 27 H CB 1.294 30.970 29.762 -0.143 0.000 1.509 27 H HN 0.273 nan 8.280 nan 0.000 0.614 28 V N 1.037 121.099 119.914 0.247 0.000 2.324 28 V HA -0.204 3.915 4.120 -0.002 0.000 0.250 28 V C 0.511 176.576 176.094 -0.049 0.000 1.060 28 V CA 2.279 64.627 62.300 0.080 0.000 1.042 28 V CB -0.235 31.640 31.823 0.087 0.000 0.650 28 V HN 0.683 nan 8.190 nan 0.000 0.450 29 D N -1.423 118.830 120.400 -0.245 0.000 2.513 29 D HA 0.264 4.902 4.640 -0.002 0.000 0.295 29 D C -0.292 175.887 176.300 -0.202 0.000 1.202 29 D CA -0.190 53.693 54.000 -0.196 0.000 0.849 29 D CB 0.548 41.263 40.800 -0.142 0.000 1.116 29 D HN 0.367 nan 8.370 nan 0.000 0.502 30 H N -0.252 118.801 119.070 -0.029 0.000 2.916 30 H HA 0.268 4.823 4.556 -0.002 0.000 0.262 30 H C 1.499 176.798 175.328 -0.050 0.000 1.178 30 H CA 0.094 56.110 56.048 -0.054 0.000 1.090 30 H CB 1.286 31.023 29.762 -0.041 0.000 1.657 30 H HN 0.569 nan 8.280 nan 0.000 0.601 31 G N 1.571 110.411 108.800 0.067 0.000 2.132 31 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.234 31 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.234 31 G C 1.406 176.311 174.900 0.008 0.000 0.989 31 G CA 0.595 45.707 45.100 0.020 0.000 0.676 31 G HN 0.432 nan 8.290 nan 0.000 0.522 32 K N 0.320 120.733 120.400 0.021 0.000 2.152 32 K HA -0.061 4.258 4.320 -0.002 0.000 0.206 32 K C 2.396 178.993 176.600 -0.005 0.000 1.048 32 K CA 2.094 58.386 56.287 0.008 0.000 0.933 32 K CB -0.204 32.305 32.500 0.016 0.000 0.721 32 K HN 0.392 nan 8.250 nan 0.000 0.447 33 S N -0.356 115.341 115.700 -0.005 0.000 2.404 33 S HA -0.078 4.390 4.470 -0.002 0.000 0.223 33 S C 1.886 176.480 174.600 -0.010 0.000 1.040 33 S CA 1.202 59.396 58.200 -0.010 0.000 0.957 33 S CB -0.029 63.165 63.200 -0.011 0.000 0.826 33 S HN 0.653 nan 8.310 nan 0.000 0.491 34 T N 1.399 115.948 114.554 -0.008 0.000 2.833 34 T HA 0.036 4.385 4.350 -0.002 0.000 0.269 34 T C 1.723 176.415 174.700 -0.014 0.000 1.054 34 T CA 0.864 62.959 62.100 -0.007 0.000 1.135 34 T CB -0.549 68.317 68.868 -0.003 0.000 0.869 34 T HN 0.205 nan 8.240 nan 0.000 0.466 35 L N 1.450 122.659 121.223 -0.022 0.000 2.044 35 L HA -0.030 4.309 4.340 -0.002 0.000 0.205 35 L C 3.367 180.222 176.870 -0.025 0.000 1.075 35 L CA 1.817 56.638 54.840 -0.033 0.000 0.747 35 L CB -0.864 41.168 42.059 -0.046 0.000 0.903 35 L HN 0.539 nan 8.230 nan 0.000 0.435 36 T N -4.300 110.242 114.554 -0.020 0.000 2.821 36 T HA -0.225 4.123 4.350 -0.002 0.000 0.267 36 T C 1.674 176.366 174.700 -0.012 0.000 1.046 36 T CA 1.201 63.292 62.100 -0.016 0.000 1.139 36 T CB -0.327 68.533 68.868 -0.014 0.000 0.871 36 T HN 0.233 nan 8.240 nan 0.000 0.454 37 D N 0.987 121.380 120.400 -0.011 0.000 2.123 37 D HA -0.132 4.507 4.640 -0.002 0.000 0.196 37 D C 2.346 178.644 176.300 -0.004 0.000 0.992 37 D CA 1.426 55.421 54.000 -0.008 0.000 0.833 37 D CB -0.349 40.447 40.800 -0.007 0.000 0.954 37 D HN 0.450 nan 8.370 nan 0.000 0.455 38 S N -0.400 115.298 115.700 -0.005 0.000 2.365 38 S HA -0.154 4.315 4.470 -0.002 0.000 0.225 38 S C 2.334 176.934 174.600 0.001 0.000 1.039 38 S CA 1.013 59.214 58.200 0.000 0.000 1.033 38 S CB -0.352 62.845 63.200 -0.004 0.000 0.887 38 S HN 0.267 nan 8.310 nan 0.000 0.447 39 L N 0.881 122.101 121.223 -0.005 0.000 1.989 39 L HA -0.106 4.233 4.340 -0.002 0.000 0.211 39 L C 2.513 179.384 176.870 0.001 0.000 1.071 39 L CA 1.367 56.205 54.840 -0.004 0.000 0.749 39 L CB -0.833 41.221 42.059 -0.008 0.000 0.890 39 L HN 0.212 nan 8.230 nan 0.000 0.431 40 V N -0.239 119.675 119.914 0.000 0.000 2.317 40 V HA -0.379 3.740 4.120 -0.002 0.000 0.251 40 V C 2.475 178.570 176.094 0.003 0.000 1.065 40 V CA 2.066 64.368 62.300 0.002 0.000 1.049 40 V CB -0.725 31.097 31.823 -0.001 0.000 0.651 40 V HN 0.554 nan 8.190 nan 0.000 0.450 41 Q N -0.852 118.951 119.800 0.005 0.000 2.224 41 Q HA -0.200 4.139 4.340 -0.002 0.000 0.203 41 Q C 2.386 178.391 176.000 0.009 0.000 0.970 41 Q CA 1.281 57.088 55.803 0.007 0.000 0.865 41 Q CB -0.150 28.593 28.738 0.009 0.000 0.922 41 Q HN 0.485 nan 8.270 nan 0.000 0.445 42 R N 0.811 121.317 120.500 0.010 0.000 2.057 42 R HA 0.048 4.386 4.340 -0.002 0.000 0.224 42 R C 1.340 177.649 176.300 0.014 0.000 1.136 42 R CA 1.659 57.767 56.100 0.013 0.000 0.968 42 R CB -0.294 30.013 30.300 0.012 0.000 0.863 42 R HN 0.127 nan 8.270 nan 0.000 0.433 43 A N -0.505 122.322 122.820 0.012 0.000 2.431 43 A HA 0.431 4.750 4.320 -0.002 0.000 0.239 43 A C 0.704 178.298 177.584 0.016 0.000 1.230 43 A CA 0.063 52.114 52.037 0.022 0.000 0.928 43 A CB -0.073 18.939 19.000 0.019 0.000 1.006 43 A HN 0.372 nan 8.150 nan 0.000 0.520 44 G N 0.647 109.447 108.800 0.000 0.000 2.305 44 G HA2 0.385 4.343 3.960 -0.002 0.000 0.243 44 G HA3 0.385 4.343 3.960 -0.002 0.000 0.243 44 G C 0.025 174.894 174.900 -0.051 0.000 1.288 44 G CA 0.093 45.188 45.100 -0.009 0.000 0.901 44 G HN 0.367 nan 8.290 nan 0.000 0.516 45 I N 1.584 122.117 120.570 -0.062 0.000 2.577 45 I HA 0.499 4.667 4.170 -0.002 0.000 0.300 45 I C 0.397 176.469 176.117 -0.075 0.000 0.990 45 I CA -0.510 60.699 61.300 -0.151 0.000 1.283 45 I CB 1.560 39.480 38.000 -0.135 0.000 1.411 45 I HN 0.341 nan 8.210 nan 0.000 0.515 46 I N 2.067 122.582 120.570 -0.093 0.000 3.095 46 I HA 0.271 4.440 4.170 -0.002 0.000 0.310 46 I C -0.127 175.989 176.117 -0.002 0.000 1.196 46 I CA -0.591 60.700 61.300 -0.015 0.000 0.985 46 I CB 2.461 40.452 38.000 -0.017 0.000 1.250 46 I HN 0.715 nan 8.210 nan 0.000 0.446 47 S N 4.652 120.362 115.700 0.016 0.000 2.516 47 S HA 0.290 4.759 4.470 -0.002 0.000 0.282 47 S C 0.832 175.433 174.600 0.002 0.000 1.286 47 S CA 0.145 58.351 58.200 0.010 0.000 1.066 47 S CB 1.503 64.689 63.200 -0.023 0.000 0.884 47 S HN 0.794 nan 8.310 nan 0.000 0.491 48 A N 4.591 127.427 122.820 0.027 0.000 1.828 48 A HA 0.329 4.648 4.320 -0.002 0.000 0.215 48 A C 1.553 179.137 177.584 0.000 0.000 1.203 48 A CA 1.059 53.113 52.037 0.028 0.000 0.614 48 A CB -1.433 17.596 19.000 0.048 0.000 0.844 48 A HN 1.603 nan 8.150 nan 0.000 0.445 49 A N -0.240 122.576 122.820 -0.008 0.000 2.492 49 A HA 0.522 4.840 4.320 -0.002 0.000 0.254 49 A C 0.336 177.894 177.584 -0.043 0.000 1.091 49 A CA 0.184 52.208 52.037 -0.021 0.000 0.768 49 A CB 0.104 19.092 19.000 -0.019 0.000 1.028 49 A HN 0.421 nan 8.150 nan 0.000 0.498 66 R N 2.462 122.960 120.500 -0.004 0.000 3.971 66 R HA 0.710 5.048 4.340 -0.002 0.000 0.243 66 R C -0.727 175.573 176.300 -0.000 0.000 1.054 66 R CA -0.712 55.387 56.100 -0.003 0.000 1.243 66 R CB 0.719 31.018 30.300 -0.003 0.000 1.244 66 R HN 0.860 nan 8.270 nan 0.000 0.547 67 G N 1.759 110.561 108.800 0.004 0.000 2.368 67 G HA2 0.514 4.472 3.960 -0.002 0.000 0.293 67 G HA3 0.514 4.472 3.960 -0.002 0.000 0.293 67 G C -1.913 172.999 174.900 0.021 0.000 1.467 67 G CA -0.807 44.300 45.100 0.012 0.000 0.804 67 G HN 0.508 nan 8.290 nan 0.000 0.535 68 I N -0.229 120.368 120.570 0.044 0.000 2.769 68 I HA 0.766 4.934 4.170 -0.002 0.000 0.298 68 I C -0.666 175.508 176.117 0.095 0.000 1.128 68 I CA -0.585 60.744 61.300 0.048 0.000 1.031 68 I CB 2.707 40.741 38.000 0.057 0.000 1.235 68 I HN 0.611 nan 8.210 nan 0.000 0.423 69 T N 6.275 120.839 114.554 0.017 0.000 2.932 69 T HA 0.572 4.921 4.350 -0.002 0.000 0.318 69 T C -1.147 173.473 174.700 -0.134 0.000 1.265 69 T CA -0.398 61.692 62.100 -0.016 0.000 1.036 69 T CB 1.994 70.836 68.868 -0.044 0.000 1.209 69 T HN 0.517 nan 8.240 nan 0.000 0.484 70 I N -1.046 119.423 120.570 -0.168 0.000 2.934 70 I HA 0.682 4.850 4.170 -0.002 0.000 0.306 70 I C -0.516 175.479 176.117 -0.205 0.000 1.110 70 I CA -1.213 59.959 61.300 -0.212 0.000 1.019 70 I CB 2.059 39.951 38.000 -0.179 0.000 1.227 70 I HN 0.396 nan 8.210 nan 0.000 0.434 71 K N 3.264 123.548 120.400 -0.193 0.000 2.383 71 K HA 0.148 4.467 4.320 -0.002 0.000 0.286 71 K C 0.108 176.609 176.600 -0.165 0.000 1.051 71 K CA -0.007 56.178 56.287 -0.169 0.000 0.974 71 K CB 0.775 33.187 32.500 -0.147 0.000 0.968 71 K HN 0.777 nan 8.250 nan 0.000 0.475 72 S N 2.908 118.506 115.700 -0.170 0.000 2.593 72 S HA -0.040 4.428 4.470 -0.002 0.000 0.300 72 S C 0.413 174.910 174.600 -0.172 0.000 1.267 72 S CA 0.345 58.448 58.200 -0.161 0.000 1.065 72 S CB 0.269 63.380 63.200 -0.149 0.000 0.807 72 S HN 0.760 nan 8.310 nan 0.000 0.499 73 T N 3.079 117.509 114.554 -0.207 0.000 3.028 73 T HA 0.535 4.883 4.350 -0.002 0.000 0.262 73 T C -0.119 174.370 174.700 -0.351 0.000 0.916 73 T CA 0.370 62.258 62.100 -0.353 0.000 0.873 73 T CB 0.656 69.176 68.868 -0.579 0.000 1.232 73 T HN 0.841 nan 8.240 nan 0.000 0.529 74 A N 0.966 123.690 122.820 -0.160 0.000 2.608 74 A HA 0.804 5.122 4.320 -0.002 0.000 0.292 74 A C -2.045 175.549 177.584 0.016 0.000 1.066 74 A CA -0.767 51.257 52.037 -0.023 0.000 0.676 74 A CB 0.980 20.072 19.000 0.154 0.000 1.277 74 A HN 0.236 nan 8.150 nan 0.000 0.413 75 I N 0.121 120.714 120.570 0.037 0.000 2.969 75 I HA 0.562 4.731 4.170 -0.002 0.000 0.307 75 I C -0.293 175.857 176.117 0.056 0.000 1.149 75 I CA -0.768 60.553 61.300 0.035 0.000 1.008 75 I CB 2.614 40.621 38.000 0.011 0.000 1.232 75 I HN 0.500 nan 8.210 nan 0.000 0.435 76 S N 3.977 119.711 115.700 0.056 0.000 2.502 76 S HA 0.715 5.184 4.470 -0.002 0.000 0.304 76 S C -0.885 173.752 174.600 0.061 0.000 1.097 76 S CA -0.509 57.733 58.200 0.070 0.000 1.045 76 S CB 1.508 64.757 63.200 0.081 0.000 1.019 76 S HN 0.193 nan 8.310 nan 0.000 0.481 77 L N 3.083 124.354 121.223 0.080 0.000 2.342 77 L HA 0.596 4.935 4.340 -0.002 0.000 0.271 77 L C -0.740 176.224 176.870 0.156 0.000 1.008 77 L CA -0.734 54.154 54.840 0.081 0.000 0.818 77 L CB 0.963 43.052 42.059 0.050 0.000 1.296 77 L HN 0.728 nan 8.230 nan 0.000 0.427 78 Y N 1.460 121.767 120.300 0.012 0.000 2.446 78 Y HA 0.733 5.281 4.550 -0.004 0.000 0.345 78 Y C -0.451 175.501 175.900 0.087 0.000 0.984 78 Y CA -0.674 57.468 58.100 0.070 0.000 1.058 78 Y CB 2.051 40.530 38.460 0.032 0.000 1.220 78 Y HN 0.623 nan 8.280 nan 0.000 0.455 79 S N 4.695 120.011 115.700 -0.639 0.000 2.543 79 S HA 0.551 5.020 4.470 -0.002 0.000 0.271 79 S C -1.932 172.422 174.600 -0.410 0.000 1.148 79 S CA -0.822 57.109 58.200 -0.449 0.000 0.914 79 S CB 1.379 64.492 63.200 -0.144 0.000 1.096 79 S HN 0.765 nan 8.310 nan 0.000 0.471 80 E N 3.373 123.414 120.200 -0.265 0.000 2.191 80 E HA 0.499 4.848 4.350 -0.002 0.000 0.274 80 E C -0.343 176.271 176.600 0.023 0.000 0.948 80 E CA -0.991 55.363 56.400 -0.077 0.000 0.802 80 E CB 1.385 31.067 29.700 -0.029 0.000 1.137 80 E HN 0.541 nan 8.360 nan 0.000 0.397 81 M N 0.719 120.381 119.600 0.102 0.000 2.799 81 M HA 0.343 4.822 4.480 -0.002 0.000 0.274 81 M C 0.283 176.616 176.300 0.055 0.000 1.137 81 M CA -0.795 54.553 55.300 0.080 0.000 0.897 81 M CB 1.217 33.903 32.600 0.142 0.000 1.567 81 M HN 0.519 nan 8.290 nan 0.000 0.536 82 S N -0.652 115.071 115.700 0.037 0.000 2.525 82 S HA 0.272 4.741 4.470 -0.002 0.000 0.290 82 S C 0.430 175.049 174.600 0.032 0.000 1.152 82 S CA -0.699 57.518 58.200 0.027 0.000 1.072 82 S CB 1.185 64.392 63.200 0.013 0.000 1.027 82 S HN 0.572 nan 8.310 nan 0.000 0.500 83 D N 1.931 122.347 120.400 0.027 0.000 2.218 83 D HA -0.240 4.399 4.640 -0.002 0.000 0.194 83 D C 1.846 178.160 176.300 0.023 0.000 1.007 83 D CA 2.233 56.248 54.000 0.025 0.000 0.879 83 D CB 0.019 40.829 40.800 0.017 0.000 0.918 83 D HN 0.973 nan 8.370 nan 0.000 0.449 84 E N 0.503 120.713 120.200 0.017 0.000 2.076 84 E HA -0.124 4.225 4.350 -0.002 0.000 0.190 84 E C 1.429 178.035 176.600 0.010 0.000 0.979 84 E CA 0.771 57.179 56.400 0.013 0.000 0.807 84 E CB -0.167 29.538 29.700 0.008 0.000 0.761 84 E HN 0.015 nan 8.360 nan 0.000 0.454 85 D N 1.009 121.413 120.400 0.007 0.000 2.263 85 D HA -0.096 4.543 4.640 -0.002 0.000 0.208 85 D C 1.977 178.278 176.300 0.002 0.000 0.971 85 D CA 0.872 54.867 54.000 -0.008 0.000 0.867 85 D CB 0.217 41.006 40.800 -0.019 0.000 0.929 85 D HN 0.136 nan 8.370 nan 0.000 0.492 86 V N 0.554 120.494 119.914 0.042 0.000 3.217 86 V HA -0.082 4.037 4.120 -0.002 0.000 0.264 86 V C 2.043 178.168 176.094 0.053 0.000 1.135 86 V CA 0.979 63.330 62.300 0.084 0.000 1.142 86 V CB -0.236 31.656 31.823 0.115 0.000 0.754 86 V HN 0.132 nan 8.190 nan 0.000 0.484 87 K N 0.003 120.419 120.400 0.027 0.000 2.356 87 K HA 0.065 4.383 4.320 -0.002 0.000 0.195 87 K C 1.555 178.160 176.600 0.008 0.000 1.037 87 K CA 0.382 56.680 56.287 0.019 0.000 1.014 87 K CB 0.182 32.692 32.500 0.015 0.000 0.815 87 K HN 0.541 nan 8.250 nan 0.000 0.507 88 E N 0.809 121.005 120.200 -0.007 0.000 2.489 88 E HA 0.047 4.396 4.350 -0.002 0.000 0.193 88 E C 0.110 176.684 176.600 -0.042 0.000 1.057 88 E CA 0.118 56.504 56.400 -0.023 0.000 0.866 88 E CB 0.183 29.861 29.700 -0.036 0.000 0.916 88 E HN 0.252 nan 8.360 nan 0.000 0.500 89 I N 2.776 123.328 120.570 -0.030 0.000 2.357 89 I HA -0.014 4.154 4.170 -0.002 0.000 0.300 89 I C 0.492 176.609 176.117 -0.001 0.000 1.159 89 I CA -0.182 61.097 61.300 -0.034 0.000 1.339 89 I CB -0.048 37.960 38.000 0.013 0.000 1.458 89 I HN -0.273 nan 8.210 nan 0.000 0.577 90 K N 6.467 126.864 120.400 -0.005 0.000 2.199 90 K HA 0.126 4.444 4.320 -0.002 0.000 0.226 90 K C -0.488 176.130 176.600 0.029 0.000 1.237 90 K CA 0.313 56.610 56.287 0.016 0.000 1.170 90 K CB -0.279 32.234 32.500 0.022 0.000 1.418 90 K HN 0.602 nan 8.250 nan 0.000 0.255 91 Q N 1.820 121.642 119.800 0.037 0.000 2.774 91 Q HA 0.050 4.389 4.340 -0.002 0.000 0.232 91 Q C -1.461 174.576 176.000 0.062 0.000 0.985 91 Q CA -0.872 54.963 55.803 0.053 0.000 1.058 91 Q CB 0.596 29.369 28.738 0.059 0.000 1.789 91 Q HN 0.166 nan 8.270 nan 0.000 0.487 92 K N 2.307 122.742 120.400 0.058 0.000 2.364 92 K HA 0.020 4.339 4.320 -0.002 0.000 0.265 92 K C -1.137 175.503 176.600 0.066 0.000 1.189 92 K CA 1.345 57.663 56.287 0.053 0.000 1.224 92 K CB -0.151 32.376 32.500 0.045 0.000 0.813 92 K HN 0.551 nan 8.250 nan 0.000 0.490 93 T N 2.967 117.558 114.554 0.062 0.000 2.841 93 T HA 0.419 4.768 4.350 -0.002 0.000 0.276 93 T C -0.888 173.818 174.700 0.011 0.000 1.003 93 T CA -0.757 61.385 62.100 0.069 0.000 0.995 93 T CB 1.024 69.961 68.868 0.115 0.000 1.260 93 T HN 0.586 nan 8.240 nan 0.000 0.581 94 D N -0.094 120.281 120.400 -0.042 0.000 3.117 94 D HA 0.399 5.037 4.640 -0.002 0.000 0.241 94 D C -0.157 176.070 176.300 -0.121 0.000 1.385 94 D CA 0.316 54.277 54.000 -0.065 0.000 0.855 94 D CB -0.032 40.735 40.800 -0.055 0.000 1.498 94 D HN 1.072 nan 8.370 nan 0.000 0.584 95 G N 1.750 110.484 108.800 -0.109 0.000 2.497 95 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.686 95 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.686 95 G C 0.342 175.134 174.900 -0.181 0.000 1.288 95 G CA -0.579 44.444 45.100 -0.129 0.000 0.899 95 G HN 0.220 nan 8.290 nan 0.000 0.608 96 N N -0.472 118.159 118.700 -0.115 0.000 2.515 96 N HA 0.181 4.920 4.740 -0.002 0.000 0.185 96 N C 1.061 176.488 175.510 -0.139 0.000 1.109 96 N CA 1.219 54.229 53.050 -0.066 0.000 0.903 96 N CB 0.166 38.651 38.487 -0.003 0.000 0.969 96 N HN 0.574 nan 8.380 nan 0.000 0.450 97 S N -0.644 114.878 115.700 -0.297 0.000 2.687 97 S HA 0.613 5.082 4.470 -0.002 0.000 0.283 97 S C -0.765 173.398 174.600 -0.729 0.000 1.170 97 S CA -0.388 57.642 58.200 -0.283 0.000 1.008 97 S CB 1.134 64.363 63.200 0.049 0.000 1.026 97 S HN 0.041 nan 8.310 nan 0.000 0.541 98 F N 0.545 120.479 119.950 -0.027 0.000 2.641 98 F HA 0.518 5.045 4.527 -0.000 0.000 0.308 98 F C -1.019 174.836 175.800 0.091 0.000 1.105 98 F CA -0.900 57.106 58.000 0.009 0.000 0.964 98 F CB 1.473 40.443 39.000 -0.051 0.000 1.294 98 F HN 0.313 nan 8.300 nan 0.000 0.442 99 L N 4.801 126.209 121.223 0.309 0.000 2.353 99 L HA 0.627 4.966 4.340 -0.002 0.000 0.270 99 L C -1.374 175.607 176.870 0.186 0.000 1.003 99 L CA -0.405 54.591 54.840 0.259 0.000 0.862 99 L CB 0.381 42.570 42.059 0.217 0.000 1.221 99 L HN 0.340 nan 8.230 nan 0.000 0.430 100 I N 3.713 124.373 120.570 0.149 0.000 2.440 100 I HA 0.343 4.512 4.170 -0.002 0.000 0.294 100 I C -0.058 176.112 176.117 0.089 0.000 0.995 100 I CA -0.281 61.077 61.300 0.096 0.000 1.306 100 I CB 1.260 39.293 38.000 0.056 0.000 1.407 100 I HN 0.596 nan 8.210 nan 0.000 0.501 101 N N 5.155 123.901 118.700 0.077 0.000 2.518 101 N HA 0.234 4.973 4.740 -0.002 0.000 0.254 101 N C -0.982 174.571 175.510 0.071 0.000 0.979 101 N CA -0.504 52.594 53.050 0.080 0.000 0.930 101 N CB 2.116 40.652 38.487 0.083 0.000 1.152 101 N HN 0.341 nan 8.380 nan 0.000 0.505 102 L N 4.967 126.227 121.223 0.061 0.000 2.315 102 L HA 0.470 4.808 4.340 -0.002 0.000 0.278 102 L C -0.315 176.582 176.870 0.045 0.000 1.088 102 L CA -0.387 54.479 54.840 0.043 0.000 0.899 102 L CB -0.204 41.869 42.059 0.025 0.000 1.277 102 L HN 0.398 nan 8.230 nan 0.000 0.431 103 I N 3.670 124.277 120.570 0.063 0.000 2.471 103 I HA 0.095 4.264 4.170 -0.002 0.000 0.286 103 I C 0.581 176.698 176.117 0.000 0.000 1.079 103 I CA -0.181 61.154 61.300 0.059 0.000 1.398 103 I CB 0.403 38.486 38.000 0.137 0.000 1.403 103 I HN 0.453 nan 8.210 nan 0.000 0.530 104 D N 4.664 125.026 120.400 -0.062 0.000 2.362 104 D HA 0.251 4.889 4.640 -0.002 0.000 0.242 104 D C -0.239 176.028 176.300 -0.055 0.000 1.132 104 D CA 0.389 54.349 54.000 -0.067 0.000 0.907 104 D CB 1.371 42.108 40.800 -0.105 0.000 1.195 104 D HN 0.602 nan 8.370 nan 0.000 0.429 105 S N 0.202 115.881 115.700 -0.035 0.000 2.546 105 S HA 0.528 4.997 4.470 -0.002 0.000 0.274 105 S C -2.844 171.742 174.600 -0.024 0.000 1.121 105 S CA -1.325 56.864 58.200 -0.019 0.000 0.887 105 S CB 2.156 65.358 63.200 0.004 0.000 1.094 105 S HN 0.193 nan 8.310 nan 0.000 0.474 106 P HA 0.222 nan 4.420 nan 0.000 0.269 106 P C 1.059 178.340 177.300 -0.032 0.000 1.263 106 P CA -0.078 63.003 63.100 -0.032 0.000 0.813 106 P CB 0.552 32.228 31.700 -0.040 0.000 0.868 107 G N 2.941 111.730 108.800 -0.017 0.000 2.575 107 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.215 107 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.215 107 G C 0.485 175.379 174.900 -0.009 0.000 1.262 107 G CA 0.355 45.451 45.100 -0.006 0.000 0.807 107 G HN 0.738 nan 8.290 nan 0.000 0.567 108 H N -0.207 118.832 119.070 -0.051 0.000 2.690 108 H HA 0.605 5.159 4.556 -0.002 0.000 0.280 108 H C -1.564 173.735 175.328 -0.049 0.000 1.138 108 H CA -0.272 55.740 56.048 -0.061 0.000 1.241 108 H CB 0.526 30.253 29.762 -0.059 0.000 1.394 108 H HN 0.013 nan 8.280 nan 0.000 0.489 109 V N 3.966 123.522 119.914 -0.597 0.000 3.178 109 V HA 0.053 4.172 4.120 -0.002 0.000 0.302 109 V C -0.626 175.250 176.094 -0.364 0.000 1.262 109 V CA -1.103 60.910 62.300 -0.478 0.000 1.030 109 V CB 2.481 34.187 31.823 -0.194 0.000 1.074 109 V HN 0.743 nan 8.190 nan 0.000 0.438 110 D N 1.650 121.904 120.400 -0.244 0.000 2.455 110 D HA 0.207 4.846 4.640 -0.002 0.000 0.241 110 D C 1.071 177.368 176.300 -0.006 0.000 1.138 110 D CA 0.377 54.296 54.000 -0.136 0.000 0.877 110 D CB 0.551 41.311 40.800 -0.066 0.000 1.187 110 D HN 0.452 nan 8.370 nan 0.000 0.451 111 F N 1.162 121.057 119.950 -0.091 0.000 2.723 111 F HA -0.423 4.102 4.527 -0.002 0.000 0.281 111 F C 1.385 177.153 175.800 -0.053 0.000 1.277 111 F CA 1.597 59.555 58.000 -0.069 0.000 1.504 111 F CB -0.328 38.637 39.000 -0.058 0.000 0.770 111 F HN 0.211 nan 8.300 nan 0.000 0.552 112 S N -0.695 115.149 115.700 0.239 0.000 2.457 112 S HA 0.477 4.946 4.470 -0.002 0.000 0.216 112 S C 0.044 174.676 174.600 0.053 0.000 1.392 112 S CA 0.095 58.337 58.200 0.070 0.000 1.102 112 S CB 1.627 64.788 63.200 -0.066 0.000 1.114 112 S HN 0.438 nan 8.310 nan 0.000 0.484 113 S N 1.655 117.393 115.700 0.064 0.000 5.768 113 S HA 0.019 4.487 4.470 -0.002 0.000 0.129 113 S C 0.861 175.502 174.600 0.068 0.000 1.124 113 S CA -0.086 58.156 58.200 0.070 0.000 1.411 113 S CB -0.588 62.655 63.200 0.071 0.000 1.995 113 S HN 0.410 nan 8.310 nan 0.000 0.565 114 E N 1.725 121.954 120.200 0.049 0.000 2.051 114 E HA -0.047 4.302 4.350 -0.002 0.000 0.192 114 E C 1.929 178.554 176.600 0.042 0.000 0.991 114 E CA 1.810 58.231 56.400 0.036 0.000 0.799 114 E CB -0.450 29.253 29.700 0.005 0.000 0.748 114 E HN 0.374 nan 8.360 nan 0.000 0.449 115 V N 0.832 120.769 119.914 0.040 0.000 2.216 115 V HA -0.300 3.819 4.120 -0.002 0.000 0.242 115 V C 2.161 178.296 176.094 0.067 0.000 1.042 115 V CA 2.322 64.650 62.300 0.046 0.000 0.991 115 V CB -1.232 30.619 31.823 0.048 0.000 0.633 115 V HN 0.322 nan 8.190 nan 0.000 0.449 116 T N 0.866 115.461 114.554 0.067 0.000 2.668 116 T HA -0.376 3.973 4.350 -0.002 0.000 0.265 116 T C 1.958 176.726 174.700 0.114 0.000 1.041 116 T CA 2.335 64.479 62.100 0.073 0.000 1.160 116 T CB -0.731 68.171 68.868 0.056 0.000 0.857 116 T HN 0.622 nan 8.240 nan 0.000 0.455 117 A N 1.439 124.338 122.820 0.131 0.000 1.883 117 A HA 0.126 4.445 4.320 -0.002 0.000 0.217 117 A C 2.721 180.432 177.584 0.212 0.000 1.186 117 A CA 2.170 54.323 52.037 0.193 0.000 0.624 117 A CB -1.283 17.808 19.000 0.151 0.000 0.822 117 A HN 0.587 nan 8.150 nan 0.000 0.444 118 A N -0.027 122.884 122.820 0.151 0.000 1.865 118 A HA -0.110 4.209 4.320 -0.002 0.000 0.217 118 A C 2.189 179.878 177.584 0.175 0.000 1.191 118 A CA 1.646 53.775 52.037 0.154 0.000 0.623 118 A CB -0.805 18.244 19.000 0.081 0.000 0.826 118 A HN 0.498 nan 8.150 nan 0.000 0.444 119 L N -1.252 120.053 121.223 0.137 0.000 2.013 119 L HA -0.230 4.108 4.340 -0.002 0.000 0.212 119 L C 2.689 179.660 176.870 0.168 0.000 1.073 119 L CA 1.877 56.794 54.840 0.129 0.000 0.753 119 L CB -0.608 41.507 42.059 0.094 0.000 0.890 119 L HN 0.429 nan 8.230 nan 0.000 0.432 120 R N 0.345 120.964 120.500 0.198 0.000 2.350 120 R HA -0.171 4.167 4.340 -0.002 0.000 0.246 120 R C 1.520 178.027 176.300 0.345 0.000 1.182 120 R CA 1.498 57.740 56.100 0.237 0.000 1.030 120 R CB -0.116 30.351 30.300 0.279 0.000 0.861 120 R HN 0.480 nan 8.270 nan 0.000 0.483 121 V N -2.559 117.547 119.914 0.319 0.000 3.214 121 V HA 0.252 4.371 4.120 -0.002 0.000 0.330 121 V C 0.030 176.224 176.094 0.167 0.000 1.403 121 V CA 0.080 62.543 62.300 0.271 0.000 1.143 121 V CB 0.302 32.241 31.823 0.193 0.000 1.098 121 V HN 0.211 nan 8.190 nan 0.000 0.463 122 T N -3.484 111.172 114.554 0.170 0.000 2.908 122 T HA 0.599 4.947 4.350 -0.002 0.000 0.290 122 T C -0.093 174.680 174.700 0.121 0.000 1.034 122 T CA -0.230 61.945 62.100 0.125 0.000 1.010 122 T CB 2.425 71.360 68.868 0.112 0.000 1.068 122 T HN 0.171 nan 8.240 nan 0.000 0.481 123 D N 0.778 121.240 120.400 0.103 0.000 2.455 123 D HA 0.245 4.884 4.640 -0.002 0.000 0.228 123 D C 0.973 177.344 176.300 0.118 0.000 1.070 123 D CA 0.238 54.305 54.000 0.112 0.000 0.881 123 D CB 0.685 41.543 40.800 0.097 0.000 1.087 123 D HN 0.812 nan 8.370 nan 0.000 0.498 124 G N -0.079 108.776 108.800 0.091 0.000 2.605 124 G HA2 0.672 4.631 3.960 -0.002 0.000 0.296 124 G HA3 0.672 4.631 3.960 -0.002 0.000 0.296 124 G C -1.475 173.457 174.900 0.054 0.000 1.304 124 G CA -0.418 44.727 45.100 0.074 0.000 0.941 124 G HN 0.170 nan 8.290 nan 0.000 0.475 125 A N -0.496 122.346 122.820 0.035 0.000 2.515 125 A HA 0.759 5.078 4.320 -0.002 0.000 0.296 125 A C -1.671 175.910 177.584 -0.004 0.000 1.094 125 A CA -0.637 51.412 52.037 0.020 0.000 0.718 125 A CB 2.035 21.048 19.000 0.022 0.000 1.307 125 A HN 1.435 nan 8.150 nan 0.000 0.408 126 L N 2.169 123.383 121.223 -0.014 0.000 2.384 126 L HA 0.524 4.863 4.340 -0.002 0.000 0.261 126 L C -1.051 175.793 176.870 -0.044 0.000 1.024 126 L CA -0.248 54.568 54.840 -0.040 0.000 0.899 126 L CB 1.040 43.075 42.059 -0.040 0.000 1.243 126 L HN 0.407 nan 8.230 nan 0.000 0.449 127 V N 5.059 124.940 119.914 -0.055 0.000 2.470 127 V HA 0.215 4.333 4.120 -0.002 0.000 0.276 127 V C 0.207 176.256 176.094 -0.076 0.000 1.040 127 V CA -0.328 61.944 62.300 -0.048 0.000 1.008 127 V CB 1.189 32.983 31.823 -0.048 0.000 0.990 127 V HN 0.424 nan 8.190 nan 0.000 0.477 128 V N 6.546 126.433 119.914 -0.044 0.000 2.383 128 V HA 0.438 4.556 4.120 -0.002 0.000 0.275 128 V C 0.080 176.133 176.094 -0.068 0.000 1.036 128 V CA -0.371 61.888 62.300 -0.067 0.000 0.889 128 V CB 1.442 33.252 31.823 -0.023 0.000 0.985 128 V HN 0.599 nan 8.190 nan 0.000 0.459 129 V N 3.302 123.119 119.914 -0.162 0.000 2.815 129 V HA 0.442 4.561 4.120 -0.002 0.000 0.314 129 V C -0.493 175.399 176.094 -0.338 0.000 1.064 129 V CA -0.729 61.440 62.300 -0.218 0.000 0.952 129 V CB 2.365 34.086 31.823 -0.170 0.000 1.020 129 V HN 0.946 nan 8.190 nan 0.000 0.439 130 D N 1.275 121.374 120.400 -0.502 0.000 2.225 130 D HA 0.276 4.915 4.640 -0.002 0.000 0.248 130 D C 1.137 177.332 176.300 -0.174 0.000 1.096 130 D CA 0.042 53.779 54.000 -0.438 0.000 0.863 130 D CB 1.933 42.328 40.800 -0.675 0.000 1.156 130 D HN 0.560 nan 8.370 nan 0.000 0.450 131 T N 3.541 118.052 114.554 -0.072 0.000 2.778 131 T HA -0.116 4.233 4.350 -0.002 0.000 0.269 131 T C 1.538 176.279 174.700 0.068 0.000 1.050 131 T CA 0.857 63.011 62.100 0.090 0.000 1.137 131 T CB 0.020 68.991 68.868 0.172 0.000 0.860 131 T HN 0.447 nan 8.240 nan 0.000 0.468 132 I N 0.555 121.129 120.570 0.006 0.000 2.726 132 I HA 0.118 4.287 4.170 -0.002 0.000 0.243 132 I C 2.193 178.309 176.117 -0.003 0.000 1.082 132 I CA 0.865 62.171 61.300 0.010 0.000 1.447 132 I CB -1.142 36.863 38.000 0.009 0.000 1.250 132 I HN 0.251 nan 8.210 nan 0.000 0.453 133 E N 1.245 121.428 120.200 -0.028 0.000 2.409 133 E HA 0.081 4.430 4.350 -0.002 0.000 0.198 133 E C 1.287 177.878 176.600 -0.015 0.000 1.024 133 E CA 0.545 56.937 56.400 -0.014 0.000 0.861 133 E CB -0.136 29.561 29.700 -0.005 0.000 0.788 133 E HN 0.569 nan 8.360 nan 0.000 0.521 134 G N 1.138 109.910 108.800 -0.046 0.000 2.575 134 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.267 134 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.267 134 G C -0.112 174.773 174.900 -0.026 0.000 1.264 134 G CA -0.141 44.941 45.100 -0.030 0.000 0.935 134 G HN 0.326 nan 8.290 nan 0.000 0.568 135 V N 1.010 120.933 119.914 0.015 0.000 2.408 135 V HA 0.515 4.634 4.120 -0.002 0.000 0.267 135 V C 0.849 177.012 176.094 0.115 0.000 1.047 135 V CA -0.036 62.298 62.300 0.057 0.000 0.937 135 V CB -0.277 31.567 31.823 0.034 0.000 0.999 135 V HN 1.001 nan 8.190 nan 0.000 0.472 136 C N 5.200 124.635 119.300 0.224 0.000 2.345 136 C HA 0.484 4.942 4.460 -0.002 0.000 0.370 136 C C 1.874 176.933 174.990 0.114 0.000 1.209 136 C CA -0.126 59.034 59.018 0.237 0.000 2.133 136 C CB 1.569 29.611 27.740 0.504 0.000 2.293 136 C HN 0.947 nan 8.230 nan 0.000 0.544 137 V N 0.994 120.939 119.914 0.051 0.000 2.225 137 V HA -0.353 3.765 4.120 -0.002 0.000 0.252 137 V C 2.168 178.219 176.094 -0.071 0.000 1.055 137 V CA 2.660 64.953 62.300 -0.013 0.000 1.032 137 V CB -1.612 30.187 31.823 -0.041 0.000 0.655 137 V HN 1.005 nan 8.190 nan 0.000 0.458 138 Q N 0.151 119.829 119.800 -0.204 0.000 2.118 138 Q HA -0.270 4.069 4.340 -0.002 0.000 0.211 138 Q C 2.305 178.234 176.000 -0.118 0.000 0.998 138 Q CA 3.202 58.866 55.803 -0.231 0.000 0.872 138 Q CB -0.548 27.944 28.738 -0.410 0.000 0.925 138 Q HN 0.840 nan 8.270 nan 0.000 0.414 139 T N 0.683 115.196 114.554 -0.069 0.000 2.635 139 T HA -0.241 4.107 4.350 -0.002 0.000 0.267 139 T C 1.558 176.278 174.700 0.033 0.000 1.040 139 T CA 1.670 63.793 62.100 0.038 0.000 1.156 139 T CB -0.354 68.593 68.868 0.133 0.000 0.863 139 T HN 0.464 nan 8.240 nan 0.000 0.430 140 E N 0.103 120.328 120.200 0.042 0.000 2.204 140 E HA -0.139 4.209 4.350 -0.002 0.000 0.194 140 E C 2.038 178.672 176.600 0.057 0.000 0.989 140 E CA 1.233 57.671 56.400 0.064 0.000 0.824 140 E CB -0.003 29.746 29.700 0.081 0.000 0.756 140 E HN 0.491 nan 8.360 nan 0.000 0.477 141 T N 0.274 114.848 114.554 0.032 0.000 2.770 141 T HA -0.092 4.256 4.350 -0.002 0.000 0.263 141 T C 1.997 176.726 174.700 0.048 0.000 1.039 141 T CA 1.344 63.477 62.100 0.055 0.000 1.142 141 T CB -0.194 68.692 68.868 0.029 0.000 0.868 141 T HN 0.044 nan 8.240 nan 0.000 0.435 142 V N 1.714 121.642 119.914 0.023 0.000 2.427 142 V HA -0.055 4.063 4.120 -0.002 0.000 0.248 142 V C 2.407 178.512 176.094 0.018 0.000 1.051 142 V CA 0.959 63.274 62.300 0.025 0.000 1.048 142 V CB -0.884 30.946 31.823 0.011 0.000 0.666 142 V HN 0.262 nan 8.190 nan 0.000 0.456 143 L N 1.671 122.906 121.223 0.020 0.000 2.046 143 L HA -0.169 4.170 4.340 -0.002 0.000 0.208 143 L C 2.770 179.649 176.870 0.014 0.000 1.077 143 L CA 2.308 57.163 54.840 0.025 0.000 0.747 143 L CB -0.786 41.296 42.059 0.038 0.000 0.896 143 L HN 0.476 nan 8.230 nan 0.000 0.432 144 R N -1.040 119.445 120.500 -0.025 0.000 2.096 144 R HA -0.175 4.163 4.340 -0.002 0.000 0.235 144 R C 2.029 178.233 176.300 -0.161 0.000 1.127 144 R CA 1.620 57.611 56.100 -0.182 0.000 0.968 144 R CB -0.844 29.172 30.300 -0.473 0.000 0.861 144 R HN 0.495 nan 8.270 nan 0.000 0.440 145 Q N 0.867 120.616 119.800 -0.084 0.000 2.002 145 Q HA -0.143 4.196 4.340 -0.002 0.000 0.204 145 Q C 2.485 178.475 176.000 -0.018 0.000 0.988 145 Q CA 1.945 57.719 55.803 -0.049 0.000 0.843 145 Q CB -0.305 28.437 28.738 0.007 0.000 0.908 145 Q HN 0.552 nan 8.270 nan 0.000 0.420 146 A N 1.158 123.983 122.820 0.008 0.000 1.892 146 A HA -0.209 4.110 4.320 -0.002 0.000 0.218 146 A C 2.136 179.741 177.584 0.035 0.000 1.188 146 A CA 1.439 53.495 52.037 0.030 0.000 0.631 146 A CB -0.927 18.094 19.000 0.035 0.000 0.822 146 A HN 0.317 nan 8.150 nan 0.000 0.447 147 L N -0.705 120.535 121.223 0.029 0.000 2.042 147 L HA -0.184 4.154 4.340 -0.002 0.000 0.210 147 L C 2.844 179.739 176.870 0.041 0.000 1.076 147 L CA 1.206 56.075 54.840 0.049 0.000 0.749 147 L CB -1.204 40.903 42.059 0.079 0.000 0.893 147 L HN 0.499 nan 8.230 nan 0.000 0.432 148 G N -0.193 108.609 108.800 0.003 0.000 2.507 148 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.221 148 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.221 148 G C 1.300 176.211 174.900 0.018 0.000 1.119 148 G CA 0.704 45.801 45.100 -0.005 0.000 0.751 148 G HN 0.362 nan 8.290 nan 0.000 0.574 149 E N 0.098 120.317 120.200 0.032 0.000 2.444 149 E HA 0.142 4.490 4.350 -0.002 0.000 0.191 149 E C 0.462 177.112 176.600 0.083 0.000 1.041 149 E CA -0.371 56.055 56.400 0.044 0.000 0.883 149 E CB 0.112 29.840 29.700 0.046 0.000 1.024 149 E HN 0.450 nan 8.360 nan 0.000 0.470 150 R N 0.457 121.016 120.500 0.098 0.000 3.336 150 R HA -0.159 4.179 4.340 -0.002 0.000 0.260 150 R C -0.289 176.127 176.300 0.194 0.000 1.032 150 R CA 0.348 56.542 56.100 0.156 0.000 0.693 150 R CB -2.280 28.169 30.300 0.247 0.000 1.134 150 R HN 0.201 nan 8.270 nan 0.000 0.433 151 I N 1.107 121.753 120.570 0.127 0.000 2.331 151 I HA 0.132 4.300 4.170 -0.002 0.000 0.292 151 I C 0.871 177.043 176.117 0.092 0.000 0.998 151 I CA -0.492 60.881 61.300 0.121 0.000 1.267 151 I CB 1.312 39.366 38.000 0.089 0.000 1.386 151 I HN 0.067 nan 8.210 nan 0.000 0.476 152 K N 8.945 129.404 120.400 0.099 0.000 2.339 152 K HA 0.311 4.629 4.320 -0.002 0.000 0.286 152 K C -2.390 174.228 176.600 0.030 0.000 1.050 152 K CA -1.268 55.052 56.287 0.055 0.000 0.956 152 K CB 0.803 33.339 32.500 0.061 0.000 0.990 152 K HN 0.256 nan 8.250 nan 0.000 0.475 153 P HA 0.214 nan 4.420 nan 0.000 0.290 153 P C -1.162 176.104 177.300 -0.056 0.000 1.275 153 P CA -0.605 62.481 63.100 -0.023 0.000 0.841 153 P CB 1.685 33.367 31.700 -0.030 0.000 1.042 154 V N 2.650 122.520 119.914 -0.073 0.000 2.686 154 V HA 0.270 4.389 4.120 -0.002 0.000 0.306 154 V C 0.106 176.112 176.094 -0.146 0.000 1.065 154 V CA -0.722 61.511 62.300 -0.112 0.000 0.894 154 V CB 2.475 34.257 31.823 -0.070 0.000 1.004 154 V HN 0.289 nan 8.190 nan 0.000 0.424 155 V N 4.628 124.412 119.914 -0.216 0.000 2.732 155 V HA 0.656 4.774 4.120 -0.002 0.000 0.310 155 V C -0.500 175.389 176.094 -0.343 0.000 1.053 155 V CA -0.600 61.542 62.300 -0.264 0.000 0.957 155 V CB 2.158 33.800 31.823 -0.302 0.000 1.018 155 V HN 0.589 nan 8.190 nan 0.000 0.452 156 V N 4.749 124.465 119.914 -0.331 0.000 2.498 156 V HA 0.392 4.511 4.120 -0.002 0.000 0.283 156 V C -0.321 175.545 176.094 -0.380 0.000 1.015 156 V CA -0.273 61.800 62.300 -0.378 0.000 0.867 156 V CB 1.399 33.066 31.823 -0.260 0.000 1.025 156 V HN 0.676 nan 8.190 nan 0.000 0.441 157 I N 4.165 124.425 120.570 -0.516 0.000 2.452 157 I HA 0.216 4.385 4.170 -0.002 0.000 0.287 157 I C 0.487 176.412 176.117 -0.321 0.000 1.079 157 I CA 0.395 61.455 61.300 -0.400 0.000 1.387 157 I CB 0.547 38.260 38.000 -0.479 0.000 1.404 157 I HN 0.550 nan 8.210 nan 0.000 0.522 158 N N 5.018 123.571 118.700 -0.245 0.000 2.502 158 N HA 0.305 5.044 4.740 -0.002 0.000 0.280 158 N C -0.502 174.906 175.510 -0.170 0.000 1.223 158 N CA -0.597 52.321 53.050 -0.219 0.000 0.966 158 N CB 0.788 39.169 38.487 -0.177 0.000 1.203 158 N HN 0.370 nan 8.380 nan 0.000 0.565 159 K N -0.585 119.706 120.400 -0.181 0.000 3.148 159 K HA -0.123 4.196 4.320 -0.002 0.000 0.267 159 K C 0.257 176.808 176.600 -0.081 0.000 0.996 159 K CA 0.210 56.417 56.287 -0.133 0.000 0.737 159 K CB -2.139 30.315 32.500 -0.076 0.000 1.308 159 K HN 0.229 nan 8.250 nan 0.000 0.470 160 V N 0.583 120.435 119.914 -0.103 0.000 3.305 160 V HA -0.195 3.923 4.120 -0.002 0.000 0.269 160 V C 2.297 178.430 176.094 0.066 0.000 1.157 160 V CA 1.992 64.340 62.300 0.080 0.000 1.157 160 V CB -0.387 31.558 31.823 0.202 0.000 0.772 160 V HN 0.533 nan 8.190 nan 0.000 0.498 161 D N 0.078 120.458 120.400 -0.034 0.000 2.194 161 D HA -0.152 4.486 4.640 -0.002 0.000 0.204 161 D C 2.093 178.393 176.300 -0.000 0.000 0.964 161 D CA 0.598 54.590 54.000 -0.012 0.000 0.846 161 D CB -0.259 40.356 40.800 -0.310 0.000 0.962 161 D HN 0.268 nan 8.370 nan 0.000 0.490 162 R N 0.961 121.456 120.500 -0.008 0.000 2.080 162 R HA -0.010 4.329 4.340 -0.002 0.000 0.236 162 R C 2.464 178.779 176.300 0.024 0.000 1.137 162 R CA 1.472 57.584 56.100 0.019 0.000 0.943 162 R CB -0.878 29.431 30.300 0.015 0.000 0.846 162 R HN 0.318 nan 8.270 nan 0.000 0.431 163 A N 1.303 124.136 122.820 0.021 0.000 1.972 163 A HA -0.103 4.216 4.320 -0.002 0.000 0.219 163 A C 2.334 179.913 177.584 -0.008 0.000 1.169 163 A CA 1.118 53.167 52.037 0.020 0.000 0.635 163 A CB -0.469 18.551 19.000 0.035 0.000 0.810 163 A HN 0.177 nan 8.150 nan 0.000 0.446 164 L N -1.069 120.106 121.223 -0.079 0.000 2.109 164 L HA -0.095 4.243 4.340 -0.002 0.000 0.207 164 L C 2.167 179.007 176.870 -0.050 0.000 1.086 164 L CA 0.502 55.214 54.840 -0.212 0.000 0.760 164 L CB -0.494 41.171 42.059 -0.656 0.000 0.910 164 L HN 0.295 nan 8.230 nan 0.000 0.437 165 L N -0.374 120.875 121.223 0.044 0.000 2.255 165 L HA 0.023 4.362 4.340 -0.002 0.000 0.196 165 L C 2.381 179.301 176.870 0.083 0.000 1.202 165 L CA 1.213 56.118 54.840 0.108 0.000 0.819 165 L CB -1.502 40.653 42.059 0.160 0.000 1.006 165 L HN 0.103 nan 8.230 nan 0.000 0.480 166 E N 0.182 120.427 120.200 0.075 0.000 2.086 166 E HA -0.275 4.074 4.350 -0.002 0.000 0.205 166 E C 2.080 178.712 176.600 0.053 0.000 1.027 166 E CA 1.578 58.015 56.400 0.062 0.000 0.830 166 E CB -0.255 29.478 29.700 0.054 0.000 0.751 166 E HN 0.178 nan 8.360 nan 0.000 0.456 167 L N 0.088 121.339 121.223 0.047 0.000 2.341 167 L HA -0.053 4.286 4.340 -0.002 0.000 0.214 167 L C 0.791 177.692 176.870 0.052 0.000 1.115 167 L CA 0.818 55.684 54.840 0.044 0.000 0.820 167 L CB 0.047 42.128 42.059 0.037 0.000 0.944 167 L HN 0.059 nan 8.230 nan 0.000 0.452 168 Q N -1.438 118.399 119.800 0.061 0.000 2.406 168 Q HA -0.187 4.152 4.340 -0.002 0.000 0.236 168 Q C 0.371 176.429 176.000 0.097 0.000 0.799 168 Q CA 0.647 56.498 55.803 0.080 0.000 1.286 168 Q CB -2.660 26.121 28.738 0.072 0.000 1.615 168 Q HN 0.284 nan 8.270 nan 0.000 0.621 169 V N 1.477 121.444 119.914 0.088 0.000 3.212 169 V HA -0.139 3.979 4.120 -0.002 0.000 0.280 169 V C 1.830 178.000 176.094 0.127 0.000 1.369 169 V CA 1.262 63.615 62.300 0.090 0.000 1.428 169 V CB 0.464 32.333 31.823 0.078 0.000 0.980 169 V HN 0.647 nan 8.190 nan 0.000 0.527 170 S N 3.514 119.237 115.700 0.039 0.000 2.229 170 S HA 0.206 4.674 4.470 -0.002 0.000 0.221 170 S C 0.832 175.327 174.600 -0.176 0.000 1.316 170 S CA 0.555 58.713 58.200 -0.071 0.000 1.002 170 S CB 0.354 63.504 63.200 -0.084 0.000 0.854 170 S HN 0.686 nan 8.310 nan 0.000 0.451 171 K N -0.548 119.680 120.400 -0.287 0.000 2.424 171 K HA 0.232 4.551 4.320 -0.002 0.000 0.200 171 K C 2.055 178.618 176.600 -0.061 0.000 1.279 171 K CA 0.427 56.524 56.287 -0.317 0.000 0.918 171 K CB -0.157 32.017 32.500 -0.544 0.000 1.287 171 K HN 0.518 nan 8.250 nan 0.000 0.502 172 E N 1.853 122.006 120.200 -0.079 0.000 2.285 172 E HA -0.128 4.221 4.350 -0.002 0.000 0.194 172 E C 1.023 177.642 176.600 0.031 0.000 0.997 172 E CA 1.319 57.705 56.400 -0.023 0.000 0.845 172 E CB 0.047 29.706 29.700 -0.068 0.000 0.782 172 E HN 0.118 nan 8.360 nan 0.000 0.491 173 D N -0.142 120.257 120.400 -0.002 0.000 2.077 173 D HA -0.139 4.499 4.640 -0.002 0.000 0.196 173 D C 1.879 178.167 176.300 -0.020 0.000 0.986 173 D CA 0.943 54.944 54.000 0.002 0.000 0.829 173 D CB -0.426 40.372 40.800 -0.003 0.000 0.983 173 D HN 0.216 nan 8.370 nan 0.000 0.453 174 L N 0.350 121.543 121.223 -0.050 0.000 1.971 174 L HA -0.233 4.105 4.340 -0.002 0.000 0.215 174 L C 2.359 178.974 176.870 -0.424 0.000 1.072 174 L CA 1.716 56.413 54.840 -0.238 0.000 0.758 174 L CB -1.137 40.827 42.059 -0.159 0.000 0.889 174 L HN 0.136 nan 8.230 nan 0.000 0.433 175 Y N -0.137 120.002 120.300 -0.268 0.000 2.030 175 Y HA -0.401 4.147 4.550 -0.002 0.000 0.272 175 Y C 2.622 178.459 175.900 -0.106 0.000 1.185 175 Y CA 2.422 60.436 58.100 -0.144 0.000 1.120 175 Y CB -0.455 37.978 38.460 -0.046 0.000 0.955 175 Y HN 0.325 nan 8.280 nan 0.000 0.495 176 Q N 0.029 119.931 119.800 0.169 0.000 2.197 176 Q HA -0.182 4.157 4.340 -0.002 0.000 0.207 176 Q C 2.159 178.142 176.000 -0.029 0.000 0.984 176 Q CA 2.135 57.992 55.803 0.090 0.000 0.869 176 Q CB -0.795 28.015 28.738 0.119 0.000 0.906 176 Q HN 0.619 nan 8.270 nan 0.000 0.426 177 T N 0.936 115.452 114.554 -0.064 0.000 2.588 177 T HA -0.114 4.235 4.350 -0.002 0.000 0.261 177 T C 1.577 176.348 174.700 0.118 0.000 1.069 177 T CA 1.238 63.337 62.100 -0.001 0.000 1.172 177 T CB -0.444 68.404 68.868 -0.034 0.000 0.863 177 T HN 0.122 nan 8.240 nan 0.000 0.408 178 F N 2.206 122.175 119.950 0.031 0.000 2.063 178 F HA -0.202 4.324 4.527 -0.002 0.000 0.297 178 F C 2.826 178.649 175.800 0.039 0.000 1.099 178 F CA 0.599 58.648 58.000 0.082 0.000 1.220 178 F CB -1.789 37.346 39.000 0.225 0.000 0.972 178 F HN 0.194 nan 8.300 nan 0.000 0.487 179 A N 0.096 122.979 122.820 0.105 0.000 1.884 179 A HA -0.274 4.045 4.320 -0.002 0.000 0.219 179 A C 2.431 180.067 177.584 0.087 0.000 1.197 179 A CA 2.304 54.361 52.037 0.034 0.000 0.637 179 A CB -0.798 18.064 19.000 -0.231 0.000 0.827 179 A HN 0.377 nan 8.150 nan 0.000 0.450 180 R N -1.481 119.053 120.500 0.058 0.000 2.070 180 R HA -0.077 4.262 4.340 -0.002 0.000 0.227 180 R C 2.353 178.678 176.300 0.041 0.000 1.147 180 R CA 1.757 57.886 56.100 0.047 0.000 0.924 180 R CB -1.242 29.082 30.300 0.039 0.000 0.827 180 R HN 0.512 nan 8.270 nan 0.000 0.431 181 T N 1.253 115.835 114.554 0.046 0.000 2.701 181 T HA -0.199 4.150 4.350 -0.002 0.000 0.265 181 T C 1.957 176.641 174.700 -0.026 0.000 1.032 181 T CA 1.833 63.941 62.100 0.013 0.000 1.158 181 T CB -0.374 68.507 68.868 0.021 0.000 0.854 181 T HN 0.029 nan 8.240 nan 0.000 0.463 182 V N 1.028 120.932 119.914 -0.017 0.000 2.358 182 V HA -0.112 4.007 4.120 -0.002 0.000 0.246 182 V C 2.682 178.742 176.094 -0.057 0.000 1.047 182 V CA 1.544 63.801 62.300 -0.071 0.000 1.035 182 V CB -0.446 31.352 31.823 -0.041 0.000 0.658 182 V HN 0.394 nan 8.190 nan 0.000 0.452 183 E N 0.720 120.916 120.200 -0.006 0.000 2.077 183 E HA -0.146 4.202 4.350 -0.002 0.000 0.193 183 E C 2.491 179.078 176.600 -0.023 0.000 0.989 183 E CA 1.701 58.096 56.400 -0.009 0.000 0.800 183 E CB -0.358 29.355 29.700 0.020 0.000 0.746 183 E HN 0.741 nan 8.360 nan 0.000 0.452 184 S N 0.726 116.418 115.700 -0.014 0.000 2.348 184 S HA -0.123 4.346 4.470 -0.002 0.000 0.221 184 S C 2.357 176.943 174.600 -0.023 0.000 1.033 184 S CA 1.334 59.528 58.200 -0.011 0.000 1.010 184 S CB -0.803 62.399 63.200 0.003 0.000 0.891 184 S HN 0.045 nan 8.310 nan 0.000 0.442 185 V N 3.496 123.387 119.914 -0.038 0.000 2.380 185 V HA -0.202 3.916 4.120 -0.002 0.000 0.251 185 V C 2.179 178.236 176.094 -0.062 0.000 1.063 185 V CA 1.811 64.082 62.300 -0.048 0.000 1.055 185 V CB -0.906 30.867 31.823 -0.084 0.000 0.657 185 V HN 0.522 nan 8.190 nan 0.000 0.455 186 N N -0.303 118.346 118.700 -0.086 0.000 2.550 186 N HA -0.036 4.702 4.740 -0.002 0.000 0.186 186 N C 1.544 177.009 175.510 -0.075 0.000 1.110 186 N CA 0.731 53.718 53.050 -0.105 0.000 0.912 186 N CB 0.472 38.872 38.487 -0.145 0.000 0.968 186 N HN 0.390 nan 8.380 nan 0.000 0.448 187 V N 1.380 121.260 119.914 -0.058 0.000 2.300 187 V HA -0.120 3.999 4.120 -0.002 0.000 0.241 187 V C 2.295 178.334 176.094 -0.092 0.000 1.034 187 V CA 0.832 63.093 62.300 -0.066 0.000 1.021 187 V CB -0.185 31.609 31.823 -0.048 0.000 0.662 187 V HN 0.135 nan 8.190 nan 0.000 0.458 188 I N 0.418 120.961 120.570 -0.046 0.000 2.194 188 I HA -0.204 3.964 4.170 -0.002 0.000 0.246 188 I C 2.458 178.587 176.117 0.021 0.000 1.093 188 I CA 1.470 62.775 61.300 0.007 0.000 1.355 188 I CB -1.611 36.463 38.000 0.123 0.000 1.046 188 I HN 0.152 nan 8.210 nan 0.000 0.413 189 V N 1.897 121.811 119.914 0.000 0.000 2.215 189 V HA -0.318 3.800 4.120 -0.002 0.000 0.246 189 V C 2.768 178.851 176.094 -0.018 0.000 1.047 189 V CA 2.700 65.001 62.300 0.002 0.000 0.999 189 V CB -1.431 30.366 31.823 -0.043 0.000 0.635 189 V HN 0.566 nan 8.190 nan 0.000 0.450 190 S N -0.210 115.459 115.700 -0.053 0.000 2.392 190 S HA -0.302 4.167 4.470 -0.002 0.000 0.232 190 S C 1.869 176.412 174.600 -0.095 0.000 1.041 190 S CA 2.221 60.387 58.200 -0.057 0.000 1.026 190 S CB -1.196 61.971 63.200 -0.056 0.000 0.845 190 S HN 0.620 nan 8.310 nan 0.000 0.465 191 T N 0.653 115.089 114.554 -0.196 0.000 2.788 191 T HA -0.023 4.325 4.350 -0.002 0.000 0.268 191 T C 0.638 175.116 174.700 -0.369 0.000 1.044 191 T CA 1.429 63.301 62.100 -0.379 0.000 1.139 191 T CB -0.363 68.087 68.868 -0.696 0.000 0.867 191 T HN 0.669 nan 8.240 nan 0.000 0.454 192 Y N 0.192 120.491 120.300 -0.002 0.000 2.612 192 Y HA 0.649 5.197 4.550 -0.002 0.000 0.250 192 Y C 0.703 176.603 175.900 -0.000 0.000 1.175 192 Y CA -1.443 56.657 58.100 0.001 0.000 1.205 192 Y CB -0.110 38.352 38.460 0.004 0.000 1.201 192 Y HN 0.069 nan 8.280 nan 0.000 0.532 193 A N 0.048 122.931 122.820 0.105 0.000 2.331 193 A HA 0.374 4.693 4.320 -0.002 0.000 0.283 193 A C -0.539 177.070 177.584 0.041 0.000 1.142 193 A CA -0.610 51.464 52.037 0.063 0.000 0.812 193 A CB 0.018 19.034 19.000 0.027 0.000 1.074 193 A HN 0.237 nan 8.150 nan 0.000 0.497 194 D N 2.358 122.779 120.400 0.036 0.000 2.412 194 D HA 0.231 4.869 4.640 -0.002 0.000 0.257 194 D C 0.919 177.222 176.300 0.006 0.000 1.217 194 D CA 0.523 54.539 54.000 0.025 0.000 0.897 194 D CB 0.755 41.572 40.800 0.030 0.000 1.132 194 D HN 0.601 nan 8.370 nan 0.000 0.493 195 E N 1.084 121.289 120.200 0.008 0.000 2.136 195 E HA -0.201 4.147 4.350 -0.002 0.000 0.202 195 E C 1.845 178.441 176.600 -0.007 0.000 1.019 195 E CA 0.875 57.276 56.400 0.001 0.000 0.819 195 E CB -0.131 29.571 29.700 0.004 0.000 0.739 195 E HN 0.339 nan 8.360 nan 0.000 0.458 196 V N 0.738 120.650 119.914 -0.004 0.000 3.026 196 V HA -0.167 3.951 4.120 -0.002 0.000 0.265 196 V C 1.857 177.929 176.094 -0.036 0.000 1.121 196 V CA 1.160 63.455 62.300 -0.008 0.000 1.142 196 V CB -0.484 31.344 31.823 0.009 0.000 0.730 196 V HN 0.272 nan 8.190 nan 0.000 0.503 197 L N -0.299 120.889 121.223 -0.060 0.000 2.446 197 L HA 0.399 4.738 4.340 -0.002 0.000 0.219 197 L C 1.292 178.090 176.870 -0.118 0.000 1.116 197 L CA 0.747 55.502 54.840 -0.141 0.000 0.844 197 L CB -0.517 41.439 42.059 -0.172 0.000 0.970 197 L HN 0.545 nan 8.230 nan 0.000 0.457 198 G N 0.584 109.348 108.800 -0.061 0.000 2.685 198 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.387 198 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.387 198 G C -0.836 174.051 174.900 -0.021 0.000 1.324 198 G CA -0.456 44.621 45.100 -0.038 0.000 0.878 198 G HN 0.183 nan 8.290 nan 0.000 0.527 199 D N -0.637 119.766 120.400 0.006 0.000 2.342 199 D HA 0.336 4.974 4.640 -0.002 0.000 0.260 199 D C 1.086 177.414 176.300 0.047 0.000 1.278 199 D CA 0.703 54.729 54.000 0.042 0.000 0.910 199 D CB 1.224 42.076 40.800 0.087 0.000 1.079 199 D HN 0.832 nan 8.370 nan 0.000 0.496 200 V N 4.274 124.199 119.914 0.018 0.000 3.596 200 V HA 0.080 4.199 4.120 -0.002 0.000 0.289 200 V C 0.693 176.780 176.094 -0.012 0.000 1.336 200 V CA 0.066 62.367 62.300 0.002 0.000 1.137 200 V CB -0.520 31.289 31.823 -0.022 0.000 0.966 200 V HN 0.569 nan 8.190 nan 0.000 0.428 201 Q N 0.780 120.575 119.800 -0.009 0.000 2.304 201 Q HA 0.092 4.431 4.340 -0.002 0.000 0.301 201 Q C -0.271 175.557 176.000 -0.286 0.000 1.063 201 Q CA 0.197 55.900 55.803 -0.167 0.000 0.947 201 Q CB 1.279 29.875 28.738 -0.237 0.000 1.201 201 Q HN 0.385 nan 8.270 nan 0.000 0.389 202 V N 3.593 123.280 119.914 -0.379 0.000 2.583 202 V HA 0.098 4.217 4.120 -0.002 0.000 0.287 202 V C -0.676 175.070 176.094 -0.579 0.000 1.051 202 V CA -0.126 61.962 62.300 -0.353 0.000 1.010 202 V CB -0.044 31.602 31.823 -0.295 0.000 0.988 202 V HN 0.555 nan 8.190 nan 0.000 0.478 203 Y N 4.730 124.919 120.300 -0.186 0.000 2.363 203 Y HA 0.356 4.904 4.550 -0.002 0.000 0.325 203 Y C -1.835 173.905 175.900 -0.266 0.000 0.984 203 Y CA -2.054 55.946 58.100 -0.167 0.000 1.248 203 Y CB 1.926 40.336 38.460 -0.082 0.000 1.116 203 Y HN 0.448 nan 8.280 nan 0.000 0.470 204 P HA -0.269 nan 4.420 nan 0.000 0.217 204 P C 1.257 178.429 177.300 -0.213 0.000 1.151 204 P CA 2.338 65.135 63.100 -0.505 0.000 0.849 204 P CB 0.377 31.251 31.700 -1.376 0.000 0.787 205 A N -0.600 122.161 122.820 -0.098 0.000 2.119 205 A HA -0.110 4.208 4.320 -0.002 0.000 0.217 205 A C 1.935 179.577 177.584 0.097 0.000 1.153 205 A CA 1.025 53.140 52.037 0.130 0.000 0.692 205 A CB -0.742 18.424 19.000 0.277 0.000 0.799 205 A HN 0.153 nan 8.150 nan 0.000 0.458 206 R N -1.217 119.319 120.500 0.060 0.000 2.359 206 R HA 0.249 4.588 4.340 -0.002 0.000 0.231 206 R C 1.027 177.341 176.300 0.024 0.000 0.913 206 R CA 0.436 56.560 56.100 0.040 0.000 1.075 206 R CB 0.054 30.362 30.300 0.014 0.000 1.087 206 R HN 0.570 nan 8.270 nan 0.000 0.515 207 G N 1.536 110.347 108.800 0.017 0.000 2.176 207 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.252 207 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.252 207 G C 0.657 175.493 174.900 -0.107 0.000 1.024 207 G CA 0.817 45.951 45.100 0.057 0.000 0.755 207 G HN 0.447 nan 8.290 nan 0.000 0.507 208 T N -3.345 111.017 114.554 -0.320 0.000 3.054 208 T HA 0.548 4.897 4.350 -0.002 0.000 0.255 208 T C 0.439 174.957 174.700 -0.302 0.000 1.035 208 T CA 0.409 62.249 62.100 -0.433 0.000 0.941 208 T CB 1.212 69.773 68.868 -0.512 0.000 1.026 208 T HN 0.680 nan 8.240 nan 0.000 0.533 209 V N 1.737 121.461 119.914 -0.318 0.000 2.444 209 V HA 0.805 4.924 4.120 -0.002 0.000 0.294 209 V C -0.102 175.645 176.094 -0.578 0.000 1.022 209 V CA -1.169 60.836 62.300 -0.493 0.000 0.850 209 V CB 1.182 32.614 31.823 -0.653 0.000 0.992 209 V HN 0.605 nan 8.190 nan 0.000 0.426 210 A N 5.037 127.486 122.820 -0.620 0.000 2.340 210 A HA 0.975 5.294 4.320 -0.002 0.000 0.331 210 A C -1.087 175.961 177.584 -0.894 0.000 1.140 210 A CA -0.416 51.293 52.037 -0.547 0.000 0.801 210 A CB 0.930 19.756 19.000 -0.291 0.000 1.234 210 A HN 0.648 nan 8.150 nan 0.000 0.469 211 F N 0.445 119.973 119.950 -0.704 0.000 2.546 211 F HA 0.790 5.316 4.527 -0.003 0.000 0.320 211 F C 0.830 176.213 175.800 -0.695 0.000 1.076 211 F CA 0.174 57.694 58.000 -0.801 0.000 0.928 211 F CB 2.730 41.123 39.000 -1.013 0.000 1.189 211 F HN 1.010 nan 8.300 nan 0.000 0.465 212 G N 0.311 108.884 108.800 -0.379 0.000 2.324 212 G HA2 0.373 4.332 3.960 -0.002 0.000 0.293 212 G HA3 0.373 4.332 3.960 -0.002 0.000 0.293 212 G C -2.001 172.412 174.900 -0.811 0.000 1.297 212 G CA -0.834 43.867 45.100 -0.666 0.000 0.853 212 G HN 0.714 nan 8.290 nan 0.000 0.535 213 S N -0.648 114.340 115.700 -1.188 0.000 2.640 213 S HA 0.577 5.045 4.470 -0.002 0.000 0.320 213 S C 1.396 175.742 174.600 -0.424 0.000 1.097 213 S CA 0.722 58.470 58.200 -0.753 0.000 1.092 213 S CB 0.995 63.688 63.200 -0.846 0.000 0.988 213 S HN 1.884 nan 8.310 nan 0.000 0.470 214 G N 3.732 112.389 108.800 -0.238 0.000 2.422 214 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.218 214 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.218 214 G C 1.131 176.006 174.900 -0.042 0.000 1.140 214 G CA 0.802 45.830 45.100 -0.120 0.000 0.775 214 G HN 0.661 nan 8.290 nan 0.000 0.545 215 L N -0.198 121.023 121.223 -0.004 0.000 2.072 215 L HA 0.139 4.477 4.340 -0.002 0.000 0.205 215 L C 2.461 179.429 176.870 0.164 0.000 1.079 215 L CA 1.675 56.568 54.840 0.088 0.000 0.752 215 L CB -0.490 41.653 42.059 0.140 0.000 0.906 215 L HN 0.217 nan 8.230 nan 0.000 0.436 216 H N -0.195 118.861 119.070 -0.024 0.000 2.502 216 H HA 0.258 4.813 4.556 -0.002 0.000 0.283 216 H C 1.640 177.042 175.328 0.123 0.000 1.015 216 H CA 0.520 56.620 56.048 0.086 0.000 1.298 216 H CB -0.111 29.777 29.762 0.209 0.000 1.411 216 H HN 0.452 nan 8.280 nan 0.000 0.556 217 G N -1.135 107.741 108.800 0.127 0.000 2.157 217 G HA2 -0.189 3.769 3.960 -0.002 0.000 0.239 217 G HA3 -0.189 3.769 3.960 -0.002 0.000 0.239 217 G C 0.084 175.114 174.900 0.217 0.000 0.982 217 G CA 0.216 45.394 45.100 0.129 0.000 0.650 217 G HN 0.456 nan 8.290 nan 0.000 0.527 218 W N -0.367 121.022 121.300 0.148 0.000 2.781 218 W HA 0.862 5.520 4.660 -0.003 0.000 0.345 218 W C -0.172 176.432 176.519 0.140 0.000 1.085 218 W CA -1.173 56.264 57.345 0.153 0.000 1.198 218 W CB 1.546 31.136 29.460 0.216 0.000 1.423 218 W HN 0.994 nan 8.180 nan 0.000 0.532 219 A N 2.618 125.724 122.820 0.477 0.000 2.564 219 A HA 0.928 5.247 4.320 -0.002 0.000 0.291 219 A C -2.024 175.809 177.584 0.414 0.000 1.102 219 A CA -0.800 51.394 52.037 0.262 0.000 0.660 219 A CB 1.637 20.624 19.000 -0.021 0.000 1.283 219 A HN 1.205 nan 8.150 nan 0.000 0.430 220 F N -1.673 118.438 119.950 0.268 0.000 2.708 220 F HA 0.717 5.243 4.527 -0.003 0.000 0.309 220 F C -0.403 175.563 175.800 0.276 0.000 1.120 220 F CA -0.096 58.038 58.000 0.223 0.000 0.978 220 F CB 0.865 40.028 39.000 0.272 0.000 1.283 220 F HN 0.956 nan 8.300 nan 0.000 0.439 221 T N 0.374 115.169 114.554 0.402 0.000 2.945 221 T HA 0.497 4.845 4.350 -0.002 0.000 0.286 221 T C 0.910 175.904 174.700 0.490 0.000 1.025 221 T CA -0.854 61.448 62.100 0.337 0.000 1.039 221 T CB 1.470 70.437 68.868 0.165 0.000 1.068 221 T HN 0.666 nan 8.240 nan 0.000 0.497 222 I N 0.665 121.497 120.570 0.437 0.000 2.208 222 I HA -0.125 4.044 4.170 -0.002 0.000 0.245 222 I C 2.768 179.056 176.117 0.285 0.000 1.097 222 I CA 1.505 63.049 61.300 0.406 0.000 1.363 222 I CB -1.034 37.172 38.000 0.344 0.000 1.051 222 I HN 0.852 nan 8.210 nan 0.000 0.413 223 R N 1.007 121.630 120.500 0.205 0.000 2.117 223 R HA -0.231 4.107 4.340 -0.002 0.000 0.243 223 R C 2.234 178.583 176.300 0.082 0.000 1.143 223 R CA 1.638 57.816 56.100 0.130 0.000 0.968 223 R CB -0.090 30.276 30.300 0.109 0.000 0.863 223 R HN 0.491 nan 8.270 nan 0.000 0.444 224 Q N -1.080 118.769 119.800 0.082 0.000 2.124 224 Q HA -0.171 4.168 4.340 -0.002 0.000 0.202 224 Q C 1.767 177.650 176.000 -0.195 0.000 0.977 224 Q CA 1.524 57.294 55.803 -0.055 0.000 0.850 224 Q CB -0.030 28.666 28.738 -0.070 0.000 0.901 224 Q HN 0.345 nan 8.270 nan 0.000 0.429 225 F N -0.082 119.789 119.950 -0.132 0.000 2.335 225 F HA 0.061 4.587 4.527 -0.002 0.000 0.296 225 F C 2.201 177.811 175.800 -0.317 0.000 1.091 225 F CA 0.741 58.536 58.000 -0.342 0.000 1.399 225 F CB -0.187 38.607 39.000 -0.343 0.000 1.067 225 F HN -0.008 nan 8.300 nan 0.000 0.520 226 A N -1.189 121.677 122.820 0.076 0.000 2.121 226 A HA -0.103 4.215 4.320 -0.002 0.000 0.218 226 A C 2.081 179.691 177.584 0.044 0.000 1.154 226 A CA 2.077 54.157 52.037 0.073 0.000 0.679 226 A CB -0.917 18.137 19.000 0.091 0.000 0.795 226 A HN 0.324 nan 8.150 nan 0.000 0.458 227 T N -1.680 112.872 114.554 -0.003 0.000 3.033 227 T HA 0.044 4.392 4.350 -0.002 0.000 0.248 227 T C 1.997 176.697 174.700 -0.001 0.000 1.040 227 T CA 0.615 62.716 62.100 0.002 0.000 1.133 227 T CB -0.058 68.799 68.868 -0.019 0.000 0.895 227 T HN 0.544 nan 8.240 nan 0.000 0.465 228 R N 0.312 120.754 120.500 -0.096 0.000 2.097 228 R HA -0.154 4.185 4.340 -0.002 0.000 0.236 228 R C 1.881 178.279 176.300 0.165 0.000 1.135 228 R CA 1.845 57.898 56.100 -0.078 0.000 0.934 228 R CB -0.368 29.739 30.300 -0.321 0.000 0.846 228 R HN 0.336 nan 8.270 nan 0.000 0.431 229 Y N 0.003 120.409 120.300 0.176 0.000 2.497 229 Y HA 0.036 4.585 4.550 -0.002 0.000 0.292 229 Y C 2.200 178.235 175.900 0.225 0.000 1.137 229 Y CA 0.270 58.529 58.100 0.264 0.000 1.285 229 Y CB -0.852 37.687 38.460 0.132 0.000 0.991 229 Y HN 0.261 nan 8.280 nan 0.000 0.556 230 A N -0.026 122.945 122.820 0.252 0.000 1.872 230 A HA -0.115 4.204 4.320 -0.002 0.000 0.214 230 A C 2.417 180.081 177.584 0.133 0.000 1.187 230 A CA 1.289 53.419 52.037 0.155 0.000 0.614 230 A CB -0.284 18.766 19.000 0.084 0.000 0.826 230 A HN 0.102 nan 8.150 nan 0.000 0.442 231 K N 0.030 120.492 120.400 0.103 0.000 2.007 231 K HA -0.100 4.219 4.320 -0.002 0.000 0.206 231 K C 2.080 178.696 176.600 0.026 0.000 1.047 231 K CA 1.556 57.876 56.287 0.054 0.000 0.937 231 K CB -0.397 32.120 32.500 0.029 0.000 0.718 231 K HN 0.497 nan 8.250 nan 0.000 0.438 232 K N -0.022 120.382 120.400 0.006 0.000 1.980 232 K HA -0.167 4.151 4.320 -0.002 0.000 0.223 232 K C 1.873 178.310 176.600 -0.273 0.000 1.052 232 K CA 2.163 58.324 56.287 -0.210 0.000 0.974 232 K CB -0.314 31.948 32.500 -0.397 0.000 0.734 232 K HN 0.006 nan 8.250 nan 0.000 0.447 233 F N 0.506 120.481 119.950 0.041 0.000 2.816 233 F HA 0.196 4.721 4.527 -0.002 0.000 0.302 233 F C 1.178 176.989 175.800 0.018 0.000 1.178 233 F CA 0.580 58.590 58.000 0.017 0.000 1.421 233 F CB -0.221 38.771 39.000 -0.013 0.000 1.114 233 F HN 0.411 nan 8.300 nan 0.000 0.573 234 G N 1.227 110.112 108.800 0.140 0.000 2.333 234 G HA2 -0.174 3.785 3.960 -0.002 0.000 0.296 234 G HA3 -0.174 3.785 3.960 -0.002 0.000 0.296 234 G C -0.357 174.594 174.900 0.085 0.000 1.059 234 G CA 0.146 45.301 45.100 0.092 0.000 1.050 234 G HN 0.250 nan 8.290 nan 0.000 0.508 235 V N -0.097 119.868 119.914 0.085 0.000 3.046 235 V HA 0.693 4.812 4.120 -0.002 0.000 0.316 235 V C 0.088 176.201 176.094 0.031 0.000 1.104 235 V CA -0.481 61.845 62.300 0.045 0.000 1.006 235 V CB 2.166 34.000 31.823 0.019 0.000 1.058 235 V HN 0.584 nan 8.190 nan 0.000 0.440 236 D N 0.779 121.184 120.400 0.009 0.000 2.255 236 D HA 0.205 4.844 4.640 -0.002 0.000 0.249 236 D C 0.782 177.081 176.300 -0.000 0.000 1.078 236 D CA -0.716 53.289 54.000 0.009 0.000 0.896 236 D CB 1.094 41.897 40.800 0.004 0.000 1.194 236 D HN 0.647 nan 8.370 nan 0.000 0.429 237 K N 1.696 122.103 120.400 0.012 0.000 2.211 237 K HA -0.087 4.231 4.320 -0.002 0.000 0.203 237 K C 1.831 178.433 176.600 0.004 0.000 1.050 237 K CA 0.727 57.023 56.287 0.014 0.000 0.945 237 K CB -0.401 32.116 32.500 0.029 0.000 0.732 237 K HN 0.359 nan 8.250 nan 0.000 0.451 238 A N 2.738 125.559 122.820 0.002 0.000 1.882 238 A HA -0.313 4.006 4.320 -0.002 0.000 0.220 238 A C 2.249 179.825 177.584 -0.014 0.000 1.253 238 A CA 2.471 54.508 52.037 -0.000 0.000 0.664 238 A CB -0.764 18.233 19.000 -0.005 0.000 0.838 238 A HN 0.442 nan 8.150 nan 0.000 0.460 239 K N -1.923 118.452 120.400 -0.042 0.000 2.097 239 K HA -0.033 4.286 4.320 -0.002 0.000 0.205 239 K C 2.115 178.637 176.600 -0.129 0.000 1.050 239 K CA 1.182 57.419 56.287 -0.083 0.000 0.938 239 K CB -0.165 32.270 32.500 -0.108 0.000 0.718 239 K HN 0.363 nan 8.250 nan 0.000 0.442 240 M N 0.527 120.056 119.600 -0.118 0.000 2.279 240 M HA -0.145 4.334 4.480 -0.002 0.000 0.264 240 M C 1.798 178.069 176.300 -0.047 0.000 1.062 240 M CA 1.536 56.751 55.300 -0.141 0.000 1.099 240 M CB -0.401 32.159 32.600 -0.066 0.000 1.394 240 M HN 0.289 nan 8.290 nan 0.000 0.426 241 M N -0.591 119.016 119.600 0.012 0.000 2.081 241 M HA -0.205 4.274 4.480 -0.002 0.000 0.261 241 M C 1.560 177.927 176.300 0.111 0.000 1.075 241 M CA 1.470 56.822 55.300 0.087 0.000 1.133 241 M CB -0.756 31.897 32.600 0.088 0.000 1.330 241 M HN 0.090 nan 8.290 nan 0.000 0.414 242 D N 0.359 120.798 120.400 0.065 0.000 2.191 242 D HA -0.180 4.458 4.640 -0.002 0.000 0.195 242 D C 2.034 178.391 176.300 0.094 0.000 1.003 242 D CA 1.390 55.441 54.000 0.086 0.000 0.867 242 D CB -0.309 40.507 40.800 0.028 0.000 0.926 242 D HN 0.371 nan 8.370 nan 0.000 0.450 243 R N -0.105 120.391 120.500 -0.006 0.000 2.075 243 R HA 0.096 4.434 4.340 -0.002 0.000 0.226 243 R C 2.094 178.483 176.300 0.148 0.000 1.114 243 R CA 0.282 56.361 56.100 -0.035 0.000 0.972 243 R CB -0.238 29.806 30.300 -0.427 0.000 0.869 243 R HN 0.196 nan 8.270 nan 0.000 0.437 244 L N 0.561 121.905 121.223 0.202 0.000 2.786 244 L HA -0.004 4.335 4.340 -0.002 0.000 0.250 244 L C 0.115 177.352 176.870 0.611 0.000 1.151 244 L CA 0.199 55.261 54.840 0.371 0.000 0.910 244 L CB -0.344 41.902 42.059 0.312 0.000 1.082 244 L HN 0.322 nan 8.230 nan 0.000 0.433 245 W N -0.364 121.102 121.300 0.277 0.000 3.707 245 W HA 0.412 5.071 4.660 -0.002 0.000 0.294 245 W C 0.064 176.683 176.519 0.166 0.000 1.248 245 W CA 0.158 57.661 57.345 0.263 0.000 1.217 245 W CB 1.091 30.694 29.460 0.238 0.000 1.306 245 W HN 0.050 nan 8.180 nan 0.000 0.532 246 G N 3.856 112.258 108.800 -0.664 0.000 2.545 246 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.216 246 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.216 246 G C -0.766 173.926 174.900 -0.347 0.000 1.314 246 G CA -0.167 44.630 45.100 -0.506 0.000 0.906 246 G HN 0.486 nan 8.290 nan 0.000 0.563 247 D N 1.840 122.146 120.400 -0.157 0.000 2.558 247 D HA 0.494 5.133 4.640 -0.002 0.000 0.221 247 D C -0.236 176.130 176.300 0.111 0.000 1.143 247 D CA 0.642 54.628 54.000 -0.024 0.000 1.010 247 D CB 0.361 41.282 40.800 0.201 0.000 1.068 247 D HN 0.424 nan 8.370 nan 0.000 0.511 248 S N 1.442 117.062 115.700 -0.133 0.000 2.736 248 S HA 0.419 4.888 4.470 -0.002 0.000 0.285 248 S C -0.610 174.062 174.600 0.121 0.000 1.163 248 S CA -0.644 57.687 58.200 0.219 0.000 1.025 248 S CB 0.859 64.191 63.200 0.219 0.000 1.030 248 S HN 0.151 nan 8.310 nan 0.000 0.486 249 F N 2.068 122.201 119.950 0.305 0.000 2.522 249 F HA 0.652 5.178 4.527 -0.002 0.000 0.324 249 F C -0.394 175.446 175.800 0.067 0.000 1.077 249 F CA -1.162 56.944 58.000 0.178 0.000 0.944 249 F CB 1.238 40.255 39.000 0.028 0.000 1.175 249 F HN 0.526 nan 8.300 nan 0.000 0.468 250 F N 3.287 123.094 119.950 -0.239 0.000 2.434 250 F HA 0.376 4.902 4.527 -0.002 0.000 0.355 250 F C -0.381 175.191 175.800 -0.380 0.000 1.115 250 F CA -0.801 56.729 58.000 -0.783 0.000 1.010 250 F CB 0.500 38.577 39.000 -1.539 0.000 1.234 250 F HN 0.376 nan 8.300 nan 0.000 0.439 251 N N 8.210 126.417 118.700 -0.822 0.000 2.420 251 N HA 0.184 4.922 4.740 -0.002 0.000 0.262 251 N C -1.953 173.052 175.510 -0.842 0.000 1.144 251 N CA -1.827 50.859 53.050 -0.606 0.000 0.952 251 N CB 1.609 39.855 38.487 -0.403 0.000 1.081 251 N HN 0.339 nan 8.380 nan 0.000 0.480 252 P HA -0.194 nan 4.420 nan 0.000 0.215 252 P C 0.886 178.028 177.300 -0.264 0.000 1.163 252 P CA 1.958 64.895 63.100 -0.271 0.000 0.894 252 P CB 0.355 31.995 31.700 -0.101 0.000 0.791 253 K N -0.806 119.460 120.400 -0.225 0.000 1.991 253 K HA -0.144 4.175 4.320 -0.002 0.000 0.212 253 K C 2.243 178.734 176.600 -0.182 0.000 1.049 253 K CA 2.275 58.465 56.287 -0.163 0.000 0.932 253 K CB -1.477 30.942 32.500 -0.136 0.000 0.717 253 K HN 0.290 nan 8.250 nan 0.000 0.441 254 T N -0.619 113.790 114.554 -0.242 0.000 3.007 254 T HA -0.071 4.277 4.350 -0.002 0.000 0.270 254 T C 0.626 175.179 174.700 -0.245 0.000 1.107 254 T CA 0.536 62.509 62.100 -0.212 0.000 1.118 254 T CB -0.170 68.570 68.868 -0.213 0.000 0.889 254 T HN 0.098 nan 8.240 nan 0.000 0.506 255 K N 0.892 121.039 120.400 -0.421 0.000 3.035 255 K HA -0.139 4.179 4.320 -0.002 0.000 0.262 255 K C -0.526 175.934 176.600 -0.233 0.000 1.024 255 K CA 0.975 57.045 56.287 -0.361 0.000 0.748 255 K CB -1.607 30.877 32.500 -0.026 0.000 1.247 255 K HN 0.663 nan 8.250 nan 0.000 0.482 256 K N -1.117 118.991 120.400 -0.487 0.000 2.533 256 K HA 0.487 4.805 4.320 -0.002 0.000 0.272 256 K C -0.691 175.794 176.600 -0.192 0.000 0.985 256 K CA -0.913 55.321 56.287 -0.087 0.000 0.876 256 K CB 0.979 33.487 32.500 0.013 0.000 1.452 256 K HN -0.047 nan 8.250 nan 0.000 0.439 257 W N 0.355 121.737 121.300 0.136 0.000 2.436 257 W HA 0.581 5.240 4.660 -0.001 0.000 0.347 257 W C 0.424 177.006 176.519 0.105 0.000 1.136 257 W CA -0.265 57.185 57.345 0.175 0.000 1.286 257 W CB 1.530 31.124 29.460 0.223 0.000 1.253 257 W HN 0.372 nan 8.180 nan 0.000 0.617 258 T N 0.583 115.353 114.554 0.360 0.000 2.896 258 T HA 0.275 4.624 4.350 -0.002 0.000 0.297 258 T C -0.562 174.299 174.700 0.267 0.000 1.108 258 T CA -0.654 61.576 62.100 0.217 0.000 1.004 258 T CB 0.974 69.883 68.868 0.069 0.000 1.159 258 T HN 0.341 nan 8.240 nan 0.000 0.499 259 N N 1.656 120.455 118.700 0.164 0.000 2.380 259 N HA 0.322 5.061 4.740 -0.002 0.000 0.255 259 N C -1.305 174.258 175.510 0.088 0.000 1.158 259 N CA -0.262 52.886 53.050 0.163 0.000 0.878 259 N CB 0.024 38.580 38.487 0.116 0.000 1.138 259 N HN 0.593 nan 8.380 nan 0.000 0.509 260 K N -1.115 119.279 120.400 -0.011 0.000 2.561 260 K HA 0.241 4.559 4.320 -0.002 0.000 0.254 260 K C -1.527 174.772 176.600 -0.503 0.000 0.942 260 K CA -0.930 55.262 56.287 -0.158 0.000 0.818 260 K CB 0.905 33.339 32.500 -0.110 0.000 1.306 260 K HN -0.136 nan 8.250 nan 0.000 0.435 261 D N 1.352 121.355 120.400 -0.662 0.000 2.982 261 D HA 0.028 4.667 4.640 -0.002 0.000 0.238 261 D C -0.817 175.158 176.300 -0.542 0.000 1.168 261 D CA -0.177 53.196 54.000 -1.046 0.000 0.947 261 D CB -0.282 40.125 40.800 -0.655 0.000 1.147 261 D HN 0.594 nan 8.370 nan 0.000 0.450 262 T N -1.824 112.476 114.554 -0.423 0.000 3.767 262 T HA 0.189 4.538 4.350 -0.002 0.000 0.360 262 T C -1.075 173.507 174.700 -0.197 0.000 1.181 262 T CA -1.266 60.684 62.100 -0.250 0.000 1.110 262 T CB 1.230 69.994 68.868 -0.174 0.000 1.201 262 T HN 0.202 nan 8.240 nan 0.000 0.474 263 D N 2.542 122.842 120.400 -0.166 0.000 2.389 263 D HA 0.341 4.980 4.640 -0.002 0.000 0.247 263 D C 1.637 177.874 176.300 -0.105 0.000 1.128 263 D CA -0.016 53.904 54.000 -0.134 0.000 0.884 263 D CB 1.376 42.100 40.800 -0.126 0.000 1.194 263 D HN 0.744 nan 8.370 nan 0.000 0.441 264 A N 3.914 126.681 122.820 -0.089 0.000 1.971 264 A HA -0.389 3.930 4.320 -0.002 0.000 0.231 264 A C 1.770 179.315 177.584 -0.065 0.000 1.546 264 A CA 2.440 54.435 52.037 -0.070 0.000 0.716 264 A CB -1.113 17.851 19.000 -0.059 0.000 0.839 264 A HN 0.823 nan 8.150 nan 0.000 0.513 265 E N -1.646 118.514 120.200 -0.066 0.000 2.510 265 E HA 0.176 4.525 4.350 -0.002 0.000 0.202 265 E C 1.287 177.850 176.600 -0.061 0.000 1.072 265 E CA 0.393 56.757 56.400 -0.059 0.000 0.883 265 E CB -0.417 29.247 29.700 -0.059 0.000 0.818 265 E HN 1.106 nan 8.360 nan 0.000 0.548 266 G N 1.853 110.610 108.800 -0.071 0.000 2.157 266 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.239 266 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.239 266 G C 0.211 175.063 174.900 -0.079 0.000 0.982 266 G CA 0.225 45.282 45.100 -0.072 0.000 0.650 266 G HN 0.234 nan 8.290 nan 0.000 0.527 267 K N 1.006 121.354 120.400 -0.086 0.000 2.144 267 K HA 0.532 4.850 4.320 -0.002 0.000 0.270 267 K C -2.567 173.966 176.600 -0.112 0.000 1.005 267 K CA -2.079 54.155 56.287 -0.088 0.000 0.932 267 K CB 1.290 33.742 32.500 -0.080 0.000 1.021 267 K HN -0.008 nan 8.250 nan 0.000 0.462 268 P HA 0.141 nan 4.420 nan 0.000 0.281 268 P C -0.987 176.253 177.300 -0.099 0.000 1.252 268 P CA -0.113 62.917 63.100 -0.116 0.000 0.778 268 P CB 0.661 32.313 31.700 -0.080 0.000 0.895 269 L N 1.322 122.476 121.223 -0.115 0.000 2.416 269 L HA 0.527 4.866 4.340 -0.002 0.000 0.263 269 L C 0.809 177.759 176.870 0.134 0.000 1.065 269 L CA -0.880 53.948 54.840 -0.020 0.000 0.798 269 L CB 0.598 42.636 42.059 -0.036 0.000 1.267 269 L HN 0.297 nan 8.230 nan 0.000 0.467 270 E N 1.189 121.454 120.200 0.109 0.000 2.156 270 E HA 0.213 4.562 4.350 -0.002 0.000 0.279 270 E C -0.467 176.149 176.600 0.027 0.000 0.965 270 E CA -0.757 55.669 56.400 0.043 0.000 0.789 270 E CB 1.192 30.840 29.700 -0.086 0.000 1.098 270 E HN 0.375 nan 8.360 nan 0.000 0.397 271 R N 2.746 123.156 120.500 -0.150 0.000 2.817 271 R HA -0.021 4.317 4.340 -0.002 0.000 0.264 271 R C 0.796 176.990 176.300 -0.176 0.000 1.009 271 R CA 0.841 56.643 56.100 -0.497 0.000 1.133 271 R CB 0.577 30.511 30.300 -0.611 0.000 1.013 271 R HN 0.761 nan 8.270 nan 0.000 0.453 272 A N 4.173 126.994 122.820 0.001 0.000 1.855 272 A HA -0.192 4.126 4.320 -0.002 0.000 0.215 272 A C 1.920 179.716 177.584 0.353 0.000 1.191 272 A CA 1.318 53.605 52.037 0.418 0.000 0.613 272 A CB -0.692 18.732 19.000 0.706 0.000 0.829 272 A HN 0.873 nan 8.150 nan 0.000 0.442 273 F N 1.732 121.761 119.950 0.132 0.000 2.147 273 F HA -0.307 4.219 4.527 -0.003 0.000 0.301 273 F C 1.790 177.624 175.800 0.057 0.000 1.084 273 F CA 2.425 60.522 58.000 0.162 0.000 1.268 273 F CB -0.315 38.849 39.000 0.273 0.000 1.009 273 F HN 0.316 nan 8.300 nan 0.000 0.486 274 N N -0.485 118.273 118.700 0.098 0.000 2.250 274 N HA -0.084 4.654 4.740 -0.002 0.000 0.181 274 N C 1.864 177.245 175.510 -0.215 0.000 1.017 274 N CA 1.309 54.323 53.050 -0.059 0.000 0.866 274 N CB -0.347 38.089 38.487 -0.085 0.000 0.985 274 N HN 0.367 nan 8.380 nan 0.000 0.429 275 M N -0.879 118.533 119.600 -0.313 0.000 2.288 275 M HA 0.059 4.537 4.480 -0.002 0.000 0.266 275 M C 0.330 176.160 176.300 -0.784 0.000 1.072 275 M CA 1.507 56.429 55.300 -0.630 0.000 1.132 275 M CB 0.166 32.203 32.600 -0.939 0.000 1.386 275 M HN 0.063 nan 8.290 nan 0.000 0.432 276 F N -1.581 118.321 119.950 -0.080 0.000 2.717 276 F HA 0.191 4.717 4.527 -0.002 0.000 0.297 276 F C 1.417 177.100 175.800 -0.195 0.000 1.113 276 F CA -0.132 57.856 58.000 -0.019 0.000 1.319 276 F CB -0.039 39.041 39.000 0.134 0.000 1.097 276 F HN 0.008 nan 8.300 nan 0.000 0.595 277 I N -0.392 119.951 120.570 -0.378 0.000 3.325 277 I HA 0.013 4.181 4.170 -0.002 0.000 0.237 277 I C 2.100 177.841 176.117 -0.626 0.000 1.068 277 I CA 0.768 61.477 61.300 -0.985 0.000 1.511 277 I CB -0.808 36.429 38.000 -1.272 0.000 1.409 277 I HN -0.118 nan 8.210 nan 0.000 0.464 278 L N 0.543 121.504 121.223 -0.437 0.000 2.081 278 L HA -0.277 4.062 4.340 -0.002 0.000 0.212 278 L C 2.066 179.036 176.870 0.167 0.000 1.080 278 L CA 1.641 56.467 54.840 -0.024 0.000 0.754 278 L CB -0.594 41.523 42.059 0.097 0.000 0.893 278 L HN 0.351 nan 8.230 nan 0.000 0.433 279 D N -0.486 119.902 120.400 -0.020 0.000 2.088 279 D HA -0.149 4.489 4.640 -0.002 0.000 0.191 279 D C -0.473 175.889 176.300 0.104 0.000 0.992 279 D CA 1.498 55.504 54.000 0.009 0.000 0.831 279 D CB -0.948 39.788 40.800 -0.107 0.000 0.973 279 D HN 0.087 nan 8.370 nan 0.000 0.447 280 P HA -0.161 nan 4.420 nan 0.000 0.217 280 P C 1.532 178.934 177.300 0.170 0.000 1.158 280 P CA 1.270 64.466 63.100 0.161 0.000 0.887 280 P CB -0.050 31.845 31.700 0.324 0.000 0.792 281 I N -2.678 118.006 120.570 0.190 0.000 2.113 281 I HA -0.250 3.918 4.170 -0.002 0.000 0.238 281 I C 2.193 178.420 176.117 0.184 0.000 1.070 281 I CA 1.482 62.879 61.300 0.162 0.000 1.332 281 I CB -0.806 37.197 38.000 0.004 0.000 1.044 281 I HN -0.156 nan 8.210 nan 0.000 0.402 282 F N 0.934 120.913 119.950 0.049 0.000 2.091 282 F HA -0.268 4.257 4.527 -0.002 0.000 0.299 282 F C 2.788 178.647 175.800 0.099 0.000 1.103 282 F CA 1.720 59.740 58.000 0.034 0.000 1.228 282 F CB -0.502 38.480 39.000 -0.030 0.000 0.984 282 F HN -0.086 nan 8.300 nan 0.000 0.477 283 R N 0.192 120.839 120.500 0.245 0.000 2.127 283 R HA -0.166 4.173 4.340 -0.002 0.000 0.238 283 R C 2.135 178.493 176.300 0.097 0.000 1.134 283 R CA 1.152 57.335 56.100 0.138 0.000 0.975 283 R CB -0.391 29.954 30.300 0.077 0.000 0.865 283 R HN 0.333 nan 8.270 nan 0.000 0.447 284 L N -0.863 120.414 121.223 0.090 0.000 2.109 284 L HA -0.114 4.224 4.340 -0.002 0.000 0.207 284 L C 1.907 178.770 176.870 -0.011 0.000 1.086 284 L CA 1.038 55.871 54.840 -0.011 0.000 0.760 284 L CB -0.316 41.685 42.059 -0.097 0.000 0.910 284 L HN 0.151 nan 8.230 nan 0.000 0.437 285 F N 0.097 120.003 119.950 -0.072 0.000 2.014 285 F HA -0.258 4.267 4.527 -0.002 0.000 0.295 285 F C 2.696 178.477 175.800 -0.031 0.000 1.145 285 F CA 1.962 59.927 58.000 -0.058 0.000 1.178 285 F CB -0.860 38.092 39.000 -0.079 0.000 0.972 285 F HN -0.074 nan 8.300 nan 0.000 0.476 286 T N -0.152 114.539 114.554 0.228 0.000 2.760 286 T HA -0.287 4.062 4.350 -0.002 0.000 0.269 286 T C 1.937 176.681 174.700 0.073 0.000 1.047 286 T CA 1.367 63.554 62.100 0.146 0.000 1.139 286 T CB -0.574 68.386 68.868 0.154 0.000 0.855 286 T HN 0.359 nan 8.240 nan 0.000 0.471 287 A N 0.418 123.259 122.820 0.036 0.000 1.911 287 A HA 0.233 4.552 4.320 -0.002 0.000 0.212 287 A C 2.191 179.736 177.584 -0.065 0.000 1.189 287 A CA 0.552 52.588 52.037 -0.003 0.000 0.639 287 A CB -0.300 18.693 19.000 -0.012 0.000 0.839 287 A HN 0.510 nan 8.150 nan 0.000 0.449 288 I N -0.769 119.727 120.570 -0.123 0.000 2.716 288 I HA -0.088 4.080 4.170 -0.002 0.000 0.259 288 I C 1.772 177.665 176.117 -0.373 0.000 1.172 288 I CA 0.642 61.803 61.300 -0.232 0.000 1.478 288 I CB -0.113 37.743 38.000 -0.240 0.000 1.104 288 I HN 0.184 nan 8.210 nan 0.000 0.439 289 M N 0.249 119.708 119.600 -0.235 0.000 2.618 289 M HA 0.043 4.521 4.480 -0.002 0.000 0.240 289 M C 0.711 176.949 176.300 -0.103 0.000 1.123 289 M CA 0.979 56.151 55.300 -0.213 0.000 1.060 289 M CB -0.797 31.798 32.600 -0.008 0.000 1.535 289 M HN 0.203 nan 8.290 nan 0.000 0.507 290 N N -0.566 118.105 118.700 -0.047 0.000 2.160 290 N HA 0.149 4.888 4.740 -0.002 0.000 0.226 290 N C -0.444 175.338 175.510 0.453 0.000 1.256 290 N CA 0.007 53.220 53.050 0.271 0.000 0.890 290 N CB 0.685 39.273 38.487 0.168 0.000 1.116 290 N HN 0.208 nan 8.380 nan 0.000 0.517 291 F N 0.760 120.719 119.950 0.014 0.000 3.071 291 F HA -0.242 4.284 4.527 -0.002 0.000 0.295 291 F C 0.129 175.932 175.800 0.005 0.000 0.919 291 F CA 0.354 58.358 58.000 0.007 0.000 1.050 291 F CB -1.951 37.054 39.000 0.008 0.000 1.040 291 F HN -0.114 nan 8.300 nan 0.000 0.692 292 K N 1.397 121.858 120.400 0.101 0.000 3.006 292 K HA 0.073 4.392 4.320 -0.002 0.000 0.262 292 K C 1.306 177.930 176.600 0.040 0.000 1.289 292 K CA -0.084 56.245 56.287 0.070 0.000 1.245 292 K CB 0.026 32.554 32.500 0.048 0.000 1.614 292 K HN 0.528 nan 8.250 nan 0.000 0.322 293 K N -0.183 120.250 120.400 0.054 0.000 2.587 293 K HA -0.218 4.101 4.320 -0.002 0.000 0.196 293 K C 0.047 176.657 176.600 0.017 0.000 1.046 293 K CA 1.446 57.753 56.287 0.032 0.000 0.930 293 K CB 0.013 32.543 32.500 0.049 0.000 0.771 293 K HN 0.255 nan 8.250 nan 0.000 0.492 294 D N 0.911 121.321 120.400 0.017 0.000 2.422 294 D HA -0.006 4.633 4.640 -0.002 0.000 0.218 294 D C 1.215 177.517 176.300 0.003 0.000 1.047 294 D CA 0.464 54.470 54.000 0.010 0.000 0.885 294 D CB 0.294 41.103 40.800 0.014 0.000 1.035 294 D HN 0.448 nan 8.370 nan 0.000 0.502 295 E N 0.550 120.751 120.200 0.002 0.000 2.276 295 E HA 0.026 4.375 4.350 -0.002 0.000 0.193 295 E C 2.008 178.596 176.600 -0.019 0.000 0.983 295 E CA -0.117 56.281 56.400 -0.005 0.000 0.861 295 E CB 0.614 30.315 29.700 0.001 0.000 0.817 295 E HN 0.078 nan 8.360 nan 0.000 0.485 296 I N 1.745 122.299 120.570 -0.026 0.000 2.091 296 I HA -0.204 3.965 4.170 -0.002 0.000 0.239 296 I C -0.581 175.508 176.117 -0.048 0.000 1.061 296 I CA 1.600 62.872 61.300 -0.048 0.000 1.317 296 I CB -2.302 35.666 38.000 -0.054 0.000 1.031 296 I HN 0.013 nan 8.210 nan 0.000 0.401 297 P HA -0.153 nan 4.420 nan 0.000 0.215 297 P C 2.109 179.391 177.300 -0.030 0.000 1.157 297 P CA 1.985 65.067 63.100 -0.031 0.000 0.874 297 P CB -0.194 31.495 31.700 -0.019 0.000 0.790 298 V N -2.970 116.930 119.914 -0.023 0.000 2.453 298 V HA -0.153 3.965 4.120 -0.002 0.000 0.247 298 V C 2.106 178.184 176.094 -0.026 0.000 1.048 298 V CA 1.451 63.739 62.300 -0.018 0.000 1.049 298 V CB -1.700 30.117 31.823 -0.010 0.000 0.672 298 V HN -0.041 nan 8.190 nan 0.000 0.457 299 L N -0.477 120.724 121.223 -0.037 0.000 2.044 299 L HA 0.081 4.420 4.340 -0.002 0.000 0.205 299 L C 2.298 179.118 176.870 -0.084 0.000 1.075 299 L CA 1.865 56.674 54.840 -0.051 0.000 0.747 299 L CB -0.840 41.185 42.059 -0.057 0.000 0.903 299 L HN 0.279 nan 8.230 nan 0.000 0.435 300 L N -0.043 121.122 121.223 -0.096 0.000 2.017 300 L HA -0.224 4.115 4.340 -0.002 0.000 0.208 300 L C 2.606 179.426 176.870 -0.084 0.000 1.073 300 L CA 2.005 56.772 54.840 -0.121 0.000 0.745 300 L CB -0.995 41.002 42.059 -0.103 0.000 0.894 300 L HN 0.509 nan 8.230 nan 0.000 0.432 301 E N -0.270 119.899 120.200 -0.052 0.000 2.049 301 E HA -0.322 4.027 4.350 -0.002 0.000 0.198 301 E C 2.299 178.887 176.600 -0.020 0.000 1.007 301 E CA 1.759 58.141 56.400 -0.030 0.000 0.809 301 E CB -0.116 29.573 29.700 -0.020 0.000 0.749 301 E HN 0.374 nan 8.360 nan 0.000 0.450 302 K N 0.065 120.455 120.400 -0.018 0.000 2.074 302 K HA -0.139 4.179 4.320 -0.002 0.000 0.209 302 K C 2.151 178.764 176.600 0.022 0.000 1.048 302 K CA 1.527 57.817 56.287 0.006 0.000 0.926 302 K CB -0.073 32.432 32.500 0.008 0.000 0.713 302 K HN 0.254 nan 8.250 nan 0.000 0.444 303 L N 0.122 121.330 121.223 -0.025 0.000 2.492 303 L HA 0.041 4.379 4.340 -0.002 0.000 0.223 303 L C -0.135 176.744 176.870 0.015 0.000 1.132 303 L CA 0.461 55.290 54.840 -0.018 0.000 0.850 303 L CB -0.180 41.728 42.059 -0.252 0.000 0.966 303 L HN 0.276 nan 8.230 nan 0.000 0.454 304 E N 0.327 120.521 120.200 -0.009 0.000 2.497 304 E HA -0.156 4.192 4.350 -0.002 0.000 0.273 304 E C -0.385 176.216 176.600 0.002 0.000 1.045 304 E CA 0.092 56.498 56.400 0.009 0.000 0.797 304 E CB -1.524 28.202 29.700 0.042 0.000 1.352 304 E HN 0.393 nan 8.360 nan 0.000 0.399 305 I N 1.577 122.120 120.570 -0.046 0.000 2.330 305 I HA 0.251 4.419 4.170 -0.002 0.000 0.289 305 I C 0.447 176.540 176.117 -0.040 0.000 1.001 305 I CA -1.102 60.168 61.300 -0.049 0.000 1.193 305 I CB 1.187 39.102 38.000 -0.141 0.000 1.345 305 I HN -0.106 nan 8.210 nan 0.000 0.461 306 V N 5.884 125.788 119.914 -0.016 0.000 2.435 306 V HA 0.571 4.689 4.120 -0.002 0.000 0.290 306 V C -0.025 176.061 176.094 -0.014 0.000 1.030 306 V CA -0.748 61.543 62.300 -0.015 0.000 0.881 306 V CB 1.338 33.158 31.823 -0.005 0.000 0.983 306 V HN 0.516 nan 8.190 nan 0.000 0.445 307 L N 3.777 124.989 121.223 -0.019 0.000 2.376 307 L HA 0.743 5.081 4.340 -0.002 0.000 0.267 307 L C 0.139 177.003 176.870 -0.009 0.000 1.035 307 L CA -0.856 53.975 54.840 -0.016 0.000 0.800 307 L CB 1.702 43.746 42.059 -0.025 0.000 1.290 307 L HN 0.867 nan 8.230 nan 0.000 0.462 308 K N -0.306 120.090 120.400 -0.007 0.000 2.498 308 K HA 0.647 4.966 4.320 -0.002 0.000 0.254 308 K C 0.052 176.650 176.600 -0.004 0.000 0.933 308 K CA -0.193 56.092 56.287 -0.004 0.000 0.806 308 K CB 2.038 34.538 32.500 0.000 0.000 1.301 308 K HN 0.673 nan 8.250 nan 0.000 0.432 309 G N 2.930 111.729 108.800 -0.002 0.000 2.634 309 G HA2 -0.361 3.598 3.960 -0.002 0.000 0.309 309 G HA3 -0.361 3.598 3.960 -0.002 0.000 0.309 309 G C 0.286 175.184 174.900 -0.003 0.000 1.265 309 G CA 0.711 45.810 45.100 -0.002 0.000 0.998 309 G HN 0.823 nan 8.290 nan 0.000 0.551 310 D N 1.523 121.922 120.400 -0.002 0.000 2.378 310 D HA 0.008 4.646 4.640 -0.002 0.000 0.222 310 D C 2.208 178.505 176.300 -0.006 0.000 0.980 310 D CA 1.129 55.128 54.000 -0.002 0.000 0.907 310 D CB -0.124 40.676 40.800 -0.001 0.000 0.899 310 D HN 0.724 nan 8.370 nan 0.000 0.527 311 E N 1.009 121.204 120.200 -0.008 0.000 2.153 311 E HA -0.154 4.195 4.350 -0.002 0.000 0.194 311 E C 1.758 178.347 176.600 -0.019 0.000 0.988 311 E CA 0.660 57.052 56.400 -0.014 0.000 0.811 311 E CB -0.013 29.678 29.700 -0.015 0.000 0.746 311 E HN 0.316 nan 8.360 nan 0.000 0.466 312 K N 0.776 121.167 120.400 -0.015 0.000 2.286 312 K HA -0.149 4.170 4.320 -0.002 0.000 0.203 312 K C 0.747 177.339 176.600 -0.013 0.000 1.045 312 K CA 1.060 57.338 56.287 -0.016 0.000 0.935 312 K CB 0.021 32.515 32.500 -0.011 0.000 0.737 312 K HN 0.101 nan 8.250 nan 0.000 0.460 313 D N 0.557 120.952 120.400 -0.008 0.000 2.525 313 D HA 0.127 4.765 4.640 -0.002 0.000 0.229 313 D C 0.194 176.494 176.300 -0.000 0.000 1.202 313 D CA 0.063 54.063 54.000 -0.001 0.000 0.828 313 D CB 0.241 41.044 40.800 0.005 0.000 1.008 313 D HN 0.101 nan 8.370 nan 0.000 0.493 314 L N 0.461 121.676 121.223 -0.014 0.000 2.475 314 L HA 0.317 4.656 4.340 -0.002 0.000 0.253 314 L C 0.764 177.619 176.870 -0.025 0.000 1.198 314 L CA -0.060 54.768 54.840 -0.020 0.000 0.814 314 L CB 0.771 42.806 42.059 -0.040 0.000 1.134 314 L HN -0.167 nan 8.230 nan 0.000 0.478 315 E N -0.757 119.426 120.200 -0.028 0.000 2.413 315 E HA 0.421 4.769 4.350 -0.002 0.000 0.277 315 E C -0.163 176.350 176.600 -0.144 0.000 0.958 315 E CA -0.277 56.090 56.400 -0.055 0.000 0.779 315 E CB 2.024 31.800 29.700 0.127 0.000 1.278 315 E HN 0.742 nan 8.360 nan 0.000 0.456 316 G N 2.212 110.753 108.800 -0.432 0.000 2.582 316 G HA2 -0.378 3.581 3.960 -0.002 0.000 0.300 316 G HA3 -0.378 3.581 3.960 -0.002 0.000 0.300 316 G C 0.905 175.683 174.900 -0.204 0.000 1.300 316 G CA 0.530 45.384 45.100 -0.410 0.000 0.959 316 G HN 0.517 nan 8.290 nan 0.000 0.548 317 K N 0.103 120.441 120.400 -0.103 0.000 2.107 317 K HA -0.199 4.120 4.320 -0.002 0.000 0.211 317 K C 3.089 179.627 176.600 -0.103 0.000 1.049 317 K CA 2.432 58.671 56.287 -0.080 0.000 0.927 317 K CB -1.199 31.287 32.500 -0.023 0.000 0.714 317 K HN 0.915 nan 8.250 nan 0.000 0.452 318 A N 0.953 123.729 122.820 -0.075 0.000 1.948 318 A HA -0.181 4.138 4.320 -0.002 0.000 0.220 318 A C 2.193 179.728 177.584 -0.082 0.000 1.177 318 A CA 1.571 53.569 52.037 -0.065 0.000 0.636 318 A CB -0.433 18.546 19.000 -0.035 0.000 0.815 318 A HN 0.256 nan 8.150 nan 0.000 0.449 319 L N -1.294 119.865 121.223 -0.107 0.000 2.162 319 L HA 0.106 4.445 4.340 -0.002 0.000 0.205 319 L C 2.115 178.898 176.870 -0.145 0.000 1.086 319 L CA 1.494 56.264 54.840 -0.117 0.000 0.778 319 L CB -0.530 41.449 42.059 -0.133 0.000 0.928 319 L HN 0.314 nan 8.230 nan 0.000 0.446 320 L N -0.065 121.045 121.223 -0.188 0.000 2.127 320 L HA -0.233 4.106 4.340 -0.002 0.000 0.211 320 L C 2.487 179.261 176.870 -0.160 0.000 1.089 320 L CA 1.974 56.664 54.840 -0.250 0.000 0.757 320 L CB -0.674 41.196 42.059 -0.314 0.000 0.899 320 L HN 0.375 nan 8.230 nan 0.000 0.434 321 K N -1.426 118.904 120.400 -0.115 0.000 2.076 321 K HA -0.075 4.244 4.320 -0.002 0.000 0.204 321 K C 1.881 178.477 176.600 -0.005 0.000 1.051 321 K CA 1.338 57.595 56.287 -0.051 0.000 0.949 321 K CB 0.012 32.444 32.500 -0.113 0.000 0.726 321 K HN 0.255 nan 8.250 nan 0.000 0.443 322 V N 1.465 121.358 119.914 -0.035 0.000 2.237 322 V HA -0.243 3.876 4.120 -0.002 0.000 0.245 322 V C 2.400 178.488 176.094 -0.011 0.000 1.046 322 V CA 1.917 64.207 62.300 -0.016 0.000 1.007 322 V CB -0.331 31.474 31.823 -0.031 0.000 0.638 322 V HN 0.369 nan 8.190 nan 0.000 0.445 323 V N -2.681 117.201 119.914 -0.053 0.000 2.490 323 V HA -0.263 3.856 4.120 -0.002 0.000 0.250 323 V C 2.322 178.401 176.094 -0.025 0.000 1.061 323 V CA 1.886 64.145 62.300 -0.068 0.000 1.064 323 V CB -0.863 30.878 31.823 -0.136 0.000 0.670 323 V HN 0.383 nan 8.190 nan 0.000 0.461 324 M N 0.888 120.471 119.600 -0.029 0.000 2.236 324 M HA -0.012 4.466 4.480 -0.002 0.000 0.266 324 M C 2.506 178.910 176.300 0.173 0.000 1.070 324 M CA 2.096 57.399 55.300 0.005 0.000 1.137 324 M CB -0.996 31.530 32.600 -0.122 0.000 1.378 324 M HN 0.638 nan 8.290 nan 0.000 0.426 325 R N 0.315 120.924 120.500 0.180 0.000 2.115 325 R HA -0.099 4.240 4.340 -0.002 0.000 0.226 325 R C 1.780 178.173 176.300 0.155 0.000 1.100 325 R CA 1.194 57.414 56.100 0.201 0.000 0.980 325 R CB -0.372 30.015 30.300 0.146 0.000 0.875 325 R HN 0.273 nan 8.270 nan 0.000 0.445 326 K N -0.198 120.276 120.400 0.124 0.000 2.103 326 K HA -0.088 4.231 4.320 -0.002 0.000 0.204 326 K C 1.938 178.644 176.600 0.177 0.000 1.052 326 K CA 1.106 57.459 56.287 0.111 0.000 0.945 326 K CB -0.247 32.296 32.500 0.072 0.000 0.722 326 K HN 0.061 nan 8.250 nan 0.000 0.443 327 F N 1.378 121.322 119.950 -0.010 0.000 2.051 327 F HA -0.049 4.477 4.527 -0.002 0.000 0.296 327 F C 0.683 176.472 175.800 -0.017 0.000 1.122 327 F CA 1.229 59.208 58.000 -0.035 0.000 1.201 327 F CB 0.068 39.027 39.000 -0.068 0.000 0.978 327 F HN -0.174 nan 8.300 nan 0.000 0.472 328 L N 0.860 122.116 121.223 0.055 0.000 2.489 328 L HA 0.315 4.654 4.340 -0.002 0.000 0.257 328 L C -2.615 174.371 176.870 0.193 0.000 1.215 328 L CA -1.859 52.988 54.840 0.012 0.000 0.915 328 L CB 1.201 43.259 42.059 -0.001 0.000 1.146 328 L HN -0.200 nan 8.230 nan 0.000 0.494 329 P HA -0.018 nan 4.420 nan 0.000 0.254 329 P C 1.083 178.453 177.300 0.118 0.000 1.186 329 P CA 0.303 63.480 63.100 0.127 0.000 0.868 329 P CB 1.162 32.907 31.700 0.074 0.000 0.856 330 A N 5.726 128.632 122.820 0.144 0.000 1.944 330 A HA -0.346 3.973 4.320 -0.002 0.000 0.222 330 A C 2.238 179.842 177.584 0.033 0.000 1.237 330 A CA 2.697 54.781 52.037 0.078 0.000 0.668 330 A CB -1.631 17.388 19.000 0.031 0.000 0.830 330 A HN 0.480 nan 8.150 nan 0.000 0.471 331 A N -0.451 122.387 122.820 0.031 0.000 1.927 331 A HA -0.275 4.043 4.320 -0.002 0.000 0.220 331 A C 1.719 179.304 177.584 0.001 0.000 1.185 331 A CA 2.228 54.271 52.037 0.011 0.000 0.639 331 A CB -0.710 18.300 19.000 0.016 0.000 0.820 331 A HN 0.564 nan 8.150 nan 0.000 0.451 332 D N -0.302 120.104 120.400 0.011 0.000 2.183 332 D HA 0.085 4.724 4.640 -0.002 0.000 0.203 332 D C 2.168 178.464 176.300 -0.007 0.000 0.969 332 D CA 1.235 55.233 54.000 -0.004 0.000 0.842 332 D CB -0.438 40.361 40.800 -0.002 0.000 0.957 332 D HN 0.458 nan 8.370 nan 0.000 0.484 333 A N 0.998 123.825 122.820 0.010 0.000 1.855 333 A HA -0.100 4.219 4.320 -0.002 0.000 0.215 333 A C 2.345 179.914 177.584 -0.024 0.000 1.191 333 A CA 0.850 52.892 52.037 0.009 0.000 0.613 333 A CB -0.799 18.216 19.000 0.024 0.000 0.829 333 A HN 0.166 nan 8.150 nan 0.000 0.442 334 L N -0.634 120.567 121.223 -0.038 0.000 1.989 334 L HA -0.213 4.126 4.340 -0.002 0.000 0.211 334 L C 2.647 179.486 176.870 -0.050 0.000 1.071 334 L CA 1.358 56.167 54.840 -0.052 0.000 0.749 334 L CB -0.836 41.193 42.059 -0.051 0.000 0.890 334 L HN 0.355 nan 8.230 nan 0.000 0.431 335 L N -0.394 120.799 121.223 -0.049 0.000 2.043 335 L HA -0.254 4.084 4.340 -0.002 0.000 0.212 335 L C 2.661 179.472 176.870 -0.098 0.000 1.075 335 L CA 1.228 56.026 54.840 -0.070 0.000 0.752 335 L CB -0.480 41.542 42.059 -0.063 0.000 0.891 335 L HN 0.361 nan 8.230 nan 0.000 0.432 336 E N 0.128 120.284 120.200 -0.074 0.000 2.007 336 E HA -0.294 4.055 4.350 -0.002 0.000 0.203 336 E C 2.288 178.834 176.600 -0.089 0.000 1.020 336 E CA 1.979 58.328 56.400 -0.084 0.000 0.845 336 E CB -0.156 29.524 29.700 -0.034 0.000 0.779 336 E HN 0.355 nan 8.360 nan 0.000 0.466 337 M N 0.363 119.957 119.600 -0.010 0.000 2.103 337 M HA -0.287 4.192 4.480 -0.002 0.000 0.255 337 M C 2.370 178.670 176.300 0.000 0.000 1.074 337 M CA 1.646 56.995 55.300 0.081 0.000 1.090 337 M CB -0.597 32.033 32.600 0.050 0.000 1.325 337 M HN 0.253 nan 8.290 nan 0.000 0.403 338 I N -0.467 120.071 120.570 -0.053 0.000 2.068 338 I HA -0.338 3.831 4.170 -0.002 0.000 0.238 338 I C 2.345 178.378 176.117 -0.139 0.000 1.046 338 I CA 1.756 63.012 61.300 -0.072 0.000 1.306 338 I CB -0.710 37.244 38.000 -0.077 0.000 1.023 338 I HN 0.129 nan 8.210 nan 0.000 0.399 339 V N 0.937 120.699 119.914 -0.253 0.000 2.295 339 V HA -0.258 3.861 4.120 -0.002 0.000 0.246 339 V C 2.252 178.108 176.094 -0.397 0.000 1.049 339 V CA 1.743 63.764 62.300 -0.465 0.000 1.024 339 V CB -0.564 30.834 31.823 -0.709 0.000 0.648 339 V HN 0.390 nan 8.190 nan 0.000 0.447 340 L N -1.146 119.861 121.223 -0.360 0.000 2.418 340 L HA 0.027 4.365 4.340 -0.002 0.000 0.218 340 L C 2.188 178.735 176.870 -0.539 0.000 1.125 340 L CA 0.900 55.465 54.840 -0.459 0.000 0.835 340 L CB -0.378 41.333 42.059 -0.580 0.000 0.953 340 L HN 0.473 nan 8.230 nan 0.000 0.454 341 H N -1.604 117.425 119.070 -0.069 0.000 3.400 341 H HA 0.331 4.887 4.556 -0.001 0.000 0.251 341 H C 0.530 175.846 175.328 -0.020 0.000 1.040 341 H CA -0.201 55.825 56.048 -0.037 0.000 1.175 341 H CB 0.943 30.683 29.762 -0.037 0.000 1.487 341 H HN 0.118 nan 8.280 nan 0.000 0.505 342 L N 5.068 126.332 121.223 0.068 0.000 2.305 342 L HA 0.239 4.578 4.340 -0.002 0.000 0.281 342 L C -1.955 174.949 176.870 0.056 0.000 1.085 342 L CA -1.785 53.090 54.840 0.058 0.000 0.813 342 L CB 1.103 43.183 42.059 0.034 0.000 1.157 342 L HN -0.093 nan 8.230 nan 0.000 0.436 343 P HA 0.040 nan 4.420 nan 0.000 0.270 343 P C -0.559 176.800 177.300 0.099 0.000 1.223 343 P CA -0.295 62.877 63.100 0.121 0.000 0.785 343 P CB 1.085 32.910 31.700 0.208 0.000 0.923 344 S N 1.174 116.933 115.700 0.097 0.000 2.738 344 S HA 0.454 4.922 4.470 -0.002 0.000 0.284 344 S C -1.898 172.740 174.600 0.064 0.000 1.146 344 S CA -1.426 56.825 58.200 0.085 0.000 0.997 344 S CB 0.445 63.704 63.200 0.098 0.000 1.081 344 S HN 0.206 nan 8.310 nan 0.000 0.553 345 P HA -0.070 nan 4.420 nan 0.000 0.213 345 P C 1.693 179.004 177.300 0.019 0.000 1.170 345 P CA 0.967 64.083 63.100 0.027 0.000 0.893 345 P CB -0.387 31.320 31.700 0.012 0.000 0.784 346 V N -0.503 119.428 119.914 0.029 0.000 2.311 346 V HA -0.331 3.788 4.120 -0.002 0.000 0.256 346 V C 2.242 178.355 176.094 0.032 0.000 1.077 346 V CA 2.795 65.112 62.300 0.028 0.000 1.067 346 V CB -2.094 29.751 31.823 0.037 0.000 0.659 346 V HN 0.232 nan 8.190 nan 0.000 0.451 347 T N -0.176 114.412 114.554 0.056 0.000 2.770 347 T HA 0.054 4.402 4.350 -0.002 0.000 0.258 347 T C 2.057 176.802 174.700 0.074 0.000 1.039 347 T CA 1.416 63.580 62.100 0.107 0.000 1.143 347 T CB -0.337 68.622 68.868 0.151 0.000 0.866 347 T HN 0.583 nan 8.240 nan 0.000 0.428 348 A N 1.434 124.224 122.820 -0.051 0.000 1.897 348 A HA -0.053 4.266 4.320 -0.002 0.000 0.215 348 A C 2.153 179.332 177.584 -0.675 0.000 1.181 348 A CA 0.987 52.705 52.037 -0.532 0.000 0.620 348 A CB -0.595 18.288 19.000 -0.195 0.000 0.821 348 A HN 0.493 nan 8.150 nan 0.000 0.443 349 Q N -0.529 119.122 119.800 -0.247 0.000 2.508 349 Q HA -0.062 4.277 4.340 -0.002 0.000 0.214 349 Q C 2.017 177.910 176.000 -0.178 0.000 0.979 349 Q CA 0.766 56.478 55.803 -0.152 0.000 0.911 349 Q CB -0.289 28.456 28.738 0.012 0.000 0.969 349 Q HN 0.721 nan 8.270 nan 0.000 0.504 350 A N 0.374 123.075 122.820 -0.198 0.000 1.943 350 A HA -0.102 4.216 4.320 -0.002 0.000 0.213 350 A C 1.540 179.099 177.584 -0.042 0.000 1.181 350 A CA 0.569 52.561 52.037 -0.075 0.000 0.653 350 A CB -0.288 18.726 19.000 0.024 0.000 0.833 350 A HN 0.552 nan 8.150 nan 0.000 0.451 351 Y N -2.936 117.370 120.300 0.010 0.000 2.458 351 Y HA 0.519 5.068 4.550 -0.003 0.000 0.256 351 Y C 1.630 177.529 175.900 -0.001 0.000 1.159 351 Y CA -0.066 58.037 58.100 0.005 0.000 1.261 351 Y CB -0.001 38.467 38.460 0.013 0.000 1.119 351 Y HN 0.072 nan 8.280 nan 0.000 0.524 352 R N 0.010 120.316 120.500 -0.323 0.000 2.437 352 R HA 0.402 4.741 4.340 -0.002 0.000 0.257 352 R C 1.974 178.172 176.300 -0.171 0.000 0.927 352 R CA 0.579 56.557 56.100 -0.203 0.000 1.078 352 R CB 0.290 30.415 30.300 -0.292 0.000 1.161 352 R HN 0.406 nan 8.270 nan 0.000 0.529 353 A N 1.388 124.114 122.820 -0.158 0.000 1.855 353 A HA -0.166 4.152 4.320 -0.002 0.000 0.215 353 A C 1.710 179.233 177.584 -0.101 0.000 1.191 353 A CA 1.225 53.168 52.037 -0.156 0.000 0.613 353 A CB -0.209 18.709 19.000 -0.136 0.000 0.829 353 A HN 0.275 nan 8.150 nan 0.000 0.442 354 E N -0.700 119.469 120.200 -0.052 0.000 2.021 354 E HA -0.318 4.030 4.350 -0.002 0.000 0.200 354 E C 2.289 178.886 176.600 -0.004 0.000 1.015 354 E CA 1.580 57.976 56.400 -0.007 0.000 0.824 354 E CB -0.317 29.384 29.700 0.001 0.000 0.762 354 E HN 0.777 nan 8.360 nan 0.000 0.454 355 Q N 0.681 120.465 119.800 -0.027 0.000 2.173 355 Q HA -0.205 4.133 4.340 -0.002 0.000 0.208 355 Q C 2.098 178.049 176.000 -0.083 0.000 0.989 355 Q CA 1.347 57.126 55.803 -0.042 0.000 0.872 355 Q CB -0.088 28.633 28.738 -0.029 0.000 0.909 355 Q HN 0.298 nan 8.270 nan 0.000 0.420 356 L N -0.560 120.584 121.223 -0.133 0.000 2.554 356 L HA 0.047 4.385 4.340 -0.002 0.000 0.226 356 L C 0.229 177.016 176.870 -0.138 0.000 1.137 356 L CA -0.139 54.564 54.840 -0.229 0.000 0.863 356 L CB 0.114 41.914 42.059 -0.432 0.000 0.985 356 L HN 0.205 nan 8.230 nan 0.000 0.451 357 Y N 0.511 120.694 120.300 -0.194 0.000 2.352 357 Y HA 0.188 4.737 4.550 -0.001 0.000 0.339 357 Y C 1.076 176.928 175.900 -0.080 0.000 0.992 357 Y CA -0.917 57.102 58.100 -0.134 0.000 1.100 357 Y CB 1.027 39.413 38.460 -0.123 0.000 1.192 357 Y HN -0.016 nan 8.280 nan 0.000 0.458 358 E N 3.345 123.275 120.200 -0.449 0.000 2.465 358 E HA 0.149 4.498 4.350 -0.002 0.000 0.191 358 E C 0.538 176.948 176.600 -0.318 0.000 1.053 358 E CA 0.163 56.402 56.400 -0.269 0.000 0.869 358 E CB 0.576 30.185 29.700 -0.151 0.000 0.977 358 E HN 0.879 nan 8.360 nan 0.000 0.483 359 G N 1.959 110.289 108.800 -0.782 0.000 2.890 359 G HA2 0.341 4.299 3.960 -0.002 0.000 0.189 359 G HA3 0.341 4.299 3.960 -0.002 0.000 0.189 359 G C -2.614 172.187 174.900 -0.166 0.000 1.342 359 G CA -1.036 43.588 45.100 -0.793 0.000 1.026 359 G HN -0.123 nan 8.290 nan 0.000 0.579 360 P HA 0.297 nan 4.420 nan 0.000 0.270 360 P C 0.453 177.789 177.300 0.060 0.000 1.242 360 P CA 0.145 63.239 63.100 -0.011 0.000 0.768 360 P CB 1.279 32.959 31.700 -0.034 0.000 0.820 361 A N 3.618 126.456 122.820 0.030 0.000 2.186 361 A HA -0.190 4.129 4.320 -0.002 0.000 0.219 361 A C 1.422 178.986 177.584 -0.033 0.000 1.159 361 A CA 1.911 53.953 52.037 0.008 0.000 0.680 361 A CB -0.927 18.074 19.000 0.002 0.000 0.787 361 A HN 0.633 nan 8.150 nan 0.000 0.467 362 D N -1.441 118.941 120.400 -0.030 0.000 2.407 362 D HA 0.113 4.752 4.640 -0.002 0.000 0.208 362 D C 0.503 176.774 176.300 -0.048 0.000 1.083 362 D CA 0.079 54.057 54.000 -0.038 0.000 0.844 362 D CB -0.249 40.536 40.800 -0.025 0.000 0.967 362 D HN 0.305 nan 8.370 nan 0.000 0.506 363 D N -0.025 120.347 120.400 -0.047 0.000 2.383 363 D HA 0.089 4.727 4.640 -0.002 0.000 0.233 363 D C 1.557 177.806 176.300 -0.086 0.000 1.233 363 D CA 0.802 54.776 54.000 -0.043 0.000 0.881 363 D CB 0.944 41.751 40.800 0.012 0.000 1.212 363 D HN 0.102 nan 8.370 nan 0.000 0.467 364 A N 2.609 125.395 122.820 -0.056 0.000 1.877 364 A HA -0.221 4.098 4.320 -0.002 0.000 0.216 364 A C 1.940 179.460 177.584 -0.107 0.000 1.186 364 A CA 1.913 53.913 52.037 -0.061 0.000 0.620 364 A CB -0.812 18.173 19.000 -0.024 0.000 0.822 364 A HN 0.753 nan 8.150 nan 0.000 0.443 365 N N -0.671 117.945 118.700 -0.141 0.000 2.092 365 N HA -0.144 4.595 4.740 -0.002 0.000 0.189 365 N C 1.698 176.954 175.510 -0.422 0.000 1.040 365 N CA 1.443 54.364 53.050 -0.215 0.000 0.845 365 N CB -0.754 37.649 38.487 -0.139 0.000 1.017 365 N HN 0.526 nan 8.380 nan 0.000 0.426 366 C N 0.682 119.506 119.300 -0.794 0.000 2.395 366 C HA -0.097 4.362 4.460 -0.002 0.000 0.287 366 C C 2.085 176.856 174.990 -0.364 0.000 1.281 366 C CA 0.626 59.145 59.018 -0.833 0.000 1.818 366 C CB -1.405 25.904 27.740 -0.718 0.000 1.990 366 C HN 0.328 nan 8.230 nan 0.000 0.516 367 I N 1.115 121.536 120.570 -0.249 0.000 2.400 367 I HA 0.042 4.211 4.170 -0.002 0.000 0.248 367 I C 2.837 178.886 176.117 -0.114 0.000 1.109 367 I CA 1.499 62.712 61.300 -0.144 0.000 1.425 367 I CB -1.871 36.069 38.000 -0.099 0.000 1.094 367 I HN 0.345 nan 8.210 nan 0.000 0.425 368 A N 1.027 123.778 122.820 -0.115 0.000 2.178 368 A HA -0.118 4.201 4.320 -0.002 0.000 0.218 368 A C 2.131 179.683 177.584 -0.054 0.000 1.157 368 A CA 1.050 53.045 52.037 -0.069 0.000 0.689 368 A CB -0.501 18.466 19.000 -0.056 0.000 0.787 368 A HN 0.268 nan 8.150 nan 0.000 0.465 369 I N -0.469 120.046 120.570 -0.093 0.000 2.270 369 I HA -0.114 4.054 4.170 -0.002 0.000 0.239 369 I C 2.162 178.251 176.117 -0.047 0.000 1.080 369 I CA 1.214 62.478 61.300 -0.059 0.000 1.383 369 I CB -1.422 36.487 38.000 -0.151 0.000 1.097 369 I HN 0.295 nan 8.210 nan 0.000 0.420 370 K N 1.097 121.450 120.400 -0.079 0.000 2.059 370 K HA -0.213 4.106 4.320 -0.002 0.000 0.212 370 K C 1.715 178.296 176.600 -0.032 0.000 1.050 370 K CA 1.827 58.079 56.287 -0.059 0.000 0.927 370 K CB -0.210 32.256 32.500 -0.057 0.000 0.714 370 K HN 0.307 nan 8.250 nan 0.000 0.447 371 N N 0.115 118.797 118.700 -0.029 0.000 2.409 371 N HA -0.084 4.655 4.740 -0.002 0.000 0.179 371 N C 0.471 175.979 175.510 -0.003 0.000 1.032 371 N CA 0.613 53.655 53.050 -0.014 0.000 0.898 371 N CB -0.257 38.220 38.487 -0.017 0.000 0.971 371 N HN 0.224 nan 8.380 nan 0.000 0.441 372 C N 2.068 121.369 119.300 0.003 0.000 4.350 372 C HA -0.221 4.238 4.460 -0.002 0.000 0.302 372 C C -0.181 174.814 174.990 0.009 0.000 1.390 372 C CA -0.361 58.669 59.018 0.019 0.000 2.016 372 C CB -2.541 25.211 27.740 0.020 0.000 1.271 372 C HN 0.476 nan 8.230 nan 0.000 0.760 373 D N 1.319 121.720 120.400 0.002 0.000 2.316 373 D HA 0.353 4.992 4.640 -0.002 0.000 0.245 373 D C -0.280 176.020 176.300 0.000 0.000 1.171 373 D CA -1.867 52.132 54.000 -0.002 0.000 0.856 373 D CB 1.024 41.819 40.800 -0.008 0.000 1.090 373 D HN 0.380 nan 8.370 nan 0.000 0.476 374 P HA -0.075 nan 4.420 nan 0.000 0.233 374 P C 0.426 177.724 177.300 -0.003 0.000 1.167 374 P CA 0.631 63.729 63.100 -0.003 0.000 0.770 374 P CB 0.333 32.029 31.700 -0.007 0.000 0.837 375 K N -0.653 119.745 120.400 -0.004 0.000 2.404 375 K HA 0.249 4.568 4.320 -0.002 0.000 0.194 375 K C 1.339 177.937 176.600 -0.004 0.000 1.023 375 K CA -0.158 56.126 56.287 -0.005 0.000 1.094 375 K CB 0.318 32.814 32.500 -0.006 0.000 0.841 375 K HN 0.093 nan 8.250 nan 0.000 0.523 376 A N 1.374 124.192 122.820 -0.004 0.000 2.336 376 A HA 0.132 4.450 4.320 -0.002 0.000 0.278 376 A C -0.269 177.316 177.584 0.002 0.000 1.371 376 A CA -0.388 51.646 52.037 -0.004 0.000 0.842 376 A CB 0.169 19.163 19.000 -0.011 0.000 1.363 376 A HN 0.036 nan 8.150 nan 0.000 0.517 377 D N 0.478 120.881 120.400 0.004 0.000 2.348 377 D HA 0.304 4.943 4.640 -0.002 0.000 0.253 377 D C 0.011 176.325 176.300 0.024 0.000 1.161 377 D CA -0.006 54.002 54.000 0.014 0.000 0.876 377 D CB 0.796 41.608 40.800 0.020 0.000 1.160 377 D HN 0.358 nan 8.370 nan 0.000 0.459 378 L N 3.380 124.618 121.223 0.025 0.000 2.667 378 L HA -0.118 4.221 4.340 -0.002 0.000 0.296 378 L C -0.233 176.672 176.870 0.058 0.000 1.252 378 L CA 0.962 55.823 54.840 0.034 0.000 0.891 378 L CB 0.017 42.091 42.059 0.025 0.000 1.141 378 L HN 0.330 nan 8.230 nan 0.000 0.501 379 M N 7.572 127.222 119.600 0.083 0.000 2.151 379 M HA 0.266 4.745 4.480 -0.002 0.000 0.229 379 M C -1.143 175.273 176.300 0.193 0.000 1.029 379 M CA -0.129 55.251 55.300 0.134 0.000 0.765 379 M CB 0.740 33.418 32.600 0.130 0.000 1.969 379 M HN 0.551 nan 8.290 nan 0.000 0.352 380 L N 2.135 123.452 121.223 0.157 0.000 2.295 380 L HA 0.559 4.897 4.340 -0.002 0.000 0.285 380 L C -1.435 175.584 176.870 0.248 0.000 1.035 380 L CA -0.675 54.260 54.840 0.157 0.000 0.806 380 L CB 1.485 43.575 42.059 0.052 0.000 1.214 380 L HN 0.514 nan 8.230 nan 0.000 0.426 381 Y N 4.937 125.336 120.300 0.166 0.000 2.331 381 Y HA 0.476 5.025 4.550 -0.003 0.000 0.338 381 Y C -0.876 175.070 175.900 0.077 0.000 0.992 381 Y CA -0.902 57.300 58.100 0.169 0.000 1.121 381 Y CB 1.494 40.161 38.460 0.345 0.000 1.184 381 Y HN 0.263 nan 8.280 nan 0.000 0.469 382 V N 6.753 126.458 119.914 -0.349 0.000 2.368 382 V HA 0.110 4.229 4.120 -0.002 0.000 0.266 382 V C 0.915 176.603 176.094 -0.678 0.000 1.045 382 V CA 0.219 62.292 62.300 -0.379 0.000 0.899 382 V CB 0.741 32.479 31.823 -0.142 0.000 1.006 382 V HN 1.011 nan 8.190 nan 0.000 0.470 383 S N 4.212 119.611 115.700 -0.502 0.000 2.387 383 S HA 0.042 4.510 4.470 -0.002 0.000 0.226 383 S C 0.620 175.206 174.600 -0.022 0.000 1.026 383 S CA 1.267 59.304 58.200 -0.273 0.000 0.972 383 S CB -0.015 63.243 63.200 0.096 0.000 0.814 383 S HN 0.923 nan 8.310 nan 0.000 0.477 384 K N -1.105 119.338 120.400 0.071 0.000 2.772 384 K HA 0.276 4.595 4.320 -0.002 0.000 0.292 384 K C -1.640 175.035 176.600 0.126 0.000 1.049 384 K CA -0.886 55.453 56.287 0.086 0.000 0.846 384 K CB 0.259 32.808 32.500 0.082 0.000 1.514 384 K HN -0.067 nan 8.250 nan 0.000 0.373 385 M N 2.598 122.264 119.600 0.110 0.000 2.129 385 M HA 0.293 4.772 4.480 -0.002 0.000 0.348 385 M C -0.664 175.785 176.300 0.249 0.000 1.116 385 M CA -0.920 54.484 55.300 0.173 0.000 1.022 385 M CB 0.997 33.646 32.600 0.082 0.000 1.599 385 M HN 0.572 nan 8.290 nan 0.000 0.449 386 V N 6.400 126.456 119.914 0.237 0.000 2.427 386 V HA 0.596 4.715 4.120 -0.002 0.000 0.286 386 V C -2.460 173.617 176.094 -0.029 0.000 1.034 386 V CA -1.973 60.394 62.300 0.111 0.000 0.893 386 V CB 1.762 33.597 31.823 0.020 0.000 0.982 386 V HN 0.600 nan 8.190 nan 0.000 0.452 387 P HA 0.317 nan 4.420 nan 0.000 0.269 387 P C -0.602 176.393 177.300 -0.509 0.000 1.215 387 P CA 0.335 63.078 63.100 -0.596 0.000 0.780 387 P CB 0.605 32.082 31.700 -0.372 0.000 0.898 388 T N -2.722 111.473 114.554 -0.598 0.000 2.821 388 T HA 0.347 4.695 4.350 -0.002 0.000 0.306 388 T C 0.784 175.269 174.700 -0.359 0.000 1.313 388 T CA -0.168 61.638 62.100 -0.490 0.000 1.012 388 T CB 0.861 69.282 68.868 -0.744 0.000 1.298 388 T HN 0.210 nan 8.240 nan 0.000 0.502 389 S N -0.168 115.383 115.700 -0.250 0.000 2.607 389 S HA 0.046 4.514 4.470 -0.002 0.000 0.224 389 S C 0.597 175.119 174.600 -0.129 0.000 0.969 389 S CA 0.592 58.696 58.200 -0.160 0.000 0.927 389 S CB -0.665 62.476 63.200 -0.098 0.000 0.772 389 S HN 0.762 nan 8.310 nan 0.000 0.533 390 D N 3.832 124.138 120.400 -0.157 0.000 2.671 390 D HA 0.068 4.706 4.640 -0.002 0.000 0.228 390 D C -0.061 176.201 176.300 -0.064 0.000 1.102 390 D CA -0.107 53.850 54.000 -0.072 0.000 1.044 390 D CB -0.918 39.879 40.800 -0.006 0.000 1.113 390 D HN 0.589 nan 8.370 nan 0.000 0.480 391 K N 0.916 121.277 120.400 -0.064 0.000 4.789 391 K HA -0.228 4.091 4.320 -0.002 0.000 0.290 391 K C 0.870 177.442 176.600 -0.047 0.000 0.798 391 K CA 0.670 56.927 56.287 -0.050 0.000 0.860 391 K CB -2.165 30.322 32.500 -0.021 0.000 1.852 391 K HN 0.473 nan 8.250 nan 0.000 0.413 392 G N 0.756 109.502 108.800 -0.090 0.000 2.180 392 G HA2 -0.350 3.608 3.960 -0.002 0.000 0.263 392 G HA3 -0.350 3.608 3.960 -0.002 0.000 0.263 392 G C -0.038 174.858 174.900 -0.006 0.000 0.989 392 G CA 0.618 45.681 45.100 -0.061 0.000 0.692 392 G HN 0.626 nan 8.290 nan 0.000 0.526 393 R N -0.761 119.703 120.500 -0.060 0.000 2.428 393 R HA 0.679 5.018 4.340 -0.002 0.000 0.294 393 R C -0.267 175.999 176.300 -0.057 0.000 1.000 393 R CA -0.554 55.597 56.100 0.084 0.000 0.960 393 R CB 0.623 31.008 30.300 0.141 0.000 1.076 393 R HN 0.100 nan 8.270 nan 0.000 0.475 394 F N 1.371 121.343 119.950 0.036 0.000 2.483 394 F HA 0.419 4.945 4.527 -0.002 0.000 0.329 394 F C 0.100 176.099 175.800 0.331 0.000 1.064 394 F CA -0.676 57.347 58.000 0.039 0.000 0.986 394 F CB 0.753 39.762 39.000 0.015 0.000 1.218 394 F HN 0.213 nan 8.300 nan 0.000 0.484 395 Y N 0.340 120.736 120.300 0.160 0.000 2.487 395 Y HA 0.676 5.225 4.550 -0.002 0.000 0.337 395 Y C 0.066 176.040 175.900 0.122 0.000 1.076 395 Y CA -2.604 55.559 58.100 0.105 0.000 1.115 395 Y CB 1.361 39.864 38.460 0.072 0.000 1.235 395 Y HN 0.619 nan 8.280 nan 0.000 0.468 396 A N 3.217 126.170 122.820 0.221 0.000 2.320 396 A HA 0.493 4.812 4.320 -0.002 0.000 0.287 396 A C -1.278 176.402 177.584 0.160 0.000 1.181 396 A CA -0.332 51.791 52.037 0.144 0.000 0.831 396 A CB -0.419 18.612 19.000 0.052 0.000 1.102 396 A HN 0.564 nan 8.150 nan 0.000 0.513 397 F N 3.193 123.158 119.950 0.025 0.000 2.427 397 F HA 0.683 5.208 4.527 -0.002 0.000 0.346 397 F C 0.404 176.174 175.800 -0.050 0.000 1.120 397 F CA 0.435 58.438 58.000 0.004 0.000 1.033 397 F CB 1.245 40.253 39.000 0.013 0.000 1.126 397 F HN 0.801 nan 8.300 nan 0.000 0.462 398 G N 5.323 113.640 108.800 -0.806 0.000 2.634 398 G HA2 0.459 4.418 3.960 -0.002 0.000 0.309 398 G HA3 0.459 4.418 3.960 -0.002 0.000 0.309 398 G C -2.124 172.426 174.900 -0.582 0.000 1.299 398 G CA -1.239 43.489 45.100 -0.621 0.000 0.798 398 G HN 0.792 nan 8.290 nan 0.000 0.490 399 R N -0.610 119.676 120.500 -0.357 0.000 2.670 399 R HA 0.629 4.968 4.340 -0.002 0.000 0.289 399 R C -1.347 174.731 176.300 -0.371 0.000 0.965 399 R CA -0.557 55.283 56.100 -0.432 0.000 0.899 399 R CB 2.207 32.132 30.300 -0.625 0.000 1.173 399 R HN 0.312 nan 8.270 nan 0.000 0.456 400 V N 6.331 126.049 119.914 -0.327 0.000 2.322 400 V HA 0.165 4.283 4.120 -0.002 0.000 0.258 400 V C 0.222 176.198 176.094 -0.196 0.000 1.074 400 V CA 0.003 62.200 62.300 -0.173 0.000 0.909 400 V CB 0.544 32.304 31.823 -0.106 0.000 1.090 400 V HN 0.789 nan 8.190 nan 0.000 0.486 401 F N 2.998 122.954 119.950 0.009 0.000 2.558 401 F HA 0.435 4.960 4.527 -0.003 0.000 0.298 401 F C 1.234 177.022 175.800 -0.020 0.000 1.119 401 F CA 0.749 58.747 58.000 -0.004 0.000 1.451 401 F CB 0.229 39.231 39.000 0.004 0.000 1.091 401 F HN 0.566 nan 8.300 nan 0.000 0.563 402 A N -1.361 121.546 122.820 0.144 0.000 2.599 402 A HA 0.586 4.905 4.320 -0.002 0.000 0.294 402 A C 0.213 177.821 177.584 0.040 0.000 1.055 402 A CA -0.318 51.761 52.037 0.070 0.000 0.683 402 A CB 0.164 19.195 19.000 0.052 0.000 1.278 402 A HN 0.712 nan 8.150 nan 0.000 0.412 403 G N -0.202 108.609 108.800 0.019 0.000 2.601 403 G HA2 0.427 4.386 3.960 -0.002 0.000 0.252 403 G HA3 0.427 4.386 3.960 -0.002 0.000 0.252 403 G C 0.364 175.266 174.900 0.004 0.000 1.294 403 G CA 0.559 45.665 45.100 0.010 0.000 0.912 403 G HN 2.995 nan 8.290 nan 0.000 0.574 404 T N -3.042 111.512 114.554 -0.001 0.000 2.923 404 T HA 0.652 5.001 4.350 -0.002 0.000 0.311 404 T C -0.321 174.373 174.700 -0.010 0.000 1.183 404 T CA 0.167 62.262 62.100 -0.009 0.000 1.020 404 T CB 1.721 70.581 68.868 -0.012 0.000 1.165 404 T HN 1.591 nan 8.240 nan 0.000 0.482 405 V N 3.034 122.937 119.914 -0.017 0.000 2.863 405 V HA 0.682 4.801 4.120 -0.002 0.000 0.307 405 V C 0.093 176.176 176.094 -0.018 0.000 1.061 405 V CA -0.686 61.603 62.300 -0.017 0.000 1.024 405 V CB 1.472 33.280 31.823 -0.026 0.000 1.049 405 V HN 0.954 nan 8.190 nan 0.000 0.471 406 K N 1.056 121.446 120.400 -0.016 0.000 2.498 406 K HA 0.468 4.786 4.320 -0.002 0.000 0.254 406 K C -0.903 175.687 176.600 -0.017 0.000 0.933 406 K CA -0.616 55.661 56.287 -0.016 0.000 0.806 406 K CB 2.200 34.693 32.500 -0.012 0.000 1.301 406 K HN 0.621 nan 8.250 nan 0.000 0.432 407 S N 0.427 116.116 115.700 -0.019 0.000 2.549 407 S HA 0.218 4.687 4.470 -0.002 0.000 0.286 407 S C 1.196 175.788 174.600 -0.014 0.000 1.314 407 S CA 1.050 59.237 58.200 -0.020 0.000 1.062 407 S CB 0.597 63.784 63.200 -0.021 0.000 0.865 407 S HN 0.954 nan 8.310 nan 0.000 0.498 408 G N 1.728 110.521 108.800 -0.013 0.000 2.168 408 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.263 408 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.263 408 G C 0.092 174.989 174.900 -0.004 0.000 0.977 408 G CA 0.587 45.683 45.100 -0.006 0.000 0.659 408 G HN 0.767 nan 8.290 nan 0.000 0.533 409 Q N 0.254 120.050 119.800 -0.006 0.000 2.474 409 Q HA 0.379 4.718 4.340 -0.002 0.000 0.256 409 Q C 0.076 176.074 176.000 -0.003 0.000 1.048 409 Q CA 0.180 55.980 55.803 -0.005 0.000 0.922 409 Q CB 0.273 29.008 28.738 -0.006 0.000 1.288 409 Q HN 0.374 nan 8.270 nan 0.000 0.484 410 K N 2.459 122.856 120.400 -0.005 0.000 2.292 410 K HA 0.348 4.667 4.320 -0.002 0.000 0.270 410 K C -1.233 175.361 176.600 -0.009 0.000 1.062 410 K CA -0.447 55.836 56.287 -0.007 0.000 0.916 410 K CB 1.364 33.859 32.500 -0.008 0.000 1.166 410 K HN 0.335 nan 8.250 nan 0.000 0.458 411 V N 2.668 122.576 119.914 -0.011 0.000 3.019 411 V HA 0.411 4.530 4.120 -0.002 0.000 0.317 411 V C 0.041 176.120 176.094 -0.025 0.000 1.094 411 V CA -1.117 61.176 62.300 -0.012 0.000 1.000 411 V CB 1.979 33.800 31.823 -0.003 0.000 1.060 411 V HN 0.646 nan 8.190 nan 0.000 0.443 412 R N 1.943 122.422 120.500 -0.036 0.000 2.522 412 R HA 0.442 4.781 4.340 -0.002 0.000 0.290 412 R C -1.140 175.103 176.300 -0.095 0.000 1.216 412 R CA -0.528 55.529 56.100 -0.072 0.000 1.250 412 R CB 0.382 30.629 30.300 -0.089 0.000 1.143 412 R HN 0.472 nan 8.270 nan 0.000 0.553 413 I N 3.111 123.659 120.570 -0.035 0.000 2.505 413 I HA -0.053 4.116 4.170 -0.002 0.000 0.287 413 I C 0.448 176.543 176.117 -0.038 0.000 1.104 413 I CA 0.629 61.934 61.300 0.008 0.000 1.387 413 I CB 0.540 38.600 38.000 0.100 0.000 1.404 413 I HN 0.312 nan 8.210 nan 0.000 0.528 414 Q N 4.913 124.620 119.800 -0.155 0.000 2.307 414 Q HA 0.601 4.940 4.340 -0.002 0.000 0.262 414 Q C 0.513 176.511 176.000 -0.003 0.000 0.961 414 Q CA -0.674 54.949 55.803 -0.300 0.000 0.882 414 Q CB 1.826 30.192 28.738 -0.621 0.000 1.264 414 Q HN 0.789 nan 8.270 nan 0.000 0.446 415 G N 1.934 110.809 108.800 0.125 0.000 2.508 415 G HA2 0.203 4.162 3.960 -0.002 0.000 0.278 415 G HA3 0.203 4.162 3.960 -0.002 0.000 0.278 415 G C -1.886 173.053 174.900 0.065 0.000 1.389 415 G CA -1.095 44.090 45.100 0.141 0.000 1.050 415 G HN 0.393 nan 8.290 nan 0.000 0.522 416 P HA 0.045 nan 4.420 nan 0.000 0.229 416 P C 1.128 178.360 177.300 -0.113 0.000 1.160 416 P CA 0.715 63.706 63.100 -0.181 0.000 0.777 416 P CB 0.339 31.699 31.700 -0.566 0.000 0.814 417 N N -2.341 116.346 118.700 -0.022 0.000 2.294 417 N HA -0.002 4.736 4.740 -0.002 0.000 0.186 417 N C 0.367 175.876 175.510 -0.002 0.000 1.107 417 N CA -0.170 52.867 53.050 -0.021 0.000 0.884 417 N CB -0.155 38.335 38.487 0.004 0.000 1.030 417 N HN 0.149 nan 8.380 nan 0.000 0.482 418 Y N 2.505 122.767 120.300 -0.063 0.000 2.987 418 Y HA -0.072 4.476 4.550 -0.002 0.000 0.339 418 Y C -0.268 175.559 175.900 -0.122 0.000 1.272 418 Y CA 0.455 58.508 58.100 -0.078 0.000 1.562 418 Y CB 0.413 38.840 38.460 -0.055 0.000 1.253 418 Y HN -0.298 nan 8.280 nan 0.000 0.604 419 V N 9.115 128.456 119.914 -0.954 0.000 2.638 419 V HA 0.193 4.311 4.120 -0.002 0.000 0.306 419 V C -1.654 173.791 176.094 -1.083 0.000 1.052 419 V CA -1.669 60.161 62.300 -0.784 0.000 0.885 419 V CB 1.804 33.374 31.823 -0.422 0.000 0.999 419 V HN 0.677 nan 8.190 nan 0.000 0.424 420 P HA -0.253 nan 4.420 nan 0.000 0.221 420 P C 1.438 178.574 177.300 -0.273 0.000 1.160 420 P CA 2.367 65.233 63.100 -0.389 0.000 0.933 420 P CB 0.193 31.780 31.700 -0.188 0.000 0.793 421 G N -0.147 108.516 108.800 -0.228 0.000 2.662 421 G HA2 -0.117 3.842 3.960 -0.002 0.000 0.215 421 G HA3 -0.117 3.842 3.960 -0.002 0.000 0.215 421 G C 0.130 174.926 174.900 -0.173 0.000 1.310 421 G CA 0.200 45.213 45.100 -0.145 0.000 0.849 421 G HN 0.142 nan 8.290 nan 0.000 0.568 422 K N 0.906 121.189 120.400 -0.194 0.000 2.611 422 K HA -0.028 4.290 4.320 -0.002 0.000 0.280 422 K C -0.029 176.464 176.600 -0.179 0.000 0.964 422 K CA 0.464 56.648 56.287 -0.171 0.000 1.029 422 K CB 0.342 32.735 32.500 -0.179 0.000 0.862 422 K HN 0.216 nan 8.250 nan 0.000 0.501 423 K N 2.652 122.991 120.400 -0.103 0.000 3.000 423 K HA 0.101 4.419 4.320 -0.002 0.000 0.239 423 K C -0.454 176.105 176.600 -0.067 0.000 1.269 423 K CA -0.259 55.993 56.287 -0.058 0.000 1.220 423 K CB 0.116 32.584 32.500 -0.055 0.000 1.645 423 K HN 0.445 nan 8.250 nan 0.000 0.423 424 D N 0.732 121.098 120.400 -0.057 0.000 2.362 424 D HA 0.175 4.814 4.640 -0.002 0.000 0.247 424 D C 0.212 176.538 176.300 0.043 0.000 1.050 424 D CA -0.077 53.898 54.000 -0.042 0.000 0.839 424 D CB 1.017 41.786 40.800 -0.050 0.000 1.283 424 D HN 0.160 nan 8.370 nan 0.000 0.477 425 D N 0.847 121.240 120.400 -0.011 0.000 2.946 425 D HA -0.215 4.424 4.640 -0.002 0.000 0.202 425 D C 0.035 176.338 176.300 0.004 0.000 1.068 425 D CA 0.477 54.538 54.000 0.101 0.000 1.011 425 D CB -0.793 40.136 40.800 0.215 0.000 1.105 425 D HN 0.336 nan 8.370 nan 0.000 0.425 426 L N 0.280 121.402 121.223 -0.168 0.000 2.350 426 L HA 0.525 4.863 4.340 -0.002 0.000 0.275 426 L C -0.737 175.752 176.870 -0.635 0.000 1.099 426 L CA 0.069 54.778 54.840 -0.217 0.000 0.808 426 L CB 0.516 42.580 42.059 0.009 0.000 1.149 426 L HN -0.081 nan 8.230 nan 0.000 0.442 427 F N 5.795 125.667 119.950 -0.130 0.000 2.671 427 F HA 0.369 4.895 4.527 -0.002 0.000 0.332 427 F C -0.159 175.509 175.800 -0.221 0.000 1.189 427 F CA -0.635 57.240 58.000 -0.208 0.000 0.988 427 F CB 1.271 40.097 39.000 -0.289 0.000 1.258 427 F HN 0.171 nan 8.300 nan 0.000 0.471 428 I N 3.834 124.364 120.570 -0.068 0.000 2.204 428 I HA 0.207 4.376 4.170 -0.002 0.000 0.285 428 I C 0.131 176.192 176.117 -0.093 0.000 1.112 428 I CA -0.143 61.115 61.300 -0.071 0.000 1.502 428 I CB -0.684 37.280 38.000 -0.060 0.000 1.499 428 I HN 0.447 nan 8.210 nan 0.000 0.661 429 K N 2.287 122.608 120.400 -0.132 0.000 2.450 429 K HA 0.846 5.165 4.320 -0.002 0.000 0.248 429 K C -0.183 176.390 176.600 -0.046 0.000 1.056 429 K CA -0.580 55.624 56.287 -0.138 0.000 0.974 429 K CB 1.189 33.495 32.500 -0.324 0.000 1.334 429 K HN 0.349 nan 8.250 nan 0.000 0.516 430 A N 0.562 123.380 122.820 -0.004 0.000 2.374 430 A HA 0.578 4.897 4.320 -0.002 0.000 0.317 430 A C -0.871 176.735 177.584 0.036 0.000 1.094 430 A CA -0.700 51.345 52.037 0.014 0.000 0.765 430 A CB 0.473 19.479 19.000 0.010 0.000 1.268 430 A HN 0.495 nan 8.150 nan 0.000 0.438 431 I N 2.703 123.284 120.570 0.019 0.000 2.436 431 I HA 0.015 4.184 4.170 -0.002 0.000 0.289 431 I C 1.406 177.521 176.117 -0.003 0.000 1.083 431 I CA 0.581 61.886 61.300 0.009 0.000 1.372 431 I CB 0.275 38.271 38.000 -0.008 0.000 1.408 431 I HN 0.911 nan 8.210 nan 0.000 0.516 432 Q N 4.265 124.060 119.800 -0.009 0.000 1.975 432 Q HA -0.114 4.224 4.340 -0.002 0.000 0.205 432 Q C 0.597 176.572 176.000 -0.041 0.000 0.990 432 Q CA 1.677 57.467 55.803 -0.022 0.000 0.845 432 Q CB 0.252 28.970 28.738 -0.033 0.000 0.913 432 Q HN 0.475 nan 8.270 nan 0.000 0.420 433 R N -1.104 119.351 120.500 -0.075 0.000 2.740 433 R HA 0.438 4.777 4.340 -0.002 0.000 0.273 433 R C -1.949 174.295 176.300 -0.094 0.000 0.998 433 R CA -0.416 55.637 56.100 -0.077 0.000 0.900 433 R CB 2.175 32.423 30.300 -0.087 0.000 1.223 433 R HN -0.081 nan 8.270 nan 0.000 0.466 434 V N 4.340 124.215 119.914 -0.065 0.000 2.398 434 V HA 0.641 4.760 4.120 -0.002 0.000 0.286 434 V C -0.415 175.653 176.094 -0.045 0.000 1.026 434 V CA -0.407 61.859 62.300 -0.058 0.000 0.868 434 V CB 1.477 33.276 31.823 -0.040 0.000 0.982 434 V HN 0.634 nan 8.190 nan 0.000 0.443 435 V N 3.401 123.292 119.914 -0.038 0.000 3.160 435 V HA 0.672 4.790 4.120 -0.002 0.000 0.310 435 V C -0.788 175.326 176.094 0.033 0.000 1.181 435 V CA -1.119 61.182 62.300 0.003 0.000 1.047 435 V CB 2.290 34.124 31.823 0.018 0.000 1.068 435 V HN 0.578 nan 8.190 nan 0.000 0.441 436 L N 2.248 123.507 121.223 0.059 0.000 2.307 436 L HA 0.549 4.888 4.340 -0.002 0.000 0.282 436 L C -0.224 176.718 176.870 0.119 0.000 1.051 436 L CA -0.513 54.374 54.840 0.078 0.000 0.804 436 L CB 1.599 43.701 42.059 0.072 0.000 1.197 436 L HN 0.539 nan 8.230 nan 0.000 0.431 437 M N 5.083 124.768 119.600 0.141 0.000 2.754 437 M HA 0.300 4.779 4.480 -0.002 0.000 0.327 437 M C -0.459 175.919 176.300 0.130 0.000 1.288 437 M CA 0.016 55.415 55.300 0.166 0.000 1.324 437 M CB 0.728 33.484 32.600 0.260 0.000 1.169 437 M HN 0.530 nan 8.290 nan 0.000 0.494 438 M N 2.053 121.724 119.600 0.119 0.000 3.396 438 M HA 0.282 4.761 4.480 -0.002 0.000 0.255 438 M C 1.154 177.488 176.300 0.057 0.000 1.398 438 M CA 0.061 55.424 55.300 0.106 0.000 1.554 438 M CB -0.756 31.930 32.600 0.144 0.000 1.070 438 M HN 0.901 nan 8.290 nan 0.000 0.587 439 G N 2.900 111.701 108.800 0.001 0.000 2.602 439 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.310 439 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.310 439 G C 0.814 175.599 174.900 -0.191 0.000 1.183 439 G CA 0.168 45.214 45.100 -0.090 0.000 0.979 439 G HN 0.647 nan 8.290 nan 0.000 0.545 440 R N 0.079 120.332 120.500 -0.412 0.000 2.313 440 R HA 0.322 4.660 4.340 -0.002 0.000 0.199 440 R C -0.001 175.849 176.300 -0.750 0.000 0.958 440 R CA 0.478 56.187 56.100 -0.653 0.000 1.047 440 R CB -0.025 29.712 30.300 -0.938 0.000 0.955 440 R HN 0.244 nan 8.270 nan 0.000 0.481 441 F N -0.642 119.307 119.950 -0.002 0.000 2.611 441 F HA 0.428 4.953 4.527 -0.003 0.000 0.324 441 F C 0.189 176.012 175.800 0.039 0.000 1.061 441 F CA -1.637 56.370 58.000 0.011 0.000 0.954 441 F CB 1.158 40.163 39.000 0.009 0.000 1.301 441 F HN -0.382 nan 8.300 nan 0.000 0.482 442 V N -0.865 119.213 119.914 0.274 0.000 3.074 442 V HA 0.919 5.038 4.120 -0.002 0.000 0.314 442 V C -1.388 174.793 176.094 0.144 0.000 1.117 442 V CA -0.913 61.504 62.300 0.195 0.000 1.014 442 V CB 1.963 33.921 31.823 0.225 0.000 1.057 442 V HN 0.716 nan 8.190 nan 0.000 0.438 443 E N 1.804 122.068 120.200 0.106 0.000 2.307 443 E HA 0.590 4.938 4.350 -0.002 0.000 0.280 443 E C -3.151 173.477 176.600 0.046 0.000 0.900 443 E CA -1.732 54.709 56.400 0.067 0.000 0.790 443 E CB 2.752 32.489 29.700 0.061 0.000 1.261 443 E HN 0.587 nan 8.360 nan 0.000 0.405 444 P HA 0.326 nan 4.420 nan 0.000 0.271 444 P C -0.604 176.700 177.300 0.006 0.000 1.216 444 P CA -0.039 63.067 63.100 0.010 0.000 0.776 444 P CB 0.423 32.126 31.700 0.004 0.000 0.881 445 I N -1.905 118.664 120.570 -0.002 0.000 3.191 445 I HA 0.467 4.635 4.170 -0.002 0.000 0.313 445 I C 0.114 176.225 176.117 -0.011 0.000 1.193 445 I CA -0.868 60.429 61.300 -0.004 0.000 0.968 445 I CB 2.137 40.136 38.000 -0.001 0.000 1.262 445 I HN 0.047 nan 8.210 nan 0.000 0.456 446 D N 1.151 121.544 120.400 -0.011 0.000 2.162 446 D HA -0.003 4.635 4.640 -0.002 0.000 0.203 446 D C -0.179 176.112 176.300 -0.016 0.000 0.967 446 D CA 1.850 55.842 54.000 -0.014 0.000 0.840 446 D CB 0.264 41.056 40.800 -0.013 0.000 0.972 446 D HN 0.845 nan 8.370 nan 0.000 0.482 447 D N -2.331 118.059 120.400 -0.016 0.000 2.779 447 D HA 0.293 4.931 4.640 -0.002 0.000 0.331 447 D C -1.395 174.893 176.300 -0.021 0.000 1.331 447 D CA -0.873 53.116 54.000 -0.019 0.000 0.866 447 D CB 1.725 42.515 40.800 -0.017 0.000 1.409 447 D HN -0.035 nan 8.370 nan 0.000 0.486 448 C N 1.356 120.641 119.300 -0.025 0.000 2.924 448 C HA 0.588 5.047 4.460 -0.002 0.000 0.400 448 C C -2.803 172.167 174.990 -0.032 0.000 1.032 448 C CA -0.715 58.285 59.018 -0.030 0.000 1.236 448 C CB 0.979 28.695 27.740 -0.041 0.000 1.660 448 C HN 0.580 nan 8.230 nan 0.000 0.510 449 P HA 0.374 nan 4.420 nan 0.000 0.277 449 P C -0.140 177.139 177.300 -0.035 0.000 1.271 449 P CA 0.106 63.190 63.100 -0.025 0.000 0.795 449 P CB 0.763 32.451 31.700 -0.020 0.000 1.101 450 A N -0.239 122.566 122.820 -0.025 0.000 2.507 450 A HA 0.386 4.705 4.320 -0.002 0.000 0.235 450 A C 1.423 178.978 177.584 -0.048 0.000 1.070 450 A CA 0.978 52.997 52.037 -0.030 0.000 0.768 450 A CB -1.625 17.377 19.000 0.002 0.000 1.011 450 A HN 0.915 nan 8.150 nan 0.000 0.502 451 G N 1.161 109.905 108.800 -0.093 0.000 2.176 451 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.232 451 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.232 451 G C 0.020 174.852 174.900 -0.114 0.000 0.986 451 G CA 0.448 45.492 45.100 -0.095 0.000 0.643 451 G HN 0.961 nan 8.290 nan 0.000 0.522 452 N N -0.465 118.155 118.700 -0.134 0.000 2.592 452 N HA 0.781 5.520 4.740 -0.002 0.000 0.292 452 N C -0.363 175.041 175.510 -0.177 0.000 1.260 452 N CA -0.702 52.280 53.050 -0.114 0.000 0.910 452 N CB 0.851 39.298 38.487 -0.067 0.000 1.257 452 N HN 0.023 nan 8.380 nan 0.000 0.569 453 I N 1.785 122.274 120.570 -0.135 0.000 2.378 453 I HA 0.500 4.669 4.170 -0.002 0.000 0.291 453 I C -0.193 175.829 176.117 -0.158 0.000 0.992 453 I CA -0.401 60.778 61.300 -0.202 0.000 1.154 453 I CB 0.184 38.126 38.000 -0.096 0.000 1.315 453 I HN 0.537 nan 8.210 nan 0.000 0.448 454 I N 2.155 122.580 120.570 -0.241 0.000 3.279 454 I HA 0.893 5.061 4.170 -0.002 0.000 0.315 454 I C -0.169 175.863 176.117 -0.141 0.000 1.225 454 I CA -0.990 60.233 61.300 -0.128 0.000 0.947 454 I CB 2.233 40.176 38.000 -0.096 0.000 1.293 454 I HN 0.485 nan 8.210 nan 0.000 0.468 455 G N 1.500 110.288 108.800 -0.021 0.000 2.511 455 G HA2 0.806 4.765 3.960 -0.002 0.000 0.318 455 G HA3 0.806 4.765 3.960 -0.002 0.000 0.318 455 G C -1.454 173.431 174.900 -0.025 0.000 1.210 455 G CA -0.883 44.239 45.100 0.036 0.000 0.969 455 G HN 0.544 nan 8.290 nan 0.000 0.484 456 L N 0.775 121.978 121.223 -0.034 0.000 2.438 456 L HA 0.498 4.837 4.340 -0.002 0.000 0.270 456 L C -0.547 176.194 176.870 -0.215 0.000 0.972 456 L CA -1.126 53.653 54.840 -0.102 0.000 0.831 456 L CB 2.220 44.246 42.059 -0.055 0.000 1.273 456 L HN 0.401 nan 8.230 nan 0.000 0.405 457 V N 3.010 122.704 119.914 -0.368 0.000 2.370 457 V HA 0.820 4.939 4.120 -0.002 0.000 0.279 457 V C 0.682 176.643 176.094 -0.222 0.000 1.029 457 V CA 0.941 62.904 62.300 -0.563 0.000 0.870 457 V CB 0.957 32.266 31.823 -0.857 0.000 0.984 457 V HN 0.982 nan 8.190 nan 0.000 0.451 458 G N 5.089 113.820 108.800 -0.116 0.000 2.164 458 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.154 458 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.154 458 G C 0.321 175.217 174.900 -0.005 0.000 1.014 458 G CA 0.171 45.249 45.100 -0.037 0.000 0.683 458 G HN 0.763 nan 8.290 nan 0.000 0.500 459 I N 0.241 120.800 120.570 -0.018 0.000 3.854 459 I HA 0.118 4.287 4.170 -0.002 0.000 0.312 459 I C 2.103 178.113 176.117 -0.178 0.000 1.273 459 I CA 0.512 61.809 61.300 -0.004 0.000 1.298 459 I CB -0.092 37.928 38.000 0.033 0.000 1.071 459 I HN 0.072 nan 8.210 nan 0.000 0.428 460 D N 1.991 122.312 120.400 -0.132 0.000 2.559 460 D HA -0.380 4.259 4.640 -0.002 0.000 0.538 460 D C 2.003 178.104 176.300 -0.331 0.000 0.913 460 D CA 2.772 56.678 54.000 -0.156 0.000 1.524 460 D CB -0.405 40.329 40.800 -0.109 0.000 0.811 460 D HN 0.487 nan 8.370 nan 0.000 0.420 461 Q N -0.576 118.892 119.800 -0.553 0.000 2.364 461 Q HA -0.158 4.181 4.340 -0.002 0.000 0.209 461 Q C 1.575 177.138 176.000 -0.728 0.000 0.977 461 Q CA 1.198 56.603 55.803 -0.662 0.000 0.885 461 Q CB -0.230 28.049 28.738 -0.765 0.000 0.941 461 Q HN 0.439 nan 8.270 nan 0.000 0.464 462 F N 0.056 119.790 119.950 -0.361 0.000 2.622 462 F HA 0.316 4.841 4.527 -0.002 0.000 0.288 462 F C 0.519 176.013 175.800 -0.509 0.000 1.120 462 F CA -0.473 57.088 58.000 -0.732 0.000 1.423 462 F CB 0.354 38.891 39.000 -0.772 0.000 1.127 462 F HN -0.027 nan 8.300 nan 0.000 0.588 463 L N 0.424 121.565 121.223 -0.137 0.000 2.342 463 L HA 0.405 4.744 4.340 -0.002 0.000 0.276 463 L C 0.503 177.337 176.870 -0.060 0.000 0.997 463 L CA -0.206 54.608 54.840 -0.042 0.000 0.838 463 L CB 1.218 43.276 42.059 -0.001 0.000 1.224 463 L HN 0.006 nan 8.230 nan 0.000 0.416 464 L N 3.030 124.248 121.223 -0.010 0.000 2.005 464 L HA -0.046 4.293 4.340 -0.002 0.000 0.207 464 L C 1.142 177.994 176.870 -0.030 0.000 1.072 464 L CA 1.492 56.298 54.840 -0.057 0.000 0.744 464 L CB -0.287 41.751 42.059 -0.035 0.000 0.895 464 L HN 0.645 nan 8.230 nan 0.000 0.433 465 K N -1.483 118.972 120.400 0.093 0.000 2.366 465 K HA 0.234 4.553 4.320 -0.002 0.000 0.312 465 K C 0.065 176.699 176.600 0.057 0.000 0.967 465 K CA -0.110 56.225 56.287 0.079 0.000 0.868 465 K CB -0.033 32.558 32.500 0.151 0.000 3.506 465 K HN -0.006 nan 8.250 nan 0.000 1.211 466 T N -0.165 114.419 114.554 0.051 0.000 2.908 466 T HA 0.416 4.764 4.350 -0.002 0.000 0.325 466 T C 0.473 175.184 174.700 0.018 0.000 1.092 466 T CA -0.001 62.102 62.100 0.004 0.000 1.125 466 T CB 0.646 69.543 68.868 0.050 0.000 1.016 466 T HN 0.658 nan 8.240 nan 0.000 0.550 467 G N 0.284 109.106 108.800 0.037 0.000 2.368 467 G HA2 0.510 4.469 3.960 -0.002 0.000 0.293 467 G HA3 0.510 4.469 3.960 -0.002 0.000 0.293 467 G C -1.233 173.748 174.900 0.135 0.000 1.467 467 G CA -0.952 44.192 45.100 0.073 0.000 0.804 467 G HN 0.832 nan 8.290 nan 0.000 0.535 468 T N 0.432 115.055 114.554 0.115 0.000 2.841 468 T HA 0.630 4.979 4.350 -0.002 0.000 0.283 468 T C -0.834 173.899 174.700 0.056 0.000 1.000 468 T CA -0.399 61.783 62.100 0.136 0.000 0.977 468 T CB 1.611 70.552 68.868 0.121 0.000 0.979 468 T HN 0.348 nan 8.240 nan 0.000 0.446 469 L N 3.586 124.852 121.223 0.070 0.000 2.307 469 L HA 0.708 5.047 4.340 -0.002 0.000 0.284 469 L C 0.711 177.604 176.870 0.038 0.000 1.023 469 L CA -0.179 54.679 54.840 0.030 0.000 0.810 469 L CB 1.694 43.772 42.059 0.030 0.000 1.231 469 L HN 0.924 nan 8.230 nan 0.000 0.423 470 T N -2.189 112.369 114.554 0.006 0.000 2.887 470 T HA 0.466 4.815 4.350 -0.002 0.000 0.292 470 T C 0.199 174.905 174.700 0.011 0.000 1.087 470 T CA -0.396 61.718 62.100 0.022 0.000 1.009 470 T CB 1.830 70.712 68.868 0.024 0.000 1.203 470 T HN 0.345 nan 8.240 nan 0.000 0.518 471 T N 0.104 114.672 114.554 0.022 0.000 3.058 471 T HA 0.386 4.735 4.350 -0.002 0.000 0.278 471 T C 0.172 174.885 174.700 0.021 0.000 0.974 471 T CA -0.086 62.023 62.100 0.014 0.000 0.893 471 T CB -0.109 68.767 68.868 0.013 0.000 1.138 471 T HN 0.743 nan 8.240 nan 0.000 0.529 472 S N 0.469 116.190 115.700 0.035 0.000 2.454 472 S HA 0.399 4.867 4.470 -0.002 0.000 0.306 472 S C 0.781 175.416 174.600 0.059 0.000 1.100 472 S CA -0.519 57.709 58.200 0.045 0.000 1.087 472 S CB 1.456 64.690 63.200 0.058 0.000 1.019 472 S HN 0.379 nan 8.310 nan 0.000 0.480 473 E N 2.233 122.466 120.200 0.055 0.000 2.285 473 E HA -0.002 4.346 4.350 -0.002 0.000 0.194 473 E C 0.250 176.907 176.600 0.096 0.000 0.997 473 E CA 0.703 57.144 56.400 0.068 0.000 0.845 473 E CB 0.176 29.905 29.700 0.047 0.000 0.782 473 E HN 0.579 nan 8.360 nan 0.000 0.491 474 T N 1.132 115.742 114.554 0.094 0.000 3.240 474 T HA 0.405 4.753 4.350 -0.002 0.000 0.248 474 T C -0.275 174.527 174.700 0.169 0.000 0.929 474 T CA -0.229 61.940 62.100 0.115 0.000 0.939 474 T CB 0.347 69.267 68.868 0.086 0.000 1.114 474 T HN 0.055 nan 8.240 nan 0.000 0.558 475 A N 0.939 123.874 122.820 0.192 0.000 2.324 475 A HA 0.713 5.032 4.320 -0.002 0.000 0.330 475 A C -0.564 177.199 177.584 0.298 0.000 1.165 475 A CA -0.587 51.602 52.037 0.253 0.000 0.813 475 A CB 0.690 19.801 19.000 0.184 0.000 1.197 475 A HN 0.528 nan 8.150 nan 0.000 0.484 476 H N 0.802 119.983 119.070 0.186 0.000 2.508 476 H HA 0.373 4.928 4.556 -0.002 0.000 0.344 476 H C 0.181 175.482 175.328 -0.046 0.000 1.192 476 H CA -0.165 55.862 56.048 -0.034 0.000 1.290 476 H CB 0.852 30.357 29.762 -0.429 0.000 1.571 476 H HN 0.692 nan 8.280 nan 0.000 0.555 477 N N 1.263 119.916 118.700 -0.078 0.000 2.515 477 N HA 0.149 4.888 4.740 -0.002 0.000 0.279 477 N C -0.631 174.814 175.510 -0.109 0.000 1.164 477 N CA -0.144 52.889 53.050 -0.028 0.000 0.982 477 N CB 0.846 39.330 38.487 -0.005 0.000 1.170 477 N HN 0.453 nan 8.380 nan 0.000 0.474 478 M N 1.461 121.032 119.600 -0.048 0.000 2.233 478 M HA 0.138 4.617 4.480 -0.002 0.000 0.355 478 M C 0.383 176.583 176.300 -0.167 0.000 1.191 478 M CA -0.678 54.545 55.300 -0.129 0.000 1.101 478 M CB 0.775 33.273 32.600 -0.171 0.000 1.592 478 M HN 0.302 nan 8.290 nan 0.000 0.461 479 K N 2.534 122.817 120.400 -0.195 0.000 2.447 479 K HA -0.103 4.216 4.320 -0.002 0.000 0.240 479 K C -0.837 175.705 176.600 -0.096 0.000 1.205 479 K CA 0.201 56.396 56.287 -0.153 0.000 1.202 479 K CB -0.730 31.662 32.500 -0.179 0.000 0.801 479 K HN 0.503 nan 8.250 nan 0.000 0.531 480 V N 1.823 121.699 119.914 -0.063 0.000 2.973 480 V HA 0.674 4.792 4.120 -0.002 0.000 0.314 480 V C 0.009 176.071 176.094 -0.052 0.000 1.066 480 V CA -1.097 61.178 62.300 -0.042 0.000 1.021 480 V CB 1.696 33.475 31.823 -0.074 0.000 1.076 480 V HN 0.670 nan 8.190 nan 0.000 0.462 481 M N 2.821 122.369 119.600 -0.087 0.000 2.268 481 M HA 0.573 5.052 4.480 -0.002 0.000 0.344 481 M C -0.369 175.778 176.300 -0.254 0.000 1.106 481 M CA -0.470 54.779 55.300 -0.085 0.000 1.010 481 M CB 0.975 33.560 32.600 -0.024 0.000 1.649 481 M HN 0.803 nan 8.290 nan 0.000 0.443 482 K N 3.847 124.162 120.400 -0.142 0.000 2.237 482 K HA 0.486 4.804 4.320 -0.002 0.000 0.270 482 K C -0.960 175.280 176.600 -0.600 0.000 1.015 482 K CA 0.154 56.215 56.287 -0.378 0.000 0.949 482 K CB 0.658 32.987 32.500 -0.286 0.000 0.976 482 K HN 0.566 nan 8.250 nan 0.000 0.472 483 F N -0.350 119.184 119.950 -0.692 0.000 2.525 483 F HA 0.347 4.873 4.527 -0.002 0.000 0.346 483 F C 0.600 175.959 175.800 -0.735 0.000 1.072 483 F CA -1.138 56.523 58.000 -0.565 0.000 1.033 483 F CB 1.904 40.754 39.000 -0.250 0.000 1.324 483 F HN 0.488 nan 8.300 nan 0.000 0.491 484 S N 0.465 116.123 115.700 -0.071 0.000 2.498 484 S HA 0.488 4.957 4.470 -0.002 0.000 0.317 484 S C -0.425 174.154 174.600 -0.035 0.000 1.090 484 S CA -0.504 57.699 58.200 0.005 0.000 1.089 484 S CB 1.347 64.642 63.200 0.158 0.000 0.997 484 S HN 0.592 nan 8.310 nan 0.000 0.470 485 V N 0.429 120.333 119.914 -0.017 0.000 3.337 485 V HA 0.453 4.572 4.120 -0.002 0.000 0.307 485 V C 0.213 176.309 176.094 0.003 0.000 1.505 485 V CA -0.279 62.006 62.300 -0.026 0.000 1.072 485 V CB -0.283 31.534 31.823 -0.010 0.000 0.929 485 V HN 0.651 nan 8.190 nan 0.000 0.455 486 S N 2.268 117.981 115.700 0.023 0.000 2.617 486 S HA 0.684 5.153 4.470 -0.002 0.000 0.283 486 S C -2.593 172.037 174.600 0.049 0.000 1.189 486 S CA -0.796 57.425 58.200 0.034 0.000 1.036 486 S CB 1.498 64.717 63.200 0.032 0.000 1.014 486 S HN 0.280 nan 8.310 nan 0.000 0.522 487 P HA 0.239 nan 4.420 nan 0.000 0.279 487 P C 0.311 177.643 177.300 0.054 0.000 1.239 487 P CA -0.338 62.810 63.100 0.081 0.000 0.789 487 P CB 0.819 32.580 31.700 0.101 0.000 0.933 488 V N 0.018 119.957 119.914 0.042 0.000 3.119 488 V HA 0.140 4.259 4.120 -0.002 0.000 0.245 488 V C 0.291 176.379 176.094 -0.010 0.000 1.598 488 V CA 0.086 62.384 62.300 -0.003 0.000 1.116 488 V CB -0.122 31.693 31.823 -0.014 0.000 0.981 488 V HN 0.082 nan 8.190 nan 0.000 0.430 489 V N 4.728 124.640 119.914 -0.003 0.000 2.405 489 V HA 0.556 4.674 4.120 -0.002 0.000 0.264 489 V C -0.102 175.979 176.094 -0.022 0.000 1.048 489 V CA 0.329 62.603 62.300 -0.043 0.000 0.966 489 V CB 0.121 31.914 31.823 -0.050 0.000 1.015 489 V HN 0.856 nan 8.190 nan 0.000 0.477 490 Q N 4.698 124.494 119.800 -0.006 0.000 2.456 490 Q HA 0.906 5.245 4.340 -0.002 0.000 0.284 490 Q C -1.345 174.723 176.000 0.112 0.000 1.061 490 Q CA -0.947 54.882 55.803 0.043 0.000 0.799 490 Q CB 2.917 31.707 28.738 0.088 0.000 1.445 490 Q HN 0.504 nan 8.270 nan 0.000 0.411 491 V N -3.195 116.781 119.914 0.104 0.000 3.206 491 V HA 0.957 5.076 4.120 -0.002 0.000 0.305 491 V C -1.000 175.130 176.094 0.060 0.000 1.257 491 V CA -0.787 61.618 62.300 0.174 0.000 1.057 491 V CB 1.403 33.342 31.823 0.194 0.000 1.075 491 V HN 1.060 nan 8.190 nan 0.000 0.443 492 A N 1.231 124.082 122.820 0.051 0.000 2.289 492 A HA 0.799 5.118 4.320 -0.002 0.000 0.298 492 A C -0.329 177.264 177.584 0.014 0.000 1.208 492 A CA -0.519 51.522 52.037 0.007 0.000 0.845 492 A CB 0.636 19.636 19.000 -0.000 0.000 1.125 492 A HN 1.463 nan 8.150 nan 0.000 0.517 493 V N 2.398 122.322 119.914 0.017 0.000 2.435 493 V HA 0.644 4.763 4.120 -0.002 0.000 0.290 493 V C 0.061 176.182 176.094 0.045 0.000 1.030 493 V CA -0.497 61.815 62.300 0.020 0.000 0.881 493 V CB 1.198 33.021 31.823 -0.001 0.000 0.983 493 V HN 1.013 nan 8.190 nan 0.000 0.445 494 E N 2.589 122.805 120.200 0.027 0.000 2.366 494 E HA 0.612 4.961 4.350 -0.002 0.000 0.278 494 E C -1.172 175.436 176.600 0.013 0.000 0.923 494 E CA -0.816 55.606 56.400 0.038 0.000 0.761 494 E CB 2.713 32.432 29.700 0.032 0.000 1.231 494 E HN 0.662 nan 8.360 nan 0.000 0.443 495 V N 1.489 121.412 119.914 0.016 0.000 2.649 495 V HA 0.309 4.428 4.120 -0.002 0.000 0.292 495 V C 0.877 176.972 176.094 0.000 0.000 1.055 495 V CA -0.184 62.116 62.300 -0.000 0.000 1.023 495 V CB 1.469 33.291 31.823 -0.001 0.000 0.992 495 V HN 0.812 nan 8.190 nan 0.000 0.480 496 K N 1.991 122.386 120.400 -0.008 0.000 2.076 496 K HA 0.033 4.351 4.320 -0.002 0.000 0.204 496 K C 0.979 177.577 176.600 -0.003 0.000 1.051 496 K CA 1.004 57.288 56.287 -0.006 0.000 0.949 496 K CB 0.033 32.527 32.500 -0.011 0.000 0.726 496 K HN 0.829 nan 8.250 nan 0.000 0.443 497 N N 0.141 118.839 118.700 -0.004 0.000 2.444 497 N HA 0.123 4.862 4.740 -0.002 0.000 0.262 497 N C 0.249 175.761 175.510 0.002 0.000 0.974 497 N CA 0.021 53.071 53.050 -0.001 0.000 0.933 497 N CB 1.705 40.191 38.487 -0.002 0.000 1.137 497 N HN 0.064 nan 8.380 nan 0.000 0.498 498 A N 4.200 127.024 122.820 0.006 0.000 2.009 498 A HA -0.230 4.089 4.320 -0.002 0.000 0.222 498 A C 1.564 179.154 177.584 0.009 0.000 1.175 498 A CA 1.444 53.487 52.037 0.011 0.000 0.651 498 A CB -0.283 18.724 19.000 0.011 0.000 0.815 498 A HN 0.764 nan 8.150 nan 0.000 0.459 499 N N 0.235 118.939 118.700 0.006 0.000 2.550 499 N HA -0.059 4.680 4.740 -0.002 0.000 0.186 499 N C 0.373 175.884 175.510 0.002 0.000 1.110 499 N CA 0.961 54.014 53.050 0.004 0.000 0.912 499 N CB -0.145 38.343 38.487 0.003 0.000 0.968 499 N HN 0.498 nan 8.380 nan 0.000 0.448 500 D N 0.393 120.792 120.400 -0.001 0.000 2.350 500 D HA 0.029 4.667 4.640 -0.002 0.000 0.213 500 D C 1.973 178.267 176.300 -0.009 0.000 1.031 500 D CA -0.245 53.751 54.000 -0.006 0.000 0.861 500 D CB 0.459 41.252 40.800 -0.011 0.000 0.926 500 D HN 0.175 nan 8.370 nan 0.000 0.520 501 L N 1.412 122.635 121.223 0.000 0.000 2.058 501 L HA -0.219 4.119 4.340 -0.002 0.000 0.226 501 L C -0.746 176.117 176.870 -0.011 0.000 1.089 501 L CA 2.266 57.109 54.840 0.005 0.000 0.799 501 L CB -1.366 40.710 42.059 0.028 0.000 0.900 501 L HN 0.018 nan 8.230 nan 0.000 0.442 502 P HA -0.201 nan 4.420 nan 0.000 0.217 502 P C 1.132 178.419 177.300 -0.020 0.000 1.148 502 P CA 1.767 64.862 63.100 -0.008 0.000 0.834 502 P CB 0.004 31.703 31.700 -0.001 0.000 0.783 503 K N -1.460 118.928 120.400 -0.021 0.000 2.186 503 K HA -0.015 4.304 4.320 -0.002 0.000 0.202 503 K C 1.894 178.469 176.600 -0.042 0.000 1.052 503 K CA 0.532 56.805 56.287 -0.023 0.000 0.965 503 K CB -0.643 31.849 32.500 -0.015 0.000 0.746 503 K HN 0.066 nan 8.250 nan 0.000 0.457 504 L N 1.116 122.301 121.223 -0.065 0.000 2.027 504 L HA -0.124 4.214 4.340 -0.002 0.000 0.206 504 L C 1.950 178.719 176.870 -0.169 0.000 1.074 504 L CA 1.541 56.316 54.840 -0.108 0.000 0.745 504 L CB -0.366 41.619 42.059 -0.122 0.000 0.898 504 L HN -0.127 nan 8.230 nan 0.000 0.433 505 V N -0.034 119.771 119.914 -0.183 0.000 2.295 505 V HA -0.261 3.857 4.120 -0.002 0.000 0.246 505 V C 2.673 178.706 176.094 -0.102 0.000 1.049 505 V CA 1.790 63.976 62.300 -0.191 0.000 1.024 505 V CB -0.709 31.054 31.823 -0.101 0.000 0.648 505 V HN 0.566 nan 8.190 nan 0.000 0.447 506 E N 1.244 121.408 120.200 -0.060 0.000 2.070 506 E HA -0.200 4.149 4.350 -0.002 0.000 0.197 506 E C 2.093 178.676 176.600 -0.029 0.000 1.004 506 E CA 1.947 58.329 56.400 -0.031 0.000 0.805 506 E CB -0.857 28.834 29.700 -0.014 0.000 0.744 506 E HN 0.495 nan 8.360 nan 0.000 0.451 507 G N -0.484 108.296 108.800 -0.033 0.000 2.712 507 G HA2 -0.068 3.890 3.960 -0.002 0.000 0.212 507 G HA3 -0.068 3.890 3.960 -0.002 0.000 0.212 507 G C 1.435 176.286 174.900 -0.081 0.000 1.142 507 G CA 0.303 45.397 45.100 -0.011 0.000 0.789 507 G HN 0.284 nan 8.290 nan 0.000 0.535 508 L N 0.396 121.553 121.223 -0.111 0.000 2.240 508 L HA 0.050 4.389 4.340 -0.002 0.000 0.211 508 L C 2.895 179.696 176.870 -0.115 0.000 1.106 508 L CA 1.196 55.956 54.840 -0.133 0.000 0.793 508 L CB -0.034 41.935 42.059 -0.150 0.000 0.927 508 L HN 0.336 nan 8.230 nan 0.000 0.446 509 K N -0.294 120.056 120.400 -0.083 0.000 2.243 509 K HA -0.045 4.274 4.320 -0.002 0.000 0.201 509 K C 2.003 178.560 176.600 -0.073 0.000 1.051 509 K CA 0.377 56.631 56.287 -0.056 0.000 0.970 509 K CB -0.064 32.420 32.500 -0.026 0.000 0.755 509 K HN 0.185 nan 8.250 nan 0.000 0.465 510 R N 0.693 121.138 120.500 -0.092 0.000 2.073 510 R HA -0.044 4.294 4.340 -0.002 0.000 0.229 510 R C 2.393 178.511 176.300 -0.305 0.000 1.120 510 R CA 1.071 57.123 56.100 -0.080 0.000 0.967 510 R CB -0.596 29.739 30.300 0.057 0.000 0.862 510 R HN 0.151 nan 8.270 nan 0.000 0.436 511 L N 1.002 121.830 121.223 -0.658 0.000 1.970 511 L HA -0.173 4.166 4.340 -0.002 0.000 0.212 511 L C 2.160 178.858 176.870 -0.288 0.000 1.071 511 L CA 1.918 56.241 54.840 -0.861 0.000 0.751 511 L CB -0.717 41.003 42.059 -0.566 0.000 0.889 511 L HN -0.016 nan 8.230 nan 0.000 0.432 512 S N -0.573 115.028 115.700 -0.166 0.000 2.365 512 S HA -0.275 4.193 4.470 -0.002 0.000 0.225 512 S C 2.006 176.591 174.600 -0.025 0.000 1.039 512 S CA 1.776 59.941 58.200 -0.058 0.000 1.033 512 S CB -0.411 62.771 63.200 -0.030 0.000 0.887 512 S HN 0.373 nan 8.310 nan 0.000 0.447 513 K N 1.485 121.867 120.400 -0.030 0.000 2.209 513 K HA -0.045 4.274 4.320 -0.002 0.000 0.204 513 K C 2.172 178.787 176.600 0.025 0.000 1.048 513 K CA 1.535 57.824 56.287 0.004 0.000 0.940 513 K CB -0.245 32.259 32.500 0.008 0.000 0.729 513 K HN 0.475 nan 8.250 nan 0.000 0.451 514 S N -1.221 114.496 115.700 0.028 0.000 2.427 514 S HA 0.027 4.496 4.470 -0.002 0.000 0.224 514 S C 0.557 175.200 174.600 0.070 0.000 1.047 514 S CA 0.015 58.258 58.200 0.071 0.000 0.953 514 S CB -0.079 63.206 63.200 0.141 0.000 0.824 514 S HN 0.167 nan 8.310 nan 0.000 0.502 515 D N 3.112 123.550 120.400 0.064 0.000 2.456 515 D HA 0.421 5.060 4.640 -0.002 0.000 0.219 515 D C -2.187 174.156 176.300 0.072 0.000 1.126 515 D CA -2.439 51.613 54.000 0.086 0.000 0.890 515 D CB 1.515 42.397 40.800 0.137 0.000 1.025 515 D HN 0.040 nan 8.370 nan 0.000 0.511 516 P HA -0.013 nan 4.420 nan 0.000 0.231 516 P C 0.631 177.961 177.300 0.050 0.000 1.158 516 P CA 0.562 63.691 63.100 0.047 0.000 0.763 516 P CB 0.298 32.023 31.700 0.042 0.000 0.805 517 C N -1.706 117.630 119.300 0.060 0.000 2.884 517 C HA 0.352 4.811 4.460 -0.002 0.000 0.287 517 C C 0.970 176.101 174.990 0.236 0.000 1.310 517 C CA -0.279 58.777 59.018 0.063 0.000 1.725 517 C CB -0.832 26.842 27.740 -0.110 0.000 2.060 517 C HN 0.067 nan 8.230 nan 0.000 0.618 518 V N 1.208 121.241 119.914 0.198 0.000 2.975 518 V HA 0.812 4.931 4.120 -0.002 0.000 0.318 518 V C -1.159 174.991 176.094 0.093 0.000 1.077 518 V CA -0.525 61.866 62.300 0.151 0.000 1.000 518 V CB 2.065 33.928 31.823 0.067 0.000 1.066 518 V HN 0.202 nan 8.190 nan 0.000 0.452 519 L N 3.531 124.802 121.223 0.080 0.000 2.482 519 L HA 0.841 5.179 4.340 -0.002 0.000 0.263 519 L C -0.572 176.373 176.870 0.125 0.000 0.957 519 L CA 0.231 55.141 54.840 0.117 0.000 0.836 519 L CB 2.445 44.601 42.059 0.161 0.000 1.324 519 L HN 0.898 nan 8.230 nan 0.000 0.406 520 T N 1.364 116.005 114.554 0.145 0.000 2.886 520 T HA 0.844 5.192 4.350 -0.002 0.000 0.292 520 T C -0.858 173.980 174.700 0.229 0.000 1.012 520 T CA -0.493 61.667 62.100 0.100 0.000 0.982 520 T CB 1.518 70.406 68.868 0.033 0.000 1.018 520 T HN 0.793 nan 8.240 nan 0.000 0.451 521 Y N 0.128 120.464 120.300 0.060 0.000 2.788 521 Y HA 0.764 5.312 4.550 -0.002 0.000 0.335 521 Y C -1.418 174.514 175.900 0.053 0.000 1.287 521 Y CA -1.848 56.285 58.100 0.054 0.000 1.068 521 Y CB 1.395 39.876 38.460 0.035 0.000 1.340 521 Y HN 0.789 nan 8.280 nan 0.000 0.449 522 M N 3.193 122.942 119.600 0.249 0.000 2.238 522 M HA 0.541 5.020 4.480 -0.002 0.000 0.350 522 M C -0.235 176.161 176.300 0.161 0.000 1.138 522 M CA -0.298 55.043 55.300 0.068 0.000 1.040 522 M CB 1.292 33.903 32.600 0.017 0.000 1.639 522 M HN 0.817 nan 8.290 nan 0.000 0.451 523 S N 2.462 118.179 115.700 0.029 0.000 2.603 523 S HA 0.197 4.666 4.470 -0.002 0.000 0.268 523 S C 0.883 175.505 174.600 0.036 0.000 1.317 523 S CA -0.289 57.962 58.200 0.085 0.000 1.012 523 S CB 1.083 64.291 63.200 0.014 0.000 0.926 523 S HN 0.865 nan 8.310 nan 0.000 0.539 524 E N 1.701 121.914 120.200 0.021 0.000 2.130 524 E HA -0.132 4.217 4.350 -0.002 0.000 0.196 524 E C 1.263 177.851 176.600 -0.020 0.000 0.998 524 E CA 1.823 58.214 56.400 -0.014 0.000 0.806 524 E CB -0.478 29.200 29.700 -0.036 0.000 0.738 524 E HN 0.677 nan 8.360 nan 0.000 0.459 525 S N -0.612 115.078 115.700 -0.016 0.000 2.743 525 S HA 0.293 4.761 4.470 -0.002 0.000 0.230 525 S C 0.894 175.481 174.600 -0.021 0.000 0.950 525 S CA 0.350 58.542 58.200 -0.012 0.000 0.976 525 S CB 0.103 63.307 63.200 0.007 0.000 0.779 525 S HN 0.519 nan 8.310 nan 0.000 0.487 526 G N 1.873 110.647 108.800 -0.043 0.000 2.249 526 G HA2 -0.250 3.708 3.960 -0.002 0.000 0.273 526 G HA3 -0.250 3.708 3.960 -0.002 0.000 0.273 526 G C -0.359 174.461 174.900 -0.133 0.000 1.036 526 G CA -0.047 45.003 45.100 -0.083 0.000 0.824 526 G HN 0.567 nan 8.290 nan 0.000 0.504 527 E N -0.084 120.042 120.200 -0.124 0.000 2.207 527 E HA 0.452 4.801 4.350 -0.002 0.000 0.270 527 E C 0.069 176.554 176.600 -0.191 0.000 0.927 527 E CA -1.050 55.267 56.400 -0.137 0.000 0.799 527 E CB 1.204 30.865 29.700 -0.064 0.000 1.172 527 E HN 0.394 nan 8.360 nan 0.000 0.404 528 H N 1.495 120.524 119.070 -0.068 0.000 2.690 528 H HA 0.311 4.865 4.556 -0.002 0.000 0.365 528 H C -0.188 175.039 175.328 -0.168 0.000 1.142 528 H CA 0.474 56.462 56.048 -0.098 0.000 1.417 528 H CB 0.680 30.403 29.762 -0.065 0.000 1.446 528 H HN 0.358 nan 8.280 nan 0.000 0.599 529 I N 2.012 122.494 120.570 -0.147 0.000 2.607 529 I HA 0.122 4.291 4.170 -0.002 0.000 0.290 529 I C -0.741 175.225 176.117 -0.252 0.000 1.129 529 I CA -0.745 60.368 61.300 -0.312 0.000 1.042 529 I CB 2.431 39.983 38.000 -0.746 0.000 1.242 529 I HN 0.114 nan 8.210 nan 0.000 0.421 530 V N 4.803 124.634 119.914 -0.138 0.000 2.459 530 V HA 0.817 4.936 4.120 -0.002 0.000 0.295 530 V C -0.034 176.031 176.094 -0.049 0.000 1.029 530 V CA -0.445 61.808 62.300 -0.079 0.000 0.874 530 V CB 1.555 33.341 31.823 -0.061 0.000 0.985 530 V HN 0.807 nan 8.190 nan 0.000 0.438 531 A N 3.301 126.117 122.820 -0.006 0.000 2.414 531 A HA 1.011 5.329 4.320 -0.002 0.000 0.306 531 A C -0.072 177.510 177.584 -0.004 0.000 1.054 531 A CA -0.077 51.980 52.037 0.033 0.000 0.724 531 A CB 2.010 21.100 19.000 0.149 0.000 1.267 531 A HN 1.212 nan 8.150 nan 0.000 0.418 532 G N -0.535 108.252 108.800 -0.021 0.000 2.695 532 G HA2 0.488 4.446 3.960 -0.002 0.000 0.290 532 G HA3 0.488 4.446 3.960 -0.002 0.000 0.290 532 G C 0.446 175.440 174.900 0.156 0.000 1.410 532 G CA 0.424 45.523 45.100 -0.002 0.000 0.844 532 G HN 0.587 nan 8.290 nan 0.000 0.478 533 T N -0.090 114.714 114.554 0.417 0.000 2.536 533 T HA 0.010 4.359 4.350 -0.002 0.000 0.263 533 T C 1.356 176.123 174.700 0.111 0.000 1.115 533 T CA 2.227 64.448 62.100 0.202 0.000 1.180 533 T CB -0.573 68.329 68.868 0.058 0.000 0.864 533 T HN 0.990 nan 8.240 nan 0.000 0.419 534 G N -0.883 107.993 108.800 0.127 0.000 3.105 534 G HA2 0.516 4.474 3.960 -0.002 0.000 0.277 534 G HA3 0.516 4.474 3.960 -0.002 0.000 0.277 534 G C -0.066 174.859 174.900 0.042 0.000 1.375 534 G CA -0.454 44.680 45.100 0.056 0.000 0.962 534 G HN 0.217 nan 8.290 nan 0.000 0.541 535 E N -0.898 119.308 120.200 0.011 0.000 2.216 535 E HA 0.001 4.349 4.350 -0.002 0.000 0.192 535 E C 2.244 178.852 176.600 0.013 0.000 0.988 535 E CA 0.144 56.540 56.400 -0.007 0.000 0.834 535 E CB 0.057 29.745 29.700 -0.020 0.000 0.772 535 E HN 0.244 nan 8.360 nan 0.000 0.479 536 L N 0.525 121.765 121.223 0.029 0.000 2.109 536 L HA -0.131 4.208 4.340 -0.002 0.000 0.207 536 L C 2.176 179.090 176.870 0.073 0.000 1.086 536 L CA 1.912 56.774 54.840 0.036 0.000 0.760 536 L CB -0.543 41.529 42.059 0.021 0.000 0.910 536 L HN 0.266 nan 8.230 nan 0.000 0.437 537 H N -1.333 117.717 119.070 -0.033 0.000 2.321 537 H HA -0.182 4.372 4.556 -0.002 0.000 0.300 537 H C 2.172 177.496 175.328 -0.008 0.000 1.087 537 H CA 1.730 57.760 56.048 -0.030 0.000 1.319 537 H CB 0.163 29.898 29.762 -0.045 0.000 1.379 537 H HN 0.332 nan 8.280 nan 0.000 0.501 538 L N 1.643 122.769 121.223 -0.161 0.000 2.042 538 L HA -0.162 4.177 4.340 -0.002 0.000 0.210 538 L C 2.305 179.120 176.870 -0.091 0.000 1.076 538 L CA 1.826 56.545 54.840 -0.201 0.000 0.749 538 L CB -0.830 41.165 42.059 -0.107 0.000 0.893 538 L HN 0.226 nan 8.230 nan 0.000 0.432 539 E N -0.137 120.047 120.200 -0.027 0.000 2.049 539 E HA -0.229 4.120 4.350 -0.002 0.000 0.198 539 E C 2.129 178.741 176.600 0.020 0.000 1.007 539 E CA 1.973 58.377 56.400 0.008 0.000 0.809 539 E CB -0.332 29.381 29.700 0.022 0.000 0.749 539 E HN 0.475 nan 8.360 nan 0.000 0.450 540 I N 0.182 120.771 120.570 0.032 0.000 2.226 540 I HA -0.287 3.882 4.170 -0.002 0.000 0.245 540 I C 2.433 178.582 176.117 0.053 0.000 1.100 540 I CA 0.784 62.115 61.300 0.053 0.000 1.374 540 I CB -1.520 36.528 38.000 0.081 0.000 1.057 540 I HN 0.236 nan 8.210 nan 0.000 0.413 541 C N 1.087 120.392 119.300 0.009 0.000 2.455 541 C HA -0.157 4.302 4.460 -0.002 0.000 0.281 541 C C 2.942 177.955 174.990 0.037 0.000 1.237 541 C CA 0.523 59.542 59.018 0.002 0.000 1.726 541 C CB -1.205 26.445 27.740 -0.151 0.000 2.068 541 C HN 0.447 nan 8.230 nan 0.000 0.466 542 L N 0.633 121.859 121.223 0.004 0.000 2.129 542 L HA -0.231 4.108 4.340 -0.002 0.000 0.212 542 L C 2.857 179.758 176.870 0.052 0.000 1.087 542 L CA 1.326 56.178 54.840 0.020 0.000 0.757 542 L CB -0.868 41.197 42.059 0.011 0.000 0.896 542 L HN 0.519 nan 8.230 nan 0.000 0.434 543 Q N 0.571 120.413 119.800 0.071 0.000 1.942 543 Q HA -0.219 4.120 4.340 -0.002 0.000 0.203 543 Q C 1.802 177.884 176.000 0.136 0.000 0.987 543 Q CA 2.032 57.906 55.803 0.118 0.000 0.844 543 Q CB -0.215 28.580 28.738 0.095 0.000 0.911 543 Q HN 0.469 nan 8.270 nan 0.000 0.423 544 D N 0.824 121.284 120.400 0.100 0.000 2.133 544 D HA -0.195 4.444 4.640 -0.002 0.000 0.195 544 D C 2.085 178.440 176.300 0.091 0.000 0.997 544 D CA 0.949 54.974 54.000 0.041 0.000 0.840 544 D CB -0.446 40.340 40.800 -0.023 0.000 0.947 544 D HN 0.187 nan 8.370 nan 0.000 0.452 545 L N 1.399 122.762 121.223 0.232 0.000 1.963 545 L HA -0.239 4.100 4.340 -0.002 0.000 0.220 545 L C 2.185 179.099 176.870 0.073 0.000 1.076 545 L CA 2.167 57.133 54.840 0.210 0.000 0.772 545 L CB -0.719 41.396 42.059 0.094 0.000 0.892 545 L HN 0.037 nan 8.230 nan 0.000 0.435 546 E N -2.131 118.064 120.200 -0.007 0.000 2.268 546 E HA -0.243 4.105 4.350 -0.002 0.000 0.195 546 E C 1.606 178.062 176.600 -0.240 0.000 0.995 546 E CA 1.421 57.738 56.400 -0.139 0.000 0.836 546 E CB -0.076 29.491 29.700 -0.221 0.000 0.763 546 E HN 0.787 nan 8.360 nan 0.000 0.491 547 H N -1.305 117.763 119.070 -0.005 0.000 2.750 547 H HA 0.169 4.724 4.556 -0.002 0.000 0.263 547 H C 0.792 176.095 175.328 -0.042 0.000 0.964 547 H CA 0.525 56.560 56.048 -0.021 0.000 1.205 547 H CB 0.785 30.533 29.762 -0.024 0.000 1.454 547 H HN 0.095 nan 8.280 nan 0.000 0.503 548 D N -1.631 118.785 120.400 0.026 0.000 2.954 548 D HA -0.007 4.632 4.640 -0.002 0.000 0.266 548 D C 1.537 177.812 176.300 -0.042 0.000 1.277 548 D CA 0.089 54.056 54.000 -0.056 0.000 1.130 548 D CB 0.237 40.936 40.800 -0.168 0.000 1.440 548 D HN 0.249 nan 8.370 nan 0.000 0.427 549 H N 1.407 120.487 119.070 0.016 0.000 2.289 549 H HA -0.027 4.527 4.556 -0.002 0.000 0.296 549 H C 1.738 177.059 175.328 -0.013 0.000 1.091 549 H CA 1.971 58.020 56.048 0.001 0.000 1.274 549 H CB 0.073 29.832 29.762 -0.004 0.000 1.364 549 H HN 0.170 nan 8.280 nan 0.000 0.490 550 A N -0.319 122.568 122.820 0.111 0.000 2.055 550 A HA 0.339 4.658 4.320 -0.002 0.000 0.205 550 A C 1.577 179.165 177.584 0.007 0.000 1.235 550 A CA 0.778 52.834 52.037 0.032 0.000 0.822 550 A CB -0.193 18.806 19.000 -0.001 0.000 0.903 550 A HN 0.457 nan 8.150 nan 0.000 0.473 551 G N -0.167 108.633 108.800 -0.001 0.000 2.290 551 G HA2 0.033 3.991 3.960 -0.002 0.000 0.270 551 G HA3 0.033 3.991 3.960 -0.002 0.000 0.270 551 G C -0.320 174.560 174.900 -0.033 0.000 0.891 551 G CA 0.643 45.733 45.100 -0.017 0.000 1.321 551 G HN 1.207 nan 8.290 nan 0.000 0.425 552 V N 2.667 122.543 119.914 -0.065 0.000 3.023 552 V HA 0.409 4.528 4.120 -0.002 0.000 0.294 552 V C -2.386 173.658 176.094 -0.083 0.000 1.324 552 V CA -1.422 60.845 62.300 -0.055 0.000 0.979 552 V CB 2.756 34.557 31.823 -0.038 0.000 1.093 552 V HN 0.278 nan 8.190 nan 0.000 0.434 553 P HA 0.361 nan 4.420 nan 0.000 0.267 553 P C -1.165 176.101 177.300 -0.056 0.000 1.205 553 P CA 0.265 63.322 63.100 -0.072 0.000 0.765 553 P CB 0.324 31.999 31.700 -0.042 0.000 0.828 554 L N 2.939 124.126 121.223 -0.060 0.000 2.371 554 L HA 0.549 4.888 4.340 -0.002 0.000 0.262 554 L C 0.183 177.038 176.870 -0.025 0.000 1.006 554 L CA -1.054 53.763 54.840 -0.038 0.000 0.818 554 L CB 2.365 44.398 42.059 -0.043 0.000 1.354 554 L HN 0.257 nan 8.230 nan 0.000 0.415 555 K N 2.413 122.806 120.400 -0.012 0.000 2.367 555 K HA 0.623 4.941 4.320 -0.002 0.000 0.263 555 K C -0.927 175.673 176.600 -0.000 0.000 1.000 555 K CA -0.480 55.803 56.287 -0.006 0.000 0.891 555 K CB 1.555 34.052 32.500 -0.006 0.000 1.117 555 K HN 0.431 nan 8.250 nan 0.000 0.443 556 I N 2.351 122.925 120.570 0.006 0.000 2.532 556 I HA 0.175 4.344 4.170 -0.002 0.000 0.292 556 I C 0.278 176.405 176.117 0.017 0.000 1.014 556 I CA -0.059 61.252 61.300 0.019 0.000 1.340 556 I CB 1.437 39.456 38.000 0.033 0.000 1.422 556 I HN 0.905 nan 8.210 nan 0.000 0.528 557 S N 4.586 120.297 115.700 0.018 0.000 2.611 557 S HA 0.516 4.985 4.470 -0.002 0.000 0.268 557 S C -3.083 171.490 174.600 -0.044 0.000 1.156 557 S CA -1.436 56.748 58.200 -0.027 0.000 0.817 557 S CB 1.621 64.792 63.200 -0.048 0.000 1.122 557 S HN 0.194 nan 8.310 nan 0.000 0.466 558 P HA 0.308 nan 4.420 nan 0.000 0.271 558 P C -2.391 174.855 177.300 -0.091 0.000 1.220 558 P CA -0.824 62.051 63.100 -0.375 0.000 0.768 558 P CB -0.162 31.013 31.700 -0.875 0.000 0.848 559 P HA -0.039 nan 4.420 nan 0.000 0.268 559 P C -0.483 176.839 177.300 0.035 0.000 1.204 559 P CA 0.301 63.431 63.100 0.050 0.000 0.768 559 P CB 0.456 32.215 31.700 0.098 0.000 0.842 560 V N 4.320 124.246 119.914 0.020 0.000 2.572 560 V HA 0.033 4.151 4.120 -0.002 0.000 0.291 560 V C 0.931 177.042 176.094 0.028 0.000 1.039 560 V CA -0.245 62.076 62.300 0.034 0.000 1.055 560 V CB 1.057 32.902 31.823 0.036 0.000 0.969 560 V HN 0.291 nan 8.190 nan 0.000 0.482 561 V N 4.417 124.352 119.914 0.035 0.000 2.509 561 V HA 0.638 4.757 4.120 -0.002 0.000 0.284 561 V C 0.632 176.600 176.094 -0.211 0.000 1.047 561 V CA -0.340 61.902 62.300 -0.097 0.000 0.952 561 V CB 1.516 33.262 31.823 -0.128 0.000 0.988 561 V HN 1.038 nan 8.190 nan 0.000 0.469 562 A N 4.384 127.034 122.820 -0.284 0.000 2.304 562 A HA 0.812 5.131 4.320 -0.002 0.000 0.301 562 A C -1.151 176.198 177.584 -0.392 0.000 1.132 562 A CA -0.223 51.693 52.037 -0.200 0.000 0.819 562 A CB 0.470 19.447 19.000 -0.038 0.000 1.094 562 A HN 0.713 nan 8.150 nan 0.000 0.492 563 Y N -0.062 120.331 120.300 0.155 0.000 2.662 563 Y HA 0.758 5.307 4.550 -0.002 0.000 0.335 563 Y C 0.163 175.989 175.900 -0.124 0.000 1.066 563 Y CA -0.813 57.399 58.100 0.187 0.000 1.116 563 Y CB 1.640 40.274 38.460 0.289 0.000 1.308 563 Y HN 0.605 nan 8.280 nan 0.000 0.502 564 R N 0.856 121.355 120.500 -0.000 0.000 2.513 564 R HA 0.346 4.685 4.340 -0.002 0.000 0.301 564 R C -1.463 174.836 176.300 -0.001 0.000 0.968 564 R CA -1.001 54.957 56.100 -0.235 0.000 0.872 564 R CB 1.210 31.124 30.300 -0.642 0.000 1.177 564 R HN 0.624 nan 8.270 nan 0.000 0.444 565 E N 1.062 121.267 120.200 0.008 0.000 2.229 565 E HA 0.318 4.667 4.350 -0.002 0.000 0.283 565 E C -0.309 176.445 176.600 0.257 0.000 1.030 565 E CA -0.104 56.403 56.400 0.178 0.000 0.836 565 E CB 1.565 31.320 29.700 0.092 0.000 1.068 565 E HN 0.387 nan 8.360 nan 0.000 0.401 566 T N 1.120 115.825 114.554 0.252 0.000 2.865 566 T HA 0.539 4.887 4.350 -0.002 0.000 0.294 566 T C -1.072 173.557 174.700 -0.119 0.000 1.119 566 T CA -0.763 61.403 62.100 0.109 0.000 1.007 566 T CB 1.330 70.222 68.868 0.040 0.000 1.225 566 T HN 0.250 nan 8.240 nan 0.000 0.515 567 V N 1.369 121.138 119.914 -0.241 0.000 2.769 567 V HA 0.753 4.872 4.120 -0.002 0.000 0.312 567 V C 0.760 176.748 176.094 -0.176 0.000 1.058 567 V CA -0.594 61.491 62.300 -0.359 0.000 0.952 567 V CB 1.561 33.108 31.823 -0.460 0.000 1.019 567 V HN 0.939 nan 8.190 nan 0.000 0.445 568 E N 1.391 121.496 120.200 -0.158 0.000 2.307 568 E HA 0.274 4.623 4.350 -0.002 0.000 0.195 568 E C 0.814 177.362 176.600 -0.088 0.000 0.975 568 E CA 0.985 57.328 56.400 -0.095 0.000 0.878 568 E CB 0.558 30.213 29.700 -0.075 0.000 0.845 568 E HN 0.986 nan 8.360 nan 0.000 0.488 569 S N -1.295 114.340 115.700 -0.108 0.000 2.727 569 S HA 0.367 4.835 4.470 -0.002 0.000 0.278 569 S C -1.663 172.875 174.600 -0.104 0.000 1.186 569 S CA -0.853 57.291 58.200 -0.093 0.000 0.836 569 S CB 0.374 63.529 63.200 -0.077 0.000 1.186 569 S HN -0.032 nan 8.310 nan 0.000 0.499 570 E N 1.883 122.030 120.200 -0.089 0.000 2.344 570 E HA 0.376 4.725 4.350 -0.002 0.000 0.270 570 E C -0.341 176.201 176.600 -0.096 0.000 1.021 570 E CA 0.180 56.527 56.400 -0.088 0.000 0.887 570 E CB 0.637 30.292 29.700 -0.074 0.000 0.997 570 E HN 0.466 nan 8.360 nan 0.000 0.429 571 S N 2.021 117.658 115.700 -0.105 0.000 2.593 571 S HA -0.092 4.377 4.470 -0.002 0.000 0.300 571 S C 1.302 175.833 174.600 -0.116 0.000 1.267 571 S CA 0.317 58.442 58.200 -0.125 0.000 1.065 571 S CB 0.277 63.403 63.200 -0.123 0.000 0.807 571 S HN 0.682 nan 8.310 nan 0.000 0.499 572 S N 2.149 117.771 115.700 -0.130 0.000 2.420 572 S HA -0.178 4.291 4.470 -0.002 0.000 0.237 572 S C 0.525 175.065 174.600 -0.100 0.000 1.023 572 S CA 1.011 59.147 58.200 -0.106 0.000 0.991 572 S CB -0.502 62.635 63.200 -0.106 0.000 0.792 572 S HN 0.897 nan 8.310 nan 0.000 0.488 573 Q N -0.039 119.681 119.800 -0.132 0.000 2.482 573 Q HA 0.512 4.850 4.340 -0.002 0.000 0.286 573 Q C -0.885 175.066 176.000 -0.081 0.000 1.007 573 Q CA -0.987 54.761 55.803 -0.091 0.000 0.801 573 Q CB 0.865 29.549 28.738 -0.090 0.000 1.455 573 Q HN 0.180 nan 8.270 nan 0.000 0.398 574 T N -0.696 113.843 114.554 -0.025 0.000 2.937 574 T HA 0.487 4.835 4.350 -0.002 0.000 0.316 574 T C 0.188 174.856 174.700 -0.053 0.000 1.079 574 T CA 0.012 62.102 62.100 -0.016 0.000 1.131 574 T CB 0.662 69.555 68.868 0.041 0.000 1.000 574 T HN 0.775 nan 8.240 nan 0.000 0.549 575 A N 2.975 125.727 122.820 -0.113 0.000 2.317 575 A HA 0.748 5.067 4.320 -0.002 0.000 0.327 575 A C -0.338 176.993 177.584 -0.423 0.000 1.178 575 A CA -1.070 50.816 52.037 -0.251 0.000 0.817 575 A CB 0.623 19.545 19.000 -0.130 0.000 1.189 575 A HN 0.892 nan 8.150 nan 0.000 0.489 576 L N 0.964 121.681 121.223 -0.842 0.000 2.341 576 L HA 0.801 5.140 4.340 -0.002 0.000 0.267 576 L C -0.143 176.397 176.870 -0.551 0.000 1.009 576 L CA -0.502 53.871 54.840 -0.779 0.000 0.819 576 L CB 2.471 44.013 42.059 -0.863 0.000 1.323 576 L HN 0.626 nan 8.230 nan 0.000 0.425 577 S N 0.785 116.277 115.700 -0.346 0.000 2.605 577 S HA 0.281 4.750 4.470 -0.002 0.000 0.279 577 S C -1.338 173.202 174.600 -0.100 0.000 1.166 577 S CA -0.969 57.137 58.200 -0.156 0.000 0.975 577 S CB 1.688 64.838 63.200 -0.082 0.000 1.111 577 S HN 0.619 nan 8.310 nan 0.000 0.465 578 K N 0.933 121.304 120.400 -0.050 0.000 2.138 578 K HA 0.709 5.028 4.320 -0.002 0.000 0.263 578 K C 0.418 177.026 176.600 0.013 0.000 0.965 578 K CA -0.538 55.744 56.287 -0.009 0.000 0.868 578 K CB 1.386 33.886 32.500 0.000 0.000 1.083 578 K HN 0.519 nan 8.250 nan 0.000 0.443 579 S N 1.514 117.235 115.700 0.035 0.000 2.606 579 S HA 0.117 4.586 4.470 -0.002 0.000 0.257 579 S C -1.383 173.227 174.600 0.017 0.000 1.327 579 S CA -0.942 57.280 58.200 0.037 0.000 0.984 579 S CB 0.214 63.452 63.200 0.063 0.000 0.941 579 S HN 0.719 nan 8.310 nan 0.000 0.576 580 P HA 0.130 nan 4.420 nan 0.000 0.252 580 P C -0.059 177.219 177.300 -0.037 0.000 1.265 580 P CA 0.327 63.423 63.100 -0.006 0.000 0.775 580 P CB -0.259 31.444 31.700 0.006 0.000 1.128 581 N N 0.406 119.082 118.700 -0.041 0.000 2.322 581 N HA 0.026 4.765 4.740 -0.002 0.000 0.181 581 N C 0.934 176.305 175.510 -0.231 0.000 1.088 581 N CA 0.108 53.083 53.050 -0.126 0.000 0.885 581 N CB -0.231 38.246 38.487 -0.017 0.000 1.013 581 N HN 0.039 nan 8.380 nan 0.000 0.472 582 K N -0.921 119.423 120.400 -0.092 0.000 3.472 582 K HA -0.271 4.047 4.320 -0.002 0.000 0.315 582 K C 0.345 176.950 176.600 0.008 0.000 1.320 582 K CA 1.142 57.389 56.287 -0.067 0.000 0.962 582 K CB -1.245 31.184 32.500 -0.118 0.000 1.251 582 K HN 0.514 nan 8.250 nan 0.000 0.443 583 H N -1.122 117.976 119.070 0.047 0.000 2.439 583 H HA 0.088 4.642 4.556 -0.002 0.000 0.299 583 H C 0.183 175.583 175.328 0.119 0.000 1.033 583 H CA 0.358 56.464 56.048 0.097 0.000 1.348 583 H CB 0.311 30.147 29.762 0.123 0.000 1.449 583 H HN 0.180 nan 8.280 nan 0.000 0.544 584 N N 0.697 119.538 118.700 0.234 0.000 2.417 584 N HA 0.379 5.118 4.740 -0.002 0.000 0.300 584 N C -0.892 174.700 175.510 0.136 0.000 1.102 584 N CA -0.549 52.610 53.050 0.181 0.000 0.886 584 N CB 1.841 40.427 38.487 0.165 0.000 1.203 584 N HN 0.109 nan 8.380 nan 0.000 0.496 585 R N 0.583 121.176 120.500 0.155 0.000 2.795 585 R HA 0.658 4.996 4.340 -0.002 0.000 0.275 585 R C -0.793 175.617 176.300 0.183 0.000 0.981 585 R CA -0.749 55.422 56.100 0.118 0.000 0.917 585 R CB 2.134 32.512 30.300 0.130 0.000 1.202 585 R HN 0.444 nan 8.270 nan 0.000 0.469 586 I N 2.031 122.646 120.570 0.075 0.000 2.533 586 I HA 0.358 4.526 4.170 -0.002 0.000 0.290 586 I C -1.243 174.930 176.117 0.093 0.000 1.056 586 I CA -0.748 60.644 61.300 0.153 0.000 1.057 586 I CB 1.922 39.956 38.000 0.057 0.000 1.240 586 I HN 0.539 nan 8.210 nan 0.000 0.423 587 Y N 7.060 127.323 120.300 -0.062 0.000 2.326 587 Y HA 0.604 5.153 4.550 -0.002 0.000 0.331 587 Y C -0.371 175.480 175.900 -0.082 0.000 0.962 587 Y CA -1.181 56.871 58.100 -0.080 0.000 1.167 587 Y CB 1.559 39.981 38.460 -0.064 0.000 1.148 587 Y HN 0.359 nan 8.280 nan 0.000 0.463 588 L N 0.156 121.404 121.223 0.042 0.000 2.389 588 L HA 0.815 5.153 4.340 -0.002 0.000 0.249 588 L C -1.405 175.454 176.870 -0.018 0.000 1.083 588 L CA -1.580 53.257 54.840 -0.004 0.000 0.876 588 L CB 2.039 44.082 42.059 -0.025 0.000 1.489 588 L HN 0.364 nan 8.230 nan 0.000 0.412 589 K N -0.114 120.269 120.400 -0.028 0.000 2.508 589 K HA 0.895 5.214 4.320 -0.002 0.000 0.260 589 K C -1.610 174.974 176.600 -0.027 0.000 0.949 589 K CA -0.731 55.535 56.287 -0.034 0.000 0.834 589 K CB 2.567 35.042 32.500 -0.041 0.000 1.365 589 K HN 1.019 nan 8.250 nan 0.000 0.437 590 A N 1.707 124.508 122.820 -0.031 0.000 2.365 590 A HA 0.644 4.963 4.320 -0.002 0.000 0.318 590 A C -1.135 176.416 177.584 -0.056 0.000 1.091 590 A CA -0.543 51.483 52.037 -0.018 0.000 0.763 590 A CB 1.089 20.095 19.000 0.009 0.000 1.248 590 A HN 0.811 nan 8.150 nan 0.000 0.442 591 E N 1.089 121.260 120.200 -0.048 0.000 2.433 591 E HA 0.661 5.010 4.350 -0.002 0.000 0.278 591 E C -3.141 173.424 176.600 -0.059 0.000 0.976 591 E CA -2.257 54.101 56.400 -0.071 0.000 0.793 591 E CB 1.739 31.392 29.700 -0.079 0.000 1.311 591 E HN 0.274 nan 8.360 nan 0.000 0.460 592 P HA 0.192 nan 4.420 nan 0.000 0.271 592 P C -0.699 176.572 177.300 -0.049 0.000 1.216 592 P CA -0.037 63.031 63.100 -0.054 0.000 0.776 592 P CB 0.522 32.186 31.700 -0.061 0.000 0.881 593 I N 2.015 122.582 120.570 -0.006 0.000 2.437 593 I HA 0.198 4.367 4.170 -0.002 0.000 0.298 593 I C 0.803 176.929 176.117 0.015 0.000 0.984 593 I CA -0.648 60.662 61.300 0.016 0.000 1.214 593 I CB 0.926 38.988 38.000 0.103 0.000 1.365 593 I HN 0.220 nan 8.210 nan 0.000 0.469 594 D N 4.595 124.999 120.400 0.006 0.000 2.414 594 D HA -0.043 4.596 4.640 -0.002 0.000 0.242 594 D C 1.003 177.343 176.300 0.067 0.000 1.129 594 D CA 0.217 54.232 54.000 0.025 0.000 0.885 594 D CB 1.267 42.082 40.800 0.024 0.000 1.198 594 D HN 0.482 nan 8.370 nan 0.000 0.437 595 E N 2.064 122.300 120.200 0.060 0.000 2.077 595 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 595 E C 1.479 178.138 176.600 0.098 0.000 0.989 595 E CA 0.898 57.344 56.400 0.077 0.000 0.800 595 E CB 0.134 29.868 29.700 0.058 0.000 0.746 595 E HN 0.597 nan 8.360 nan 0.000 0.452 596 E N -0.076 120.191 120.200 0.112 0.000 2.110 596 E HA -0.138 4.211 4.350 -0.002 0.000 0.193 596 E C 2.093 178.799 176.600 0.177 0.000 0.988 596 E CA 0.943 57.438 56.400 0.158 0.000 0.804 596 E CB 0.266 30.082 29.700 0.193 0.000 0.745 596 E HN 0.056 nan 8.360 nan 0.000 0.458 597 V N 0.104 120.109 119.914 0.151 0.000 2.283 597 V HA -0.209 3.909 4.120 -0.002 0.000 0.243 597 V C 2.320 178.449 176.094 0.058 0.000 1.039 597 V CA 1.681 64.019 62.300 0.064 0.000 1.016 597 V CB -0.510 31.415 31.823 0.169 0.000 0.650 597 V HN 0.199 nan 8.190 nan 0.000 0.449 598 S N 0.134 115.894 115.700 0.100 0.000 2.392 598 S HA -0.206 4.262 4.470 -0.002 0.000 0.232 598 S C 1.872 176.536 174.600 0.106 0.000 1.041 598 S CA 1.508 59.771 58.200 0.105 0.000 1.026 598 S CB -0.392 62.870 63.200 0.103 0.000 0.845 598 S HN 0.291 nan 8.310 nan 0.000 0.465 599 L N 1.228 122.516 121.223 0.109 0.000 2.056 599 L HA 0.045 4.383 4.340 -0.002 0.000 0.207 599 L C 2.600 179.523 176.870 0.087 0.000 1.078 599 L CA 1.712 56.623 54.840 0.117 0.000 0.749 599 L CB -1.636 40.496 42.059 0.121 0.000 0.901 599 L HN 0.301 nan 8.230 nan 0.000 0.433 600 A N -0.555 122.294 122.820 0.047 0.000 1.933 600 A HA -0.185 4.134 4.320 -0.002 0.000 0.218 600 A C 2.322 179.902 177.584 -0.005 0.000 1.175 600 A CA 1.690 53.723 52.037 -0.008 0.000 0.628 600 A CB -0.583 18.296 19.000 -0.202 0.000 0.814 600 A HN 0.394 nan 8.150 nan 0.000 0.444 601 I N -0.696 119.889 120.570 0.024 0.000 2.163 601 I HA -0.243 3.926 4.170 -0.002 0.000 0.240 601 I C 2.516 178.669 176.117 0.060 0.000 1.081 601 I CA 1.595 62.935 61.300 0.067 0.000 1.353 601 I CB -0.579 37.520 38.000 0.165 0.000 1.054 601 I HN 0.406 nan 8.210 nan 0.000 0.407 602 E N 1.016 121.267 120.200 0.084 0.000 2.097 602 E HA -0.218 4.131 4.350 -0.002 0.000 0.196 602 E C 1.453 178.096 176.600 0.072 0.000 1.000 602 E CA 1.255 57.710 56.400 0.091 0.000 0.804 602 E CB -0.176 29.604 29.700 0.133 0.000 0.740 602 E HN 0.491 nan 8.360 nan 0.000 0.454 603 N N -0.295 118.446 118.700 0.069 0.000 2.461 603 N HA -0.005 4.734 4.740 -0.002 0.000 0.188 603 N C 0.729 176.259 175.510 0.034 0.000 1.134 603 N CA 0.934 54.020 53.050 0.059 0.000 0.878 603 N CB 0.985 39.514 38.487 0.070 0.000 0.972 603 N HN 0.252 nan 8.380 nan 0.000 0.456 604 G N 1.182 109.992 108.800 0.016 0.000 2.198 604 G HA2 -0.213 3.745 3.960 -0.002 0.000 0.257 604 G HA3 -0.213 3.745 3.960 -0.002 0.000 0.257 604 G C 0.721 175.614 174.900 -0.012 0.000 1.042 604 G CA -0.065 45.028 45.100 -0.011 0.000 0.791 604 G HN 0.288 nan 8.290 nan 0.000 0.502 605 I N -0.580 119.989 120.570 -0.003 0.000 2.867 605 I HA 0.264 4.433 4.170 -0.002 0.000 0.265 605 I C 1.517 177.620 176.117 -0.024 0.000 1.162 605 I CA 0.722 62.029 61.300 0.012 0.000 1.471 605 I CB -0.106 37.932 38.000 0.063 0.000 1.123 605 I HN 0.235 nan 8.210 nan 0.000 0.440 606 I N 2.377 122.909 120.570 -0.064 0.000 2.371 606 I HA 0.197 4.365 4.170 -0.002 0.000 0.282 606 I C -0.132 175.906 176.117 -0.132 0.000 1.031 606 I CA -0.219 61.028 61.300 -0.088 0.000 1.180 606 I CB 0.667 38.611 38.000 -0.093 0.000 1.336 606 I HN 0.044 nan 8.210 nan 0.000 0.467 607 N N 7.860 126.454 118.700 -0.177 0.000 2.362 607 N HA 0.394 5.132 4.740 -0.002 0.000 0.298 607 N C -2.154 173.112 175.510 -0.408 0.000 1.048 607 N CA -2.051 50.835 53.050 -0.272 0.000 0.858 607 N CB 2.768 41.161 38.487 -0.157 0.000 1.218 607 N HN 0.113 nan 8.380 nan 0.000 0.488 608 P HA 0.052 nan 4.420 nan 0.000 0.229 608 P C 0.882 178.048 177.300 -0.223 0.000 1.160 608 P CA 0.738 63.490 63.100 -0.580 0.000 0.777 608 P CB 0.474 31.764 31.700 -0.683 0.000 0.814 609 R N -0.375 120.018 120.500 -0.178 0.000 2.246 609 R HA 0.066 4.405 4.340 -0.002 0.000 0.199 609 R C 0.029 176.291 176.300 -0.064 0.000 0.984 609 R CA 0.422 56.467 56.100 -0.092 0.000 1.015 609 R CB -0.648 29.605 30.300 -0.078 0.000 0.930 609 R HN 0.037 nan 8.270 nan 0.000 0.475 610 D N 1.398 121.750 120.400 -0.080 0.000 2.341 610 D HA 0.040 4.679 4.640 -0.002 0.000 0.245 610 D C -0.514 175.773 176.300 -0.023 0.000 1.106 610 D CA -0.007 53.962 54.000 -0.052 0.000 0.905 610 D CB 0.535 41.295 40.800 -0.066 0.000 1.202 610 D HN 0.107 nan 8.370 nan 0.000 0.426 611 D N 0.781 121.178 120.400 -0.006 0.000 2.515 611 D HA -0.159 4.479 4.640 -0.002 0.000 0.232 611 D C 1.083 177.407 176.300 0.041 0.000 1.157 611 D CA 0.105 54.123 54.000 0.031 0.000 0.871 611 D CB 0.425 41.239 40.800 0.023 0.000 1.200 611 D HN 0.305 nan 8.370 nan 0.000 0.466 612 F N 1.821 121.766 119.950 -0.009 0.000 2.269 612 F HA -0.175 4.351 4.527 -0.002 0.000 0.301 612 F C 2.203 178.004 175.800 0.001 0.000 1.082 612 F CA 1.400 59.399 58.000 -0.002 0.000 1.360 612 F CB 0.030 39.032 39.000 0.003 0.000 1.041 612 F HN 0.340 nan 8.300 nan 0.000 0.512 613 K N 0.588 120.976 120.400 -0.021 0.000 1.971 613 K HA -0.249 4.069 4.320 -0.002 0.000 0.221 613 K C 2.280 178.785 176.600 -0.157 0.000 1.050 613 K CA 1.880 58.125 56.287 -0.070 0.000 0.967 613 K CB -0.815 31.688 32.500 0.004 0.000 0.733 613 K HN 0.222 nan 8.250 nan 0.000 0.445 614 A N 1.138 123.897 122.820 -0.102 0.000 1.940 614 A HA -0.192 4.127 4.320 -0.002 0.000 0.219 614 A C 2.261 179.761 177.584 -0.140 0.000 1.176 614 A CA 1.809 53.790 52.037 -0.092 0.000 0.631 614 A CB -0.622 18.346 19.000 -0.054 0.000 0.814 614 A HN 0.498 nan 8.150 nan 0.000 0.446 615 R N -0.732 119.646 120.500 -0.203 0.000 2.066 615 R HA -0.073 4.266 4.340 -0.002 0.000 0.232 615 R C 2.446 178.546 176.300 -0.333 0.000 1.131 615 R CA 1.291 57.253 56.100 -0.230 0.000 0.955 615 R CB -0.396 29.786 30.300 -0.198 0.000 0.851 615 R HN 0.477 nan 8.270 nan 0.000 0.432 616 A N 0.954 123.385 122.820 -0.648 0.000 1.940 616 A HA -0.230 4.089 4.320 -0.002 0.000 0.219 616 A C 2.129 179.563 177.584 -0.251 0.000 1.176 616 A CA 1.596 53.259 52.037 -0.624 0.000 0.631 616 A CB -0.586 17.813 19.000 -1.002 0.000 0.814 616 A HN 0.355 nan 8.150 nan 0.000 0.446 617 R N -0.197 120.187 120.500 -0.194 0.000 2.082 617 R HA -0.136 4.202 4.340 -0.002 0.000 0.234 617 R C 2.018 178.317 176.300 -0.002 0.000 1.136 617 R CA 2.051 58.108 56.100 -0.071 0.000 0.935 617 R CB -0.480 29.786 30.300 -0.057 0.000 0.842 617 R HN 0.552 nan 8.270 nan 0.000 0.430 618 I N 0.520 121.098 120.570 0.013 0.000 2.151 618 I HA -0.349 3.820 4.170 -0.002 0.000 0.243 618 I C 2.479 178.755 176.117 0.265 0.000 1.080 618 I CA 1.640 63.020 61.300 0.135 0.000 1.339 618 I CB -0.230 37.846 38.000 0.126 0.000 1.039 618 I HN 0.317 nan 8.210 nan 0.000 0.409 619 M N -0.099 119.577 119.600 0.127 0.000 2.374 619 M HA -0.103 4.376 4.480 -0.002 0.000 0.264 619 M C 2.203 178.676 176.300 0.288 0.000 1.067 619 M CA 1.539 56.944 55.300 0.174 0.000 1.103 619 M CB -0.232 32.239 32.600 -0.214 0.000 1.402 619 M HN 0.343 nan 8.290 nan 0.000 0.444 620 A N -0.249 122.672 122.820 0.168 0.000 1.909 620 A HA -0.020 4.299 4.320 -0.002 0.000 0.209 620 A C 1.546 179.202 177.584 0.120 0.000 1.247 620 A CA 0.898 53.031 52.037 0.161 0.000 0.660 620 A CB -0.317 18.742 19.000 0.099 0.000 0.910 620 A HN 0.241 nan 8.150 nan 0.000 0.465 621 D N 0.177 120.625 120.400 0.079 0.000 2.363 621 D HA 0.009 4.648 4.640 -0.002 0.000 0.220 621 D C 0.468 176.772 176.300 0.006 0.000 0.994 621 D CA 0.832 54.855 54.000 0.039 0.000 0.890 621 D CB 0.139 40.952 40.800 0.021 0.000 0.906 621 D HN 0.477 nan 8.370 nan 0.000 0.530 622 D N -1.578 118.832 120.400 0.017 0.000 2.449 622 D HA 0.029 4.668 4.640 -0.002 0.000 0.255 622 D C 0.089 176.127 176.300 -0.436 0.000 1.121 622 D CA 0.062 53.932 54.000 -0.216 0.000 0.830 622 D CB 0.777 41.395 40.800 -0.302 0.000 1.280 622 D HN 0.238 nan 8.370 nan 0.000 0.522 623 Y N 0.234 120.614 120.300 0.133 0.000 2.696 623 Y HA 0.319 4.868 4.550 -0.002 0.000 0.255 623 Y C 1.608 177.615 175.900 0.179 0.000 1.103 623 Y CA -0.196 58.013 58.100 0.182 0.000 1.126 623 Y CB 1.234 39.865 38.460 0.285 0.000 1.197 623 Y HN -0.020 nan 8.280 nan 0.000 0.574 624 G N -0.224 108.689 108.800 0.188 0.000 2.366 624 G HA2 -0.386 3.573 3.960 -0.002 0.000 0.263 624 G HA3 -0.386 3.573 3.960 -0.002 0.000 0.263 624 G C 0.387 175.371 174.900 0.140 0.000 0.986 624 G CA 0.319 45.484 45.100 0.109 0.000 0.632 624 G HN 0.461 nan 8.290 nan 0.000 0.555 625 W N 1.898 123.249 121.300 0.084 0.000 2.391 625 W HA 0.365 5.024 4.660 -0.002 0.000 0.339 625 W C 0.945 177.491 176.519 0.045 0.000 1.252 625 W CA 0.548 57.928 57.345 0.059 0.000 1.304 625 W CB 0.317 29.816 29.460 0.064 0.000 1.179 625 W HN 0.300 nan 8.180 nan 0.000 0.567 626 D N 2.543 123.110 120.400 0.280 0.000 2.455 626 D HA -0.096 4.543 4.640 -0.002 0.000 0.241 626 D C 0.967 177.401 176.300 0.223 0.000 1.138 626 D CA 0.103 54.215 54.000 0.186 0.000 0.877 626 D CB 1.552 42.432 40.800 0.133 0.000 1.187 626 D HN 0.241 nan 8.370 nan 0.000 0.451 627 V N 3.328 123.335 119.914 0.155 0.000 2.490 627 V HA -0.226 3.893 4.120 -0.002 0.000 0.250 627 V C 2.063 178.246 176.094 0.148 0.000 1.061 627 V CA 3.132 65.514 62.300 0.137 0.000 1.064 627 V CB -0.933 30.950 31.823 0.100 0.000 0.670 627 V HN 0.890 nan 8.190 nan 0.000 0.461 628 T N -2.948 111.687 114.554 0.135 0.000 2.857 628 T HA -0.181 4.168 4.350 -0.002 0.000 0.266 628 T C 1.655 176.441 174.700 0.144 0.000 1.048 628 T CA 1.395 63.570 62.100 0.126 0.000 1.139 628 T CB -0.593 68.329 68.868 0.090 0.000 0.874 628 T HN 0.526 nan 8.240 nan 0.000 0.455 629 D N 2.292 122.797 120.400 0.175 0.000 2.108 629 D HA -0.117 4.522 4.640 -0.002 0.000 0.190 629 D C 2.603 178.970 176.300 0.111 0.000 0.995 629 D CA 1.838 55.953 54.000 0.192 0.000 0.834 629 D CB -1.043 40.012 40.800 0.425 0.000 0.967 629 D HN 0.548 nan 8.370 nan 0.000 0.446 630 A N 1.446 124.318 122.820 0.086 0.000 1.916 630 A HA -0.329 3.990 4.320 -0.002 0.000 0.224 630 A C 1.892 179.680 177.584 0.339 0.000 1.366 630 A CA 3.315 55.392 52.037 0.066 0.000 0.692 630 A CB -1.043 17.986 19.000 0.047 0.000 0.841 630 A HN 0.471 nan 8.150 nan 0.000 0.480 631 R N -0.770 119.988 120.500 0.431 0.000 2.346 631 R HA 0.276 4.614 4.340 -0.002 0.000 0.225 631 R C 0.621 176.929 176.300 0.014 0.000 0.987 631 R CA 0.946 57.112 56.100 0.109 0.000 1.106 631 R CB -0.202 29.960 30.300 -0.230 0.000 1.090 631 R HN 0.451 nan 8.270 nan 0.000 0.502 632 K N 0.941 121.391 120.400 0.084 0.000 2.619 632 K HA 0.178 4.497 4.320 -0.002 0.000 0.201 632 K C -0.490 176.158 176.600 0.080 0.000 1.090 632 K CA -0.467 55.876 56.287 0.093 0.000 1.063 632 K CB 0.590 33.125 32.500 0.058 0.000 0.810 632 K HN 0.221 nan 8.250 nan 0.000 0.506 633 I N -2.664 117.950 120.570 0.074 0.000 2.472 633 I HA 0.251 4.420 4.170 -0.002 0.000 0.290 633 I C 0.523 176.783 176.117 0.238 0.000 1.016 633 I CA -0.152 61.147 61.300 -0.002 0.000 1.348 633 I CB 0.529 38.445 38.000 -0.140 0.000 1.417 633 I HN -0.021 nan 8.210 nan 0.000 0.521 634 W N 4.758 125.995 121.300 -0.104 0.000 2.808 634 W HA 0.383 5.041 4.660 -0.002 0.000 0.266 634 W C 0.137 176.657 176.519 0.001 0.000 1.247 634 W CA 0.037 57.351 57.345 -0.052 0.000 1.440 634 W CB -0.050 29.363 29.460 -0.078 0.000 1.040 634 W HN 0.954 nan 8.180 nan 0.000 0.606 635 C N -2.822 116.603 119.300 0.208 0.000 3.249 635 C HA 0.582 5.040 4.460 -0.002 0.000 0.358 635 C C -0.742 174.378 174.990 0.217 0.000 1.187 635 C CA -1.856 57.323 59.018 0.268 0.000 1.170 635 C CB 0.129 28.022 27.740 0.255 0.000 1.478 635 C HN -0.053 nan 8.230 nan 0.000 0.508 636 F N 1.139 121.165 119.950 0.126 0.000 2.470 636 F HA 0.832 5.357 4.527 -0.002 0.000 0.329 636 F C 1.063 177.005 175.800 0.237 0.000 1.072 636 F CA 0.673 58.768 58.000 0.158 0.000 0.989 636 F CB 2.458 41.508 39.000 0.085 0.000 1.193 636 F HN 1.202 nan 8.300 nan 0.000 0.481 637 G N 1.414 110.476 108.800 0.438 0.000 2.623 637 G HA2 0.534 4.493 3.960 -0.002 0.000 0.290 637 G HA3 0.534 4.493 3.960 -0.002 0.000 0.290 637 G C -3.317 171.652 174.900 0.115 0.000 1.437 637 G CA -1.268 43.995 45.100 0.272 0.000 0.798 637 G HN 0.257 nan 8.290 nan 0.000 0.488 638 P HA 0.204 nan 4.420 nan 0.000 0.293 638 P C -0.536 176.802 177.300 0.062 0.000 1.298 638 P CA 0.171 63.283 63.100 0.019 0.000 0.757 638 P CB 0.614 32.295 31.700 -0.032 0.000 1.262 639 D N -1.635 118.794 120.400 0.049 0.000 2.751 639 D HA -0.209 4.430 4.640 -0.002 0.000 0.233 639 D C 1.161 177.500 176.300 0.064 0.000 1.149 639 D CA 1.563 55.590 54.000 0.044 0.000 0.682 639 D CB -1.806 39.007 40.800 0.022 0.000 1.068 639 D HN 0.845 nan 8.370 nan 0.000 0.429 640 G N 1.222 110.087 108.800 0.107 0.000 2.270 640 G HA2 -0.414 3.544 3.960 -0.002 0.000 0.268 640 G HA3 -0.414 3.544 3.960 -0.002 0.000 0.268 640 G C 0.618 175.590 174.900 0.120 0.000 0.982 640 G CA 1.191 46.365 45.100 0.123 0.000 0.628 640 G HN 0.698 nan 8.290 nan 0.000 0.544 641 N N -0.080 118.682 118.700 0.103 0.000 2.217 641 N HA 0.376 5.115 4.740 -0.002 0.000 0.239 641 N C 0.784 176.373 175.510 0.131 0.000 1.330 641 N CA 0.808 53.888 53.050 0.049 0.000 0.838 641 N CB -0.307 38.149 38.487 -0.052 0.000 1.287 641 N HN 0.742 nan 8.380 nan 0.000 0.498 642 G N 1.073 109.985 108.800 0.187 0.000 2.653 642 G HA2 0.323 4.281 3.960 -0.002 0.000 0.265 642 G HA3 0.323 4.281 3.960 -0.002 0.000 0.265 642 G C -2.127 172.912 174.900 0.232 0.000 1.237 642 G CA -1.162 44.035 45.100 0.161 0.000 0.946 642 G HN 0.082 nan 8.290 nan 0.000 0.522 643 P HA 0.142 nan 4.420 nan 0.000 0.218 643 P C -0.937 176.447 177.300 0.140 0.000 1.793 643 P CA -0.000 63.195 63.100 0.159 0.000 0.941 643 P CB -0.252 31.513 31.700 0.109 0.000 1.919 644 N N 1.277 120.083 118.700 0.176 0.000 2.369 644 N HA 0.377 5.115 4.740 -0.002 0.000 0.287 644 N C -0.760 174.861 175.510 0.186 0.000 1.067 644 N CA -0.490 52.690 53.050 0.216 0.000 0.888 644 N CB 2.274 40.919 38.487 0.262 0.000 1.616 644 N HN 0.069 nan 8.380 nan 0.000 0.482 645 L N 0.802 122.058 121.223 0.055 0.000 2.333 645 L HA 0.674 5.012 4.340 -0.002 0.000 0.269 645 L C -0.340 176.332 176.870 -0.330 0.000 1.010 645 L CA -1.135 53.571 54.840 -0.223 0.000 0.818 645 L CB 2.313 44.196 42.059 -0.294 0.000 1.306 645 L HN 0.132 nan 8.230 nan 0.000 0.430 646 V N 3.248 122.836 119.914 -0.544 0.000 2.305 646 V HA 0.369 4.488 4.120 -0.002 0.000 0.275 646 V C -0.216 175.618 176.094 -0.433 0.000 1.020 646 V CA -0.246 61.675 62.300 -0.630 0.000 0.811 646 V CB 1.331 32.631 31.823 -0.871 0.000 1.031 646 V HN 0.440 nan 8.190 nan 0.000 0.439 647 I N 3.709 124.089 120.570 -0.318 0.000 2.331 647 I HA 0.318 4.487 4.170 -0.002 0.000 0.292 647 I C 0.289 176.193 176.117 -0.355 0.000 0.998 647 I CA 0.021 61.172 61.300 -0.249 0.000 1.267 647 I CB 1.378 39.339 38.000 -0.067 0.000 1.386 647 I HN 0.515 nan 8.210 nan 0.000 0.476 648 D N 6.800 126.943 120.400 -0.428 0.000 2.336 648 D HA 0.112 4.751 4.640 -0.002 0.000 0.249 648 D C -0.243 175.950 176.300 -0.178 0.000 1.213 648 D CA 0.157 53.889 54.000 -0.447 0.000 0.870 648 D CB 0.813 41.365 40.800 -0.413 0.000 1.076 648 D HN 0.499 nan 8.370 nan 0.000 0.483 649 Q N 2.507 122.211 119.800 -0.161 0.000 2.141 649 Q HA 0.123 4.462 4.340 -0.002 0.000 0.248 649 Q C 0.267 176.223 176.000 -0.073 0.000 0.834 649 Q CA -0.351 55.401 55.803 -0.084 0.000 1.096 649 Q CB 0.772 29.468 28.738 -0.072 0.000 1.189 649 Q HN 0.568 nan 8.270 nan 0.000 0.471 650 T N -2.727 111.784 114.554 -0.072 0.000 2.849 650 T HA 0.335 4.683 4.350 -0.002 0.000 0.284 650 T C 0.813 175.498 174.700 -0.026 0.000 1.004 650 T CA -0.431 61.637 62.100 -0.053 0.000 1.021 650 T CB 1.928 70.776 68.868 -0.032 0.000 1.013 650 T HN 0.042 nan 8.240 nan 0.000 0.527 651 K N 0.255 120.635 120.400 -0.033 0.000 2.354 651 K HA 0.438 4.756 4.320 -0.002 0.000 0.210 651 K C 1.108 177.697 176.600 -0.018 0.000 1.184 651 K CA 0.195 56.467 56.287 -0.024 0.000 0.880 651 K CB 0.494 32.973 32.500 -0.035 0.000 1.328 651 K HN 0.624 nan 8.250 nan 0.000 0.466 652 A N 1.897 124.699 122.820 -0.030 0.000 3.113 652 A HA 0.336 4.655 4.320 -0.002 0.000 0.307 652 A C -0.596 176.968 177.584 -0.033 0.000 1.025 652 A CA -0.392 51.627 52.037 -0.031 0.000 1.012 652 A CB 0.288 19.264 19.000 -0.040 0.000 1.085 652 A HN -0.010 nan 8.150 nan 0.000 0.519 653 V N 1.567 121.474 119.914 -0.011 0.000 2.353 653 V HA 0.057 4.175 4.120 -0.002 0.000 0.264 653 V C 1.542 177.618 176.094 -0.032 0.000 1.049 653 V CA 0.088 62.386 62.300 -0.002 0.000 0.896 653 V CB 0.804 32.654 31.823 0.046 0.000 1.025 653 V HN 0.932 nan 8.190 nan 0.000 0.475 654 Q N 4.000 123.720 119.800 -0.133 0.000 2.014 654 Q HA -0.200 4.138 4.340 -0.002 0.000 0.207 654 Q C 0.509 176.282 176.000 -0.378 0.000 0.993 654 Q CA 2.179 57.783 55.803 -0.331 0.000 0.850 654 Q CB 0.014 28.378 28.738 -0.624 0.000 0.916 654 Q HN 0.830 nan 8.270 nan 0.000 0.417 655 Y N 0.197 120.486 120.300 -0.018 0.000 2.718 655 Y HA 0.082 4.631 4.550 -0.002 0.000 0.322 655 Y C 1.024 176.804 175.900 -0.200 0.000 1.122 655 Y CA -0.442 57.560 58.100 -0.162 0.000 1.348 655 Y CB -0.007 38.390 38.460 -0.106 0.000 1.174 655 Y HN 0.222 nan 8.280 nan 0.000 0.523 656 L N 1.100 122.338 121.223 0.025 0.000 1.944 656 L HA -0.278 4.061 4.340 -0.002 0.000 0.218 656 L C 2.906 179.797 176.870 0.036 0.000 1.075 656 L CA 2.201 57.111 54.840 0.118 0.000 0.767 656 L CB -0.918 41.264 42.059 0.203 0.000 0.890 656 L HN 0.558 nan 8.230 nan 0.000 0.434 657 H N -1.232 117.866 119.070 0.048 0.000 2.538 657 H HA -0.156 4.399 4.556 -0.002 0.000 0.294 657 H C 1.525 176.830 175.328 -0.038 0.000 1.083 657 H CA 1.508 57.522 56.048 -0.057 0.000 1.233 657 H CB -0.587 29.144 29.762 -0.052 0.000 1.360 657 H HN 0.597 nan 8.280 nan 0.000 0.571 658 E N 1.027 120.957 120.200 -0.449 0.000 2.230 658 E HA -0.001 4.348 4.350 -0.002 0.000 0.192 658 E C 2.341 178.888 176.600 -0.088 0.000 0.987 658 E CA 0.982 57.231 56.400 -0.253 0.000 0.841 658 E CB 0.212 29.788 29.700 -0.206 0.000 0.783 658 E HN 0.761 nan 8.360 nan 0.000 0.481 659 I N -1.840 118.716 120.570 -0.022 0.000 3.783 659 I HA 0.120 4.289 4.170 -0.002 0.000 0.310 659 I C 2.171 178.326 176.117 0.062 0.000 1.274 659 I CA -0.031 61.300 61.300 0.051 0.000 1.294 659 I CB 0.053 38.128 38.000 0.125 0.000 1.051 659 I HN -0.155 nan 8.210 nan 0.000 0.435 660 K N 2.346 122.697 120.400 -0.082 0.000 2.001 660 K HA -0.311 4.008 4.320 -0.002 0.000 0.223 660 K C 1.560 178.094 176.600 -0.110 0.000 1.055 660 K CA 2.941 59.017 56.287 -0.352 0.000 0.965 660 K CB -0.319 31.696 32.500 -0.809 0.000 0.730 660 K HN 0.240 nan 8.250 nan 0.000 0.449 661 D N -0.269 120.065 120.400 -0.110 0.000 2.220 661 D HA -0.168 4.471 4.640 -0.002 0.000 0.198 661 D C 1.890 178.217 176.300 0.044 0.000 1.001 661 D CA 1.460 55.441 54.000 -0.031 0.000 0.875 661 D CB -0.186 40.593 40.800 -0.034 0.000 0.921 661 D HN 0.227 nan 8.370 nan 0.000 0.454 662 S N -1.038 114.702 115.700 0.066 0.000 2.325 662 S HA -0.068 4.401 4.470 -0.002 0.000 0.214 662 S C 2.252 176.951 174.600 0.166 0.000 1.031 662 S CA 0.559 58.822 58.200 0.104 0.000 0.972 662 S CB -0.254 63.002 63.200 0.093 0.000 0.908 662 S HN 0.067 nan 8.310 nan 0.000 0.453 663 V N 1.855 121.901 119.914 0.221 0.000 2.363 663 V HA -0.198 3.921 4.120 -0.002 0.000 0.254 663 V C 2.229 178.501 176.094 0.295 0.000 1.074 663 V CA 1.599 64.066 62.300 0.278 0.000 1.069 663 V CB -0.868 31.213 31.823 0.430 0.000 0.659 663 V HN 0.286 nan 8.190 nan 0.000 0.455 664 V N -0.022 120.064 119.914 0.287 0.000 2.244 664 V HA -0.242 3.876 4.120 -0.002 0.000 0.244 664 V C 2.695 178.947 176.094 0.264 0.000 1.042 664 V CA 2.109 64.575 62.300 0.276 0.000 1.006 664 V CB -1.067 30.873 31.823 0.194 0.000 0.641 664 V HN 0.573 nan 8.190 nan 0.000 0.446 665 A N -0.337 122.598 122.820 0.191 0.000 2.032 665 A HA -0.164 4.154 4.320 -0.002 0.000 0.221 665 A C 2.325 180.052 177.584 0.238 0.000 1.165 665 A CA 2.211 54.349 52.037 0.168 0.000 0.645 665 A CB -0.661 18.402 19.000 0.106 0.000 0.807 665 A HN 0.615 nan 8.150 nan 0.000 0.453 666 A N -1.392 121.586 122.820 0.264 0.000 1.872 666 A HA 0.056 4.375 4.320 -0.002 0.000 0.214 666 A C 1.999 179.731 177.584 0.247 0.000 1.187 666 A CA 1.405 53.610 52.037 0.280 0.000 0.614 666 A CB -0.649 18.465 19.000 0.190 0.000 0.826 666 A HN 0.592 nan 8.150 nan 0.000 0.442 667 F N 0.651 120.667 119.950 0.109 0.000 2.171 667 F HA -0.153 4.372 4.527 -0.002 0.000 0.300 667 F C 2.354 178.219 175.800 0.109 0.000 1.090 667 F CA 1.842 59.890 58.000 0.080 0.000 1.293 667 F CB -0.052 39.001 39.000 0.088 0.000 1.013 667 F HN 0.189 nan 8.300 nan 0.000 0.486 668 Q N -1.108 118.822 119.800 0.217 0.000 2.364 668 Q HA -0.207 4.131 4.340 -0.002 0.000 0.207 668 Q C 1.792 177.857 176.000 0.109 0.000 0.970 668 Q CA 1.047 56.923 55.803 0.122 0.000 0.888 668 Q CB -0.714 28.117 28.738 0.155 0.000 0.951 668 Q HN 0.653 nan 8.270 nan 0.000 0.469 669 W N 0.762 122.008 121.300 -0.090 0.000 2.633 669 W HA 0.201 4.859 4.660 -0.002 0.000 0.295 669 W C 2.120 178.552 176.519 -0.145 0.000 1.133 669 W CA 1.120 58.405 57.345 -0.099 0.000 1.490 669 W CB -0.862 28.551 29.460 -0.078 0.000 1.127 669 W HN 0.021 nan 8.180 nan 0.000 0.538 670 A N 0.733 123.475 122.820 -0.129 0.000 1.873 670 A HA -0.300 4.018 4.320 -0.002 0.000 0.218 670 A C 1.997 179.444 177.584 -0.227 0.000 1.193 670 A CA 3.769 55.641 52.037 -0.275 0.000 0.629 670 A CB -1.692 17.109 19.000 -0.331 0.000 0.826 670 A HN 0.439 nan 8.150 nan 0.000 0.447 671 T N -3.039 111.289 114.554 -0.377 0.000 3.072 671 T HA -0.030 4.319 4.350 -0.002 0.000 0.266 671 T C 1.619 176.202 174.700 -0.195 0.000 1.127 671 T CA 1.599 63.486 62.100 -0.354 0.000 1.107 671 T CB -0.057 68.507 68.868 -0.506 0.000 0.910 671 T HN 0.359 nan 8.240 nan 0.000 0.513 672 K N 1.895 122.233 120.400 -0.103 0.000 2.137 672 K HA 0.101 4.420 4.320 -0.002 0.000 0.202 672 K C 0.427 176.982 176.600 -0.075 0.000 1.052 672 K CA 0.829 57.083 56.287 -0.055 0.000 0.961 672 K CB 0.203 32.714 32.500 0.019 0.000 0.741 672 K HN 0.559 nan 8.250 nan 0.000 0.452 673 E N 0.217 120.384 120.200 -0.055 0.000 2.518 673 E HA 0.294 4.642 4.350 -0.002 0.000 0.240 673 E C -0.599 175.903 176.600 -0.163 0.000 0.996 673 E CA -0.540 55.803 56.400 -0.095 0.000 0.768 673 E CB 1.286 30.988 29.700 0.005 0.000 1.329 673 E HN 0.305 nan 8.360 nan 0.000 0.408 674 G N 2.911 111.531 108.800 -0.299 0.000 2.699 674 G HA2 0.039 3.998 3.960 -0.002 0.000 0.246 674 G HA3 0.039 3.998 3.960 -0.002 0.000 0.246 674 G C -1.159 173.341 174.900 -0.666 0.000 1.219 674 G CA -0.776 44.005 45.100 -0.531 0.000 0.866 674 G HN 0.262 nan 8.290 nan 0.000 0.572 675 P HA -0.068 nan 4.420 nan 0.000 0.220 675 P C 1.962 179.039 177.300 -0.372 0.000 1.152 675 P CA 0.786 63.247 63.100 -1.065 0.000 0.812 675 P CB 0.255 31.126 31.700 -1.382 0.000 0.792 676 I N 0.121 120.579 120.570 -0.186 0.000 2.076 676 I HA -0.199 3.970 4.170 -0.002 0.000 0.237 676 I C 1.859 178.134 176.117 0.263 0.000 1.059 676 I CA 2.112 63.479 61.300 0.112 0.000 1.317 676 I CB -0.619 37.556 38.000 0.292 0.000 1.037 676 I HN -0.021 nan 8.210 nan 0.000 0.398 677 F N -1.561 118.325 119.950 -0.107 0.000 2.656 677 F HA 0.584 5.109 4.527 -0.002 0.000 0.363 677 F C 0.706 176.455 175.800 -0.084 0.000 1.313 677 F CA -0.156 57.806 58.000 -0.062 0.000 1.089 677 F CB 0.004 39.007 39.000 0.004 0.000 1.247 677 F HN 0.132 nan 8.300 nan 0.000 0.509 678 G N 0.215 108.906 108.800 -0.181 0.000 2.159 678 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.256 678 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.256 678 G C 0.063 174.760 174.900 -0.339 0.000 0.977 678 G CA 0.180 45.134 45.100 -0.243 0.000 0.652 678 G HN 0.435 nan 8.290 nan 0.000 0.531 679 E N 0.557 120.456 120.200 -0.503 0.000 2.342 679 E HA 0.317 4.665 4.350 -0.002 0.000 0.257 679 E C 0.616 177.041 176.600 -0.292 0.000 1.150 679 E CA -0.439 55.693 56.400 -0.446 0.000 0.926 679 E CB 0.508 29.861 29.700 -0.578 0.000 1.074 679 E HN 0.541 nan 8.360 nan 0.000 0.449 680 E N 0.985 121.040 120.200 -0.243 0.000 2.360 680 E HA 0.061 4.409 4.350 -0.002 0.000 0.269 680 E C -0.056 176.420 176.600 -0.206 0.000 1.022 680 E CA 0.044 56.319 56.400 -0.207 0.000 0.887 680 E CB 0.640 30.226 29.700 -0.190 0.000 0.990 680 E HN 0.227 nan 8.360 nan 0.000 0.426 681 M N 2.507 122.003 119.600 -0.174 0.000 2.247 681 M HA 0.353 4.832 4.480 -0.002 0.000 0.326 681 M C 0.208 176.451 176.300 -0.095 0.000 1.134 681 M CA 0.179 55.421 55.300 -0.097 0.000 1.136 681 M CB 0.943 33.502 32.600 -0.069 0.000 1.454 681 M HN 0.313 nan 8.290 nan 0.000 0.467 682 R N -0.469 120.004 120.500 -0.045 0.000 2.584 682 R HA 0.301 4.640 4.340 -0.002 0.000 0.276 682 R C -0.840 175.466 176.300 0.010 0.000 1.046 682 R CA -0.127 55.934 56.100 -0.065 0.000 0.906 682 R CB 1.502 31.677 30.300 -0.208 0.000 1.215 682 R HN 0.845 nan 8.270 nan 0.000 0.449 683 S N 0.516 116.239 115.700 0.040 0.000 3.698 683 S HA -0.127 4.341 4.470 -0.002 0.000 0.338 683 S C -0.489 174.154 174.600 0.071 0.000 1.089 683 S CA 0.839 59.075 58.200 0.060 0.000 0.991 683 S CB -1.281 61.944 63.200 0.042 0.000 0.909 683 S HN 0.362 nan 8.310 nan 0.000 0.485 684 V N 1.729 121.709 119.914 0.110 0.000 2.370 684 V HA 0.496 4.615 4.120 -0.002 0.000 0.283 684 V C 0.479 176.677 176.094 0.174 0.000 1.023 684 V CA -0.535 61.849 62.300 0.141 0.000 0.857 684 V CB 1.623 33.577 31.823 0.219 0.000 0.985 684 V HN 0.441 nan 8.190 nan 0.000 0.443 685 R N 4.273 124.842 120.500 0.116 0.000 2.310 685 R HA 0.677 5.015 4.340 -0.002 0.000 0.324 685 R C -1.619 174.718 176.300 0.061 0.000 0.955 685 R CA -0.373 55.784 56.100 0.095 0.000 0.830 685 R CB 1.671 32.020 30.300 0.083 0.000 1.154 685 R HN 0.522 nan 8.270 nan 0.000 0.458 686 V N 4.977 124.910 119.914 0.031 0.000 2.398 686 V HA 0.303 4.422 4.120 -0.002 0.000 0.286 686 V C -0.495 175.535 176.094 -0.107 0.000 1.026 686 V CA -0.873 61.422 62.300 -0.007 0.000 0.868 686 V CB 1.615 33.462 31.823 0.040 0.000 0.982 686 V HN 0.747 nan 8.190 nan 0.000 0.443 687 N N 4.228 122.878 118.700 -0.084 0.000 2.417 687 N HA 0.502 5.241 4.740 -0.002 0.000 0.274 687 N C -0.778 174.658 175.510 -0.123 0.000 0.987 687 N CA -0.430 52.552 53.050 -0.113 0.000 0.912 687 N CB 1.921 40.365 38.487 -0.072 0.000 1.177 687 N HN 0.445 nan 8.380 nan 0.000 0.490 688 I N 3.023 123.478 120.570 -0.191 0.000 2.291 688 I HA 0.119 4.288 4.170 -0.002 0.000 0.292 688 I C 1.657 177.700 176.117 -0.123 0.000 1.064 688 I CA -0.014 61.186 61.300 -0.166 0.000 1.269 688 I CB 0.632 38.465 38.000 -0.279 0.000 1.418 688 I HN 0.412 nan 8.210 nan 0.000 0.485 689 L N 3.666 124.851 121.223 -0.064 0.000 2.291 689 L HA 0.092 4.430 4.340 -0.002 0.000 0.214 689 L C 0.300 177.113 176.870 -0.096 0.000 1.120 689 L CA 0.692 55.493 54.840 -0.065 0.000 0.799 689 L CB -0.298 41.741 42.059 -0.033 0.000 0.925 689 L HN 0.731 nan 8.230 nan 0.000 0.446 690 D N -2.232 118.109 120.400 -0.098 0.000 2.798 690 D HA 0.381 5.020 4.640 -0.002 0.000 0.265 690 D C -1.517 174.736 176.300 -0.077 0.000 1.223 690 D CA -0.366 53.544 54.000 -0.150 0.000 0.743 690 D CB 1.669 42.275 40.800 -0.322 0.000 1.276 690 D HN -0.291 nan 8.370 nan 0.000 0.421 691 V N 0.550 120.433 119.914 -0.051 0.000 2.932 691 V HA 0.742 4.860 4.120 -0.002 0.000 0.307 691 V C -0.672 175.455 176.094 0.054 0.000 1.147 691 V CA -0.317 62.017 62.300 0.058 0.000 0.951 691 V CB 2.057 33.931 31.823 0.084 0.000 1.031 691 V HN 0.842 nan 8.190 nan 0.000 0.426 692 T N 3.341 117.970 114.554 0.126 0.000 2.812 692 T HA 0.840 5.189 4.350 -0.002 0.000 0.282 692 T C -0.926 173.860 174.700 0.144 0.000 0.990 692 T CA -0.498 61.669 62.100 0.112 0.000 0.960 692 T CB 0.951 69.895 68.868 0.127 0.000 0.948 692 T HN 0.415 nan 8.240 nan 0.000 0.438 693 L N 2.445 123.756 121.223 0.147 0.000 2.286 693 L HA 0.570 4.908 4.340 -0.002 0.000 0.265 693 L C 0.335 177.319 176.870 0.189 0.000 1.012 693 L CA -1.541 53.412 54.840 0.189 0.000 0.818 693 L CB 1.668 43.868 42.059 0.235 0.000 1.337 693 L HN 0.700 nan 8.230 nan 0.000 0.438 694 H N 0.456 119.572 119.070 0.077 0.000 2.525 694 H HA 0.226 4.781 4.556 -0.002 0.000 0.339 694 H C 0.524 175.865 175.328 0.021 0.000 1.109 694 H CA 0.321 56.367 56.048 -0.003 0.000 1.352 694 H CB 2.104 31.822 29.762 -0.073 0.000 1.461 694 H HN 0.773 nan 8.280 nan 0.000 0.533 695 A N 4.723 127.472 122.820 -0.118 0.000 1.903 695 A HA -0.167 4.151 4.320 -0.002 0.000 0.219 695 A C 0.799 178.394 177.584 0.019 0.000 1.191 695 A CA 1.524 53.613 52.037 0.087 0.000 0.638 695 A CB -0.226 18.744 19.000 -0.050 0.000 0.823 695 A HN 0.774 nan 8.150 nan 0.000 0.451 696 D N -1.259 119.314 120.400 0.289 0.000 2.255 696 D HA 0.480 5.118 4.640 -0.002 0.000 0.249 696 D C 0.950 177.133 176.300 -0.195 0.000 1.078 696 D CA 0.593 54.586 54.000 -0.010 0.000 0.896 696 D CB 1.565 42.365 40.800 -0.001 0.000 1.194 696 D HN 0.194 nan 8.370 nan 0.000 0.429 697 A N 2.638 125.277 122.820 -0.301 0.000 2.168 697 A HA -0.110 4.208 4.320 -0.002 0.000 0.215 697 A C 1.818 179.254 177.584 -0.247 0.000 1.152 697 A CA 0.395 52.264 52.037 -0.281 0.000 0.716 697 A CB -0.224 18.626 19.000 -0.249 0.000 0.794 697 A HN 0.511 nan 8.150 nan 0.000 0.465 698 I N -0.714 119.646 120.570 -0.351 0.000 3.176 698 I HA -0.080 4.089 4.170 -0.002 0.000 0.275 698 I C 0.927 176.697 176.117 -0.577 0.000 1.298 698 I CA 0.929 61.952 61.300 -0.462 0.000 1.445 698 I CB -0.196 37.468 38.000 -0.560 0.000 1.075 698 I HN 0.387 nan 8.210 nan 0.000 0.482 699 H N -0.293 118.668 119.070 -0.182 0.000 2.767 699 H HA 0.403 4.958 4.556 -0.002 0.000 0.260 699 H C 0.551 175.838 175.328 -0.069 0.000 1.172 699 H CA -0.027 55.926 56.048 -0.158 0.000 1.048 699 H CB 0.298 29.858 29.762 -0.336 0.000 1.697 699 H HN 0.279 nan 8.280 nan 0.000 0.606 700 R N 0.403 120.907 120.500 0.006 0.000 2.629 700 R HA 0.258 4.596 4.340 -0.002 0.000 0.408 700 R C 1.079 177.383 176.300 0.007 0.000 1.057 700 R CA -0.172 55.946 56.100 0.029 0.000 1.119 700 R CB 1.361 31.665 30.300 0.007 0.000 1.403 700 R HN 0.051 nan 8.270 nan 0.000 0.576 701 G N -0.132 108.665 108.800 -0.004 0.000 2.527 701 G HA2 0.120 4.079 3.960 -0.002 0.000 0.279 701 G HA3 0.120 4.079 3.960 -0.002 0.000 0.279 701 G C 1.002 175.914 174.900 0.020 0.000 1.374 701 G CA 0.088 45.184 45.100 -0.007 0.000 1.053 701 G HN 0.196 nan 8.290 nan 0.000 0.539 702 G N -0.397 108.414 108.800 0.017 0.000 2.434 702 G HA2 0.079 4.037 3.960 -0.002 0.000 0.214 702 G HA3 0.079 4.037 3.960 -0.002 0.000 0.214 702 G C 1.709 176.638 174.900 0.049 0.000 1.202 702 G CA 1.188 46.309 45.100 0.034 0.000 0.788 702 G HN 1.061 nan 8.290 nan 0.000 0.539 703 G N -0.753 108.071 108.800 0.040 0.000 2.740 703 G HA2 0.098 4.057 3.960 -0.002 0.000 0.208 703 G HA3 0.098 4.057 3.960 -0.002 0.000 0.208 703 G C 1.524 176.458 174.900 0.056 0.000 1.148 703 G CA 0.573 45.703 45.100 0.049 0.000 0.795 703 G HN 0.380 nan 8.290 nan 0.000 0.526 704 Q N -0.867 118.969 119.800 0.059 0.000 2.422 704 Q HA 0.204 4.543 4.340 -0.002 0.000 0.255 704 Q C 2.236 178.278 176.000 0.070 0.000 0.864 704 Q CA 0.009 55.850 55.803 0.063 0.000 0.968 704 Q CB 0.296 29.075 28.738 0.069 0.000 1.130 704 Q HN 0.444 nan 8.270 nan 0.000 0.556 705 I N 0.588 121.202 120.570 0.075 0.000 2.556 705 I HA -0.029 4.140 4.170 -0.002 0.000 0.251 705 I C 2.386 178.556 176.117 0.089 0.000 1.105 705 I CA 0.502 61.852 61.300 0.084 0.000 1.436 705 I CB -0.951 37.104 38.000 0.091 0.000 1.139 705 I HN 0.055 nan 8.210 nan 0.000 0.438 706 I N 2.046 122.680 120.570 0.106 0.000 2.091 706 I HA -0.289 3.880 4.170 -0.002 0.000 0.240 706 I C -0.296 175.888 176.117 0.112 0.000 1.046 706 I CA 2.291 63.678 61.300 0.145 0.000 1.306 706 I CB -2.039 36.072 38.000 0.185 0.000 1.018 706 I HN 0.139 nan 8.210 nan 0.000 0.404 707 P HA -0.105 nan 4.420 nan 0.000 0.218 707 P C 1.560 178.841 177.300 -0.031 0.000 1.149 707 P CA 1.545 64.655 63.100 0.017 0.000 0.817 707 P CB -0.133 31.599 31.700 0.054 0.000 0.785 708 T N -1.046 113.515 114.554 0.010 0.000 2.746 708 T HA -0.180 4.169 4.350 -0.002 0.000 0.267 708 T C 1.734 176.422 174.700 -0.020 0.000 1.039 708 T CA 1.412 63.514 62.100 0.003 0.000 1.142 708 T CB -0.688 68.199 68.868 0.033 0.000 0.866 708 T HN 0.030 nan 8.240 nan 0.000 0.444 709 M N 1.262 120.860 119.600 -0.003 0.000 2.123 709 M HA 0.129 4.607 4.480 -0.002 0.000 0.263 709 M C 2.236 178.477 176.300 -0.099 0.000 1.069 709 M CA 1.288 56.586 55.300 -0.004 0.000 1.133 709 M CB -0.546 32.094 32.600 0.066 0.000 1.356 709 M HN 0.019 nan 8.290 nan 0.000 0.415 710 R N -0.404 119.979 120.500 -0.196 0.000 2.097 710 R HA -0.207 4.131 4.340 -0.002 0.000 0.236 710 R C 2.334 178.265 176.300 -0.616 0.000 1.135 710 R CA 2.304 58.095 56.100 -0.514 0.000 0.934 710 R CB -0.234 29.632 30.300 -0.722 0.000 0.846 710 R HN 0.383 nan 8.270 nan 0.000 0.431 711 R N -0.335 119.946 120.500 -0.365 0.000 2.073 711 R HA -0.092 4.246 4.340 -0.002 0.000 0.234 711 R C 2.408 178.667 176.300 -0.068 0.000 1.134 711 R CA 1.388 57.384 56.100 -0.174 0.000 0.952 711 R CB -0.449 29.865 30.300 0.023 0.000 0.850 711 R HN 0.309 nan 8.270 nan 0.000 0.433 712 A N 0.571 123.356 122.820 -0.059 0.000 1.903 712 A HA -0.243 4.076 4.320 -0.002 0.000 0.219 712 A C 2.208 179.795 177.584 0.006 0.000 1.191 712 A CA 2.390 54.410 52.037 -0.028 0.000 0.638 712 A CB -1.134 17.844 19.000 -0.035 0.000 0.823 712 A HN 0.363 nan 8.150 nan 0.000 0.451 713 T N -1.229 113.320 114.554 -0.008 0.000 2.674 713 T HA -0.159 4.190 4.350 -0.002 0.000 0.265 713 T C 1.825 176.615 174.700 0.149 0.000 1.039 713 T CA 1.609 63.755 62.100 0.077 0.000 1.150 713 T CB -0.500 68.413 68.868 0.076 0.000 0.864 713 T HN 0.442 nan 8.240 nan 0.000 0.427 714 Y N 1.825 122.010 120.300 -0.191 0.000 2.102 714 Y HA -0.162 4.386 4.550 -0.002 0.000 0.280 714 Y C 2.857 178.701 175.900 -0.093 0.000 1.178 714 Y CA 0.395 58.290 58.100 -0.342 0.000 1.146 714 Y CB -1.481 36.448 38.460 -0.886 0.000 0.968 714 Y HN 0.226 nan 8.280 nan 0.000 0.504 715 A N -0.052 122.876 122.820 0.180 0.000 1.851 715 A HA -0.186 4.133 4.320 -0.002 0.000 0.216 715 A C 2.724 180.419 177.584 0.185 0.000 1.195 715 A CA 2.239 54.463 52.037 0.312 0.000 0.622 715 A CB -1.509 17.671 19.000 0.301 0.000 0.831 715 A HN 0.475 nan 8.150 nan 0.000 0.444 716 G N -1.547 107.318 108.800 0.109 0.000 2.440 716 G HA2 -0.246 3.712 3.960 -0.002 0.000 0.218 716 G HA3 -0.246 3.712 3.960 -0.002 0.000 0.218 716 G C 1.478 176.414 174.900 0.059 0.000 1.154 716 G CA 1.149 46.272 45.100 0.039 0.000 0.767 716 G HN 0.487 nan 8.290 nan 0.000 0.552 717 F N 0.764 120.714 119.950 -0.001 0.000 2.065 717 F HA -0.129 4.397 4.527 -0.002 0.000 0.298 717 F C 2.329 178.121 175.800 -0.012 0.000 1.112 717 F CA 1.236 59.229 58.000 -0.012 0.000 1.212 717 F CB -0.117 38.865 39.000 -0.030 0.000 0.975 717 F HN 0.032 nan 8.300 nan 0.000 0.476 718 L N 0.158 121.546 121.223 0.275 0.000 2.275 718 L HA -0.135 4.204 4.340 -0.002 0.000 0.215 718 L C 2.082 178.979 176.870 0.045 0.000 1.119 718 L CA 1.343 56.319 54.840 0.226 0.000 0.790 718 L CB -1.275 41.033 42.059 0.414 0.000 0.919 718 L HN 0.264 nan 8.230 nan 0.000 0.443 719 L N -1.005 120.158 121.223 -0.100 0.000 2.478 719 L HA 0.031 4.370 4.340 -0.002 0.000 0.223 719 L C 1.779 178.536 176.870 -0.189 0.000 1.140 719 L CA 0.400 55.077 54.840 -0.272 0.000 0.842 719 L CB -0.351 41.482 42.059 -0.376 0.000 0.953 719 L HN 0.182 nan 8.230 nan 0.000 0.452 720 A N -0.669 122.038 122.820 -0.189 0.000 2.579 720 A HA 0.088 4.407 4.320 -0.002 0.000 0.273 720 A C 0.286 177.746 177.584 -0.207 0.000 1.363 720 A CA -0.149 51.764 52.037 -0.207 0.000 0.953 720 A CB -0.462 18.385 19.000 -0.256 0.000 1.034 720 A HN 0.385 nan 8.150 nan 0.000 0.536 721 D N -0.734 119.578 120.400 -0.147 0.000 2.927 721 D HA -0.099 4.540 4.640 -0.002 0.000 0.236 721 D C -2.495 173.720 176.300 -0.143 0.000 1.163 721 D CA 0.378 54.314 54.000 -0.106 0.000 0.801 721 D CB -1.010 39.739 40.800 -0.085 0.000 0.975 721 D HN 0.312 nan 8.370 nan 0.000 0.413 722 P HA 0.235 nan 4.420 nan 0.000 0.269 722 P C -0.131 177.140 177.300 -0.048 0.000 1.211 722 P CA 0.250 63.254 63.100 -0.160 0.000 0.781 722 P CB 0.601 32.300 31.700 -0.002 0.000 0.877 723 K N 0.522 120.920 120.400 -0.004 0.000 2.499 723 K HA 0.713 5.032 4.320 -0.002 0.000 0.284 723 K C -0.996 175.664 176.600 0.099 0.000 1.039 723 K CA -0.707 55.600 56.287 0.034 0.000 0.873 723 K CB 1.142 33.651 32.500 0.015 0.000 1.545 723 K HN 0.491 nan 8.250 nan 0.000 0.402 724 I N -2.252 118.382 120.570 0.107 0.000 2.894 724 I HA 0.544 4.713 4.170 -0.002 0.000 0.302 724 I C -1.271 174.967 176.117 0.202 0.000 1.188 724 I CA -0.859 60.545 61.300 0.174 0.000 1.014 724 I CB 2.397 40.508 38.000 0.185 0.000 1.242 724 I HN 0.277 nan 8.210 nan 0.000 0.430 725 Q N 3.321 123.287 119.800 0.276 0.000 2.309 725 Q HA 0.456 4.794 4.340 -0.002 0.000 0.264 725 Q C -1.256 175.139 176.000 0.658 0.000 1.008 725 Q CA -0.793 55.236 55.803 0.377 0.000 0.853 725 Q CB 2.782 31.705 28.738 0.308 0.000 1.314 725 Q HN 0.762 nan 8.270 nan 0.000 0.448 726 E N 1.398 121.973 120.200 0.624 0.000 2.207 726 E HA 0.576 4.925 4.350 -0.002 0.000 0.270 726 E C -2.713 174.066 176.600 0.300 0.000 0.927 726 E CA -2.381 54.386 56.400 0.612 0.000 0.799 726 E CB 1.581 31.582 29.700 0.502 0.000 1.172 726 E HN 0.150 nan 8.360 nan 0.000 0.404 727 P HA 0.123 nan 4.420 nan 0.000 0.274 727 P C -0.992 176.081 177.300 -0.377 0.000 1.237 727 P CA -0.427 62.398 63.100 -0.459 0.000 0.793 727 P CB 0.828 32.191 31.700 -0.560 0.000 0.977 728 V N 2.531 122.071 119.914 -0.623 0.000 2.668 728 V HA 0.327 4.445 4.120 -0.002 0.000 0.304 728 V C -0.279 175.430 176.094 -0.641 0.000 1.071 728 V CA -0.440 61.486 62.300 -0.624 0.000 0.894 728 V CB 1.145 32.449 31.823 -0.865 0.000 1.008 728 V HN 0.360 nan 8.190 nan 0.000 0.425 729 F N 3.921 123.702 119.950 -0.281 0.000 2.390 729 F HA 0.631 5.157 4.527 -0.002 0.000 0.307 729 F C 0.142 175.877 175.800 -0.109 0.000 1.227 729 F CA -0.626 57.264 58.000 -0.185 0.000 1.179 729 F CB 0.960 39.886 39.000 -0.124 0.000 1.280 729 F HN 0.360 nan 8.300 nan 0.000 0.548 730 L N 2.112 123.447 121.223 0.188 0.000 2.442 730 L HA 0.523 4.862 4.340 -0.002 0.000 0.261 730 L C -1.315 175.567 176.870 0.020 0.000 1.000 730 L CA -0.449 54.465 54.840 0.124 0.000 0.882 730 L CB 0.723 42.862 42.059 0.133 0.000 1.207 730 L HN 0.247 nan 8.230 nan 0.000 0.443 731 V N 3.438 123.322 119.914 -0.051 0.000 2.649 731 V HA 0.451 4.570 4.120 -0.002 0.000 0.292 731 V C 0.179 176.241 176.094 -0.053 0.000 1.055 731 V CA -0.452 61.796 62.300 -0.087 0.000 1.023 731 V CB 1.528 33.260 31.823 -0.151 0.000 0.992 731 V HN 0.801 nan 8.190 nan 0.000 0.480 732 E N 3.713 123.903 120.200 -0.016 0.000 2.210 732 E HA 0.603 4.952 4.350 -0.002 0.000 0.266 732 E C -1.611 175.018 176.600 0.048 0.000 0.883 732 E CA -0.619 55.786 56.400 0.008 0.000 0.761 732 E CB 1.428 31.140 29.700 0.019 0.000 1.156 732 E HN 0.505 nan 8.360 nan 0.000 0.412 733 I N 2.904 123.505 120.570 0.052 0.000 2.647 733 I HA 0.329 4.498 4.170 -0.002 0.000 0.295 733 I C -0.721 175.459 176.117 0.105 0.000 1.078 733 I CA -0.872 60.475 61.300 0.078 0.000 1.048 733 I CB 1.768 39.789 38.000 0.034 0.000 1.239 733 I HN 0.582 nan 8.210 nan 0.000 0.421 734 Q N 3.801 123.700 119.800 0.164 0.000 2.353 734 Q HA 0.734 5.072 4.340 -0.002 0.000 0.268 734 Q C -0.882 175.183 176.000 0.109 0.000 1.045 734 Q CA -0.243 55.682 55.803 0.204 0.000 0.811 734 Q CB 2.475 31.409 28.738 0.326 0.000 1.305 734 Q HN 0.880 nan 8.270 nan 0.000 0.447 735 C N 0.530 119.893 119.300 0.105 0.000 3.224 735 C HA 0.661 5.120 4.460 -0.002 0.000 0.348 735 C C -2.957 172.098 174.990 0.107 0.000 1.242 735 C CA -1.763 57.263 59.018 0.014 0.000 1.180 735 C CB 0.662 28.337 27.740 -0.108 0.000 1.458 735 C HN 0.603 nan 8.230 nan 0.000 0.485 736 P HA 0.187 nan 4.420 nan 0.000 0.269 736 P C 0.869 178.276 177.300 0.178 0.000 1.209 736 P CA 0.457 63.600 63.100 0.072 0.000 0.776 736 P CB 0.511 32.206 31.700 -0.007 0.000 0.876 737 E N 2.778 123.146 120.200 0.280 0.000 2.169 737 E HA -0.379 3.970 4.350 -0.002 0.000 0.202 737 E C 1.529 178.214 176.600 0.141 0.000 1.016 737 E CA 1.972 58.644 56.400 0.453 0.000 0.817 737 E CB 0.039 29.986 29.700 0.412 0.000 0.736 737 E HN 0.541 nan 8.360 nan 0.000 0.462 738 Q N 0.053 119.870 119.800 0.028 0.000 2.079 738 Q HA -0.045 4.294 4.340 -0.002 0.000 0.200 738 Q C 1.893 177.854 176.000 -0.065 0.000 0.974 738 Q CA 1.793 57.560 55.803 -0.061 0.000 0.840 738 Q CB -0.407 28.223 28.738 -0.181 0.000 0.898 738 Q HN 0.219 nan 8.270 nan 0.000 0.430 739 A N 0.565 123.348 122.820 -0.061 0.000 2.238 739 A HA 0.178 4.497 4.320 -0.002 0.000 0.208 739 A C 1.871 179.448 177.584 -0.013 0.000 1.177 739 A CA 0.366 52.377 52.037 -0.043 0.000 0.804 739 A CB -0.226 18.733 19.000 -0.069 0.000 0.823 739 A HN 0.245 nan 8.150 nan 0.000 0.482 740 V N -0.191 119.718 119.914 -0.008 0.000 3.186 740 V HA -0.169 3.950 4.120 -0.002 0.000 0.270 740 V C 2.478 178.633 176.094 0.101 0.000 1.149 740 V CA 1.582 63.884 62.300 0.003 0.000 1.160 740 V CB -1.147 30.585 31.823 -0.151 0.000 0.758 740 V HN 0.600 nan 8.190 nan 0.000 0.516 741 G N 0.544 109.373 108.800 0.049 0.000 2.396 741 G HA2 -0.061 3.897 3.960 -0.002 0.000 0.214 741 G HA3 -0.061 3.897 3.960 -0.002 0.000 0.214 741 G C 1.612 176.577 174.900 0.110 0.000 1.166 741 G CA 0.673 45.815 45.100 0.070 0.000 0.793 741 G HN 0.548 nan 8.290 nan 0.000 0.533 742 G N 1.025 109.861 108.800 0.059 0.000 2.450 742 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.220 742 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.220 742 G C 1.605 176.521 174.900 0.027 0.000 1.130 742 G CA 0.990 46.108 45.100 0.030 0.000 0.760 742 G HN 0.309 nan 8.290 nan 0.000 0.557 743 I N 0.323 120.911 120.570 0.031 0.000 2.032 743 I HA -0.189 3.980 4.170 -0.002 0.000 0.231 743 I C 2.506 178.630 176.117 0.011 0.000 1.035 743 I CA 1.047 62.333 61.300 -0.025 0.000 1.312 743 I CB -1.223 36.706 38.000 -0.118 0.000 1.041 743 I HN 0.264 nan 8.210 nan 0.000 0.390 744 Y N 0.236 120.536 120.300 0.000 0.000 2.228 744 Y HA -0.314 4.234 4.550 -0.002 0.000 0.285 744 Y C 2.891 178.804 175.900 0.022 0.000 1.178 744 Y CA 1.766 59.873 58.100 0.011 0.000 1.202 744 Y CB -0.969 37.484 38.460 -0.012 0.000 0.974 744 Y HN 0.281 nan 8.280 nan 0.000 0.527 745 S N 0.002 115.806 115.700 0.173 0.000 2.354 745 S HA -0.196 4.273 4.470 -0.002 0.000 0.219 745 S C 2.074 176.724 174.600 0.083 0.000 1.035 745 S CA 2.071 60.331 58.200 0.101 0.000 1.037 745 S CB -0.846 62.392 63.200 0.063 0.000 0.956 745 S HN 0.196 nan 8.310 nan 0.000 0.428 746 V N 2.333 122.284 119.914 0.062 0.000 2.379 746 V HA -0.049 4.069 4.120 -0.002 0.000 0.245 746 V C 2.564 178.750 176.094 0.154 0.000 1.044 746 V CA 1.583 63.926 62.300 0.072 0.000 1.036 746 V CB -0.915 30.898 31.823 -0.018 0.000 0.664 746 V HN 0.475 nan 8.190 nan 0.000 0.453 747 L N 0.661 121.987 121.223 0.172 0.000 2.051 747 L HA -0.263 4.076 4.340 -0.002 0.000 0.214 747 L C 2.581 179.525 176.870 0.124 0.000 1.076 747 L CA 1.846 56.785 54.840 0.165 0.000 0.758 747 L CB -0.810 41.287 42.059 0.063 0.000 0.890 747 L HN 0.458 nan 8.230 nan 0.000 0.433 748 N N 0.239 119.007 118.700 0.114 0.000 2.166 748 N HA -0.206 4.533 4.740 -0.002 0.000 0.186 748 N C 1.700 177.266 175.510 0.094 0.000 1.019 748 N CA 1.052 54.162 53.050 0.101 0.000 0.856 748 N CB -0.289 38.257 38.487 0.099 0.000 0.993 748 N HN 0.142 nan 8.380 nan 0.000 0.426 749 K N 1.620 122.080 120.400 0.099 0.000 2.589 749 K HA 0.027 4.346 4.320 -0.002 0.000 0.192 749 K C 0.063 176.728 176.600 0.107 0.000 1.029 749 K CA 0.752 57.095 56.287 0.093 0.000 1.031 749 K CB 0.052 32.604 32.500 0.087 0.000 0.821 749 K HN 0.104 nan 8.250 nan 0.000 0.502 750 K N 0.082 120.552 120.400 0.116 0.000 2.761 750 K HA 0.230 4.548 4.320 -0.002 0.000 0.196 750 K C -0.777 175.879 176.600 0.093 0.000 1.134 750 K CA -0.349 56.007 56.287 0.115 0.000 1.082 750 K CB 0.698 33.289 32.500 0.150 0.000 0.768 750 K HN 0.009 nan 8.250 nan 0.000 0.475 751 R N 0.453 121.004 120.500 0.086 0.000 3.422 751 R HA -0.153 4.186 4.340 -0.002 0.000 0.267 751 R C 0.486 176.834 176.300 0.081 0.000 1.074 751 R CA 0.511 56.659 56.100 0.080 0.000 0.718 751 R CB -2.038 28.310 30.300 0.079 0.000 1.157 751 R HN 0.497 nan 8.270 nan 0.000 0.440 752 G N 0.216 109.061 108.800 0.076 0.000 2.588 752 G HA2 0.307 4.266 3.960 -0.002 0.000 0.278 752 G HA3 0.307 4.266 3.960 -0.002 0.000 0.278 752 G C -0.349 174.595 174.900 0.073 0.000 1.307 752 G CA -0.117 45.019 45.100 0.060 0.000 1.016 752 G HN 0.228 nan 8.290 nan 0.000 0.503 753 Q N -1.071 118.759 119.800 0.051 0.000 2.476 753 Q HA 0.321 4.660 4.340 -0.002 0.000 0.236 753 Q C -1.523 174.452 176.000 -0.042 0.000 0.844 753 Q CA -0.533 55.306 55.803 0.060 0.000 0.972 753 Q CB 1.669 30.510 28.738 0.172 0.000 1.498 753 Q HN 0.432 nan 8.270 nan 0.000 0.454 754 V N 4.792 124.667 119.914 -0.066 0.000 2.508 754 V HA 0.085 4.204 4.120 -0.002 0.000 0.281 754 V C 0.849 176.873 176.094 -0.116 0.000 1.041 754 V CA 0.186 62.401 62.300 -0.143 0.000 1.016 754 V CB 1.198 32.928 31.823 -0.155 0.000 0.984 754 V HN 0.834 nan 8.190 nan 0.000 0.478 755 V N 3.990 123.782 119.914 -0.202 0.000 2.423 755 V HA 0.103 4.222 4.120 -0.002 0.000 0.233 755 V C 0.906 176.948 176.094 -0.088 0.000 1.067 755 V CA 1.414 63.601 62.300 -0.189 0.000 1.073 755 V CB 0.734 32.347 31.823 -0.350 0.000 0.715 755 V HN 0.921 nan 8.190 nan 0.000 0.485 756 S N -0.331 115.318 115.700 -0.085 0.000 2.570 756 S HA 0.582 5.051 4.470 -0.002 0.000 0.286 756 S C -0.825 173.773 174.600 -0.003 0.000 1.099 756 S CA -0.580 57.605 58.200 -0.025 0.000 0.913 756 S CB 2.322 65.513 63.200 -0.015 0.000 1.085 756 S HN 0.441 nan 8.310 nan 0.000 0.480 757 E N 1.648 121.872 120.200 0.040 0.000 2.593 757 E HA 0.235 4.583 4.350 -0.002 0.000 0.232 757 E C -0.857 175.828 176.600 0.141 0.000 1.026 757 E CA -0.412 56.036 56.400 0.080 0.000 0.772 757 E CB 0.419 30.160 29.700 0.068 0.000 1.310 757 E HN 0.771 nan 8.360 nan 0.000 0.413 758 E N 3.256 123.542 120.200 0.143 0.000 2.197 758 E HA 0.195 4.544 4.350 -0.002 0.000 0.281 758 E C -0.473 176.230 176.600 0.172 0.000 0.995 758 E CA -0.839 55.643 56.400 0.137 0.000 0.808 758 E CB 1.740 31.483 29.700 0.072 0.000 1.093 758 E HN 0.308 nan 8.360 nan 0.000 0.394 759 Q N 2.840 122.711 119.800 0.119 0.000 2.257 759 Q HA 0.133 4.472 4.340 -0.002 0.000 0.255 759 Q C -0.455 175.495 176.000 -0.083 0.000 0.920 759 Q CA -0.801 54.959 55.803 -0.072 0.000 0.927 759 Q CB 1.237 29.794 28.738 -0.301 0.000 1.229 759 Q HN 0.411 nan 8.270 nan 0.000 0.433 760 R N 5.272 125.706 120.500 -0.109 0.000 2.370 760 R HA 0.192 4.531 4.340 -0.002 0.000 0.309 760 R C -2.222 174.022 176.300 -0.094 0.000 1.059 760 R CA -1.327 54.729 56.100 -0.073 0.000 0.981 760 R CB 0.334 30.597 30.300 -0.062 0.000 0.972 760 R HN 0.571 nan 8.270 nan 0.000 0.437 761 P HA 0.128 nan 4.420 nan 0.000 0.272 761 P C 0.461 177.723 177.300 -0.063 0.000 1.230 761 P CA 0.405 63.468 63.100 -0.061 0.000 0.788 761 P CB 0.963 32.640 31.700 -0.039 0.000 0.949 762 G N 0.665 109.427 108.800 -0.062 0.000 3.349 762 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.202 762 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.202 762 G C -0.179 174.681 174.900 -0.066 0.000 1.588 762 G CA 0.272 45.338 45.100 -0.056 0.000 1.198 762 G HN 0.816 nan 8.290 nan 0.000 0.588 763 T N 3.186 117.690 114.554 -0.083 0.000 2.894 763 T HA 0.644 4.992 4.350 -0.002 0.000 0.309 763 T C -3.020 171.603 174.700 -0.128 0.000 1.208 763 T CA -0.370 61.677 62.100 -0.088 0.000 1.016 763 T CB 2.788 71.615 68.868 -0.068 0.000 1.192 763 T HN 0.401 nan 8.240 nan 0.000 0.491 764 P HA 0.418 nan 4.420 nan 0.000 0.267 764 P C -1.139 176.068 177.300 -0.155 0.000 1.209 764 P CA -0.340 62.640 63.100 -0.200 0.000 0.763 764 P CB 0.263 31.883 31.700 -0.133 0.000 0.816 765 L N 4.040 125.123 121.223 -0.232 0.000 4.058 765 L HA 0.217 4.556 4.340 -0.002 0.000 0.252 765 L C -0.974 175.825 176.870 -0.118 0.000 1.030 765 L CA -0.140 54.648 54.840 -0.088 0.000 1.351 765 L CB -0.040 42.010 42.059 -0.015 0.000 1.996 765 L HN 0.236 nan 8.230 nan 0.000 0.692 766 F N 1.377 121.339 119.950 0.021 0.000 2.382 766 F HA 0.432 4.957 4.527 -0.002 0.000 0.331 766 F C 1.346 177.163 175.800 0.027 0.000 1.121 766 F CA 0.247 58.261 58.000 0.023 0.000 1.183 766 F CB 1.429 40.444 39.000 0.025 0.000 1.207 766 F HN 0.326 nan 8.300 nan 0.000 0.555 767 T N 3.274 117.978 114.554 0.250 0.000 3.250 767 T HA 0.453 4.802 4.350 -0.002 0.000 0.391 767 T C -0.912 173.850 174.700 0.102 0.000 1.502 767 T CA -0.494 61.690 62.100 0.139 0.000 1.320 767 T CB -0.547 68.376 68.868 0.092 0.000 1.102 767 T HN 0.290 nan 8.240 nan 0.000 0.610 768 V N 5.044 124.998 119.914 0.068 0.000 2.686 768 V HA 0.444 4.563 4.120 -0.002 0.000 0.295 768 V C 0.345 176.412 176.094 -0.045 0.000 1.055 768 V CA -0.193 62.097 62.300 -0.016 0.000 1.050 768 V CB 1.046 32.817 31.823 -0.086 0.000 0.984 768 V HN 0.652 nan 8.190 nan 0.000 0.482 769 K N 2.780 123.126 120.400 -0.090 0.000 2.443 769 K HA 0.835 5.153 4.320 -0.002 0.000 0.252 769 K C -0.710 175.764 176.600 -0.210 0.000 0.933 769 K CA -0.387 55.825 56.287 -0.124 0.000 0.792 769 K CB 2.363 34.798 32.500 -0.109 0.000 1.185 769 K HN 0.878 nan 8.250 nan 0.000 0.425 770 A N 1.942 124.617 122.820 -0.242 0.000 2.599 770 A HA 0.624 4.943 4.320 -0.002 0.000 0.290 770 A C -2.017 175.397 177.584 -0.283 0.000 1.101 770 A CA -0.737 51.116 52.037 -0.307 0.000 0.674 770 A CB 0.700 19.579 19.000 -0.201 0.000 1.277 770 A HN 0.504 nan 8.150 nan 0.000 0.419 771 Y N -0.451 119.833 120.300 -0.027 0.000 2.334 771 Y HA 0.646 5.195 4.550 -0.002 0.000 0.328 771 Y C -0.113 175.752 175.900 -0.058 0.000 1.130 771 Y CA -0.874 57.210 58.100 -0.026 0.000 1.163 771 Y CB 1.683 40.169 38.460 0.042 0.000 1.207 771 Y HN 0.557 nan 8.280 nan 0.000 0.471 772 L N 5.889 127.175 121.223 0.106 0.000 2.491 772 L HA 0.600 4.938 4.340 -0.002 0.000 0.267 772 L C -2.957 173.953 176.870 0.067 0.000 0.971 772 L CA -2.406 52.442 54.840 0.013 0.000 0.857 772 L CB 1.788 43.743 42.059 -0.173 0.000 1.226 772 L HN 0.284 nan 8.230 nan 0.000 0.408 773 P HA -0.019 nan 4.420 nan 0.000 0.258 773 P C 1.096 178.436 177.300 0.068 0.000 1.172 773 P CA 0.155 63.275 63.100 0.034 0.000 0.762 773 P CB 0.598 32.342 31.700 0.072 0.000 0.764 774 V N 4.311 124.192 119.914 -0.055 0.000 2.324 774 V HA -0.288 3.830 4.120 -0.002 0.000 0.250 774 V C 1.767 177.930 176.094 0.116 0.000 1.060 774 V CA 2.411 64.660 62.300 -0.084 0.000 1.042 774 V CB -1.316 30.221 31.823 -0.476 0.000 0.650 774 V HN 0.702 nan 8.190 nan 0.000 0.450 775 N N -0.205 118.565 118.700 0.116 0.000 2.485 775 N HA -0.075 4.664 4.740 -0.002 0.000 0.199 775 N C 0.761 176.377 175.510 0.177 0.000 1.236 775 N CA 0.290 53.445 53.050 0.176 0.000 0.852 775 N CB 0.116 38.745 38.487 0.236 0.000 1.018 775 N HN 0.446 nan 8.380 nan 0.000 0.457 776 E N 0.299 120.602 120.200 0.172 0.000 2.676 776 E HA -0.002 4.347 4.350 -0.002 0.000 0.222 776 E C 0.709 177.419 176.600 0.183 0.000 0.968 776 E CA 0.093 56.590 56.400 0.163 0.000 1.090 776 E CB 0.854 30.628 29.700 0.123 0.000 1.066 776 E HN 0.408 nan 8.360 nan 0.000 0.496 777 S N -0.269 115.562 115.700 0.217 0.000 2.556 777 S HA 0.136 4.605 4.470 -0.002 0.000 0.216 777 S C 0.359 175.107 174.600 0.247 0.000 0.970 777 S CA -0.600 57.716 58.200 0.194 0.000 0.912 777 S CB -0.315 63.003 63.200 0.197 0.000 0.790 777 S HN 0.097 nan 8.310 nan 0.000 0.504 778 F N 2.369 122.413 119.950 0.156 0.000 2.438 778 F HA 0.552 5.078 4.527 -0.002 0.000 0.360 778 F C 1.335 177.214 175.800 0.131 0.000 1.118 778 F CA 0.955 59.035 58.000 0.133 0.000 1.164 778 F CB 0.331 39.395 39.000 0.107 0.000 1.131 778 F HN 0.313 nan 8.300 nan 0.000 0.527 779 G N 5.161 113.840 108.800 -0.202 0.000 2.339 779 G HA2 -0.372 3.587 3.960 -0.002 0.000 0.209 779 G HA3 -0.372 3.587 3.960 -0.002 0.000 0.209 779 G C 1.011 175.920 174.900 0.014 0.000 1.015 779 G CA 0.106 45.160 45.100 -0.075 0.000 0.635 779 G HN 0.636 nan 8.290 nan 0.000 0.499 780 F N 2.313 122.230 119.950 -0.054 0.000 2.063 780 F HA -0.212 4.314 4.527 -0.002 0.000 0.296 780 F C 2.774 178.536 175.800 -0.063 0.000 1.093 780 F CA 3.657 61.632 58.000 -0.041 0.000 1.229 780 F CB -0.706 38.270 39.000 -0.039 0.000 0.971 780 F HN 0.356 nan 8.300 nan 0.000 0.491 781 T N -0.584 113.974 114.554 0.006 0.000 2.635 781 T HA -0.186 4.162 4.350 -0.002 0.000 0.267 781 T C 2.147 176.745 174.700 -0.170 0.000 1.040 781 T CA 2.317 64.359 62.100 -0.098 0.000 1.156 781 T CB -1.292 67.562 68.868 -0.023 0.000 0.863 781 T HN 0.463 nan 8.240 nan 0.000 0.430 782 G N 0.572 109.296 108.800 -0.126 0.000 2.511 782 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.216 782 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.216 782 G C 1.469 176.286 174.900 -0.138 0.000 1.218 782 G CA 0.963 46.001 45.100 -0.105 0.000 0.788 782 G HN 0.673 nan 8.290 nan 0.000 0.560 783 E N -0.270 119.842 120.200 -0.146 0.000 2.284 783 E HA -0.178 4.171 4.350 -0.002 0.000 0.200 783 E C 2.294 178.748 176.600 -0.243 0.000 1.008 783 E CA 0.713 57.020 56.400 -0.155 0.000 0.829 783 E CB -0.130 29.496 29.700 -0.124 0.000 0.744 783 E HN 0.357 nan 8.360 nan 0.000 0.491 784 L N 0.671 121.666 121.223 -0.379 0.000 2.068 784 L HA -0.064 4.275 4.340 -0.002 0.000 0.204 784 L C 2.296 179.028 176.870 -0.230 0.000 1.076 784 L CA 1.535 56.128 54.840 -0.412 0.000 0.753 784 L CB -0.287 41.418 42.059 -0.590 0.000 0.910 784 L HN -0.129 nan 8.230 nan 0.000 0.439 785 R N -1.014 119.379 120.500 -0.178 0.000 2.103 785 R HA -0.205 4.133 4.340 -0.002 0.000 0.242 785 R C 2.283 178.534 176.300 -0.081 0.000 1.142 785 R CA 1.729 57.763 56.100 -0.110 0.000 0.960 785 R CB -0.125 30.134 30.300 -0.070 0.000 0.858 785 R HN 0.471 nan 8.270 nan 0.000 0.439 786 Q N -0.030 119.723 119.800 -0.078 0.000 1.942 786 Q HA -0.136 4.203 4.340 -0.002 0.000 0.203 786 Q C 2.158 178.134 176.000 -0.040 0.000 0.987 786 Q CA 1.834 57.608 55.803 -0.049 0.000 0.844 786 Q CB -0.711 28.002 28.738 -0.042 0.000 0.911 786 Q HN 0.439 nan 8.270 nan 0.000 0.423 787 A N 0.598 123.385 122.820 -0.055 0.000 2.054 787 A HA -0.202 4.117 4.320 -0.002 0.000 0.223 787 A C 1.904 179.484 177.584 -0.007 0.000 1.169 787 A CA 2.471 54.489 52.037 -0.032 0.000 0.655 787 A CB -0.702 18.266 19.000 -0.054 0.000 0.812 787 A HN 0.571 nan 8.150 nan 0.000 0.462 788 T N -5.081 109.454 114.554 -0.033 0.000 3.132 788 T HA 0.450 4.799 4.350 -0.002 0.000 0.274 788 T C 1.058 175.768 174.700 0.017 0.000 1.011 788 T CA 0.881 62.971 62.100 -0.017 0.000 0.899 788 T CB -0.056 68.757 68.868 -0.091 0.000 1.089 788 T HN 1.754 nan 8.240 nan 0.000 0.543 789 G N 1.320 110.141 108.800 0.034 0.000 2.366 789 G HA2 0.133 4.092 3.960 -0.002 0.000 0.299 789 G HA3 0.133 4.092 3.960 -0.002 0.000 0.299 789 G C 1.031 175.942 174.900 0.020 0.000 1.020 789 G CA 0.128 45.260 45.100 0.052 0.000 1.026 789 G HN 1.833 nan 8.290 nan 0.000 0.512 790 G N -1.530 107.256 108.800 -0.023 0.000 2.272 790 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.280 790 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.280 790 G C 0.842 175.709 174.900 -0.055 0.000 1.067 790 G CA 1.075 46.161 45.100 -0.024 0.000 0.902 790 G HN 0.826 nan 8.290 nan 0.000 0.500 791 Q N -1.308 118.403 119.800 -0.148 0.000 2.402 791 Q HA 0.436 4.774 4.340 -0.002 0.000 0.231 791 Q C 1.403 177.031 176.000 -0.619 0.000 0.888 791 Q CA 1.073 56.736 55.803 -0.233 0.000 0.938 791 Q CB 0.843 29.492 28.738 -0.148 0.000 1.086 791 Q HN 0.987 nan 8.270 nan 0.000 0.543 792 A N 0.950 123.384 122.820 -0.644 0.000 2.311 792 A HA 0.723 5.042 4.320 -0.002 0.000 0.334 792 A C -1.122 175.920 177.584 -0.903 0.000 1.139 792 A CA -0.490 51.010 52.037 -0.895 0.000 0.830 792 A CB 0.598 19.369 19.000 -0.382 0.000 1.234 792 A HN 0.126 nan 8.150 nan 0.000 0.483 793 F N 0.667 120.635 119.950 0.029 0.000 2.612 793 F HA 0.506 5.032 4.527 -0.002 0.000 0.332 793 F C -2.451 173.372 175.800 0.038 0.000 1.167 793 F CA -2.694 55.326 58.000 0.033 0.000 0.970 793 F CB 1.132 40.166 39.000 0.056 0.000 1.234 793 F HN 0.331 nan 8.300 nan 0.000 0.453 794 P HA 0.177 nan 4.420 nan 0.000 0.274 794 P C -1.357 176.004 177.300 0.103 0.000 1.256 794 P CA -0.292 62.895 63.100 0.145 0.000 0.795 794 P CB 1.845 33.660 31.700 0.191 0.000 1.038 795 Q N 1.018 120.844 119.800 0.043 0.000 2.643 795 Q HA 0.252 4.590 4.340 -0.002 0.000 0.225 795 Q C -1.055 174.916 176.000 -0.049 0.000 0.786 795 Q CA -0.300 55.508 55.803 0.008 0.000 0.953 795 Q CB 0.693 29.454 28.738 0.038 0.000 1.517 795 Q HN 0.373 nan 8.270 nan 0.000 0.457 796 M N 1.489 121.009 119.600 -0.134 0.000 2.245 796 M HA 0.729 5.208 4.480 -0.002 0.000 0.292 796 M C -0.233 176.054 176.300 -0.022 0.000 1.176 796 M CA -1.013 54.156 55.300 -0.219 0.000 1.035 796 M CB 1.453 33.604 32.600 -0.748 0.000 1.440 796 M HN 0.367 nan 8.290 nan 0.000 0.494 797 V N 0.597 120.605 119.914 0.157 0.000 3.022 797 V HA 0.184 4.302 4.120 -0.002 0.000 0.272 797 V C -1.507 174.800 176.094 0.355 0.000 1.584 797 V CA -0.872 61.576 62.300 0.247 0.000 0.974 797 V CB 2.377 34.270 31.823 0.116 0.000 1.219 797 V HN 0.737 nan 8.190 nan 0.000 0.450 798 F N 3.270 123.283 119.950 0.105 0.000 2.529 798 F HA 0.342 4.868 4.527 -0.002 0.000 0.365 798 F C 0.817 176.553 175.800 -0.107 0.000 1.102 798 F CA 1.057 58.978 58.000 -0.131 0.000 1.271 798 F CB 1.178 40.032 39.000 -0.245 0.000 1.120 798 F HN 0.782 nan 8.300 nan 0.000 0.579 799 D N 2.191 121.913 120.400 -1.130 0.000 2.504 799 D HA 0.088 4.727 4.640 -0.002 0.000 0.276 799 D C -0.491 175.270 176.300 -0.899 0.000 1.073 799 D CA 0.682 54.239 54.000 -0.738 0.000 0.905 799 D CB 0.319 40.963 40.800 -0.260 0.000 1.350 799 D HN 0.699 nan 8.370 nan 0.000 0.496 800 H N -3.600 114.629 119.070 -1.403 0.000 2.876 800 H HA 0.187 4.741 4.556 -0.002 0.000 0.284 800 H C -1.574 173.351 175.328 -0.671 0.000 1.445 800 H CA -1.045 54.508 56.048 -0.825 0.000 1.141 800 H CB -0.431 29.081 29.762 -0.418 0.000 1.816 800 H HN -0.026 nan 8.280 nan 0.000 0.511 801 W N 0.532 121.917 121.300 0.141 0.000 2.578 801 W HA 0.620 5.279 4.660 -0.002 0.000 0.346 801 W C 0.074 176.707 176.519 0.191 0.000 1.075 801 W CA -0.762 56.683 57.345 0.168 0.000 1.233 801 W CB 2.119 31.692 29.460 0.188 0.000 1.358 801 W HN 0.518 nan 8.180 nan 0.000 0.574 802 S N 0.880 116.822 115.700 0.402 0.000 2.619 802 S HA 0.413 4.882 4.470 -0.002 0.000 0.280 802 S C -0.670 174.071 174.600 0.235 0.000 1.150 802 S CA -0.598 57.761 58.200 0.264 0.000 0.978 802 S CB 0.685 64.004 63.200 0.197 0.000 1.041 802 S HN 0.313 nan 8.310 nan 0.000 0.485 803 T N 5.493 120.149 114.554 0.170 0.000 2.834 803 T HA 0.287 4.636 4.350 -0.002 0.000 0.298 803 T C 0.201 174.965 174.700 0.107 0.000 0.966 803 T CA -0.066 62.114 62.100 0.134 0.000 1.141 803 T CB -0.009 68.910 68.868 0.085 0.000 0.905 803 T HN 0.492 nan 8.240 nan 0.000 0.535 804 L N 2.790 124.075 121.223 0.103 0.000 2.371 804 L HA 0.317 4.656 4.340 -0.002 0.000 0.272 804 L C 1.825 178.722 176.870 0.044 0.000 1.124 804 L CA -0.438 54.445 54.840 0.071 0.000 0.816 804 L CB 0.594 42.685 42.059 0.054 0.000 1.129 804 L HN 0.864 nan 8.230 nan 0.000 0.448 805 G N 1.558 110.378 108.800 0.034 0.000 2.394 805 G HA2 -0.155 3.803 3.960 -0.002 0.000 0.215 805 G HA3 -0.155 3.803 3.960 -0.002 0.000 0.215 805 G C 0.857 175.763 174.900 0.011 0.000 1.165 805 G CA 0.438 45.550 45.100 0.021 0.000 0.784 805 G HN 0.690 nan 8.290 nan 0.000 0.535 806 S N 0.440 116.144 115.700 0.007 0.000 2.560 806 S HA 0.041 4.509 4.470 -0.002 0.000 0.276 806 S C -0.077 174.517 174.600 -0.009 0.000 1.350 806 S CA -0.310 57.888 58.200 -0.004 0.000 1.024 806 S CB 1.009 64.203 63.200 -0.011 0.000 0.864 806 S HN 0.265 nan 8.310 nan 0.000 0.536 807 D N 1.453 121.845 120.400 -0.012 0.000 2.325 807 D HA 0.236 4.875 4.640 -0.002 0.000 0.251 807 D C -1.772 174.512 176.300 -0.027 0.000 1.196 807 D CA -2.150 51.843 54.000 -0.012 0.000 0.866 807 D CB 1.222 42.019 40.800 -0.005 0.000 1.101 807 D HN 0.200 nan 8.370 nan 0.000 0.476 808 P HA -0.036 nan 4.420 nan 0.000 0.225 808 P C 0.754 178.016 177.300 -0.064 0.000 1.148 808 P CA 0.604 63.666 63.100 -0.062 0.000 0.779 808 P CB 0.262 31.944 31.700 -0.029 0.000 0.780 809 L N -1.479 119.729 121.223 -0.025 0.000 2.700 809 L HA 0.199 4.537 4.340 -0.002 0.000 0.234 809 L C 0.510 177.366 176.870 -0.024 0.000 1.156 809 L CA 0.418 55.248 54.840 -0.018 0.000 0.946 809 L CB -0.363 41.707 42.059 0.019 0.000 1.216 809 L HN -0.159 nan 8.230 nan 0.000 0.493 810 D N -0.268 120.113 120.400 -0.032 0.000 2.477 810 D HA 0.247 4.886 4.640 -0.002 0.000 0.239 810 D C -1.746 174.528 176.300 -0.043 0.000 1.102 810 D CA -2.333 51.650 54.000 -0.029 0.000 0.901 810 D CB 1.515 42.303 40.800 -0.020 0.000 1.026 810 D HN -0.172 nan 8.370 nan 0.000 0.515 811 P HA -0.227 nan 4.420 nan 0.000 0.219 811 P C 1.152 178.424 177.300 -0.047 0.000 1.149 811 P CA 1.868 64.936 63.100 -0.052 0.000 0.835 811 P CB 0.163 31.838 31.700 -0.041 0.000 0.778 812 T N -5.455 109.078 114.554 -0.035 0.000 3.057 812 T HA 0.071 4.420 4.350 -0.002 0.000 0.254 812 T C 0.954 175.637 174.700 -0.027 0.000 1.094 812 T CA 0.126 62.209 62.100 -0.028 0.000 1.088 812 T CB -0.720 68.136 68.868 -0.019 0.000 0.934 812 T HN 0.159 nan 8.240 nan 0.000 0.497 813 S N 1.015 116.696 115.700 -0.032 0.000 2.589 813 S HA 0.307 4.775 4.470 -0.002 0.000 0.265 813 S C 1.129 175.707 174.600 -0.037 0.000 1.342 813 S CA -0.887 57.296 58.200 -0.028 0.000 1.005 813 S CB 1.155 64.339 63.200 -0.028 0.000 0.909 813 S HN 0.341 nan 8.310 nan 0.000 0.555 814 K N 1.339 121.724 120.400 -0.026 0.000 1.975 814 K HA -0.215 4.104 4.320 -0.002 0.000 0.225 814 K C 2.549 179.111 176.600 -0.063 0.000 1.050 814 K CA 1.576 57.846 56.287 -0.029 0.000 0.992 814 K CB -1.210 31.285 32.500 -0.009 0.000 0.738 814 K HN 0.785 nan 8.250 nan 0.000 0.446 815 A N 1.255 124.032 122.820 -0.072 0.000 1.896 815 A HA -0.230 4.088 4.320 -0.002 0.000 0.220 815 A C 2.474 179.953 177.584 -0.175 0.000 1.206 815 A CA 2.556 54.517 52.037 -0.128 0.000 0.647 815 A CB -1.686 17.259 19.000 -0.091 0.000 0.828 815 A HN 0.589 nan 8.150 nan 0.000 0.455 816 G N -0.836 107.887 108.800 -0.129 0.000 2.499 816 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.221 816 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.221 816 G C 1.337 176.151 174.900 -0.144 0.000 1.109 816 G CA 1.128 46.145 45.100 -0.139 0.000 0.749 816 G HN 0.759 nan 8.290 nan 0.000 0.568 817 E N -0.235 119.894 120.200 -0.119 0.000 2.112 817 E HA 0.005 4.353 4.350 -0.002 0.000 0.190 817 E C 2.335 178.858 176.600 -0.128 0.000 0.979 817 E CA 0.266 56.608 56.400 -0.098 0.000 0.814 817 E CB -0.036 29.627 29.700 -0.061 0.000 0.762 817 E HN 0.396 nan 8.360 nan 0.000 0.460 818 I N 1.023 121.488 120.570 -0.175 0.000 2.163 818 I HA -0.261 3.908 4.170 -0.002 0.000 0.243 818 I C 2.277 178.215 176.117 -0.298 0.000 1.085 818 I CA 1.061 62.229 61.300 -0.220 0.000 1.347 818 I CB -0.492 37.287 38.000 -0.368 0.000 1.044 818 I HN -0.042 nan 8.210 nan 0.000 0.408 819 V N 0.168 119.794 119.914 -0.481 0.000 2.244 819 V HA -0.260 3.859 4.120 -0.002 0.000 0.244 819 V C 2.366 178.252 176.094 -0.346 0.000 1.042 819 V CA 1.675 63.521 62.300 -0.756 0.000 1.006 819 V CB -0.957 30.418 31.823 -0.747 0.000 0.641 819 V HN 0.392 nan 8.190 nan 0.000 0.446 820 L N 1.485 122.575 121.223 -0.221 0.000 1.987 820 L HA -0.289 4.050 4.340 -0.002 0.000 0.230 820 L C 2.477 179.307 176.870 -0.066 0.000 1.089 820 L CA 2.935 57.708 54.840 -0.113 0.000 0.802 820 L CB -1.417 40.590 42.059 -0.087 0.000 0.905 820 L HN 0.261 nan 8.230 nan 0.000 0.441 821 A N -0.599 122.185 122.820 -0.060 0.000 1.927 821 A HA -0.239 4.080 4.320 -0.002 0.000 0.220 821 A C 2.469 180.053 177.584 0.000 0.000 1.185 821 A CA 3.101 55.122 52.037 -0.027 0.000 0.639 821 A CB -1.508 17.478 19.000 -0.022 0.000 0.820 821 A HN 0.834 nan 8.150 nan 0.000 0.451 822 A N -0.269 122.572 122.820 0.034 0.000 1.859 822 A HA -0.251 4.068 4.320 -0.002 0.000 0.217 822 A C 2.226 179.925 177.584 0.193 0.000 1.198 822 A CA 1.895 54.034 52.037 0.170 0.000 0.629 822 A CB -0.618 18.623 19.000 0.401 0.000 0.830 822 A HN 0.588 nan 8.150 nan 0.000 0.446 823 R N -0.364 120.238 120.500 0.170 0.000 2.117 823 R HA -0.144 4.195 4.340 -0.002 0.000 0.243 823 R C 2.232 178.595 176.300 0.105 0.000 1.143 823 R CA 1.689 57.891 56.100 0.170 0.000 0.968 823 R CB -0.302 30.052 30.300 0.090 0.000 0.863 823 R HN 0.528 nan 8.270 nan 0.000 0.444 824 K N 0.129 120.554 120.400 0.041 0.000 2.097 824 K HA -0.135 4.183 4.320 -0.002 0.000 0.205 824 K C 2.131 178.725 176.600 -0.012 0.000 1.050 824 K CA 0.890 57.186 56.287 0.014 0.000 0.938 824 K CB -0.104 32.393 32.500 -0.005 0.000 0.718 824 K HN 0.104 nan 8.250 nan 0.000 0.442 825 R N 0.250 120.714 120.500 -0.061 0.000 2.148 825 R HA -0.102 4.237 4.340 -0.002 0.000 0.227 825 R C 1.476 177.638 176.300 -0.230 0.000 1.103 825 R CA 1.093 57.093 56.100 -0.167 0.000 0.983 825 R CB 0.100 30.244 30.300 -0.260 0.000 0.874 825 R HN 0.285 nan 8.270 nan 0.000 0.451 826 H N -1.445 117.657 119.070 0.053 0.000 2.575 826 H HA 0.191 4.746 4.556 -0.002 0.000 0.267 826 H C 0.777 176.129 175.328 0.041 0.000 0.966 826 H CA 0.797 56.874 56.048 0.050 0.000 1.165 826 H CB 1.078 30.880 29.762 0.067 0.000 1.433 826 H HN 0.445 nan 8.280 nan 0.000 0.544 827 G N 1.505 110.375 108.800 0.116 0.000 2.225 827 G HA2 -0.279 3.679 3.960 -0.002 0.000 0.264 827 G HA3 -0.279 3.679 3.960 -0.002 0.000 0.264 827 G C 0.148 175.101 174.900 0.088 0.000 1.060 827 G CA 0.440 45.589 45.100 0.082 0.000 0.833 827 G HN 0.231 nan 8.290 nan 0.000 0.498 828 M N -1.007 118.655 119.600 0.104 0.000 2.753 828 M HA 0.500 4.979 4.480 -0.002 0.000 0.299 828 M C 0.848 177.185 176.300 0.061 0.000 1.219 828 M CA -0.806 54.547 55.300 0.089 0.000 0.900 828 M CB 1.180 33.849 32.600 0.115 0.000 1.628 828 M HN 0.029 nan 8.290 nan 0.000 0.502 829 K N 0.931 121.360 120.400 0.048 0.000 2.326 829 K HA 0.033 4.352 4.320 -0.002 0.000 0.275 829 K C 0.457 177.072 176.600 0.024 0.000 1.018 829 K CA 0.081 56.386 56.287 0.028 0.000 0.962 829 K CB 0.635 33.145 32.500 0.018 0.000 0.953 829 K HN 0.576 nan 8.250 nan 0.000 0.475 830 E N 1.583 121.789 120.200 0.010 0.000 2.338 830 E HA -0.136 4.213 4.350 -0.002 0.000 0.197 830 E C -0.482 176.112 176.600 -0.010 0.000 1.007 830 E CA 0.898 57.298 56.400 -0.001 0.000 0.849 830 E CB 0.188 29.884 29.700 -0.008 0.000 0.774 830 E HN 0.464 nan 8.360 nan 0.000 0.506 831 E N 0.492 120.688 120.200 -0.007 0.000 2.249 831 E HA 0.184 4.532 4.350 -0.002 0.000 0.280 831 E C -0.909 175.690 176.600 -0.002 0.000 1.016 831 E CA -0.319 56.073 56.400 -0.013 0.000 0.830 831 E CB 1.953 31.641 29.700 -0.020 0.000 1.081 831 E HN -0.183 nan 8.360 nan 0.000 0.395 832 V N 5.166 125.079 119.914 -0.002 0.000 2.339 832 V HA 0.182 4.300 4.120 -0.002 0.000 0.261 832 V C -2.062 174.054 176.094 0.036 0.000 1.058 832 V CA -1.826 60.486 62.300 0.021 0.000 0.897 832 V CB 0.288 32.119 31.823 0.013 0.000 1.052 832 V HN 0.626 nan 8.190 nan 0.000 0.480 833 P HA -0.008 nan 4.420 nan 0.000 0.251 833 P C 0.826 178.182 177.300 0.094 0.000 1.154 833 P CA 0.689 63.800 63.100 0.019 0.000 0.805 833 P CB 0.134 31.845 31.700 0.018 0.000 0.759 834 G N 3.594 112.396 108.800 0.003 0.000 2.750 834 G HA2 -0.092 3.867 3.960 -0.002 0.000 0.250 834 G HA3 -0.092 3.867 3.960 -0.002 0.000 0.250 834 G C 1.096 176.069 174.900 0.122 0.000 1.230 834 G CA -0.517 44.603 45.100 0.033 0.000 0.883 834 G HN 0.665 nan 8.290 nan 0.000 0.573 835 W N -0.358 121.073 121.300 0.218 0.000 2.374 835 W HA -0.147 4.512 4.660 -0.002 0.000 0.288 835 W C 1.702 178.378 176.519 0.260 0.000 1.218 835 W CA 1.007 58.559 57.345 0.345 0.000 1.245 835 W CB -0.735 28.878 29.460 0.255 0.000 1.126 835 W HN 0.494 nan 8.180 nan 0.000 0.545 836 Q N 1.302 120.668 119.800 -0.724 0.000 2.173 836 Q HA -0.230 4.109 4.340 -0.002 0.000 0.208 836 Q C 1.917 177.776 176.000 -0.236 0.000 0.989 836 Q CA 2.520 57.894 55.803 -0.715 0.000 0.872 836 Q CB -0.753 27.427 28.738 -0.931 0.000 0.909 836 Q HN 0.268 nan 8.270 nan 0.000 0.420 837 E N -0.734 119.269 120.200 -0.329 0.000 2.267 837 E HA -0.163 4.185 4.350 -0.002 0.000 0.197 837 E C 1.224 177.554 176.600 -0.450 0.000 0.998 837 E CA 1.117 57.239 56.400 -0.464 0.000 0.830 837 E CB -0.104 29.159 29.700 -0.729 0.000 0.751 837 E HN 0.643 nan 8.360 nan 0.000 0.491 838 Y N -2.040 118.353 120.300 0.156 0.000 2.498 838 Y HA 0.127 4.675 4.550 -0.002 0.000 0.259 838 Y C 0.881 176.907 175.900 0.210 0.000 1.086 838 Y CA -0.511 57.691 58.100 0.171 0.000 1.287 838 Y CB 0.013 38.601 38.460 0.214 0.000 1.146 838 Y HN -0.057 nan 8.280 nan 0.000 0.523 839 Y N 2.489 122.963 120.300 0.290 0.000 2.359 839 Y HA 0.195 4.744 4.550 -0.002 0.000 0.330 839 Y C -0.610 175.362 175.900 0.120 0.000 1.143 839 Y CA -0.518 57.733 58.100 0.253 0.000 1.318 839 Y CB 0.564 39.317 38.460 0.489 0.000 1.234 839 Y HN 0.021 nan 8.280 nan 0.000 0.522 840 D N 6.162 126.768 120.400 0.344 0.000 2.462 840 D HA 0.128 4.767 4.640 -0.002 0.000 0.249 840 D C -0.673 175.806 176.300 0.298 0.000 1.117 840 D CA -0.628 53.520 54.000 0.247 0.000 0.900 840 D CB 1.107 41.945 40.800 0.065 0.000 1.039 840 D HN 0.337 nan 8.370 nan 0.000 0.516 841 K N 2.224 122.887 120.400 0.438 0.000 2.527 841 K HA 0.010 4.329 4.320 -0.002 0.000 0.278 841 K C 0.463 177.164 176.600 0.169 0.000 0.981 841 K CA -0.361 56.148 56.287 0.370 0.000 1.009 841 K CB 0.341 32.942 32.500 0.168 0.000 0.895 841 K HN 0.174 nan 8.250 nan 0.000 0.493 842 L N 0.000 121.306 121.223 0.139 0.000 2.949 842 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 842 L CA 0.000 54.890 54.840 0.083 0.000 0.813 842 L CB 0.000 42.112 42.059 0.089 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502