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 3iur_1_A DATA FIRST_RESID 7 DATA SEQUENCE LHYPVTRQGE QVDHYFGQAV ADPYRWLEDD RSPETEAWVK AQNAVTQDYL DATA SEQUENCE AQIPYRAAIK EKLAASWNYA KEGAPFREGR YHYFFKNDGL QNQNVLWRQQ DATA SEQUENCE EGKPAEVFLD PNTLSPDGTT ALDQLSFSRD GRILAYSLSL AGSDWREIHL DATA SEQUENCE MDVESKQPLE TPLKDVKFSG ISWLGNEGFF YSSYDKPXXX XXXXXTDQHK DATA SEQUENCE VYFHRLGTAQ EDDRLVFGAI PAQHHRYVGA TVTEDDRFLL ISAANSTSGN DATA SEQUENCE RLYVKDLSQE NAPLLTVQGD LDADVSLVDN KGSTLYLLTN RDAPNRRLVT DATA SEQUENCE VDAANPGPAH WRDLIPERQQ VLTVHSGSGY LFAEYMVDAT ARVEQFDYEG DATA SEQUENCE KRVREVALPG LGSVSGFNGK HDDPALYFGF ENYAQPPTLY RFEPKSGAIS DATA SEQUENCE LYRASAAPFK PEDYVSEQRF YQSKDGTRVP LIISYRKGLK LDGSNPTILY DATA SEQUENCE GYGGFDVSLT PSFSVSVANW LDLGGVYAVA NLRGGGEYGQ AWHLAGTQQN DATA SEQUENCE KQNVFDDFIA AAEYLKAEGY TRTDRLAIRG GSNGGLLVGA VMTQRPDLMR DATA SEQUENCE VALPAVGVLD MLRYHTFTAG TGWAYDYGTS ADSEAMFDYL KGYSPLHNVR DATA SEQUENCE PGVSYPSTMV TTADHNDRVV PAHSFKFAAT LQADNAGPHP QLIRIETXXX DATA SEQUENCE XXXXXPVAKL IEQSADIYAF TLYEMGYREL PRQP 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.684 176.870 -0.310 0.000 1.165 7 L CA 0.000 54.817 54.840 -0.038 0.000 0.813 7 L CB 0.000 42.007 42.059 -0.086 0.000 0.961 8 H N 3.776 122.707 119.070 -0.232 0.000 2.646 8 H HA 0.484 5.042 4.556 0.002 0.000 0.328 8 H C -1.014 174.199 175.328 -0.192 0.000 0.998 8 H CA -0.252 55.660 56.048 -0.227 0.000 1.225 8 H CB 1.095 30.803 29.762 -0.090 0.000 1.457 8 H HN 0.277 nan 8.280 nan 0.000 0.505 9 Y N 2.403 122.726 120.300 0.038 0.000 2.379 9 Y HA 0.236 4.787 4.550 0.002 0.000 0.337 9 Y C -1.655 174.249 175.900 0.007 0.000 1.238 9 Y CA -2.402 55.691 58.100 -0.012 0.000 1.405 9 Y CB -0.191 38.248 38.460 -0.036 0.000 1.310 9 Y HN 0.550 nan 8.280 nan 0.000 0.569 10 P HA 0.081 nan 4.420 nan 0.000 0.272 10 P C -0.866 176.526 177.300 0.153 0.000 1.223 10 P CA -0.342 62.796 63.100 0.064 0.000 0.784 10 P CB 0.517 32.157 31.700 -0.099 0.000 0.923 11 V N 2.350 122.366 119.914 0.171 0.000 2.637 11 V HA 0.137 4.258 4.120 0.002 0.000 0.296 11 V C 0.486 176.777 176.094 0.329 0.000 1.046 11 V CA 0.651 63.080 62.300 0.214 0.000 1.066 11 V CB 0.545 32.468 31.823 0.167 0.000 0.968 11 V HN 0.557 nan 8.190 nan 0.000 0.483 12 T N 5.758 120.530 114.554 0.365 0.000 2.864 12 T HA 0.347 4.699 4.350 0.002 0.000 0.310 12 T C 0.035 175.046 174.700 0.518 0.000 1.040 12 T CA -0.652 61.756 62.100 0.513 0.000 0.977 12 T CB 0.444 69.528 68.868 0.361 0.000 0.976 12 T HN 0.827 nan 8.240 nan 0.000 0.459 13 R N 2.927 123.726 120.500 0.499 0.000 2.643 13 R HA 0.305 4.646 4.340 0.002 0.000 0.270 13 R C -0.627 175.974 176.300 0.500 0.000 1.061 13 R CA -0.418 55.876 56.100 0.323 0.000 1.107 13 R CB 0.617 30.937 30.300 0.034 0.000 0.999 13 R HN 0.502 nan 8.270 nan 0.000 0.460 14 Q N 1.441 121.397 119.800 0.260 0.000 2.290 14 Q HA 0.328 4.669 4.340 0.002 0.000 0.259 14 Q C 0.040 176.088 176.000 0.081 0.000 0.941 14 Q CA -0.633 55.236 55.803 0.110 0.000 0.912 14 Q CB 2.180 30.902 28.738 -0.027 0.000 1.244 14 Q HN 0.871 nan 8.270 nan 0.000 0.441 15 G N 1.261 110.128 108.800 0.111 0.000 2.525 15 G HA2 0.128 4.090 3.960 0.002 0.000 0.287 15 G HA3 0.128 4.090 3.960 0.002 0.000 0.287 15 G C -0.030 174.881 174.900 0.018 0.000 1.350 15 G CA -0.372 44.776 45.100 0.079 0.000 1.039 15 G HN 0.706 nan 8.290 nan 0.000 0.513 16 E N -0.991 119.221 120.200 0.020 0.000 2.583 16 E HA 0.073 4.425 4.350 0.002 0.000 0.213 16 E C 0.254 176.861 176.600 0.012 0.000 0.989 16 E CA -0.344 56.060 56.400 0.007 0.000 0.991 16 E CB 0.769 30.474 29.700 0.008 0.000 1.040 16 E HN 0.375 nan 8.360 nan 0.000 0.481 17 Q N 1.615 121.428 119.800 0.022 0.000 2.286 17 Q HA 0.041 4.383 4.340 0.002 0.000 0.290 17 Q C -0.975 175.027 176.000 0.004 0.000 1.049 17 Q CA 0.525 56.341 55.803 0.022 0.000 0.923 17 Q CB 0.640 29.401 28.738 0.039 0.000 1.183 17 Q HN -0.076 nan 8.270 nan 0.000 0.383 18 V N 5.249 125.160 119.914 -0.006 0.000 2.623 18 V HA 0.393 4.514 4.120 0.002 0.000 0.304 18 V C -0.810 175.210 176.094 -0.124 0.000 1.054 18 V CA -0.897 61.365 62.300 -0.063 0.000 0.882 18 V CB 2.184 33.975 31.823 -0.054 0.000 1.002 18 V HN 0.878 nan 8.190 nan 0.000 0.424 19 D N 1.824 122.098 120.400 -0.210 0.000 2.326 19 D HA 0.617 5.258 4.640 0.002 0.000 0.248 19 D C -0.951 174.964 176.300 -0.640 0.000 1.001 19 D CA -0.350 53.467 54.000 -0.306 0.000 0.961 19 D CB 1.864 42.520 40.800 -0.240 0.000 1.183 19 D HN 0.617 nan 8.370 nan 0.000 0.502 20 H N -0.742 118.002 119.070 -0.543 0.000 2.679 20 H HA 0.408 4.965 4.556 0.002 0.000 0.360 20 H C -1.142 173.688 175.328 -0.830 0.000 1.105 20 H CA -0.477 55.285 56.048 -0.477 0.000 1.196 20 H CB 1.191 30.781 29.762 -0.286 0.000 1.636 20 H HN 0.223 nan 8.280 nan 0.000 0.531 21 Y N 1.882 121.984 120.300 -0.330 0.000 2.331 21 Y HA 0.262 4.813 4.550 0.002 0.000 0.326 21 Y C -0.547 175.045 175.900 -0.513 0.000 1.020 21 Y CA -1.352 56.353 58.100 -0.658 0.000 1.136 21 Y CB 0.657 38.331 38.460 -1.310 0.000 1.157 21 Y HN 0.655 nan 8.280 nan 0.000 0.444 22 F N 1.822 121.645 119.950 -0.211 0.000 3.004 22 F HA -0.214 4.315 4.527 0.002 0.000 0.264 22 F C 1.433 177.195 175.800 -0.063 0.000 0.979 22 F CA 1.360 59.290 58.000 -0.117 0.000 0.896 22 F CB -1.422 37.523 39.000 -0.092 0.000 0.813 22 F HN 0.947 nan 8.300 nan 0.000 0.804 23 G N -0.734 108.078 108.800 0.020 0.000 2.184 23 G HA2 -0.328 3.633 3.960 0.002 0.000 0.264 23 G HA3 -0.328 3.633 3.960 0.002 0.000 0.264 23 G C 0.173 175.141 174.900 0.113 0.000 0.975 23 G CA 0.316 45.452 45.100 0.060 0.000 0.642 23 G HN 0.574 nan 8.290 nan 0.000 0.536 24 Q N 0.320 120.182 119.800 0.103 0.000 2.271 24 Q HA 0.679 5.021 4.340 0.002 0.000 0.258 24 Q C 0.258 176.309 176.000 0.085 0.000 0.936 24 Q CA 0.062 55.950 55.803 0.143 0.000 0.909 24 Q CB 1.756 30.642 28.738 0.247 0.000 1.253 24 Q HN 0.640 nan 8.270 nan 0.000 0.440 25 A N 2.371 125.216 122.820 0.042 0.000 2.309 25 A HA 0.617 4.938 4.320 0.002 0.000 0.298 25 A C -0.696 176.852 177.584 -0.060 0.000 1.165 25 A CA -0.429 51.475 52.037 -0.222 0.000 0.821 25 A CB 0.794 19.712 19.000 -0.137 0.000 1.102 25 A HN 0.505 nan 8.150 nan 0.000 0.500 26 V N 2.032 121.888 119.914 -0.097 0.000 2.524 26 V HA 0.540 4.661 4.120 0.002 0.000 0.297 26 V C 0.445 176.560 176.094 0.034 0.000 1.035 26 V CA -0.437 61.904 62.300 0.069 0.000 0.867 26 V CB 1.241 33.203 31.823 0.231 0.000 1.004 26 V HN 1.252 nan 8.190 nan 0.000 0.426 27 A N 2.896 125.742 122.820 0.044 0.000 2.425 27 A HA 0.589 4.910 4.320 0.002 0.000 0.249 27 A C -0.031 177.589 177.584 0.059 0.000 1.084 27 A CA 0.079 52.130 52.037 0.024 0.000 0.781 27 A CB 0.279 19.283 19.000 0.006 0.000 1.019 27 A HN 0.865 nan 8.150 nan 0.000 0.490 28 D N 2.113 122.527 120.400 0.023 0.000 2.513 28 D HA 0.311 4.952 4.640 0.002 0.000 0.295 28 D C -1.642 174.611 176.300 -0.079 0.000 1.202 28 D CA -1.238 52.775 54.000 0.021 0.000 0.849 28 D CB 0.831 41.685 40.800 0.090 0.000 1.116 28 D HN 0.235 nan 8.370 nan 0.000 0.502 29 P HA -0.154 nan 4.420 nan 0.000 0.223 29 P C 0.234 177.246 177.300 -0.479 0.000 1.144 29 P CA 0.846 63.710 63.100 -0.394 0.000 0.783 29 P CB 0.067 31.407 31.700 -0.600 0.000 0.771 30 Y N -1.092 119.165 120.300 -0.072 0.000 2.681 30 Y HA 0.305 4.857 4.550 0.002 0.000 0.267 30 Y C 2.238 177.898 175.900 -0.400 0.000 1.166 30 Y CA -0.820 57.057 58.100 -0.372 0.000 1.209 30 Y CB -0.579 37.623 38.460 -0.429 0.000 1.161 30 Y HN -0.216 nan 8.280 nan 0.000 0.534 31 R N 1.640 122.113 120.500 -0.045 0.000 2.133 31 R HA -0.198 4.143 4.340 0.002 0.000 0.247 31 R C 1.932 178.255 176.300 0.037 0.000 1.151 31 R CA 2.356 58.471 56.100 0.025 0.000 0.971 31 R CB -0.843 29.508 30.300 0.085 0.000 0.866 31 R HN 0.631 nan 8.270 nan 0.000 0.447 32 W N -0.220 121.087 121.300 0.011 0.000 2.421 32 W HA -0.096 4.566 4.660 0.002 0.000 0.270 32 W C 0.981 177.486 176.519 -0.022 0.000 1.233 32 W CA 0.338 57.681 57.345 -0.003 0.000 1.226 32 W CB -0.808 28.646 29.460 -0.011 0.000 1.121 32 W HN 0.094 nan 8.180 nan 0.000 0.579 33 L N 1.162 122.019 121.223 -0.609 0.000 2.465 33 L HA -0.074 4.267 4.340 0.002 0.000 0.224 33 L C 2.390 179.152 176.870 -0.181 0.000 1.145 33 L CA 1.013 55.494 54.840 -0.600 0.000 0.834 33 L CB -0.504 40.961 42.059 -0.990 0.000 0.944 33 L HN -0.015 nan 8.230 nan 0.000 0.451 34 E N -0.461 119.661 120.200 -0.131 0.000 2.265 34 E HA -0.180 4.171 4.350 0.002 0.000 0.196 34 E C 0.504 177.063 176.600 -0.067 0.000 0.996 34 E CA 0.419 56.740 56.400 -0.132 0.000 0.832 34 E CB 0.008 29.689 29.700 -0.032 0.000 0.756 34 E HN 0.264 nan 8.360 nan 0.000 0.491 35 D N 1.599 122.020 120.400 0.035 0.000 2.441 35 D HA -0.041 4.600 4.640 0.002 0.000 0.221 35 D C 0.253 176.638 176.300 0.141 0.000 1.156 35 D CA -0.183 53.867 54.000 0.084 0.000 0.896 35 D CB 0.380 41.252 40.800 0.121 0.000 1.028 35 D HN 0.077 nan 8.370 nan 0.000 0.509 36 D N 2.446 122.933 120.400 0.144 0.000 2.378 36 D HA -0.100 4.541 4.640 0.002 0.000 0.227 36 D C 0.773 177.282 176.300 0.349 0.000 1.012 36 D CA 0.094 54.258 54.000 0.273 0.000 0.905 36 D CB 0.228 41.150 40.800 0.204 0.000 0.895 36 D HN 0.367 nan 8.370 nan 0.000 0.532 37 R N 0.374 121.022 120.500 0.247 0.000 2.508 37 R HA 0.114 4.455 4.340 0.002 0.000 0.300 37 R C 0.428 176.821 176.300 0.155 0.000 0.970 37 R CA -0.163 56.064 56.100 0.212 0.000 1.102 37 R CB 0.902 31.260 30.300 0.097 0.000 1.246 37 R HN 0.113 nan 8.270 nan 0.000 0.539 38 S N 0.158 115.957 115.700 0.164 0.000 2.601 38 S HA 0.264 4.735 4.470 0.002 0.000 0.271 38 S C -1.904 172.784 174.600 0.146 0.000 1.305 38 S CA -1.236 57.048 58.200 0.140 0.000 1.022 38 S CB 1.729 65.022 63.200 0.155 0.000 0.940 38 S HN -0.231 nan 8.310 nan 0.000 0.525 39 P HA -0.133 nan 4.420 nan 0.000 0.215 39 P C 1.404 178.776 177.300 0.120 0.000 1.153 39 P CA 1.317 64.475 63.100 0.097 0.000 0.853 39 P CB 0.065 31.801 31.700 0.061 0.000 0.788 40 E N -1.150 119.121 120.200 0.119 0.000 2.110 40 E HA -0.140 4.211 4.350 0.002 0.000 0.193 40 E C 1.499 178.302 176.600 0.338 0.000 0.988 40 E CA 1.464 57.946 56.400 0.137 0.000 0.804 40 E CB -0.301 29.380 29.700 -0.031 0.000 0.745 40 E HN 0.134 nan 8.360 nan 0.000 0.458 41 T N 0.757 115.526 114.554 0.359 0.000 2.770 41 T HA -0.095 4.256 4.350 0.002 0.000 0.263 41 T C 1.465 176.319 174.700 0.257 0.000 1.039 41 T CA 1.249 63.544 62.100 0.326 0.000 1.142 41 T CB -0.162 68.849 68.868 0.238 0.000 0.868 41 T HN 0.263 nan 8.240 nan 0.000 0.435 42 E N 1.153 121.481 120.200 0.212 0.000 2.204 42 E HA -0.055 4.296 4.350 0.002 0.000 0.195 42 E C 2.422 179.104 176.600 0.136 0.000 0.990 42 E CA 0.880 57.378 56.400 0.163 0.000 0.821 42 E CB -0.153 29.643 29.700 0.159 0.000 0.750 42 E HN 0.470 nan 8.360 nan 0.000 0.477 43 A N 0.642 123.559 122.820 0.162 0.000 1.929 43 A HA -0.147 4.174 4.320 0.002 0.000 0.216 43 A C 1.808 179.482 177.584 0.150 0.000 1.176 43 A CA 0.780 52.894 52.037 0.128 0.000 0.628 43 A CB -0.785 18.288 19.000 0.122 0.000 0.816 43 A HN 0.476 nan 8.150 nan 0.000 0.444 44 W N 0.639 121.953 121.300 0.023 0.000 2.355 44 W HA -0.174 4.487 4.660 0.001 0.000 0.309 44 W C 1.942 178.376 176.519 -0.143 0.000 1.206 44 W CA 2.215 59.549 57.345 -0.018 0.000 1.284 44 W CB -0.313 29.159 29.460 0.020 0.000 1.145 44 W HN 0.095 nan 8.180 nan 0.000 0.502 45 V N 1.378 121.316 119.914 0.040 0.000 2.287 45 V HA -0.376 3.745 4.120 0.002 0.000 0.248 45 V C 2.467 178.434 176.094 -0.212 0.000 1.053 45 V CA 2.508 64.689 62.300 -0.198 0.000 1.027 45 V CB -1.101 30.670 31.823 -0.088 0.000 0.646 45 V HN 0.242 nan 8.190 nan 0.000 0.447 46 K N 0.077 120.418 120.400 -0.098 0.000 2.057 46 K HA -0.180 4.141 4.320 0.002 0.000 0.207 46 K C 2.152 178.677 176.600 -0.126 0.000 1.049 46 K CA 1.629 57.867 56.287 -0.082 0.000 0.931 46 K CB -0.336 32.150 32.500 -0.024 0.000 0.714 46 K HN 0.432 nan 8.250 nan 0.000 0.440 47 A N 0.815 123.542 122.820 -0.155 0.000 1.930 47 A HA -0.147 4.175 4.320 0.002 0.000 0.217 47 A C 2.056 179.482 177.584 -0.264 0.000 1.175 47 A CA 1.108 53.043 52.037 -0.170 0.000 0.627 47 A CB -0.372 18.544 19.000 -0.139 0.000 0.815 47 A HN 0.352 nan 8.150 nan 0.000 0.443 48 Q N 0.018 119.536 119.800 -0.469 0.000 2.079 48 Q HA -0.141 4.201 4.340 0.002 0.000 0.200 48 Q C 1.777 177.599 176.000 -0.297 0.000 0.974 48 Q CA 1.670 57.161 55.803 -0.520 0.000 0.840 48 Q CB -0.631 27.552 28.738 -0.925 0.000 0.898 48 Q HN 0.823 nan 8.270 nan 0.000 0.430 49 N N 0.226 118.777 118.700 -0.249 0.000 2.166 49 N HA -0.138 4.603 4.740 0.002 0.000 0.186 49 N C 1.699 177.149 175.510 -0.100 0.000 1.019 49 N CA 0.833 53.793 53.050 -0.150 0.000 0.856 49 N CB 0.022 38.440 38.487 -0.115 0.000 0.993 49 N HN 0.214 nan 8.380 nan 0.000 0.426 50 A N 0.496 123.258 122.820 -0.097 0.000 1.898 50 A HA -0.072 4.249 4.320 0.002 0.000 0.216 50 A C 2.342 179.904 177.584 -0.036 0.000 1.181 50 A CA 1.034 53.036 52.037 -0.058 0.000 0.620 50 A CB -0.600 18.367 19.000 -0.054 0.000 0.819 50 A HN 0.101 nan 8.150 nan 0.000 0.442 51 V N -0.372 119.514 119.914 -0.047 0.000 2.358 51 V HA -0.198 3.923 4.120 0.002 0.000 0.246 51 V C 2.740 178.855 176.094 0.035 0.000 1.047 51 V CA 2.424 64.725 62.300 0.002 0.000 1.035 51 V CB -1.112 30.714 31.823 0.005 0.000 0.658 51 V HN 0.598 nan 8.190 nan 0.000 0.452 52 T N -0.929 113.615 114.554 -0.017 0.000 2.777 52 T HA -0.196 4.155 4.350 0.002 0.000 0.266 52 T C 1.990 176.714 174.700 0.038 0.000 1.040 52 T CA 1.191 63.287 62.100 -0.006 0.000 1.141 52 T CB -0.236 68.578 68.868 -0.090 0.000 0.868 52 T HN 0.345 nan 8.240 nan 0.000 0.444 53 Q N 0.829 120.630 119.800 0.003 0.000 2.119 53 Q HA -0.096 4.245 4.340 0.002 0.000 0.201 53 Q C 2.096 178.108 176.000 0.019 0.000 0.972 53 Q CA 1.385 57.190 55.803 0.004 0.000 0.847 53 Q CB -0.608 28.120 28.738 -0.017 0.000 0.903 53 Q HN 0.577 nan 8.270 nan 0.000 0.433 54 D N -0.672 119.747 120.400 0.031 0.000 2.117 54 D HA -0.185 4.456 4.640 0.002 0.000 0.198 54 D C 1.775 178.103 176.300 0.047 0.000 0.982 54 D CA 0.804 54.820 54.000 0.027 0.000 0.828 54 D CB -0.105 40.715 40.800 0.033 0.000 0.967 54 D HN 0.232 nan 8.370 nan 0.000 0.464 55 Y N 0.612 120.910 120.300 -0.004 0.000 2.145 55 Y HA -0.084 4.467 4.550 0.002 0.000 0.286 55 Y C 1.934 177.819 175.900 -0.025 0.000 1.145 55 Y CA 1.441 59.555 58.100 0.023 0.000 1.148 55 Y CB -0.148 38.367 38.460 0.091 0.000 0.981 55 Y HN 0.016 nan 8.280 nan 0.000 0.507 56 L N -0.556 120.746 121.223 0.131 0.000 2.201 56 L HA -0.171 4.170 4.340 0.002 0.000 0.212 56 L C 2.656 179.454 176.870 -0.120 0.000 1.105 56 L CA 0.874 55.729 54.840 0.024 0.000 0.775 56 L CB -0.880 41.221 42.059 0.070 0.000 0.913 56 L HN 0.302 nan 8.230 nan 0.000 0.440 57 A N 0.482 123.242 122.820 -0.100 0.000 2.070 57 A HA -0.220 4.101 4.320 0.002 0.000 0.220 57 A C 2.204 179.679 177.584 -0.181 0.000 1.159 57 A CA 1.530 53.499 52.037 -0.113 0.000 0.656 57 A CB -0.457 18.500 19.000 -0.072 0.000 0.800 57 A HN 0.668 nan 8.150 nan 0.000 0.453 58 Q N -0.417 119.215 119.800 -0.279 0.000 2.403 58 Q HA 0.214 4.555 4.340 0.002 0.000 0.203 58 Q C -0.048 175.658 176.000 -0.490 0.000 0.932 58 Q CA -0.035 55.572 55.803 -0.327 0.000 0.945 58 Q CB -0.308 28.231 28.738 -0.332 0.000 1.045 58 Q HN 0.598 nan 8.270 nan 0.000 0.511 59 I N 3.252 123.470 120.570 -0.588 0.000 2.363 59 I HA 0.093 4.264 4.170 0.002 0.000 0.292 59 I C -1.697 174.114 176.117 -0.509 0.000 1.075 59 I CA -2.049 58.808 61.300 -0.738 0.000 1.333 59 I CB 1.047 38.676 38.000 -0.618 0.000 1.415 59 I HN -0.023 nan 8.210 nan 0.000 0.502 60 P HA -0.216 nan 4.420 nan 0.000 0.216 60 P C 0.701 177.881 177.300 -0.199 0.000 1.157 60 P CA 1.779 64.701 63.100 -0.296 0.000 0.880 60 P CB -0.059 31.531 31.700 -0.183 0.000 0.791 61 Y N -2.418 117.917 120.300 0.058 0.000 2.493 61 Y HA 0.444 4.995 4.550 0.002 0.000 0.275 61 Y C 2.066 178.010 175.900 0.074 0.000 1.183 61 Y CA -0.926 57.214 58.100 0.067 0.000 1.258 61 Y CB -1.179 37.330 38.460 0.081 0.000 1.108 61 Y HN -0.214 nan 8.280 nan 0.000 0.521 62 R N 1.292 121.832 120.500 0.067 0.000 2.081 62 R HA -0.116 4.226 4.340 0.002 0.000 0.235 62 R C 2.243 178.615 176.300 0.120 0.000 1.131 62 R CA 1.422 57.596 56.100 0.123 0.000 0.960 62 R CB -0.331 29.984 30.300 0.024 0.000 0.856 62 R HN 0.460 nan 8.270 nan 0.000 0.436 63 A N 0.567 123.432 122.820 0.076 0.000 1.930 63 A HA -0.059 4.262 4.320 0.002 0.000 0.217 63 A C 2.320 179.962 177.584 0.097 0.000 1.175 63 A CA 1.524 53.602 52.037 0.069 0.000 0.627 63 A CB -0.678 18.346 19.000 0.041 0.000 0.815 63 A HN 0.533 nan 8.150 nan 0.000 0.443 64 A N 0.018 122.913 122.820 0.124 0.000 1.902 64 A HA -0.062 4.259 4.320 0.002 0.000 0.217 64 A C 2.108 179.779 177.584 0.144 0.000 1.181 64 A CA 1.469 53.581 52.037 0.126 0.000 0.623 64 A CB -0.567 18.516 19.000 0.139 0.000 0.818 64 A HN 0.495 nan 8.150 nan 0.000 0.443 65 I N -0.668 120.014 120.570 0.186 0.000 2.179 65 I HA -0.258 3.913 4.170 0.002 0.000 0.242 65 I C 2.556 178.794 176.117 0.201 0.000 1.088 65 I CA 1.845 63.274 61.300 0.214 0.000 1.357 65 I CB -0.270 37.904 38.000 0.290 0.000 1.051 65 I HN 0.357 nan 8.210 nan 0.000 0.409 66 K N 1.018 121.515 120.400 0.162 0.000 2.097 66 K HA -0.261 4.060 4.320 0.002 0.000 0.206 66 K C 2.117 178.783 176.600 0.110 0.000 1.049 66 K CA 1.666 58.026 56.287 0.120 0.000 0.933 66 K CB -0.066 32.477 32.500 0.072 0.000 0.717 66 K HN 0.287 nan 8.250 nan 0.000 0.442 67 E N 0.686 120.949 120.200 0.105 0.000 2.051 67 E HA -0.225 4.126 4.350 0.002 0.000 0.192 67 E C 1.882 178.553 176.600 0.120 0.000 0.991 67 E CA 1.246 57.702 56.400 0.093 0.000 0.799 67 E CB 0.120 29.868 29.700 0.079 0.000 0.748 67 E HN 0.175 nan 8.360 nan 0.000 0.449 68 K N 0.210 120.695 120.400 0.141 0.000 2.097 68 K HA -0.113 4.208 4.320 0.002 0.000 0.205 68 K C 2.353 179.093 176.600 0.233 0.000 1.050 68 K CA 0.832 57.216 56.287 0.162 0.000 0.938 68 K CB -0.079 32.516 32.500 0.159 0.000 0.718 68 K HN 0.208 nan 8.250 nan 0.000 0.442 69 L N 0.247 121.632 121.223 0.270 0.000 1.994 69 L HA -0.209 4.132 4.340 0.002 0.000 0.208 69 L C 2.556 179.665 176.870 0.399 0.000 1.071 69 L CA 1.444 56.518 54.840 0.390 0.000 0.745 69 L CB -0.548 41.730 42.059 0.364 0.000 0.892 69 L HN 0.180 nan 8.230 nan 0.000 0.431 70 A N -0.193 122.757 122.820 0.217 0.000 1.940 70 A HA -0.194 4.127 4.320 0.002 0.000 0.219 70 A C 2.440 180.152 177.584 0.213 0.000 1.176 70 A CA 1.813 53.941 52.037 0.152 0.000 0.631 70 A CB -0.753 18.279 19.000 0.052 0.000 0.814 70 A HN 0.438 nan 8.150 nan 0.000 0.446 71 A N -0.202 122.730 122.820 0.188 0.000 2.066 71 A HA 0.045 4.367 4.320 0.002 0.000 0.218 71 A C 2.175 179.876 177.584 0.195 0.000 1.157 71 A CA 1.927 54.059 52.037 0.159 0.000 0.670 71 A CB -0.494 18.570 19.000 0.107 0.000 0.804 71 A HN 1.024 nan 8.150 nan 0.000 0.453 72 S N -3.095 112.772 115.700 0.278 0.000 2.559 72 S HA 0.015 4.487 4.470 0.002 0.000 0.226 72 S C 1.406 176.283 174.600 0.462 0.000 1.000 72 S CA -0.195 58.187 58.200 0.304 0.000 0.948 72 S CB -0.470 62.901 63.200 0.285 0.000 0.870 72 S HN 0.654 nan 8.310 nan 0.000 0.497 73 W N 3.153 124.605 121.300 0.253 0.000 2.381 73 W HA 0.144 4.806 4.660 0.003 0.000 0.301 73 W C -0.479 176.183 176.519 0.238 0.000 1.205 73 W CA 0.659 58.147 57.345 0.240 0.000 1.285 73 W CB -0.157 29.389 29.460 0.143 0.000 1.133 73 W HN 0.293 nan 8.180 nan 0.000 0.521 74 N N 0.120 119.063 118.700 0.405 0.000 2.361 74 N HA 0.259 5.000 4.740 0.002 0.000 0.302 74 N C -1.354 174.296 175.510 0.233 0.000 1.074 74 N CA -0.193 52.975 53.050 0.196 0.000 0.850 74 N CB 1.741 40.337 38.487 0.182 0.000 1.228 74 N HN -0.040 nan 8.380 nan 0.000 0.491 75 Y N -2.060 118.297 120.300 0.096 0.000 2.641 75 Y HA 0.657 5.208 4.550 0.002 0.000 0.333 75 Y C -0.830 175.098 175.900 0.047 0.000 1.174 75 Y CA -1.546 56.593 58.100 0.065 0.000 1.057 75 Y CB 0.277 38.773 38.460 0.060 0.000 1.322 75 Y HN 0.529 nan 8.280 nan 0.000 0.457 76 A N 2.482 125.410 122.820 0.180 0.000 2.466 76 A HA 0.613 4.935 4.320 0.002 0.000 0.238 76 A C -0.454 177.204 177.584 0.123 0.000 1.074 76 A CA -0.310 51.785 52.037 0.096 0.000 0.774 76 A CB 0.180 19.221 19.000 0.069 0.000 1.015 76 A HN 0.720 nan 8.150 nan 0.000 0.498 77 K N 0.108 120.545 120.400 0.061 0.000 2.512 77 K HA 0.616 4.937 4.320 0.002 0.000 0.263 77 K C -1.107 175.533 176.600 0.067 0.000 0.966 77 K CA -0.589 55.740 56.287 0.070 0.000 0.851 77 K CB 2.595 35.118 32.500 0.038 0.000 1.395 77 K HN 0.802 nan 8.250 nan 0.000 0.440 78 E N 0.349 120.591 120.200 0.070 0.000 2.343 78 E HA 0.416 4.768 4.350 0.002 0.000 0.278 78 E C -1.066 175.615 176.600 0.135 0.000 0.910 78 E CA -0.723 55.735 56.400 0.097 0.000 0.757 78 E CB 1.882 31.577 29.700 -0.008 0.000 1.218 78 E HN 0.746 nan 8.360 nan 0.000 0.435 79 G N 1.215 110.157 108.800 0.237 0.000 2.531 79 G HA2 0.613 4.575 3.960 0.002 0.000 0.313 79 G HA3 0.613 4.575 3.960 0.002 0.000 0.313 79 G C -0.505 174.501 174.900 0.177 0.000 1.238 79 G CA -0.163 45.077 45.100 0.233 0.000 0.994 79 G HN 0.565 nan 8.290 nan 0.000 0.493 80 A N 0.815 123.688 122.820 0.090 0.000 2.407 80 A HA 0.604 4.925 4.320 0.002 0.000 0.248 80 A C -1.744 175.814 177.584 -0.044 0.000 1.082 80 A CA -0.870 51.052 52.037 -0.193 0.000 0.785 80 A CB 0.135 19.016 19.000 -0.198 0.000 1.020 80 A HN 0.522 nan 8.150 nan 0.000 0.489 81 P HA 0.533 nan 4.420 nan 0.000 0.281 81 P C -1.197 176.221 177.300 0.197 0.000 1.249 81 P CA 0.006 63.111 63.100 0.009 0.000 0.810 81 P CB 0.780 32.398 31.700 -0.137 0.000 1.008 82 F N -1.146 118.877 119.950 0.122 0.000 2.581 82 F HA 0.602 5.130 4.527 0.002 0.000 0.311 82 F C -0.303 175.484 175.800 -0.022 0.000 1.113 82 F CA -1.635 56.403 58.000 0.064 0.000 0.935 82 F CB 1.456 40.488 39.000 0.053 0.000 1.232 82 F HN 0.181 nan 8.300 nan 0.000 0.445 83 R N 2.447 122.901 120.500 -0.075 0.000 2.308 83 R HA 0.446 4.787 4.340 0.002 0.000 0.305 83 R C -1.187 174.984 176.300 -0.216 0.000 1.053 83 R CA -0.181 55.708 56.100 -0.352 0.000 0.957 83 R CB 0.778 30.778 30.300 -0.500 0.000 1.022 83 R HN 0.779 nan 8.270 nan 0.000 0.461 84 E N 3.492 123.531 120.200 -0.268 0.000 2.283 84 E HA 0.252 4.603 4.350 0.002 0.000 0.258 84 E C 0.270 176.763 176.600 -0.178 0.000 0.893 84 E CA 0.015 56.184 56.400 -0.386 0.000 0.798 84 E CB 1.767 30.758 29.700 -1.182 0.000 1.242 84 E HN 0.963 nan 8.360 nan 0.000 0.414 85 G N 4.272 112.998 108.800 -0.125 0.000 2.583 85 G HA2 -0.405 3.556 3.960 0.002 0.000 0.292 85 G HA3 -0.405 3.556 3.960 0.002 0.000 0.292 85 G C 0.539 175.392 174.900 -0.079 0.000 1.203 85 G CA 0.591 45.659 45.100 -0.053 0.000 0.987 85 G HN 0.614 nan 8.290 nan 0.000 0.554 86 R N -0.149 120.293 120.500 -0.095 0.000 2.391 86 R HA 0.496 4.837 4.340 0.002 0.000 0.249 86 R C -0.100 175.945 176.300 -0.425 0.000 0.957 86 R CA 0.007 55.952 56.100 -0.258 0.000 1.093 86 R CB -0.017 30.087 30.300 -0.326 0.000 1.156 86 R HN 0.481 nan 8.270 nan 0.000 0.526 87 Y N -0.660 119.534 120.300 -0.176 0.000 2.570 87 Y HA 0.392 4.943 4.550 0.002 0.000 0.345 87 Y C -0.407 175.282 175.900 -0.351 0.000 1.014 87 Y CA -1.388 56.539 58.100 -0.288 0.000 1.063 87 Y CB 1.551 39.638 38.460 -0.622 0.000 1.272 87 Y HN -0.006 nan 8.280 nan 0.000 0.477 88 H N 0.501 119.486 119.070 -0.142 0.000 2.476 88 H HA 0.397 4.954 4.556 0.002 0.000 0.328 88 H C -1.448 173.680 175.328 -0.334 0.000 1.073 88 H CA -0.620 55.350 56.048 -0.129 0.000 1.229 88 H CB 0.671 30.429 29.762 -0.007 0.000 1.432 88 H HN 0.499 nan 8.280 nan 0.000 0.477 89 Y N 3.308 123.284 120.300 -0.540 0.000 2.457 89 Y HA 0.449 5.000 4.550 0.002 0.000 0.333 89 Y C -0.554 174.967 175.900 -0.631 0.000 1.119 89 Y CA -0.889 56.700 58.100 -0.852 0.000 1.143 89 Y CB 1.246 38.877 38.460 -1.382 0.000 1.230 89 Y HN 0.548 nan 8.280 nan 0.000 0.469 90 F N -0.725 119.079 119.950 -0.242 0.000 2.672 90 F HA 0.564 5.093 4.527 0.002 0.000 0.311 90 F C -2.051 173.785 175.800 0.061 0.000 1.113 90 F CA -1.892 56.108 58.000 0.001 0.000 0.996 90 F CB 0.457 39.463 39.000 0.010 0.000 1.286 90 F HN 0.160 nan 8.300 nan 0.000 0.441 91 F N 2.275 122.472 119.950 0.410 0.000 2.375 91 F HA 0.718 5.246 4.527 0.002 0.000 0.333 91 F C 0.252 176.225 175.800 0.289 0.000 1.104 91 F CA -0.190 58.003 58.000 0.322 0.000 1.149 91 F CB 1.591 40.753 39.000 0.270 0.000 1.190 91 F HN 0.434 nan 8.300 nan 0.000 0.533 92 K N 1.396 122.079 120.400 0.471 0.000 2.512 92 K HA 0.378 4.699 4.320 0.002 0.000 0.263 92 K C -1.503 175.257 176.600 0.267 0.000 0.966 92 K CA -1.222 55.225 56.287 0.267 0.000 0.851 92 K CB 2.437 34.963 32.500 0.043 0.000 1.395 92 K HN 0.452 nan 8.250 nan 0.000 0.440 93 N N 1.672 120.470 118.700 0.163 0.000 2.478 93 N HA 0.036 4.777 4.740 0.002 0.000 0.291 93 N C -0.765 174.798 175.510 0.090 0.000 1.090 93 N CA -0.313 52.816 53.050 0.132 0.000 0.911 93 N CB 1.610 40.147 38.487 0.083 0.000 1.546 93 N HN 0.694 nan 8.380 nan 0.000 0.500 94 D N 2.493 122.954 120.400 0.102 0.000 2.378 94 D HA 0.097 4.738 4.640 0.002 0.000 0.222 94 D C 1.224 177.558 176.300 0.056 0.000 0.980 94 D CA 1.324 55.372 54.000 0.081 0.000 0.907 94 D CB -0.060 40.799 40.800 0.098 0.000 0.899 94 D HN 0.857 nan 8.370 nan 0.000 0.527 95 G N -0.362 108.456 108.800 0.031 0.000 2.278 95 G HA2 -0.242 3.719 3.960 0.002 0.000 0.210 95 G HA3 -0.242 3.719 3.960 0.002 0.000 0.210 95 G C 0.902 175.813 174.900 0.019 0.000 1.000 95 G CA 0.206 45.302 45.100 -0.007 0.000 0.635 95 G HN 0.385 nan 8.290 nan 0.000 0.495 96 L N 0.609 121.859 121.223 0.044 0.000 2.717 96 L HA 0.334 4.675 4.340 0.002 0.000 0.239 96 L C 1.295 178.195 176.870 0.049 0.000 1.086 96 L CA -0.131 54.739 54.840 0.051 0.000 0.897 96 L CB 0.087 42.180 42.059 0.055 0.000 1.214 96 L HN 0.202 nan 8.230 nan 0.000 0.508 97 Q N 1.186 121.019 119.800 0.055 0.000 2.315 97 Q HA -0.087 4.254 4.340 0.002 0.000 0.289 97 Q C 0.693 176.722 176.000 0.049 0.000 1.044 97 Q CA 0.235 56.073 55.803 0.059 0.000 0.920 97 Q CB 0.730 29.517 28.738 0.081 0.000 1.214 97 Q HN 0.249 nan 8.270 nan 0.000 0.392 98 N N 1.934 120.661 118.700 0.044 0.000 2.106 98 N HA -0.165 4.576 4.740 0.002 0.000 0.188 98 N C -0.261 175.271 175.510 0.037 0.000 1.029 98 N CA 0.806 53.879 53.050 0.037 0.000 0.848 98 N CB 0.452 38.959 38.487 0.033 0.000 1.007 98 N HN 0.535 nan 8.380 nan 0.000 0.423 99 Q N 0.744 120.572 119.800 0.046 0.000 2.345 99 Q HA 0.292 4.634 4.340 0.002 0.000 0.268 99 Q C -1.202 174.851 176.000 0.088 0.000 1.054 99 Q CA -0.965 54.868 55.803 0.050 0.000 0.835 99 Q CB 1.602 30.370 28.738 0.049 0.000 1.339 99 Q HN 0.226 nan 8.270 nan 0.000 0.447 100 N N 0.550 119.305 118.700 0.091 0.000 2.479 100 N HA 0.116 4.857 4.740 0.002 0.000 0.257 100 N C -0.803 174.913 175.510 0.344 0.000 1.232 100 N CA 0.094 53.262 53.050 0.196 0.000 0.920 100 N CB 0.758 39.313 38.487 0.112 0.000 1.105 100 N HN 0.214 nan 8.380 nan 0.000 0.444 101 V N 2.270 122.428 119.914 0.406 0.000 2.427 101 V HA 0.236 4.357 4.120 0.002 0.000 0.286 101 V C 0.087 176.411 176.094 0.385 0.000 1.034 101 V CA -0.888 61.612 62.300 0.334 0.000 0.893 101 V CB 1.603 33.590 31.823 0.272 0.000 0.982 101 V HN 0.412 nan 8.190 nan 0.000 0.452 102 L N 5.591 126.881 121.223 0.111 0.000 2.260 102 L HA 0.529 4.870 4.340 0.002 0.000 0.289 102 L C -0.926 175.882 176.870 -0.102 0.000 1.057 102 L CA 0.112 54.849 54.840 -0.171 0.000 0.811 102 L CB 0.434 42.350 42.059 -0.240 0.000 1.184 102 L HN 0.614 nan 8.230 nan 0.000 0.429 103 W N 5.665 126.676 121.300 -0.482 0.000 2.578 103 W HA 0.773 5.434 4.660 0.002 0.000 0.364 103 W C -0.178 175.755 176.519 -0.978 0.000 1.144 103 W CA -0.592 56.366 57.345 -0.645 0.000 1.242 103 W CB 1.084 30.029 29.460 -0.860 0.000 1.382 103 W HN 0.524 nan 8.180 nan 0.000 0.625 104 R N 0.824 120.974 120.500 -0.583 0.000 2.764 104 R HA 0.734 5.075 4.340 0.002 0.000 0.270 104 R C -1.639 174.514 176.300 -0.245 0.000 1.014 104 R CA -1.155 54.483 56.100 -0.770 0.000 0.904 104 R CB 2.235 31.713 30.300 -1.369 0.000 1.236 104 R HN 0.544 nan 8.270 nan 0.000 0.466 105 Q N 1.390 121.165 119.800 -0.041 0.000 2.327 105 Q HA 0.163 4.504 4.340 0.002 0.000 0.265 105 Q C -1.802 174.290 176.000 0.153 0.000 0.993 105 Q CA -0.624 55.275 55.803 0.160 0.000 0.885 105 Q CB 2.763 31.659 28.738 0.263 0.000 1.379 105 Q HN 0.686 nan 8.270 nan 0.000 0.408 106 Q N 2.673 122.529 119.800 0.094 0.000 2.257 106 Q HA 0.223 4.564 4.340 0.002 0.000 0.255 106 Q C -0.886 175.099 176.000 -0.026 0.000 0.920 106 Q CA -0.328 55.427 55.803 -0.081 0.000 0.927 106 Q CB 1.126 29.706 28.738 -0.265 0.000 1.229 106 Q HN 0.586 nan 8.270 nan 0.000 0.433 107 E N 1.967 122.155 120.200 -0.020 0.000 2.585 107 E HA 0.016 4.367 4.350 0.002 0.000 0.252 107 E C 0.564 177.145 176.600 -0.033 0.000 0.981 107 E CA 1.095 57.479 56.400 -0.027 0.000 0.943 107 E CB 0.198 29.885 29.700 -0.021 0.000 0.923 107 E HN 0.998 nan 8.360 nan 0.000 0.486 108 G N 2.811 111.596 108.800 -0.025 0.000 2.195 108 G HA2 -0.203 3.758 3.960 0.002 0.000 0.224 108 G HA3 -0.203 3.758 3.960 0.002 0.000 0.224 108 G C 0.061 174.954 174.900 -0.010 0.000 0.990 108 G CA -0.159 44.929 45.100 -0.021 0.000 0.639 108 G HN 0.359 nan 8.290 nan 0.000 0.514 109 K N 0.491 120.891 120.400 -0.000 0.000 2.395 109 K HA 0.650 4.971 4.320 0.002 0.000 0.245 109 K C -2.678 173.947 176.600 0.041 0.000 1.017 109 K CA -1.834 54.465 56.287 0.019 0.000 0.852 109 K CB 2.078 34.593 32.500 0.025 0.000 1.311 109 K HN 0.126 nan 8.250 nan 0.000 0.452 110 P HA 0.213 nan 4.420 nan 0.000 0.276 110 P C -0.738 176.641 177.300 0.132 0.000 1.244 110 P CA -0.422 62.727 63.100 0.081 0.000 0.801 110 P CB 0.708 32.453 31.700 0.074 0.000 1.006 111 A N 2.003 124.939 122.820 0.194 0.000 2.386 111 A HA 0.401 4.722 4.320 0.002 0.000 0.248 111 A C 0.419 178.213 177.584 0.349 0.000 1.082 111 A CA -0.104 52.123 52.037 0.316 0.000 0.789 111 A CB -0.125 19.149 19.000 0.456 0.000 1.025 111 A HN 0.702 nan 8.150 nan 0.000 0.490 112 E N 0.086 120.449 120.200 0.270 0.000 2.390 112 E HA 0.539 4.890 4.350 0.002 0.000 0.277 112 E C -1.546 174.822 176.600 -0.386 0.000 0.939 112 E CA -1.012 55.381 56.400 -0.013 0.000 0.769 112 E CB 1.324 30.993 29.700 -0.052 0.000 1.251 112 E HN 0.288 nan 8.360 nan 0.000 0.450 113 V N 2.671 122.077 119.914 -0.848 0.000 2.637 113 V HA 0.003 4.124 4.120 0.002 0.000 0.296 113 V C 0.061 175.877 176.094 -0.464 0.000 1.046 113 V CA 0.325 61.992 62.300 -1.055 0.000 1.066 113 V CB 0.380 31.642 31.823 -0.934 0.000 0.968 113 V HN 0.778 nan 8.190 nan 0.000 0.483 114 F N 5.454 125.095 119.950 -0.514 0.000 2.490 114 F HA 0.500 5.029 4.527 0.002 0.000 0.280 114 F C 0.139 175.774 175.800 -0.275 0.000 1.030 114 F CA 0.252 58.049 58.000 -0.337 0.000 1.367 114 F CB 0.617 39.460 39.000 -0.262 0.000 1.131 114 F HN 0.347 nan 8.300 nan 0.000 0.632 115 L N 1.635 122.583 121.223 -0.459 0.000 2.541 115 L HA 0.372 4.713 4.340 0.002 0.000 0.266 115 L C -1.798 174.920 176.870 -0.253 0.000 0.966 115 L CA -0.396 54.146 54.840 -0.497 0.000 0.871 115 L CB 1.106 42.825 42.059 -0.567 0.000 1.232 115 L HN 0.025 nan 8.230 nan 0.000 0.408 116 D N 6.480 126.743 120.400 -0.229 0.000 2.473 116 D HA 0.428 5.069 4.640 0.002 0.000 0.226 116 D C -1.963 174.286 176.300 -0.084 0.000 1.089 116 D CA -2.090 51.836 54.000 -0.123 0.000 0.883 116 D CB 1.986 42.705 40.800 -0.134 0.000 1.029 116 D HN 0.309 nan 8.370 nan 0.000 0.517 117 P HA -0.111 nan 4.420 nan 0.000 0.216 117 P C 1.160 178.454 177.300 -0.009 0.000 1.150 117 P CA 0.722 63.812 63.100 -0.017 0.000 0.837 117 P CB 0.328 32.047 31.700 0.032 0.000 0.786 118 N N -0.621 118.082 118.700 0.004 0.000 2.094 118 N HA -0.133 4.608 4.740 0.002 0.000 0.191 118 N C 1.515 177.021 175.510 -0.007 0.000 1.023 118 N CA 2.226 55.280 53.050 0.007 0.000 0.857 118 N CB -1.044 37.455 38.487 0.018 0.000 1.013 118 N HN 0.323 nan 8.380 nan 0.000 0.426 119 T N -1.350 113.189 114.554 -0.025 0.000 3.169 119 T HA 0.223 4.574 4.350 0.002 0.000 0.250 119 T C 1.852 176.529 174.700 -0.038 0.000 1.111 119 T CA -0.117 61.964 62.100 -0.032 0.000 1.010 119 T CB -0.259 68.581 68.868 -0.047 0.000 0.984 119 T HN 0.081 nan 8.240 nan 0.000 0.537 120 L N 1.816 123.016 121.223 -0.039 0.000 2.265 120 L HA 0.089 4.431 4.340 0.002 0.000 0.215 120 L C 1.063 177.917 176.870 -0.027 0.000 1.117 120 L CA 0.653 55.467 54.840 -0.042 0.000 0.782 120 L CB -0.348 41.685 42.059 -0.044 0.000 0.914 120 L HN 0.550 nan 8.230 nan 0.000 0.441 121 S N -2.385 113.306 115.700 -0.016 0.000 2.566 121 S HA 0.462 4.933 4.470 0.002 0.000 0.273 121 S C -2.881 171.717 174.600 -0.005 0.000 1.157 121 S CA -1.412 56.783 58.200 -0.008 0.000 0.938 121 S CB 1.869 65.069 63.200 -0.001 0.000 1.087 121 S HN -0.269 nan 8.310 nan 0.000 0.474 122 P HA 0.355 nan 4.420 nan 0.000 0.264 122 P C -0.456 176.846 177.300 0.003 0.000 1.193 122 P CA 0.868 63.967 63.100 -0.002 0.000 0.763 122 P CB 0.135 31.833 31.700 -0.002 0.000 0.810 123 D N 1.481 121.884 120.400 0.005 0.000 2.954 123 D HA -0.115 4.526 4.640 0.002 0.000 0.200 123 D C 0.775 177.082 176.300 0.012 0.000 1.022 123 D CA 1.352 55.357 54.000 0.009 0.000 1.003 123 D CB -1.949 38.857 40.800 0.010 0.000 1.073 123 D HN 0.699 nan 8.370 nan 0.000 0.438 124 G N 0.491 109.297 108.800 0.009 0.000 2.412 124 G HA2 -0.311 3.650 3.960 0.002 0.000 0.297 124 G HA3 -0.311 3.650 3.960 0.002 0.000 0.297 124 G C 0.906 175.815 174.900 0.016 0.000 0.965 124 G CA 1.356 46.463 45.100 0.012 0.000 1.134 124 G HN 0.821 nan 8.290 nan 0.000 0.511 125 T N -3.338 111.226 114.554 0.016 0.000 3.060 125 T HA 0.290 4.641 4.350 0.002 0.000 0.249 125 T C 0.986 175.701 174.700 0.024 0.000 1.079 125 T CA 0.816 62.929 62.100 0.021 0.000 1.013 125 T CB 0.621 69.502 68.868 0.022 0.000 0.975 125 T HN 0.334 nan 8.240 nan 0.000 0.518 126 T N 3.005 117.570 114.554 0.018 0.000 2.733 126 T HA 0.701 5.052 4.350 0.002 0.000 0.294 126 T C -0.091 174.622 174.700 0.021 0.000 0.956 126 T CA -0.546 61.565 62.100 0.018 0.000 0.987 126 T CB 1.004 69.873 68.868 0.003 0.000 0.920 126 T HN 0.493 nan 8.240 nan 0.000 0.470 127 A N 3.282 126.122 122.820 0.033 0.000 2.325 127 A HA 0.773 5.095 4.320 0.002 0.000 0.333 127 A C -0.501 177.115 177.584 0.052 0.000 1.155 127 A CA -0.808 51.252 52.037 0.038 0.000 0.814 127 A CB 0.775 19.798 19.000 0.039 0.000 1.206 127 A HN 0.734 nan 8.150 nan 0.000 0.482 128 L N 1.498 122.757 121.223 0.061 0.000 2.281 128 L HA 0.394 4.735 4.340 0.002 0.000 0.285 128 L C 0.233 177.153 176.870 0.083 0.000 1.074 128 L CA 0.316 55.213 54.840 0.095 0.000 0.817 128 L CB 0.613 42.736 42.059 0.107 0.000 1.168 128 L HN 0.875 nan 8.230 nan 0.000 0.434 129 D N 1.650 122.109 120.400 0.099 0.000 2.818 129 D HA 0.093 4.734 4.640 0.002 0.000 0.250 129 D C -0.260 176.095 176.300 0.091 0.000 1.496 129 D CA 0.418 54.466 54.000 0.080 0.000 1.192 129 D CB 0.529 41.377 40.800 0.079 0.000 0.963 129 D HN 0.533 nan 8.370 nan 0.000 0.259 130 Q N 0.262 120.120 119.800 0.097 0.000 2.259 130 Q HA 0.458 4.800 4.340 0.002 0.000 0.246 130 Q C -0.721 175.355 176.000 0.126 0.000 0.920 130 Q CA -0.477 55.383 55.803 0.096 0.000 0.895 130 Q CB 2.029 30.812 28.738 0.075 0.000 1.220 130 Q HN 0.313 nan 8.270 nan 0.000 0.439 131 L N 0.813 122.113 121.223 0.127 0.000 2.409 131 L HA 0.513 4.854 4.340 0.002 0.000 0.272 131 L C -1.173 175.757 176.870 0.101 0.000 0.980 131 L CA 0.026 54.939 54.840 0.121 0.000 0.826 131 L CB 2.182 44.354 42.059 0.189 0.000 1.268 131 L HN 0.550 nan 8.230 nan 0.000 0.407 132 S N 4.285 120.019 115.700 0.057 0.000 2.689 132 S HA 0.606 5.077 4.470 0.002 0.000 0.274 132 S C -1.090 173.628 174.600 0.196 0.000 1.176 132 S CA -0.421 57.900 58.200 0.202 0.000 1.014 132 S CB 0.298 63.661 63.200 0.272 0.000 1.071 132 S HN 0.373 nan 8.310 nan 0.000 0.478 133 F N 3.094 123.075 119.950 0.051 0.000 2.371 133 F HA 0.427 4.955 4.527 0.002 0.000 0.329 133 F C 1.499 176.862 175.800 -0.728 0.000 1.107 133 F CA -0.283 57.589 58.000 -0.214 0.000 1.137 133 F CB 1.189 40.062 39.000 -0.212 0.000 1.214 133 F HN 0.615 nan 8.300 nan 0.000 0.536 134 S N 1.472 116.539 115.700 -1.054 0.000 2.596 134 S HA 0.138 4.609 4.470 0.002 0.000 0.260 134 S C 1.247 175.549 174.600 -0.498 0.000 1.336 134 S CA -0.759 56.513 58.200 -1.546 0.000 0.993 134 S CB 0.855 63.230 63.200 -1.375 0.000 0.923 134 S HN 0.698 nan 8.310 nan 0.000 0.567 135 R N 1.434 121.781 120.500 -0.254 0.000 2.117 135 R HA -0.148 4.194 4.340 0.002 0.000 0.243 135 R C 1.384 177.641 176.300 -0.072 0.000 1.143 135 R CA 2.290 58.349 56.100 -0.068 0.000 0.968 135 R CB -1.031 29.285 30.300 0.027 0.000 0.863 135 R HN 0.928 nan 8.270 nan 0.000 0.444 136 D N -2.091 118.255 120.400 -0.090 0.000 2.349 136 D HA 0.109 4.750 4.640 0.002 0.000 0.224 136 D C 1.086 177.350 176.300 -0.059 0.000 1.029 136 D CA 0.769 54.736 54.000 -0.055 0.000 0.879 136 D CB -0.192 40.589 40.800 -0.031 0.000 0.906 136 D HN 0.338 nan 8.370 nan 0.000 0.528 137 G N 0.758 109.506 108.800 -0.086 0.000 2.168 137 G HA2 -0.419 3.542 3.960 0.002 0.000 0.263 137 G HA3 -0.419 3.542 3.960 0.002 0.000 0.263 137 G C 1.195 176.136 174.900 0.069 0.000 0.977 137 G CA 0.430 45.507 45.100 -0.038 0.000 0.659 137 G HN 0.457 nan 8.290 nan 0.000 0.533 138 R N -0.910 119.605 120.500 0.025 0.000 2.200 138 R HA 0.298 4.640 4.340 0.002 0.000 0.208 138 R C 0.748 177.100 176.300 0.086 0.000 1.033 138 R CA 0.647 56.790 56.100 0.071 0.000 1.000 138 R CB 0.325 30.651 30.300 0.045 0.000 0.906 138 R HN 0.393 nan 8.270 nan 0.000 0.462 139 I N 1.172 121.749 120.570 0.011 0.000 2.608 139 I HA 0.267 4.438 4.170 0.002 0.000 0.295 139 I C -0.963 175.159 176.117 0.008 0.000 1.049 139 I CA -1.335 59.994 61.300 0.048 0.000 1.063 139 I CB 1.978 40.023 38.000 0.073 0.000 1.248 139 I HN -0.101 nan 8.210 nan 0.000 0.424 140 L N 5.688 126.956 121.223 0.075 0.000 2.333 140 L HA 0.820 5.161 4.340 0.002 0.000 0.280 140 L C -0.373 176.604 176.870 0.178 0.000 1.004 140 L CA -0.220 54.568 54.840 -0.088 0.000 0.820 140 L CB 1.451 43.334 42.059 -0.294 0.000 1.247 140 L HN 0.691 nan 8.230 nan 0.000 0.416 141 A N 5.258 128.194 122.820 0.193 0.000 2.288 141 A HA 0.737 5.058 4.320 0.002 0.000 0.320 141 A C -1.519 176.085 177.584 0.034 0.000 1.217 141 A CA -0.348 51.695 52.037 0.011 0.000 0.840 141 A CB 0.381 19.143 19.000 -0.396 0.000 1.179 141 A HN 0.832 nan 8.150 nan 0.000 0.504 142 Y N 0.388 120.617 120.300 -0.119 0.000 2.534 142 Y HA 0.721 5.272 4.550 0.002 0.000 0.345 142 Y C -0.113 175.768 175.900 -0.032 0.000 1.031 142 Y CA -0.853 57.200 58.100 -0.078 0.000 1.022 142 Y CB 1.202 39.622 38.460 -0.066 0.000 1.292 142 Y HN 0.642 nan 8.280 nan 0.000 0.459 143 S N 3.760 119.480 115.700 0.033 0.000 2.525 143 S HA 0.839 5.310 4.470 0.002 0.000 0.290 143 S C -1.078 173.566 174.600 0.073 0.000 1.152 143 S CA -0.720 57.482 58.200 0.003 0.000 1.072 143 S CB 1.234 64.445 63.200 0.018 0.000 1.027 143 S HN 0.761 nan 8.310 nan 0.000 0.500 144 L N 2.381 123.636 121.223 0.054 0.000 2.354 144 L HA 0.698 5.039 4.340 0.002 0.000 0.269 144 L C -0.054 176.858 176.870 0.069 0.000 1.005 144 L CA -0.746 54.126 54.840 0.054 0.000 0.819 144 L CB 2.449 44.494 42.059 -0.023 0.000 1.311 144 L HN 0.953 nan 8.230 nan 0.000 0.423 145 S N 1.891 117.631 115.700 0.066 0.000 2.536 145 S HA 0.845 5.316 4.470 0.002 0.000 0.298 145 S C -1.028 173.611 174.600 0.065 0.000 1.083 145 S CA -0.824 57.422 58.200 0.076 0.000 0.995 145 S CB 2.033 65.275 63.200 0.072 0.000 1.058 145 S HN 0.315 nan 8.310 nan 0.000 0.488 146 L N 2.551 123.819 121.223 0.076 0.000 2.333 146 L HA 0.846 5.187 4.340 0.002 0.000 0.280 146 L C 0.720 177.629 176.870 0.064 0.000 1.004 146 L CA 0.625 55.501 54.840 0.061 0.000 0.820 146 L CB 0.429 42.522 42.059 0.056 0.000 1.247 146 L HN 1.356 nan 8.230 nan 0.000 0.416 147 A N 3.080 125.930 122.820 0.051 0.000 5.950 147 A HA -0.053 4.268 4.320 0.002 0.000 0.259 147 A C 0.921 178.537 177.584 0.054 0.000 2.176 147 A CA 0.547 52.614 52.037 0.049 0.000 0.709 147 A CB -1.755 17.277 19.000 0.052 0.000 1.054 147 A HN 1.239 nan 8.150 nan 0.000 0.357 148 G N -0.478 108.354 108.800 0.054 0.000 3.782 148 G HA2 0.504 4.465 3.960 0.002 0.000 0.288 148 G HA3 0.504 4.465 3.960 0.002 0.000 0.288 148 G C 0.200 175.136 174.900 0.060 0.000 1.300 148 G CA 1.475 46.607 45.100 0.053 0.000 1.261 148 G HN 1.593 nan 8.290 nan 0.000 0.591 149 S N -0.509 115.235 115.700 0.073 0.000 2.554 149 S HA 0.264 4.735 4.470 0.002 0.000 0.278 149 S C 0.724 175.347 174.600 0.037 0.000 1.242 149 S CA -0.632 57.620 58.200 0.086 0.000 1.051 149 S CB 1.246 64.546 63.200 0.166 0.000 0.986 149 S HN 0.206 nan 8.310 nan 0.000 0.502 150 D N 2.723 123.076 120.400 -0.078 0.000 2.317 150 D HA 0.070 4.711 4.640 0.002 0.000 0.211 150 D C -0.098 176.010 176.300 -0.320 0.000 0.966 150 D CA 0.309 54.171 54.000 -0.230 0.000 0.876 150 D CB 0.092 40.646 40.800 -0.411 0.000 0.927 150 D HN 0.586 nan 8.370 nan 0.000 0.519 151 W N 1.375 122.627 121.300 -0.081 0.000 2.137 151 W HA 0.208 4.869 4.660 0.002 0.000 0.344 151 W C 1.187 177.683 176.519 -0.039 0.000 1.286 151 W CA -0.307 56.999 57.345 -0.066 0.000 1.240 151 W CB 0.751 30.188 29.460 -0.038 0.000 1.141 151 W HN -0.394 nan 8.180 nan 0.000 0.579 152 R N 1.245 121.924 120.500 0.299 0.000 2.799 152 R HA 0.400 4.742 4.340 0.002 0.000 0.270 152 R C -1.203 175.161 176.300 0.106 0.000 1.010 152 R CA -1.164 55.029 56.100 0.155 0.000 0.916 152 R CB 2.045 32.405 30.300 0.100 0.000 1.228 152 R HN 0.516 nan 8.270 nan 0.000 0.469 153 E N 1.359 121.589 120.200 0.050 0.000 2.248 153 E HA 0.454 4.805 4.350 0.002 0.000 0.267 153 E C -0.538 176.014 176.600 -0.079 0.000 0.877 153 E CA -0.685 55.688 56.400 -0.046 0.000 0.759 153 E CB 2.671 32.355 29.700 -0.026 0.000 1.182 153 E HN 0.341 nan 8.360 nan 0.000 0.418 154 I N 3.338 123.767 120.570 -0.234 0.000 2.312 154 I HA 0.202 4.373 4.170 0.002 0.000 0.290 154 I C -0.416 175.457 176.117 -0.407 0.000 1.008 154 I CA -0.490 60.638 61.300 -0.286 0.000 1.226 154 I CB 0.412 38.206 38.000 -0.344 0.000 1.371 154 I HN 0.396 nan 8.210 nan 0.000 0.468 155 H N 6.091 124.796 119.070 -0.609 0.000 2.482 155 H HA 0.590 5.147 4.556 0.002 0.000 0.344 155 H C -0.644 174.398 175.328 -0.476 0.000 1.151 155 H CA -0.291 55.378 56.048 -0.632 0.000 1.300 155 H CB 1.263 30.427 29.762 -0.997 0.000 1.494 155 H HN 0.396 nan 8.280 nan 0.000 0.542 156 L N 2.832 123.997 121.223 -0.097 0.000 2.372 156 L HA 0.397 4.738 4.340 0.002 0.000 0.274 156 L C -0.703 176.261 176.870 0.157 0.000 0.988 156 L CA -0.286 54.598 54.840 0.075 0.000 0.833 156 L CB 1.255 43.383 42.059 0.115 0.000 1.236 156 L HN 0.423 nan 8.230 nan 0.000 0.410 157 M N 2.887 122.628 119.600 0.236 0.000 2.393 157 M HA 0.335 4.816 4.480 0.002 0.000 0.316 157 M C -1.199 175.213 176.300 0.187 0.000 1.087 157 M CA -0.575 54.854 55.300 0.214 0.000 0.937 157 M CB 2.254 35.005 32.600 0.251 0.000 1.668 157 M HN 0.538 nan 8.290 nan 0.000 0.438 158 D N 3.081 123.572 120.400 0.152 0.000 2.325 158 D HA 0.205 4.846 4.640 0.002 0.000 0.251 158 D C 1.282 177.688 176.300 0.177 0.000 1.196 158 D CA -0.382 53.706 54.000 0.146 0.000 0.866 158 D CB 1.125 41.993 40.800 0.114 0.000 1.101 158 D HN 0.464 nan 8.370 nan 0.000 0.476 159 V N 2.086 122.131 119.914 0.218 0.000 2.594 159 V HA -0.127 3.995 4.120 0.002 0.000 0.253 159 V C 1.568 177.807 176.094 0.242 0.000 1.069 159 V CA 1.177 63.660 62.300 0.305 0.000 1.082 159 V CB -0.386 31.605 31.823 0.281 0.000 0.680 159 V HN 0.474 nan 8.190 nan 0.000 0.469 160 E N 1.944 122.254 120.200 0.184 0.000 2.046 160 E HA -0.098 4.253 4.350 0.002 0.000 0.190 160 E C 2.580 179.254 176.600 0.122 0.000 0.982 160 E CA 1.899 58.397 56.400 0.164 0.000 0.800 160 E CB -0.444 29.346 29.700 0.150 0.000 0.756 160 E HN 0.875 nan 8.360 nan 0.000 0.449 161 S N 0.056 115.817 115.700 0.102 0.000 2.496 161 S HA 0.014 4.485 4.470 0.002 0.000 0.224 161 S C 0.858 175.487 174.600 0.049 0.000 0.996 161 S CA 0.420 58.660 58.200 0.067 0.000 0.927 161 S CB 0.021 63.256 63.200 0.058 0.000 0.774 161 S HN 0.179 nan 8.310 nan 0.000 0.524 162 K N -0.157 120.285 120.400 0.070 0.000 3.341 162 K HA -0.127 4.194 4.320 0.002 0.000 0.305 162 K C -0.691 175.901 176.600 -0.013 0.000 1.270 162 K CA 0.946 57.237 56.287 0.007 0.000 0.897 162 K CB -1.164 31.294 32.500 -0.070 0.000 1.264 162 K HN 0.498 nan 8.250 nan 0.000 0.468 163 Q N -0.193 119.625 119.800 0.030 0.000 2.248 163 Q HA 0.384 4.725 4.340 0.002 0.000 0.263 163 Q C -2.528 173.509 176.000 0.061 0.000 1.007 163 Q CA -2.371 53.451 55.803 0.031 0.000 0.877 163 Q CB 0.964 29.719 28.738 0.029 0.000 1.315 163 Q HN -0.122 nan 8.270 nan 0.000 0.454 164 P HA -0.037 nan 4.420 nan 0.000 0.265 164 P C 0.295 177.635 177.300 0.067 0.000 1.193 164 P CA 0.037 63.183 63.100 0.076 0.000 0.765 164 P CB 0.509 32.243 31.700 0.057 0.000 0.823 165 L N 3.344 124.617 121.223 0.083 0.000 2.168 165 L HA 0.168 4.509 4.340 0.002 0.000 0.203 165 L C 0.600 177.507 176.870 0.062 0.000 1.078 165 L CA 1.738 56.629 54.840 0.085 0.000 0.780 165 L CB -0.049 42.086 42.059 0.126 0.000 0.939 165 L HN 0.366 nan 8.230 nan 0.000 0.451 166 E N -1.720 118.507 120.200 0.044 0.000 2.456 166 E HA 0.239 4.590 4.350 0.002 0.000 0.276 166 E C -1.039 175.533 176.600 -0.046 0.000 0.981 166 E CA -0.746 55.661 56.400 0.013 0.000 0.814 166 E CB 1.024 30.748 29.700 0.041 0.000 1.382 166 E HN -0.143 nan 8.360 nan 0.000 0.459 167 T N 2.109 116.618 114.554 -0.074 0.000 2.919 167 T HA 0.196 4.547 4.350 0.002 0.000 0.302 167 T C -2.183 172.382 174.700 -0.225 0.000 1.031 167 T CA -1.412 60.611 62.100 -0.129 0.000 1.127 167 T CB 0.353 69.156 68.868 -0.108 0.000 0.952 167 T HN 0.166 nan 8.240 nan 0.000 0.540 168 P HA 0.170 nan 4.420 nan 0.000 0.269 168 P C -0.390 176.664 177.300 -0.410 0.000 1.215 168 P CA -0.301 62.490 63.100 -0.514 0.000 0.780 168 P CB 0.475 31.601 31.700 -0.957 0.000 0.898 169 L N 2.288 123.249 121.223 -0.437 0.000 2.380 169 L HA 0.240 4.582 4.340 0.002 0.000 0.273 169 L C 1.140 177.822 176.870 -0.314 0.000 1.138 169 L CA -0.023 54.565 54.840 -0.421 0.000 0.832 169 L CB 0.049 41.761 42.059 -0.578 0.000 1.124 169 L HN 0.335 nan 8.230 nan 0.000 0.454 170 K N 1.472 121.728 120.400 -0.241 0.000 2.258 170 K HA 0.302 4.623 4.320 0.002 0.000 0.236 170 K C -0.477 176.066 176.600 -0.094 0.000 1.008 170 K CA -0.933 55.252 56.287 -0.170 0.000 0.869 170 K CB 1.027 33.419 32.500 -0.179 0.000 1.171 170 K HN 0.513 nan 8.250 nan 0.000 0.447 171 D N -0.072 120.283 120.400 -0.074 0.000 2.751 171 D HA -0.142 4.500 4.640 0.002 0.000 0.233 171 D C -0.575 175.955 176.300 0.384 0.000 1.149 171 D CA 0.624 54.648 54.000 0.039 0.000 0.682 171 D CB -1.585 39.165 40.800 -0.084 0.000 1.068 171 D HN 0.080 nan 8.370 nan 0.000 0.429 172 V N -0.181 119.922 119.914 0.315 0.000 2.743 172 V HA 0.544 4.665 4.120 0.002 0.000 0.301 172 V C 0.563 176.833 176.094 0.292 0.000 1.057 172 V CA -0.120 62.355 62.300 0.292 0.000 1.006 172 V CB 2.192 34.097 31.823 0.136 0.000 1.024 172 V HN 0.203 nan 8.190 nan 0.000 0.473 173 K N 2.575 123.088 120.400 0.189 0.000 2.557 173 K HA 0.468 4.789 4.320 0.002 0.000 0.261 173 K C -1.085 175.541 176.600 0.044 0.000 0.932 173 K CA -0.700 55.510 56.287 -0.128 0.000 0.829 173 K CB 0.856 33.072 32.500 -0.474 0.000 1.358 173 K HN 0.287 nan 8.250 nan 0.000 0.430 174 F N 0.178 120.226 119.950 0.164 0.000 2.943 174 F HA -0.214 4.314 4.527 0.002 0.000 0.258 174 F C -0.071 175.890 175.800 0.268 0.000 0.995 174 F CA 1.132 59.241 58.000 0.181 0.000 0.896 174 F CB -1.906 37.197 39.000 0.171 0.000 0.821 174 F HN 0.357 nan 8.300 nan 0.000 0.828 175 S N -0.685 115.210 115.700 0.326 0.000 2.536 175 S HA 0.887 5.359 4.470 0.002 0.000 0.298 175 S C 0.356 175.075 174.600 0.197 0.000 1.083 175 S CA 0.031 58.390 58.200 0.264 0.000 0.995 175 S CB 1.818 65.180 63.200 0.270 0.000 1.058 175 S HN 0.678 nan 8.310 nan 0.000 0.488 176 G N 1.627 110.537 108.800 0.184 0.000 2.613 176 G HA2 0.727 4.689 3.960 0.002 0.000 0.303 176 G HA3 0.727 4.689 3.960 0.002 0.000 0.303 176 G C -1.146 173.853 174.900 0.165 0.000 1.312 176 G CA -0.742 44.448 45.100 0.150 0.000 1.036 176 G HN 0.744 nan 8.290 nan 0.000 0.513 177 I N 0.436 121.084 120.570 0.129 0.000 2.497 177 I HA 0.325 4.496 4.170 0.002 0.000 0.284 177 I C -0.516 175.690 176.117 0.149 0.000 1.060 177 I CA -0.394 60.948 61.300 0.070 0.000 1.071 177 I CB 2.181 40.095 38.000 -0.143 0.000 1.216 177 I HN 0.386 nan 8.210 nan 0.000 0.442 178 S N 5.696 121.554 115.700 0.264 0.000 2.707 178 S HA 0.501 4.972 4.470 0.002 0.000 0.303 178 S C -1.235 173.651 174.600 0.477 0.000 1.132 178 S CA -0.430 57.985 58.200 0.358 0.000 1.046 178 S CB 0.658 64.055 63.200 0.327 0.000 1.004 178 S HN 0.401 nan 8.310 nan 0.000 0.483 179 W N 3.863 125.393 121.300 0.384 0.000 2.202 179 W HA 0.453 5.114 4.660 0.002 0.000 0.332 179 W C -0.001 176.763 176.519 0.408 0.000 1.263 179 W CA -0.534 57.054 57.345 0.406 0.000 1.223 179 W CB 0.617 30.252 29.460 0.292 0.000 1.128 179 W HN 0.454 nan 8.180 nan 0.000 0.573 180 L N 4.679 126.317 121.223 0.693 0.000 2.301 180 L HA 0.628 4.969 4.340 0.002 0.000 0.278 180 L C 0.710 177.858 176.870 0.464 0.000 1.022 180 L CA 0.380 55.535 54.840 0.525 0.000 0.854 180 L CB 0.071 42.412 42.059 0.469 0.000 1.226 180 L HN 0.784 nan 8.230 nan 0.000 0.429 181 G N 4.748 113.764 108.800 0.359 0.000 2.651 181 G HA2 -0.391 3.571 3.960 0.002 0.000 0.315 181 G HA3 -0.391 3.571 3.960 0.002 0.000 0.315 181 G C 0.618 175.695 174.900 0.296 0.000 1.258 181 G CA 0.600 45.856 45.100 0.260 0.000 1.002 181 G HN 0.688 nan 8.290 nan 0.000 0.551 182 N N 1.214 120.062 118.700 0.246 0.000 2.235 182 N HA 0.173 4.914 4.740 0.002 0.000 0.231 182 N C 1.517 177.239 175.510 0.354 0.000 1.177 182 N CA 0.664 53.849 53.050 0.225 0.000 0.874 182 N CB 0.968 39.509 38.487 0.089 0.000 1.097 182 N HN 0.740 nan 8.380 nan 0.000 0.518 183 E N 0.382 120.816 120.200 0.390 0.000 2.086 183 E HA 0.146 4.498 4.350 0.002 0.000 0.190 183 E C 1.043 177.811 176.600 0.280 0.000 0.975 183 E CA 0.488 57.079 56.400 0.318 0.000 0.813 183 E CB 0.409 30.297 29.700 0.314 0.000 0.768 183 E HN 0.282 nan 8.360 nan 0.000 0.457 184 G N 0.048 109.045 108.800 0.327 0.000 2.323 184 G HA2 0.355 4.316 3.960 0.002 0.000 0.291 184 G HA3 0.355 4.316 3.960 0.002 0.000 0.291 184 G C -1.819 172.785 174.900 -0.493 0.000 1.278 184 G CA -0.631 44.240 45.100 -0.382 0.000 0.860 184 G HN 0.132 nan 8.290 nan 0.000 0.504 185 F N -1.863 117.467 119.950 -1.032 0.000 2.645 185 F HA 0.870 5.398 4.527 0.002 0.000 0.310 185 F C -1.391 174.134 175.800 -0.460 0.000 1.102 185 F CA -2.098 55.520 58.000 -0.638 0.000 0.952 185 F CB 1.101 39.511 39.000 -0.982 0.000 1.326 185 F HN 0.406 nan 8.300 nan 0.000 0.456 186 F N 1.986 122.120 119.950 0.306 0.000 2.379 186 F HA 0.647 5.175 4.527 0.002 0.000 0.332 186 F C -0.213 175.816 175.800 0.382 0.000 1.096 186 F CA -0.548 57.627 58.000 0.292 0.000 1.105 186 F CB 1.297 40.447 39.000 0.249 0.000 1.189 186 F HN 0.656 nan 8.300 nan 0.000 0.515 187 Y N -1.710 118.797 120.300 0.344 0.000 2.705 187 Y HA 0.768 5.319 4.550 0.002 0.000 0.332 187 Y C -1.350 174.659 175.900 0.182 0.000 1.221 187 Y CA -1.467 56.782 58.100 0.249 0.000 1.059 187 Y CB 0.973 39.585 38.460 0.253 0.000 1.298 187 Y HN 0.351 nan 8.280 nan 0.000 0.459 188 S N 0.960 116.753 115.700 0.155 0.000 2.532 188 S HA 0.797 5.268 4.470 0.002 0.000 0.301 188 S C -1.109 173.525 174.600 0.056 0.000 1.083 188 S CA -0.693 57.426 58.200 -0.134 0.000 1.025 188 S CB 1.596 64.543 63.200 -0.422 0.000 1.056 188 S HN 0.817 nan 8.310 nan 0.000 0.494 189 S N 0.134 115.814 115.700 -0.034 0.000 2.552 189 S HA 0.483 4.954 4.470 0.002 0.000 0.272 189 S C -0.961 173.781 174.600 0.237 0.000 1.150 189 S CA -0.502 57.835 58.200 0.229 0.000 0.849 189 S CB 0.490 63.903 63.200 0.355 0.000 1.113 189 S HN 0.612 nan 8.310 nan 0.000 0.458 190 Y N 1.536 122.112 120.300 0.459 0.000 2.475 190 Y HA 0.221 4.773 4.550 0.002 0.000 0.289 190 Y C 1.242 177.310 175.900 0.279 0.000 1.121 190 Y CA 0.467 58.786 58.100 0.364 0.000 1.257 190 Y CB 0.192 38.808 38.460 0.259 0.000 1.026 190 Y HN 0.556 nan 8.280 nan 0.000 0.555 191 D N -0.464 120.172 120.400 0.394 0.000 2.589 191 D HA 0.268 4.909 4.640 0.002 0.000 0.268 191 D C -0.514 175.892 176.300 0.177 0.000 1.182 191 D CA -0.537 53.614 54.000 0.252 0.000 1.087 191 D CB 0.708 41.617 40.800 0.182 0.000 1.186 191 D HN -0.079 nan 8.370 nan 0.000 0.620 192 K N 0.879 121.328 120.400 0.080 0.000 2.507 192 K HA 0.486 4.807 4.320 0.002 0.000 0.253 192 K C -2.281 174.260 176.600 -0.099 0.000 0.969 192 K CA -1.151 55.137 56.287 0.002 0.000 0.908 192 K CB 1.835 34.393 32.500 0.097 0.000 1.127 192 K HN 0.152 nan 8.250 nan 0.000 0.437 203 D N 1.740 122.090 120.400 -0.083 0.000 2.696 203 D HA 0.117 4.758 4.640 0.002 0.000 0.269 203 D C -0.116 176.235 176.300 0.086 0.000 1.319 203 D CA -0.372 53.554 54.000 -0.122 0.000 0.826 203 D CB 0.533 41.252 40.800 -0.134 0.000 1.086 203 D HN 0.665 nan 8.370 nan 0.000 0.481 204 Q N 0.834 120.751 119.800 0.195 0.000 2.462 204 Q HA 0.205 4.546 4.340 0.002 0.000 0.247 204 Q C -0.659 175.564 176.000 0.373 0.000 1.044 204 Q CA -0.393 55.512 55.803 0.170 0.000 0.803 204 Q CB 1.538 30.214 28.738 -0.102 0.000 1.190 204 Q HN 0.366 nan 8.270 nan 0.000 0.507 205 H N 2.381 121.572 119.070 0.202 0.000 2.683 205 H HA 0.232 4.790 4.556 0.002 0.000 0.339 205 H C -0.543 174.803 175.328 0.031 0.000 1.081 205 H CA 0.122 56.114 56.048 -0.094 0.000 1.432 205 H CB 0.786 30.451 29.762 -0.161 0.000 1.462 205 H HN 0.359 nan 8.280 nan 0.000 0.557 206 K N 2.893 123.237 120.400 -0.093 0.000 2.385 206 K HA 0.357 4.678 4.320 0.002 0.000 0.248 206 K C -1.239 175.165 176.600 -0.326 0.000 0.955 206 K CA -0.961 55.228 56.287 -0.163 0.000 0.816 206 K CB 2.875 35.238 32.500 -0.228 0.000 1.250 206 K HN 0.216 nan 8.250 nan 0.000 0.434 207 V N 2.846 122.589 119.914 -0.285 0.000 2.439 207 V HA 0.344 4.466 4.120 0.002 0.000 0.282 207 V C -1.080 174.739 176.094 -0.459 0.000 1.039 207 V CA -0.443 61.708 62.300 -0.248 0.000 0.913 207 V CB 0.330 32.121 31.823 -0.053 0.000 0.983 207 V HN 0.565 nan 8.190 nan 0.000 0.460 208 Y N 3.560 123.669 120.300 -0.318 0.000 2.536 208 Y HA 0.603 5.154 4.550 0.002 0.000 0.347 208 Y C -0.559 175.187 175.900 -0.257 0.000 1.000 208 Y CA -0.967 56.917 58.100 -0.361 0.000 1.051 208 Y CB 2.094 40.118 38.460 -0.726 0.000 1.259 208 Y HN 0.581 nan 8.280 nan 0.000 0.468 209 F N 2.294 122.179 119.950 -0.107 0.000 2.449 209 F HA 0.396 4.924 4.527 0.002 0.000 0.342 209 F C -0.820 174.847 175.800 -0.221 0.000 1.127 209 F CA -0.829 56.950 58.000 -0.369 0.000 0.975 209 F CB 0.558 39.221 39.000 -0.561 0.000 1.146 209 F HN 0.554 nan 8.300 nan 0.000 0.444 210 H N 5.812 124.190 119.070 -1.153 0.000 2.556 210 H HA 0.402 4.959 4.556 0.002 0.000 0.310 210 H C -0.621 173.901 175.328 -1.344 0.000 1.057 210 H CA -0.538 54.909 56.048 -1.002 0.000 1.264 210 H CB 0.666 29.772 29.762 -1.094 0.000 1.404 210 H HN 0.731 nan 8.280 nan 0.000 0.462 211 R N 5.531 125.296 120.500 -1.224 0.000 2.297 211 R HA 0.284 4.625 4.340 0.002 0.000 0.308 211 R C -0.472 175.337 176.300 -0.817 0.000 1.029 211 R CA -0.698 54.933 56.100 -0.781 0.000 0.929 211 R CB 0.554 30.707 30.300 -0.246 0.000 1.046 211 R HN 0.668 nan 8.270 nan 0.000 0.461 212 L N 3.859 124.825 121.223 -0.429 0.000 2.490 212 L HA 0.098 4.439 4.340 0.002 0.000 0.274 212 L C 1.306 178.104 176.870 -0.120 0.000 1.201 212 L CA 1.094 55.827 54.840 -0.179 0.000 0.869 212 L CB 0.821 42.930 42.059 0.083 0.000 1.123 212 L HN 1.136 nan 8.230 nan 0.000 0.484 213 G N 1.371 110.136 108.800 -0.058 0.000 2.141 213 G HA2 -0.234 3.728 3.960 0.002 0.000 0.231 213 G HA3 -0.234 3.728 3.960 0.002 0.000 0.231 213 G C 0.152 175.021 174.900 -0.051 0.000 0.984 213 G CA 0.166 45.250 45.100 -0.027 0.000 0.660 213 G HN 0.855 nan 8.290 nan 0.000 0.525 214 T N -2.579 111.913 114.554 -0.104 0.000 2.887 214 T HA 0.891 5.242 4.350 0.002 0.000 0.292 214 T C 0.112 174.820 174.700 0.013 0.000 1.087 214 T CA 0.348 62.403 62.100 -0.075 0.000 1.009 214 T CB 2.094 70.881 68.868 -0.136 0.000 1.203 214 T HN 1.752 nan 8.240 nan 0.000 0.518 215 A N 0.745 123.577 122.820 0.020 0.000 2.340 215 A HA 0.425 4.746 4.320 0.002 0.000 0.268 215 A C 1.440 179.062 177.584 0.063 0.000 1.100 215 A CA -0.337 51.723 52.037 0.038 0.000 0.803 215 A CB 0.506 19.506 19.000 -0.001 0.000 1.043 215 A HN 1.095 nan 8.150 nan 0.000 0.488 216 Q N 0.930 120.741 119.800 0.018 0.000 2.152 216 Q HA -0.258 4.083 4.340 0.002 0.000 0.206 216 Q C 1.617 177.603 176.000 -0.024 0.000 0.985 216 Q CA 2.360 58.145 55.803 -0.030 0.000 0.863 216 Q CB -0.211 28.428 28.738 -0.165 0.000 0.904 216 Q HN 0.939 nan 8.270 nan 0.000 0.422 217 E N -0.568 119.611 120.200 -0.034 0.000 2.331 217 E HA -0.211 4.141 4.350 0.002 0.000 0.199 217 E C 0.460 177.057 176.600 -0.004 0.000 1.008 217 E CA 1.256 57.637 56.400 -0.031 0.000 0.843 217 E CB -0.049 29.634 29.700 -0.027 0.000 0.761 217 E HN 0.441 nan 8.360 nan 0.000 0.507 218 D N 1.363 121.769 120.400 0.010 0.000 2.340 218 D HA 0.041 4.683 4.640 0.002 0.000 0.217 218 D C -0.487 175.839 176.300 0.042 0.000 1.081 218 D CA 0.024 54.037 54.000 0.021 0.000 0.842 218 D CB 0.022 40.825 40.800 0.005 0.000 0.934 218 D HN 0.117 nan 8.370 nan 0.000 0.511 219 D N 1.499 121.935 120.400 0.060 0.000 2.493 219 D HA -0.027 4.615 4.640 0.002 0.000 0.240 219 D C 0.737 177.153 176.300 0.194 0.000 1.142 219 D CA 0.222 54.288 54.000 0.110 0.000 0.872 219 D CB 0.836 41.721 40.800 0.142 0.000 1.173 219 D HN -0.033 nan 8.370 nan 0.000 0.467 220 R N 2.762 123.377 120.500 0.192 0.000 2.401 220 R HA 0.117 4.458 4.340 0.002 0.000 0.299 220 R C -0.169 176.252 176.300 0.201 0.000 1.064 220 R CA -0.645 55.563 56.100 0.180 0.000 1.000 220 R CB 0.426 30.809 30.300 0.139 0.000 0.973 220 R HN 0.370 nan 8.270 nan 0.000 0.438 221 L N 6.857 128.155 121.223 0.125 0.000 2.369 221 L HA 0.081 4.423 4.340 0.002 0.000 0.279 221 L C 0.144 176.962 176.870 -0.086 0.000 1.108 221 L CA 0.411 55.175 54.840 -0.127 0.000 0.852 221 L CB 1.391 43.407 42.059 -0.073 0.000 1.169 221 L HN 0.674 nan 8.230 nan 0.000 0.452 222 V N 7.116 126.961 119.914 -0.115 0.000 2.795 222 V HA 0.149 4.270 4.120 0.002 0.000 0.243 222 V C 0.405 176.546 176.094 0.077 0.000 1.069 222 V CA 0.563 62.885 62.300 0.036 0.000 1.089 222 V CB -0.065 31.854 31.823 0.161 0.000 0.756 222 V HN 0.751 nan 8.190 nan 0.000 0.471 223 F N -1.484 118.353 119.950 -0.189 0.000 2.678 223 F HA 0.624 5.152 4.527 0.002 0.000 0.308 223 F C 0.433 176.147 175.800 -0.144 0.000 1.118 223 F CA 0.307 58.212 58.000 -0.157 0.000 0.959 223 F CB 1.715 40.624 39.000 -0.151 0.000 1.305 223 F HN 0.092 nan 8.300 nan 0.000 0.443 224 G N 1.862 110.211 108.800 -0.751 0.000 2.201 224 G HA2 -0.131 3.830 3.960 0.002 0.000 0.212 224 G HA3 -0.131 3.830 3.960 0.002 0.000 0.212 224 G C 0.596 175.436 174.900 -0.099 0.000 0.994 224 G CA 0.234 45.117 45.100 -0.360 0.000 0.644 224 G HN 1.518 nan 8.290 nan 0.000 0.508 225 A N 0.221 122.965 122.820 -0.127 0.000 1.887 225 A HA 0.640 4.962 4.320 0.002 0.000 0.212 225 A C 1.519 179.129 177.584 0.042 0.000 1.198 225 A CA 1.190 53.234 52.037 0.012 0.000 0.628 225 A CB -0.352 18.635 19.000 -0.022 0.000 0.847 225 A HN 1.539 nan 8.150 nan 0.000 0.449 226 I N -2.986 117.503 120.570 -0.135 0.000 2.779 226 I HA 0.252 4.423 4.170 0.002 0.000 0.285 226 I C -1.976 173.837 176.117 -0.506 0.000 1.134 226 I CA -1.649 59.522 61.300 -0.214 0.000 1.398 226 I CB 0.411 38.296 38.000 -0.193 0.000 1.404 226 I HN -0.097 nan 8.210 nan 0.000 0.587 227 P HA -0.273 nan 4.420 nan 0.000 0.217 227 P C 1.408 178.364 177.300 -0.573 0.000 1.158 227 P CA 2.512 65.076 63.100 -0.893 0.000 0.887 227 P CB 0.033 31.498 31.700 -0.391 0.000 0.792 228 A N -1.033 121.590 122.820 -0.329 0.000 2.178 228 A HA -0.199 4.122 4.320 0.002 0.000 0.218 228 A C 1.891 179.372 177.584 -0.172 0.000 1.157 228 A CA 1.384 53.307 52.037 -0.191 0.000 0.689 228 A CB -0.903 18.028 19.000 -0.116 0.000 0.787 228 A HN 0.305 nan 8.150 nan 0.000 0.465 229 Q N -1.079 118.538 119.800 -0.304 0.000 2.247 229 Q HA 0.098 4.439 4.340 0.002 0.000 0.211 229 Q C -0.635 175.341 176.000 -0.039 0.000 0.861 229 Q CA -0.258 55.338 55.803 -0.345 0.000 0.949 229 Q CB 0.260 28.398 28.738 -1.001 0.000 1.115 229 Q HN 0.818 nan 8.270 nan 0.000 0.507 230 H N 0.728 119.706 119.070 -0.153 0.000 3.046 230 H HA 0.063 4.621 4.556 0.002 0.000 0.303 230 H C -0.618 174.582 175.328 -0.214 0.000 1.002 230 H CA 0.171 56.158 56.048 -0.100 0.000 1.460 230 H CB 0.297 29.998 29.762 -0.101 0.000 1.493 230 H HN 0.148 nan 8.280 nan 0.000 0.559 231 H N 0.636 119.829 119.070 0.204 0.000 3.012 231 H HA 0.153 4.710 4.556 0.002 0.000 0.367 231 H C 0.758 176.162 175.328 0.126 0.000 1.211 231 H CA -0.867 55.291 56.048 0.183 0.000 1.139 231 H CB 1.529 31.454 29.762 0.272 0.000 1.838 231 H HN 0.488 nan 8.280 nan 0.000 0.550 232 R N 0.748 121.314 120.500 0.109 0.000 2.119 232 R HA 0.034 4.376 4.340 0.002 0.000 0.222 232 R C -0.631 175.447 176.300 -0.370 0.000 1.088 232 R CA 1.199 57.179 56.100 -0.201 0.000 0.984 232 R CB 0.342 30.313 30.300 -0.547 0.000 0.884 232 R HN 0.488 nan 8.270 nan 0.000 0.447 233 Y N -0.287 120.185 120.300 0.287 0.000 2.386 233 Y HA 0.350 4.901 4.550 0.002 0.000 0.334 233 Y C -0.556 175.538 175.900 0.324 0.000 1.002 233 Y CA -1.374 56.900 58.100 0.290 0.000 1.068 233 Y CB 2.108 40.636 38.460 0.113 0.000 1.203 233 Y HN -0.195 nan 8.280 nan 0.000 0.443 234 V N -0.170 120.078 119.914 0.556 0.000 2.914 234 V HA 1.130 5.251 4.120 0.002 0.000 0.314 234 V C -0.301 175.847 176.094 0.091 0.000 1.084 234 V CA -0.787 61.629 62.300 0.192 0.000 0.963 234 V CB 1.811 33.709 31.823 0.124 0.000 1.025 234 V HN 0.947 nan 8.190 nan 0.000 0.432 235 G N 0.872 109.670 108.800 -0.003 0.000 2.660 235 G HA2 0.948 4.909 3.960 0.002 0.000 0.294 235 G HA3 0.948 4.909 3.960 0.002 0.000 0.294 235 G C -1.084 173.778 174.900 -0.065 0.000 1.369 235 G CA -0.424 44.678 45.100 0.004 0.000 0.912 235 G HN 1.719 nan 8.290 nan 0.000 0.479 236 A N 0.381 123.187 122.820 -0.024 0.000 2.427 236 A HA 0.894 5.216 4.320 0.002 0.000 0.298 236 A C -0.518 177.056 177.584 -0.016 0.000 1.036 236 A CA -0.579 51.408 52.037 -0.083 0.000 0.701 236 A CB 1.926 20.864 19.000 -0.103 0.000 1.250 236 A HN 0.857 nan 8.150 nan 0.000 0.412 237 T N 1.328 115.847 114.554 -0.059 0.000 2.916 237 T HA 0.541 4.893 4.350 0.002 0.000 0.298 237 T C -0.858 173.851 174.700 0.014 0.000 1.031 237 T CA -0.398 61.718 62.100 0.027 0.000 0.993 237 T CB 1.566 70.457 68.868 0.038 0.000 1.045 237 T HN 0.568 nan 8.240 nan 0.000 0.454 238 V N 3.638 123.619 119.914 0.112 0.000 2.435 238 V HA 0.485 4.606 4.120 0.002 0.000 0.290 238 V C 0.990 177.184 176.094 0.168 0.000 1.030 238 V CA -0.871 61.514 62.300 0.143 0.000 0.881 238 V CB 1.668 33.653 31.823 0.271 0.000 0.983 238 V HN 1.130 nan 8.190 nan 0.000 0.445 239 T N 0.617 115.277 114.554 0.177 0.000 2.900 239 T HA 0.076 4.427 4.350 0.002 0.000 0.307 239 T C 1.104 175.899 174.700 0.158 0.000 1.065 239 T CA -0.025 62.186 62.100 0.184 0.000 1.105 239 T CB 0.811 69.836 68.868 0.261 0.000 0.979 239 T HN 0.810 nan 8.240 nan 0.000 0.544 240 E N 0.804 121.066 120.200 0.103 0.000 2.171 240 E HA -0.242 4.109 4.350 0.002 0.000 0.197 240 E C 1.246 177.898 176.600 0.085 0.000 0.997 240 E CA 1.657 58.072 56.400 0.025 0.000 0.810 240 E CB -0.134 29.415 29.700 -0.252 0.000 0.738 240 E HN 0.882 nan 8.360 nan 0.000 0.467 241 D N -0.451 120.045 120.400 0.161 0.000 2.328 241 D HA -0.096 4.546 4.640 0.002 0.000 0.226 241 D C -0.030 176.328 176.300 0.098 0.000 1.066 241 D CA 0.361 54.450 54.000 0.148 0.000 0.861 241 D CB -0.096 40.806 40.800 0.170 0.000 0.912 241 D HN 0.051 nan 8.370 nan 0.000 0.521 242 D N -0.060 120.409 120.400 0.114 0.000 3.059 242 D HA -0.252 4.390 4.640 0.002 0.000 0.220 242 D C 1.098 177.410 176.300 0.020 0.000 1.169 242 D CA 0.764 54.826 54.000 0.103 0.000 0.902 242 D CB -0.958 39.909 40.800 0.111 0.000 1.116 242 D HN 0.470 nan 8.370 nan 0.000 0.417 243 R N -0.791 119.682 120.500 -0.045 0.000 2.112 243 R HA 0.087 4.429 4.340 0.002 0.000 0.216 243 R C 0.351 176.358 176.300 -0.489 0.000 1.080 243 R CA 0.726 56.642 56.100 -0.307 0.000 0.996 243 R CB 0.377 30.399 30.300 -0.463 0.000 0.902 243 R HN -0.027 nan 8.270 nan 0.000 0.449 244 F N 0.254 120.235 119.950 0.052 0.000 2.546 244 F HA 0.363 4.891 4.527 0.002 0.000 0.320 244 F C -0.652 175.138 175.800 -0.017 0.000 1.076 244 F CA -1.288 56.724 58.000 0.020 0.000 0.928 244 F CB 1.752 40.768 39.000 0.026 0.000 1.189 244 F HN -0.188 nan 8.300 nan 0.000 0.465 245 L N 4.416 125.727 121.223 0.147 0.000 2.287 245 L HA 0.603 4.944 4.340 0.002 0.000 0.287 245 L C -1.674 175.165 176.870 -0.052 0.000 1.022 245 L CA -0.374 54.421 54.840 -0.076 0.000 0.814 245 L CB 0.820 42.722 42.059 -0.262 0.000 1.217 245 L HN 0.381 nan 8.230 nan 0.000 0.420 246 L N 6.990 128.160 121.223 -0.088 0.000 2.313 246 L HA 0.511 4.852 4.340 0.002 0.000 0.283 246 L C -0.462 176.321 176.870 -0.145 0.000 1.013 246 L CA -0.246 54.542 54.840 -0.086 0.000 0.816 246 L CB 1.639 43.660 42.059 -0.064 0.000 1.236 246 L HN 0.651 nan 8.230 nan 0.000 0.419 247 I N 2.651 123.125 120.570 -0.159 0.000 2.389 247 I HA 0.267 4.438 4.170 0.002 0.000 0.288 247 I C 0.278 176.261 176.117 -0.224 0.000 0.999 247 I CA -0.292 60.851 61.300 -0.261 0.000 1.129 247 I CB 2.173 39.888 38.000 -0.474 0.000 1.288 247 I HN 0.621 nan 8.210 nan 0.000 0.444 248 S N 5.088 120.668 115.700 -0.199 0.000 2.565 248 S HA 0.905 5.376 4.470 0.002 0.000 0.290 248 S C -0.491 174.008 174.600 -0.168 0.000 1.150 248 S CA -0.664 57.447 58.200 -0.148 0.000 1.058 248 S CB 2.243 65.395 63.200 -0.081 0.000 1.032 248 S HN 0.733 nan 8.310 nan 0.000 0.510 249 A N 1.017 123.745 122.820 -0.153 0.000 2.408 249 A HA 0.905 5.226 4.320 0.002 0.000 0.295 249 A C -0.441 177.101 177.584 -0.070 0.000 1.040 249 A CA -0.460 51.441 52.037 -0.227 0.000 0.707 249 A CB 1.148 19.741 19.000 -0.679 0.000 1.235 249 A HN 1.803 nan 8.150 nan 0.000 0.418 250 A N 1.468 124.391 122.820 0.171 0.000 2.587 250 A HA 0.752 5.073 4.320 0.002 0.000 0.293 250 A C -0.191 177.630 177.584 0.396 0.000 1.087 250 A CA -0.552 51.660 52.037 0.292 0.000 0.692 250 A CB 0.964 20.097 19.000 0.221 0.000 1.291 250 A HN 0.809 nan 8.150 nan 0.000 0.407 251 N N -0.799 118.092 118.700 0.318 0.000 2.273 251 N HA 0.185 4.926 4.740 0.002 0.000 0.192 251 N C 0.269 175.931 175.510 0.253 0.000 1.132 251 N CA 0.662 53.845 53.050 0.220 0.000 0.887 251 N CB 0.555 39.129 38.487 0.145 0.000 1.048 251 N HN 0.793 nan 8.380 nan 0.000 0.490 252 S N -1.731 114.131 115.700 0.270 0.000 2.790 252 S HA 0.145 4.616 4.470 0.002 0.000 0.292 252 S C 0.864 175.522 174.600 0.098 0.000 1.197 252 S CA -0.385 57.939 58.200 0.207 0.000 0.851 252 S CB 0.689 63.959 63.200 0.117 0.000 1.217 252 S HN 0.051 nan 8.310 nan 0.000 0.526 253 T N -0.606 113.958 114.554 0.017 0.000 3.035 253 T HA 0.152 4.503 4.350 0.002 0.000 0.268 253 T C 0.855 175.550 174.700 -0.009 0.000 1.109 253 T CA 0.839 62.915 62.100 -0.041 0.000 1.119 253 T CB -0.855 67.979 68.868 -0.057 0.000 0.900 253 T HN 1.179 nan 8.240 nan 0.000 0.503 254 S N 0.555 116.268 115.700 0.020 0.000 2.448 254 S HA 0.649 5.120 4.470 0.002 0.000 0.320 254 S C 0.416 175.039 174.600 0.039 0.000 1.071 254 S CA -0.302 57.911 58.200 0.022 0.000 1.113 254 S CB 0.573 63.785 63.200 0.021 0.000 0.972 254 S HN 1.350 nan 8.310 nan 0.000 0.465 255 G N 2.577 111.396 108.800 0.032 0.000 2.721 255 G HA2 0.064 4.025 3.960 0.002 0.000 0.686 255 G HA3 0.064 4.025 3.960 0.002 0.000 0.686 255 G C -0.935 173.999 174.900 0.056 0.000 1.236 255 G CA -0.506 44.619 45.100 0.042 0.000 0.786 255 G HN 1.759 nan 8.290 nan 0.000 0.616 256 N N -0.816 117.910 118.700 0.044 0.000 2.504 256 N HA 0.664 5.405 4.740 0.002 0.000 0.268 256 N C -0.262 175.250 175.510 0.003 0.000 1.184 256 N CA -1.113 51.959 53.050 0.036 0.000 0.875 256 N CB 1.310 39.803 38.487 0.009 0.000 1.630 256 N HN 0.776 nan 8.380 nan 0.000 0.486 257 R N 0.190 120.679 120.500 -0.019 0.000 2.543 257 R HA 0.642 4.984 4.340 0.002 0.000 0.268 257 R C -1.076 175.085 176.300 -0.232 0.000 1.067 257 R CA -0.876 55.154 56.100 -0.117 0.000 1.142 257 R CB 0.587 30.861 30.300 -0.043 0.000 1.110 257 R HN 0.597 nan 8.270 nan 0.000 0.549 258 L N 1.446 122.410 121.223 -0.432 0.000 2.493 258 L HA 0.412 4.753 4.340 0.002 0.000 0.265 258 L C -1.873 174.643 176.870 -0.590 0.000 0.954 258 L CA -0.481 54.143 54.840 -0.360 0.000 0.844 258 L CB 1.674 43.628 42.059 -0.175 0.000 1.302 258 L HN 0.484 nan 8.230 nan 0.000 0.405 259 Y N 3.237 123.465 120.300 -0.120 0.000 2.536 259 Y HA 0.794 5.345 4.550 0.002 0.000 0.347 259 Y C -0.567 175.277 175.900 -0.093 0.000 1.000 259 Y CA -0.892 57.158 58.100 -0.083 0.000 1.051 259 Y CB 2.334 40.734 38.460 -0.100 0.000 1.259 259 Y HN 0.417 nan 8.280 nan 0.000 0.468 260 V N 2.878 122.854 119.914 0.105 0.000 2.735 260 V HA 0.611 4.733 4.120 0.002 0.000 0.310 260 V C -1.437 174.722 176.094 0.108 0.000 1.061 260 V CA -0.848 61.482 62.300 0.049 0.000 0.913 260 V CB 1.843 33.635 31.823 -0.052 0.000 1.005 260 V HN 0.797 nan 8.190 nan 0.000 0.428 261 K N 4.178 124.658 120.400 0.134 0.000 2.426 261 K HA 0.393 4.715 4.320 0.002 0.000 0.254 261 K C -1.221 175.519 176.600 0.235 0.000 0.936 261 K CA -0.630 55.741 56.287 0.140 0.000 0.801 261 K CB 1.574 34.107 32.500 0.055 0.000 1.139 261 K HN 0.738 nan 8.250 nan 0.000 0.424 262 D N 5.589 126.123 120.400 0.224 0.000 2.374 262 D HA 0.079 4.720 4.640 0.002 0.000 0.240 262 D C 0.987 177.265 176.300 -0.037 0.000 1.229 262 D CA -0.106 53.960 54.000 0.111 0.000 0.895 262 D CB 0.741 41.622 40.800 0.136 0.000 1.046 262 D HN 0.603 nan 8.370 nan 0.000 0.498 263 L N 2.681 123.840 121.223 -0.107 0.000 2.465 263 L HA -0.100 4.241 4.340 0.002 0.000 0.224 263 L C 2.149 178.965 176.870 -0.091 0.000 1.145 263 L CA 0.490 55.287 54.840 -0.073 0.000 0.834 263 L CB -0.324 41.709 42.059 -0.045 0.000 0.944 263 L HN 0.337 nan 8.230 nan 0.000 0.451 264 S N -1.824 113.787 115.700 -0.148 0.000 2.603 264 S HA 0.036 4.507 4.470 0.002 0.000 0.220 264 S C 0.685 175.247 174.600 -0.063 0.000 0.967 264 S CA -0.166 57.968 58.200 -0.111 0.000 0.920 264 S CB -0.024 63.085 63.200 -0.151 0.000 0.773 264 S HN 0.444 nan 8.310 nan 0.000 0.529 265 Q N 1.120 120.892 119.800 -0.047 0.000 2.342 265 Q HA 0.377 4.718 4.340 0.002 0.000 0.267 265 Q C -0.919 175.074 176.000 -0.012 0.000 1.038 265 Q CA -0.554 55.237 55.803 -0.019 0.000 0.832 265 Q CB 1.824 30.561 28.738 -0.002 0.000 1.323 265 Q HN 0.467 nan 8.270 nan 0.000 0.448 266 E N 2.081 122.276 120.200 -0.008 0.000 2.299 266 E HA -0.042 4.310 4.350 0.002 0.000 0.272 266 E C -0.833 175.767 176.600 -0.001 0.000 1.043 266 E CA 0.216 56.612 56.400 -0.006 0.000 0.895 266 E CB 0.024 29.721 29.700 -0.004 0.000 1.011 266 E HN 0.634 nan 8.360 nan 0.000 0.432 267 N N 2.105 120.804 118.700 -0.002 0.000 2.725 267 N HA -0.259 4.482 4.740 0.002 0.000 0.251 267 N C -1.013 174.504 175.510 0.012 0.000 1.031 267 N CA 0.206 53.258 53.050 0.004 0.000 0.720 267 N CB -0.733 37.756 38.487 0.003 0.000 0.930 267 N HN 0.533 nan 8.380 nan 0.000 0.543 268 A N 0.687 123.517 122.820 0.017 0.000 2.425 268 A HA 0.425 4.746 4.320 0.002 0.000 0.249 268 A C -1.220 176.386 177.584 0.036 0.000 1.084 268 A CA -0.693 51.363 52.037 0.030 0.000 0.781 268 A CB 0.319 19.344 19.000 0.041 0.000 1.019 268 A HN 0.230 nan 8.150 nan 0.000 0.490 269 P HA 0.349 nan 4.420 nan 0.000 0.278 269 P C -0.700 176.638 177.300 0.063 0.000 1.266 269 P CA -0.486 62.640 63.100 0.043 0.000 0.807 269 P CB 0.696 32.420 31.700 0.041 0.000 1.094 270 L N 0.709 121.971 121.223 0.066 0.000 2.349 270 L HA 0.212 4.553 4.340 0.002 0.000 0.275 270 L C 0.222 177.180 176.870 0.147 0.000 1.115 270 L CA -0.711 54.191 54.840 0.102 0.000 0.820 270 L CB 0.313 42.415 42.059 0.072 0.000 1.135 270 L HN 0.221 nan 8.230 nan 0.000 0.445 271 L N 2.472 123.795 121.223 0.167 0.000 2.331 271 L HA 0.398 4.740 4.340 0.002 0.000 0.275 271 L C 0.249 177.244 176.870 0.209 0.000 1.022 271 L CA -0.113 54.821 54.840 0.156 0.000 0.812 271 L CB 1.870 43.988 42.059 0.098 0.000 1.257 271 L HN 0.440 nan 8.230 nan 0.000 0.435 272 T N 2.101 116.760 114.554 0.175 0.000 2.723 272 T HA 0.247 4.599 4.350 0.002 0.000 0.297 272 T C 1.406 176.100 174.700 -0.010 0.000 0.925 272 T CA -0.376 61.759 62.100 0.059 0.000 1.030 272 T CB 0.882 69.798 68.868 0.080 0.000 0.905 272 T HN 0.346 nan 8.240 nan 0.000 0.502 273 V N 2.684 122.553 119.914 -0.076 0.000 2.446 273 V HA 0.082 4.204 4.120 0.002 0.000 0.244 273 V C 0.974 177.148 176.094 0.134 0.000 1.039 273 V CA 1.086 63.427 62.300 0.070 0.000 1.045 273 V CB -0.147 31.685 31.823 0.015 0.000 0.681 273 V HN 0.812 nan 8.190 nan 0.000 0.459 274 Q N -0.932 118.837 119.800 -0.052 0.000 2.275 274 Q HA 0.451 4.792 4.340 0.002 0.000 0.258 274 Q C 0.282 176.179 176.000 -0.171 0.000 0.960 274 Q CA 0.172 55.949 55.803 -0.045 0.000 0.801 274 Q CB 1.907 30.693 28.738 0.079 0.000 1.302 274 Q HN 0.303 nan 8.270 nan 0.000 0.433 275 G N 2.725 111.461 108.800 -0.107 0.000 3.042 275 G HA2 0.069 4.030 3.960 0.002 0.000 0.212 275 G HA3 0.069 4.030 3.960 0.002 0.000 0.212 275 G C -0.139 174.771 174.900 0.017 0.000 1.166 275 G CA 0.489 45.561 45.100 -0.048 0.000 0.767 275 G HN 0.717 nan 8.290 nan 0.000 0.546 276 D N -1.277 119.122 120.400 -0.002 0.000 2.497 276 D HA 0.439 5.081 4.640 0.002 0.000 0.243 276 D C 0.451 176.778 176.300 0.044 0.000 1.039 276 D CA -0.931 53.088 54.000 0.030 0.000 1.052 276 D CB 0.989 41.791 40.800 0.003 0.000 1.344 276 D HN -0.092 nan 8.370 nan 0.000 0.553 277 L N 0.134 121.393 121.223 0.060 0.000 2.928 277 L HA 0.271 4.612 4.340 0.002 0.000 0.246 277 L C 0.256 177.153 176.870 0.046 0.000 1.239 277 L CA -0.183 54.698 54.840 0.069 0.000 1.035 277 L CB -0.009 42.109 42.059 0.099 0.000 1.360 277 L HN 0.339 nan 8.230 nan 0.000 0.529 278 D N 1.231 121.647 120.400 0.027 0.000 2.349 278 D HA 0.198 4.839 4.640 0.002 0.000 0.224 278 D C 0.816 177.129 176.300 0.021 0.000 1.029 278 D CA 0.441 54.452 54.000 0.017 0.000 0.879 278 D CB 0.761 41.561 40.800 -0.000 0.000 0.906 278 D HN 0.354 nan 8.370 nan 0.000 0.528 279 A N 0.135 122.975 122.820 0.033 0.000 2.610 279 A HA 0.376 4.698 4.320 0.002 0.000 0.291 279 A C -1.556 176.056 177.584 0.046 0.000 1.086 279 A CA -0.840 51.222 52.037 0.043 0.000 0.677 279 A CB 1.415 20.453 19.000 0.064 0.000 1.278 279 A HN -0.202 nan 8.150 nan 0.000 0.414 280 D N 0.578 120.998 120.400 0.033 0.000 2.210 280 D HA 0.468 5.109 4.640 0.002 0.000 0.249 280 D C -0.947 175.359 176.300 0.009 0.000 1.078 280 D CA 0.158 54.165 54.000 0.012 0.000 0.875 280 D CB 2.069 42.864 40.800 -0.007 0.000 1.175 280 D HN 0.561 nan 8.370 nan 0.000 0.440 281 V N 1.109 121.013 119.914 -0.016 0.000 2.817 281 V HA 0.539 4.660 4.120 0.002 0.000 0.303 281 V C -1.281 174.752 176.094 -0.102 0.000 1.151 281 V CA -0.312 61.945 62.300 -0.072 0.000 0.929 281 V CB 1.974 33.775 31.823 -0.035 0.000 1.030 281 V HN 0.747 nan 8.190 nan 0.000 0.427 282 S N 5.866 121.484 115.700 -0.137 0.000 2.588 282 S HA 0.752 5.223 4.470 0.002 0.000 0.275 282 S C -1.080 173.441 174.600 -0.133 0.000 1.130 282 S CA -0.785 57.346 58.200 -0.115 0.000 0.855 282 S CB 1.729 64.879 63.200 -0.082 0.000 1.116 282 S HN 1.492 nan 8.310 nan 0.000 0.472 283 L N 2.569 123.733 121.223 -0.098 0.000 2.380 283 L HA 0.518 4.859 4.340 0.002 0.000 0.273 283 L C 0.379 177.224 176.870 -0.041 0.000 1.138 283 L CA 0.335 55.130 54.840 -0.076 0.000 0.832 283 L CB 0.857 42.891 42.059 -0.043 0.000 1.124 283 L HN 0.690 nan 8.230 nan 0.000 0.454 284 V N 2.774 122.673 119.914 -0.025 0.000 2.627 284 V HA 0.312 4.433 4.120 0.002 0.000 0.239 284 V C 0.245 176.372 176.094 0.055 0.000 1.077 284 V CA 1.028 63.325 62.300 -0.005 0.000 1.103 284 V CB 0.003 31.802 31.823 -0.039 0.000 0.802 284 V HN 0.981 nan 8.190 nan 0.000 0.482 285 D N -1.705 118.756 120.400 0.101 0.000 2.827 285 D HA 0.208 4.850 4.640 0.002 0.000 0.336 285 D C -1.899 174.563 176.300 0.269 0.000 1.374 285 D CA -0.454 53.656 54.000 0.183 0.000 0.794 285 D CB 0.872 41.808 40.800 0.228 0.000 1.364 285 D HN 0.285 nan 8.370 nan 0.000 0.464 286 N N 0.429 119.325 118.700 0.326 0.000 2.455 286 N HA 0.511 5.253 4.740 0.002 0.000 0.278 286 N C -1.424 174.292 175.510 0.343 0.000 1.291 286 N CA -0.696 52.590 53.050 0.393 0.000 0.780 286 N CB 2.602 41.325 38.487 0.393 0.000 1.520 286 N HN 0.357 nan 8.380 nan 0.000 0.486 287 K N 0.419 121.050 120.400 0.385 0.000 2.652 287 K HA 0.436 4.757 4.320 0.002 0.000 0.249 287 K C 0.241 176.974 176.600 0.221 0.000 0.986 287 K CA 0.169 56.576 56.287 0.200 0.000 0.867 287 K CB 0.630 33.251 32.500 0.201 0.000 1.201 287 K HN 0.933 nan 8.250 nan 0.000 0.450 288 G N 2.080 110.974 108.800 0.156 0.000 2.550 288 G HA2 -0.365 3.596 3.960 0.002 0.000 0.277 288 G HA3 -0.365 3.596 3.960 0.002 0.000 0.277 288 G C 0.427 175.496 174.900 0.281 0.000 1.190 288 G CA 0.416 45.609 45.100 0.155 0.000 0.971 288 G HN 0.949 nan 8.290 nan 0.000 0.559 289 S N -0.765 115.082 115.700 0.245 0.000 2.605 289 S HA 0.399 4.870 4.470 0.002 0.000 0.217 289 S C 0.786 175.466 174.600 0.134 0.000 0.958 289 S CA 1.181 59.581 58.200 0.333 0.000 0.919 289 S CB 0.211 63.554 63.200 0.238 0.000 0.780 289 S HN 0.939 nan 8.310 nan 0.000 0.507 290 T N 3.540 118.166 114.554 0.120 0.000 2.780 290 T HA 0.455 4.806 4.350 0.002 0.000 0.294 290 T C -0.163 174.524 174.700 -0.022 0.000 0.949 290 T CA -0.359 61.737 62.100 -0.007 0.000 1.074 290 T CB 0.621 69.488 68.868 -0.002 0.000 0.910 290 T HN 0.285 nan 8.240 nan 0.000 0.501 291 L N 3.619 124.719 121.223 -0.205 0.000 2.325 291 L HA 0.484 4.825 4.340 0.002 0.000 0.279 291 L C -0.753 175.947 176.870 -0.284 0.000 1.054 291 L CA -0.966 53.764 54.840 -0.183 0.000 0.804 291 L CB 0.781 42.662 42.059 -0.297 0.000 1.200 291 L HN 0.652 nan 8.230 nan 0.000 0.436 292 Y N 3.553 123.756 120.300 -0.163 0.000 2.328 292 Y HA 0.579 5.131 4.550 0.002 0.000 0.333 292 Y C -0.273 175.480 175.900 -0.245 0.000 0.958 292 Y CA -0.603 57.378 58.100 -0.199 0.000 1.167 292 Y CB 1.467 39.823 38.460 -0.173 0.000 1.151 292 Y HN 0.308 nan 8.280 nan 0.000 0.470 293 L N 4.767 125.841 121.223 -0.249 0.000 2.381 293 L HA 0.544 4.885 4.340 0.002 0.000 0.268 293 L C -1.172 175.514 176.870 -0.306 0.000 0.997 293 L CA -1.130 53.512 54.840 -0.329 0.000 0.818 293 L CB 2.112 43.815 42.059 -0.592 0.000 1.310 293 L HN 0.443 nan 8.230 nan 0.000 0.416 294 L N 1.879 122.959 121.223 -0.239 0.000 2.295 294 L HA 0.792 5.133 4.340 0.002 0.000 0.285 294 L C -0.205 176.550 176.870 -0.190 0.000 1.035 294 L CA 0.588 55.311 54.840 -0.195 0.000 0.806 294 L CB 1.732 43.697 42.059 -0.156 0.000 1.214 294 L HN 0.699 nan 8.230 nan 0.000 0.426 295 T N 2.164 116.629 114.554 -0.148 0.000 2.853 295 T HA 0.393 4.744 4.350 0.002 0.000 0.311 295 T C -0.248 174.443 174.700 -0.014 0.000 1.307 295 T CA -0.337 61.715 62.100 -0.080 0.000 1.019 295 T CB 1.089 69.908 68.868 -0.081 0.000 1.264 295 T HN 0.767 nan 8.240 nan 0.000 0.497 296 N N 1.523 120.236 118.700 0.021 0.000 2.234 296 N HA 0.121 4.862 4.740 0.002 0.000 0.227 296 N C 0.263 175.807 175.510 0.056 0.000 1.151 296 N CA -0.490 52.576 53.050 0.028 0.000 0.865 296 N CB 0.003 38.496 38.487 0.011 0.000 1.066 296 N HN 0.493 nan 8.380 nan 0.000 0.515 297 R N 1.529 122.096 120.500 0.112 0.000 2.446 297 R HA -0.020 4.321 4.340 0.002 0.000 0.314 297 R C -0.515 175.830 176.300 0.075 0.000 1.003 297 R CA 0.367 56.535 56.100 0.114 0.000 1.018 297 R CB -0.117 30.316 30.300 0.221 0.000 0.945 297 R HN 0.150 nan 8.270 nan 0.000 0.419 298 D N 1.494 121.912 120.400 0.031 0.000 2.983 298 D HA -0.231 4.411 4.640 0.002 0.000 0.225 298 D C -1.010 175.305 176.300 0.025 0.000 1.174 298 D CA 1.584 55.593 54.000 0.016 0.000 0.831 298 D CB -0.806 39.995 40.800 0.002 0.000 1.104 298 D HN 0.626 nan 8.370 nan 0.000 0.421 299 A N -0.932 121.907 122.820 0.031 0.000 2.839 299 A HA 0.510 4.831 4.320 0.002 0.000 0.303 299 A C -2.075 175.524 177.584 0.025 0.000 1.181 299 A CA -0.882 51.172 52.037 0.028 0.000 0.808 299 A CB 1.235 20.254 19.000 0.032 0.000 1.391 299 A HN -0.195 nan 8.150 nan 0.000 0.433 300 P HA -0.151 nan 4.420 nan 0.000 0.217 300 P C 0.870 178.182 177.300 0.020 0.000 1.148 300 P CA 1.567 64.680 63.100 0.021 0.000 0.828 300 P CB 0.051 31.766 31.700 0.025 0.000 0.783 301 N N -1.488 117.228 118.700 0.027 0.000 2.398 301 N HA 0.111 4.852 4.740 0.002 0.000 0.188 301 N C -0.492 175.034 175.510 0.027 0.000 1.122 301 N CA -0.201 52.869 53.050 0.032 0.000 0.866 301 N CB -0.061 38.454 38.487 0.047 0.000 0.970 301 N HN -0.041 nan 8.380 nan 0.000 0.462 302 R N 0.163 120.670 120.500 0.013 0.000 1.344 302 R HA -0.144 4.197 4.340 0.002 0.000 0.438 302 R C -0.943 175.353 176.300 -0.007 0.000 1.330 302 R CA 0.418 56.513 56.100 -0.008 0.000 1.237 302 R CB -0.398 29.879 30.300 -0.037 0.000 3.375 302 R HN 0.392 nan 8.270 nan 0.000 0.516 303 R N 0.314 120.794 120.500 -0.033 0.000 2.739 303 R HA 0.704 5.045 4.340 0.002 0.000 0.271 303 R C -1.620 174.618 176.300 -0.103 0.000 1.010 303 R CA -1.200 54.871 56.100 -0.047 0.000 0.897 303 R CB 1.260 31.549 30.300 -0.019 0.000 1.236 303 R HN 0.328 nan 8.270 nan 0.000 0.466 304 L N 2.422 123.564 121.223 -0.135 0.000 2.287 304 L HA 0.572 4.913 4.340 0.002 0.000 0.287 304 L C -0.665 176.095 176.870 -0.184 0.000 1.022 304 L CA -0.470 54.263 54.840 -0.178 0.000 0.814 304 L CB 1.763 43.701 42.059 -0.202 0.000 1.217 304 L HN 0.647 nan 8.230 nan 0.000 0.420 305 V N 1.381 121.150 119.914 -0.240 0.000 3.046 305 V HA 0.956 5.077 4.120 0.002 0.000 0.316 305 V C -0.231 175.647 176.094 -0.359 0.000 1.104 305 V CA -0.037 62.111 62.300 -0.252 0.000 1.006 305 V CB 1.776 33.456 31.823 -0.238 0.000 1.058 305 V HN 0.895 nan 8.190 nan 0.000 0.440 306 T N -0.578 113.772 114.554 -0.340 0.000 2.907 306 T HA 0.856 5.207 4.350 0.002 0.000 0.292 306 T C -0.850 173.684 174.700 -0.276 0.000 1.043 306 T CA -0.678 61.140 62.100 -0.470 0.000 1.003 306 T CB 1.677 70.188 68.868 -0.595 0.000 1.084 306 T HN 1.756 nan 8.240 nan 0.000 0.483 307 V N 0.530 120.286 119.914 -0.263 0.000 3.167 307 V HA 0.478 4.599 4.120 0.002 0.000 0.293 307 V C -1.726 174.300 176.094 -0.114 0.000 1.379 307 V CA -0.885 61.364 62.300 -0.084 0.000 1.019 307 V CB 2.336 34.214 31.823 0.092 0.000 1.115 307 V HN 1.220 nan 8.190 nan 0.000 0.442 308 D N 3.416 123.782 120.400 -0.056 0.000 2.350 308 D HA 0.555 5.196 4.640 0.002 0.000 0.249 308 D C 1.109 177.366 176.300 -0.073 0.000 1.119 308 D CA 0.675 54.638 54.000 -0.061 0.000 0.886 308 D CB 2.046 42.827 40.800 -0.033 0.000 1.195 308 D HN 0.824 nan 8.370 nan 0.000 0.437 309 A N 3.573 126.323 122.820 -0.116 0.000 2.076 309 A HA -0.091 4.230 4.320 0.002 0.000 0.220 309 A C 2.013 179.581 177.584 -0.026 0.000 1.160 309 A CA 1.696 53.632 52.037 -0.168 0.000 0.653 309 A CB -0.643 18.118 19.000 -0.398 0.000 0.801 309 A HN 0.652 nan 8.150 nan 0.000 0.455 310 A N -1.255 121.572 122.820 0.013 0.000 2.167 310 A HA 0.084 4.405 4.320 0.002 0.000 0.214 310 A C 0.971 178.547 177.584 -0.013 0.000 1.151 310 A CA 1.248 53.298 52.037 0.023 0.000 0.735 310 A CB -0.209 18.806 19.000 0.026 0.000 0.802 310 A HN 0.467 nan 8.150 nan 0.000 0.467 311 N N -1.245 117.430 118.700 -0.041 0.000 2.732 311 N HA 0.142 4.883 4.740 0.002 0.000 0.230 311 N C -2.665 172.832 175.510 -0.022 0.000 1.487 311 N CA -0.890 52.107 53.050 -0.088 0.000 0.765 311 N CB 1.057 39.402 38.487 -0.237 0.000 1.384 311 N HN 0.001 nan 8.380 nan 0.000 0.530 312 P HA 0.182 nan 4.420 nan 0.000 0.253 312 P C 0.759 178.248 177.300 0.314 0.000 1.260 312 P CA 0.068 63.267 63.100 0.166 0.000 0.800 312 P CB -0.114 31.628 31.700 0.070 0.000 1.162 313 G N 2.236 111.180 108.800 0.240 0.000 2.554 313 G HA2 0.066 4.027 3.960 0.002 0.000 0.238 313 G HA3 0.066 4.027 3.960 0.002 0.000 0.238 313 G C -1.561 173.135 174.900 -0.339 0.000 1.259 313 G CA -0.828 44.302 45.100 0.050 0.000 0.843 313 G HN 0.019 nan 8.290 nan 0.000 0.582 314 P HA -0.153 nan 4.420 nan 0.000 0.217 314 P C 1.969 178.651 177.300 -1.030 0.000 1.148 314 P CA 1.882 63.880 63.100 -1.837 0.000 0.828 314 P CB 0.204 31.058 31.700 -1.410 0.000 0.783 315 A N -1.129 121.265 122.820 -0.710 0.000 2.070 315 A HA -0.193 4.128 4.320 0.002 0.000 0.220 315 A C 1.413 178.624 177.584 -0.620 0.000 1.159 315 A CA 1.471 53.133 52.037 -0.625 0.000 0.656 315 A CB -1.478 17.127 19.000 -0.658 0.000 0.800 315 A HN 0.343 nan 8.150 nan 0.000 0.453 316 H N -3.281 115.702 119.070 -0.145 0.000 2.586 316 H HA 0.091 4.648 4.556 0.002 0.000 0.273 316 H C -0.368 175.040 175.328 0.133 0.000 0.997 316 H CA -0.513 55.533 56.048 -0.003 0.000 1.177 316 H CB 0.108 29.881 29.762 0.019 0.000 1.471 316 H HN 0.529 nan 8.280 nan 0.000 0.538 317 W N 2.546 123.827 121.300 -0.032 0.000 2.264 317 W HA 0.173 4.834 4.660 0.002 0.000 0.331 317 W C 0.768 177.248 176.519 -0.066 0.000 1.364 317 W CA -0.520 56.788 57.345 -0.061 0.000 1.253 317 W CB -0.114 29.298 29.460 -0.080 0.000 1.215 317 W HN 0.094 nan 8.180 nan 0.000 0.561 318 R N 2.909 123.486 120.500 0.128 0.000 2.437 318 R HA 0.194 4.535 4.340 0.002 0.000 0.310 318 R C -0.752 175.538 176.300 -0.016 0.000 0.955 318 R CA -0.737 55.386 56.100 0.038 0.000 0.851 318 R CB 0.737 31.038 30.300 0.002 0.000 1.161 318 R HN 0.250 nan 8.270 nan 0.000 0.446 319 D N 4.078 124.473 120.400 -0.008 0.000 2.450 319 D HA -0.025 4.616 4.640 0.002 0.000 0.247 319 D C 0.635 176.889 176.300 -0.077 0.000 1.162 319 D CA 0.177 54.152 54.000 -0.042 0.000 0.879 319 D CB 1.371 42.157 40.800 -0.023 0.000 1.163 319 D HN 0.385 nan 8.370 nan 0.000 0.472 320 L N 3.476 124.625 121.223 -0.124 0.000 2.349 320 L HA 0.308 4.649 4.340 0.002 0.000 0.200 320 L C 0.384 177.125 176.870 -0.216 0.000 1.064 320 L CA 0.871 55.622 54.840 -0.150 0.000 0.821 320 L CB 0.391 42.351 42.059 -0.165 0.000 1.027 320 L HN 0.358 nan 8.230 nan 0.000 0.476 321 I N 1.306 121.735 120.570 -0.236 0.000 2.466 321 I HA 0.311 4.482 4.170 0.002 0.000 0.279 321 I C -2.296 173.754 176.117 -0.111 0.000 1.033 321 I CA -1.872 59.276 61.300 -0.253 0.000 1.123 321 I CB 1.334 39.113 38.000 -0.369 0.000 1.237 321 I HN 0.005 nan 8.210 nan 0.000 0.460 322 P HA 0.014 nan 4.420 nan 0.000 0.270 322 P C -0.133 177.169 177.300 0.003 0.000 1.223 322 P CA -0.249 62.838 63.100 -0.023 0.000 0.785 322 P CB 0.613 32.306 31.700 -0.013 0.000 0.923 323 E N 2.174 122.381 120.200 0.011 0.000 2.437 323 E HA -0.016 4.335 4.350 0.002 0.000 0.263 323 E C -0.126 176.486 176.600 0.019 0.000 1.030 323 E CA 0.120 56.537 56.400 0.028 0.000 0.934 323 E CB 0.386 30.099 29.700 0.022 0.000 0.943 323 E HN 0.267 nan 8.360 nan 0.000 0.444 324 R N 2.440 122.957 120.500 0.027 0.000 3.018 324 R HA 0.109 4.451 4.340 0.002 0.000 0.243 324 R C 0.879 177.171 176.300 -0.013 0.000 1.315 324 R CA -0.712 55.368 56.100 -0.032 0.000 1.039 324 R CB 0.087 30.295 30.300 -0.153 0.000 1.315 324 R HN 0.636 nan 8.270 nan 0.000 0.492 325 Q N 0.560 120.337 119.800 -0.037 0.000 2.167 325 Q HA -0.120 4.221 4.340 0.002 0.000 0.202 325 Q C -0.376 175.623 176.000 -0.001 0.000 0.970 325 Q CA 1.536 57.336 55.803 -0.005 0.000 0.855 325 Q CB 0.342 29.081 28.738 0.002 0.000 0.911 325 Q HN 0.352 nan 8.270 nan 0.000 0.438 326 Q N -0.031 119.754 119.800 -0.025 0.000 2.230 326 Q HA 0.310 4.652 4.340 0.002 0.000 0.248 326 Q C -1.005 175.089 176.000 0.158 0.000 0.915 326 Q CA -0.314 55.510 55.803 0.035 0.000 0.900 326 Q CB 1.977 30.727 28.738 0.021 0.000 1.229 326 Q HN -0.022 nan 8.270 nan 0.000 0.439 327 V N 2.873 122.855 119.914 0.113 0.000 2.529 327 V HA 0.014 4.135 4.120 0.002 0.000 0.292 327 V C -0.184 175.957 176.094 0.078 0.000 1.028 327 V CA -0.240 62.108 62.300 0.081 0.000 1.074 327 V CB 0.222 32.057 31.823 0.019 0.000 0.958 327 V HN 0.579 nan 8.190 nan 0.000 0.481 328 L N 6.050 127.279 121.223 0.009 0.000 2.326 328 L HA 0.568 4.909 4.340 0.002 0.000 0.278 328 L C 0.221 176.941 176.870 -0.251 0.000 1.092 328 L CA 0.927 55.630 54.840 -0.227 0.000 0.810 328 L CB 1.515 43.488 42.059 -0.143 0.000 1.153 328 L HN 0.718 nan 8.230 nan 0.000 0.439 329 T N 4.467 118.808 114.554 -0.356 0.000 2.848 329 T HA 0.611 4.962 4.350 0.002 0.000 0.285 329 T C -0.920 173.530 174.700 -0.417 0.000 0.995 329 T CA -0.392 61.517 62.100 -0.319 0.000 0.970 329 T CB 1.553 70.276 68.868 -0.242 0.000 0.976 329 T HN 0.377 nan 8.240 nan 0.000 0.441 330 V N 4.810 124.472 119.914 -0.421 0.000 2.513 330 V HA 0.515 4.636 4.120 0.002 0.000 0.299 330 V C -0.490 175.339 176.094 -0.442 0.000 1.035 330 V CA -0.866 61.221 62.300 -0.355 0.000 0.889 330 V CB 1.541 33.230 31.823 -0.223 0.000 0.988 330 V HN 0.847 nan 8.190 nan 0.000 0.440 331 H N 1.967 121.079 119.070 0.069 0.000 2.679 331 H HA 0.712 5.270 4.556 0.002 0.000 0.367 331 H C -0.405 175.085 175.328 0.271 0.000 1.162 331 H CA -0.554 55.591 56.048 0.163 0.000 1.181 331 H CB 2.367 32.251 29.762 0.204 0.000 1.693 331 H HN 0.702 nan 8.280 nan 0.000 0.538 332 S N 0.768 116.705 115.700 0.394 0.000 2.536 332 S HA 0.828 5.299 4.470 0.002 0.000 0.287 332 S C -0.143 174.737 174.600 0.467 0.000 1.101 332 S CA -0.594 57.846 58.200 0.401 0.000 0.950 332 S CB 2.585 65.934 63.200 0.250 0.000 1.056 332 S HN 1.016 nan 8.310 nan 0.000 0.481 333 G N 0.091 109.241 108.800 0.584 0.000 2.596 333 G HA2 0.494 4.455 3.960 0.002 0.000 0.296 333 G HA3 0.494 4.455 3.960 0.002 0.000 0.296 333 G C -0.189 175.054 174.900 0.571 0.000 1.513 333 G CA -0.179 45.224 45.100 0.505 0.000 0.851 333 G HN 1.618 nan 8.290 nan 0.000 0.548 334 S N -0.974 114.972 115.700 0.411 0.000 3.521 334 S HA -0.054 4.417 4.470 0.002 0.000 0.328 334 S C 1.962 176.718 174.600 0.261 0.000 1.165 334 S CA 2.255 60.673 58.200 0.364 0.000 0.941 334 S CB -1.303 62.173 63.200 0.459 0.000 0.951 334 S HN 2.916 nan 8.310 nan 0.000 0.539 335 G N -1.428 107.466 108.800 0.156 0.000 2.136 335 G HA2 -0.302 3.660 3.960 0.002 0.000 0.242 335 G HA3 -0.302 3.660 3.960 0.002 0.000 0.242 335 G C -0.262 174.504 174.900 -0.224 0.000 0.989 335 G CA 0.462 45.438 45.100 -0.207 0.000 0.682 335 G HN 0.732 nan 8.290 nan 0.000 0.522 336 Y N -1.332 119.181 120.300 0.356 0.000 2.605 336 Y HA 0.760 5.311 4.550 0.002 0.000 0.343 336 Y C 0.456 176.336 175.900 -0.033 0.000 1.036 336 Y CA -1.206 56.974 58.100 0.132 0.000 1.065 336 Y CB 1.560 39.936 38.460 -0.140 0.000 1.288 336 Y HN 0.093 nan 8.280 nan 0.000 0.481 337 L N 1.983 123.111 121.223 -0.159 0.000 2.346 337 L HA 0.566 4.907 4.340 0.002 0.000 0.276 337 L C -1.521 175.116 176.870 -0.387 0.000 1.006 337 L CA -0.594 54.117 54.840 -0.215 0.000 0.817 337 L CB 1.401 43.276 42.059 -0.306 0.000 1.272 337 L HN 0.451 nan 8.230 nan 0.000 0.421 338 F N 1.463 121.467 119.950 0.090 0.000 2.477 338 F HA 0.599 5.127 4.527 0.002 0.000 0.335 338 F C 0.340 176.115 175.800 -0.041 0.000 1.130 338 F CA -0.666 57.335 58.000 0.002 0.000 0.948 338 F CB 1.841 40.755 39.000 -0.144 0.000 1.154 338 F HN 0.407 nan 8.300 nan 0.000 0.439 339 A N 3.212 126.091 122.820 0.098 0.000 2.260 339 A HA 0.477 4.798 4.320 0.002 0.000 0.308 339 A C -0.364 177.074 177.584 -0.243 0.000 1.254 339 A CA -0.459 51.508 52.037 -0.117 0.000 0.874 339 A CB 0.485 19.491 19.000 0.011 0.000 1.153 339 A HN 0.764 nan 8.150 nan 0.000 0.527 340 E N 2.563 122.540 120.200 -0.371 0.000 2.166 340 E HA 0.586 4.938 4.350 0.002 0.000 0.275 340 E C -1.715 174.608 176.600 -0.463 0.000 0.941 340 E CA -0.283 55.952 56.400 -0.274 0.000 0.784 340 E CB 0.869 30.549 29.700 -0.035 0.000 1.115 340 E HN 0.635 nan 8.360 nan 0.000 0.399 341 Y N 1.799 122.082 120.300 -0.028 0.000 2.609 341 Y HA 0.420 4.971 4.550 0.002 0.000 0.342 341 Y C -0.071 175.802 175.900 -0.045 0.000 1.058 341 Y CA -1.235 56.843 58.100 -0.037 0.000 1.055 341 Y CB 1.715 40.153 38.460 -0.037 0.000 1.292 341 Y HN 0.382 nan 8.280 nan 0.000 0.476 342 M N 2.669 122.341 119.600 0.119 0.000 2.072 342 M HA 0.412 4.893 4.480 0.002 0.000 0.331 342 M C -1.331 174.955 176.300 -0.023 0.000 1.004 342 M CA -0.722 54.591 55.300 0.023 0.000 0.952 342 M CB 1.025 33.612 32.600 -0.022 0.000 1.511 342 M HN 0.343 nan 8.290 nan 0.000 0.422 343 V N 4.185 124.083 119.914 -0.027 0.000 2.384 343 V HA 0.319 4.440 4.120 0.002 0.000 0.287 343 V C 0.032 176.085 176.094 -0.069 0.000 1.020 343 V CA -0.492 61.764 62.300 -0.075 0.000 0.850 343 V CB 1.460 33.263 31.823 -0.034 0.000 0.987 343 V HN 0.896 nan 8.190 nan 0.000 0.436 344 D N 4.518 124.812 120.400 -0.177 0.000 2.772 344 D HA -0.264 4.377 4.640 0.002 0.000 0.233 344 D C 1.089 177.345 176.300 -0.073 0.000 1.143 344 D CA 1.213 55.170 54.000 -0.073 0.000 0.700 344 D CB -0.944 39.990 40.800 0.224 0.000 1.076 344 D HN 1.464 nan 8.370 nan 0.000 0.430 345 A N -1.991 120.738 122.820 -0.151 0.000 2.979 345 A HA -0.239 4.082 4.320 0.002 0.000 0.260 345 A C 0.854 178.419 177.584 -0.031 0.000 1.282 345 A CA 2.323 54.312 52.037 -0.080 0.000 0.971 345 A CB -2.211 16.770 19.000 -0.033 0.000 1.124 345 A HN 1.141 nan 8.150 nan 0.000 0.826 346 T N -3.213 111.333 114.554 -0.013 0.000 2.906 346 T HA 0.860 5.211 4.350 0.002 0.000 0.295 346 T C -0.024 174.690 174.700 0.023 0.000 1.061 346 T CA 0.107 62.212 62.100 0.008 0.000 1.000 346 T CB 1.709 70.605 68.868 0.046 0.000 1.103 346 T HN 2.019 nan 8.240 nan 0.000 0.486 347 A N 2.533 125.372 122.820 0.032 0.000 2.498 347 A HA 0.623 4.945 4.320 0.002 0.000 0.239 347 A C 0.213 177.825 177.584 0.047 0.000 1.068 347 A CA -0.380 51.682 52.037 0.042 0.000 0.766 347 A CB -0.040 18.988 19.000 0.048 0.000 1.003 347 A HN 0.720 nan 8.150 nan 0.000 0.497 348 R N 1.172 121.696 120.500 0.040 0.000 2.574 348 R HA 0.581 4.922 4.340 0.002 0.000 0.288 348 R C -1.815 174.481 176.300 -0.008 0.000 1.004 348 R CA -0.619 55.499 56.100 0.031 0.000 0.895 348 R CB 1.759 32.108 30.300 0.082 0.000 1.191 348 R HN 0.444 nan 8.270 nan 0.000 0.444 349 V N 2.566 122.411 119.914 -0.116 0.000 2.577 349 V HA 0.398 4.519 4.120 0.002 0.000 0.303 349 V C -0.331 175.662 176.094 -0.167 0.000 1.042 349 V CA -0.796 61.360 62.300 -0.240 0.000 0.872 349 V CB 2.413 33.841 31.823 -0.659 0.000 0.998 349 V HN 0.626 nan 8.190 nan 0.000 0.423 350 E N 2.996 123.161 120.200 -0.060 0.000 2.199 350 E HA 0.473 4.825 4.350 0.002 0.000 0.269 350 E C -0.924 175.592 176.600 -0.140 0.000 0.899 350 E CA -0.622 55.721 56.400 -0.096 0.000 0.772 350 E CB 2.670 32.377 29.700 0.011 0.000 1.155 350 E HN 0.667 nan 8.360 nan 0.000 0.408 351 Q N 3.424 123.042 119.800 -0.303 0.000 2.290 351 Q HA 0.391 4.732 4.340 0.002 0.000 0.259 351 Q C -1.549 174.167 176.000 -0.473 0.000 0.941 351 Q CA -0.389 55.171 55.803 -0.406 0.000 0.912 351 Q CB 0.649 29.227 28.738 -0.266 0.000 1.244 351 Q HN 0.404 nan 8.270 nan 0.000 0.441 352 F N 1.856 121.658 119.950 -0.247 0.000 2.561 352 F HA 0.311 4.839 4.527 0.002 0.000 0.321 352 F C 0.060 175.884 175.800 0.041 0.000 1.065 352 F CA -0.753 57.199 58.000 -0.079 0.000 0.934 352 F CB 1.529 40.470 39.000 -0.098 0.000 1.215 352 F HN 0.649 nan 8.300 nan 0.000 0.471 353 D N -0.499 120.084 120.400 0.304 0.000 2.432 353 D HA 0.116 4.758 4.640 0.002 0.000 0.258 353 D C 0.204 176.627 176.300 0.205 0.000 1.146 353 D CA -0.394 53.758 54.000 0.254 0.000 1.015 353 D CB 0.295 41.206 40.800 0.184 0.000 1.107 353 D HN 0.431 nan 8.370 nan 0.000 0.529 354 Y N -0.914 119.361 120.300 -0.042 0.000 2.639 354 Y HA 0.037 4.589 4.550 0.002 0.000 0.297 354 Y C 1.281 177.276 175.900 0.157 0.000 1.151 354 Y CA 0.719 58.807 58.100 -0.019 0.000 1.335 354 Y CB -0.128 38.229 38.460 -0.171 0.000 0.994 354 Y HN 0.402 nan 8.280 nan 0.000 0.548 355 E N -1.243 119.095 120.200 0.230 0.000 2.474 355 E HA 0.221 4.573 4.350 0.002 0.000 0.195 355 E C 1.797 178.481 176.600 0.141 0.000 1.039 355 E CA 0.592 57.095 56.400 0.171 0.000 0.881 355 E CB 0.127 29.901 29.700 0.123 0.000 0.970 355 E HN 0.300 nan 8.360 nan 0.000 0.486 356 G N 1.168 110.065 108.800 0.162 0.000 2.175 356 G HA2 -0.343 3.619 3.960 0.002 0.000 0.244 356 G HA3 -0.343 3.619 3.960 0.002 0.000 0.244 356 G C 0.309 175.374 174.900 0.274 0.000 0.982 356 G CA 0.218 45.412 45.100 0.156 0.000 0.641 356 G HN 0.247 nan 8.290 nan 0.000 0.527 357 K N 0.638 121.179 120.400 0.236 0.000 2.276 357 K HA 0.454 4.776 4.320 0.002 0.000 0.283 357 K C 0.649 177.347 176.600 0.163 0.000 1.044 357 K CA -0.748 55.650 56.287 0.184 0.000 0.944 357 K CB 0.341 32.909 32.500 0.113 0.000 1.012 357 K HN 0.231 nan 8.250 nan 0.000 0.472 358 R N 4.125 124.626 120.500 0.001 0.000 2.248 358 R HA 0.064 4.406 4.340 0.002 0.000 0.337 358 R C 0.585 176.721 176.300 -0.274 0.000 1.085 358 R CA -0.320 55.506 56.100 -0.457 0.000 0.934 358 R CB 0.468 30.497 30.300 -0.451 0.000 1.034 358 R HN 0.583 nan 8.270 nan 0.000 0.465 359 V N 5.209 124.962 119.914 -0.269 0.000 2.323 359 V HA -0.096 4.025 4.120 0.002 0.000 0.244 359 V C 0.839 176.845 176.094 -0.147 0.000 1.041 359 V CA 1.741 63.958 62.300 -0.138 0.000 1.025 359 V CB -0.697 31.064 31.823 -0.104 0.000 0.656 359 V HN 0.877 nan 8.190 nan 0.000 0.451 360 R N 0.080 120.459 120.500 -0.202 0.000 2.774 360 R HA 0.456 4.797 4.340 0.002 0.000 0.279 360 R C -1.345 174.861 176.300 -0.157 0.000 1.022 360 R CA -0.822 55.198 56.100 -0.134 0.000 0.855 360 R CB 1.295 31.564 30.300 -0.052 0.000 1.279 360 R HN 0.067 nan 8.270 nan 0.000 0.485 361 E N 1.426 121.564 120.200 -0.103 0.000 2.146 361 E HA 0.309 4.660 4.350 0.002 0.000 0.282 361 E C -0.856 175.710 176.600 -0.057 0.000 0.989 361 E CA -0.732 55.612 56.400 -0.093 0.000 0.799 361 E CB 1.718 31.378 29.700 -0.066 0.000 1.088 361 E HN 0.461 nan 8.360 nan 0.000 0.397 362 V N 3.986 123.846 119.914 -0.090 0.000 2.585 362 V HA 0.245 4.366 4.120 0.002 0.000 0.296 362 V C 0.573 176.635 176.094 -0.054 0.000 1.035 362 V CA 0.269 62.530 62.300 -0.065 0.000 1.084 362 V CB 0.721 32.362 31.823 -0.303 0.000 0.953 362 V HN 0.864 nan 8.190 nan 0.000 0.483 363 A N 7.331 130.163 122.820 0.020 0.000 2.805 363 A HA 0.472 4.793 4.320 0.002 0.000 0.301 363 A C 0.108 177.668 177.584 -0.041 0.000 1.557 363 A CA -0.326 51.708 52.037 -0.005 0.000 1.254 363 A CB -0.656 18.356 19.000 0.021 0.000 1.114 363 A HN 0.808 nan 8.150 nan 0.000 0.553 364 L N 2.333 123.497 121.223 -0.099 0.000 2.467 364 L HA 0.127 4.468 4.340 0.002 0.000 0.270 364 L C -1.084 175.625 176.870 -0.268 0.000 1.205 364 L CA -1.443 53.295 54.840 -0.169 0.000 0.828 364 L CB 0.380 42.379 42.059 -0.100 0.000 1.101 364 L HN 0.421 nan 8.230 nan 0.000 0.479 365 P HA -0.068 nan 4.420 nan 0.000 0.224 365 P C 0.423 177.405 177.300 -0.530 0.000 1.142 365 P CA 0.809 63.498 63.100 -0.685 0.000 0.778 365 P CB 0.209 31.181 31.700 -1.214 0.000 0.764 366 G N -2.185 106.368 108.800 -0.412 0.000 2.367 366 G HA2 0.206 4.168 3.960 0.002 0.000 0.272 366 G HA3 0.206 4.168 3.960 0.002 0.000 0.272 366 G C -1.978 173.058 174.900 0.226 0.000 1.271 366 G CA -0.883 44.195 45.100 -0.036 0.000 0.893 366 G HN -0.017 nan 8.290 nan 0.000 0.485 367 L N 1.545 122.955 121.223 0.310 0.000 2.262 367 L HA 0.705 5.046 4.340 0.002 0.000 0.288 367 L C 0.896 177.917 176.870 0.252 0.000 1.035 367 L CA 0.273 55.271 54.840 0.263 0.000 0.820 367 L CB 0.687 42.842 42.059 0.159 0.000 1.204 367 L HN 1.163 nan 8.230 nan 0.000 0.424 368 G N 1.651 110.527 108.800 0.126 0.000 2.604 368 G HA2 0.418 4.379 3.960 0.002 0.000 0.242 368 G HA3 0.418 4.379 3.960 0.002 0.000 0.242 368 G C -1.521 173.212 174.900 -0.280 0.000 1.208 368 G CA -0.284 44.646 45.100 -0.283 0.000 0.912 368 G HN 0.350 nan 8.290 nan 0.000 0.502 369 S N -0.522 114.909 115.700 -0.448 0.000 2.503 369 S HA 0.762 5.233 4.470 0.002 0.000 0.301 369 S C -0.088 174.402 174.600 -0.184 0.000 1.087 369 S CA -0.270 57.789 58.200 -0.234 0.000 1.042 369 S CB 1.594 64.672 63.200 -0.203 0.000 1.043 369 S HN 1.511 nan 8.310 nan 0.000 0.489 370 V N 0.106 120.017 119.914 -0.006 0.000 3.126 370 V HA 1.055 5.176 4.120 0.002 0.000 0.314 370 V C -0.507 175.655 176.094 0.114 0.000 1.138 370 V CA -0.860 61.521 62.300 0.135 0.000 1.034 370 V CB 1.668 33.624 31.823 0.222 0.000 1.075 370 V HN 1.006 nan 8.190 nan 0.000 0.442 371 S N -0.470 115.325 115.700 0.159 0.000 2.565 371 S HA 0.986 5.457 4.470 0.002 0.000 0.269 371 S C -0.011 174.625 174.600 0.060 0.000 1.153 371 S CA 0.305 58.560 58.200 0.093 0.000 0.835 371 S CB 1.072 64.319 63.200 0.078 0.000 1.122 371 S HN 2.972 nan 8.310 nan 0.000 0.462 372 G N 1.065 109.830 108.800 -0.060 0.000 2.384 372 G HA2 0.292 4.254 3.960 0.002 0.000 0.200 372 G HA3 0.292 4.254 3.960 0.002 0.000 0.200 372 G C -0.119 174.626 174.900 -0.259 0.000 1.205 372 G CA 0.019 45.049 45.100 -0.117 0.000 1.116 372 G HN 1.849 nan 8.290 nan 0.000 0.547 373 F N 0.029 119.806 119.950 -0.288 0.000 2.988 373 F HA -0.188 4.341 4.527 0.002 0.000 0.287 373 F C 0.703 176.385 175.800 -0.197 0.000 0.781 373 F CA 1.137 58.849 58.000 -0.479 0.000 1.221 373 F CB -1.705 36.768 39.000 -0.878 0.000 1.392 373 F HN 0.574 nan 8.300 nan 0.000 0.425 374 N N 0.070 118.805 118.700 0.059 0.000 2.419 374 N HA 0.678 5.420 4.740 0.002 0.000 0.277 374 N C 0.386 175.988 175.510 0.154 0.000 1.006 374 N CA 0.191 53.338 53.050 0.162 0.000 0.923 374 N CB 1.673 40.247 38.487 0.145 0.000 1.140 374 N HN 0.365 nan 8.380 nan 0.000 0.488 375 G N 0.687 109.603 108.800 0.193 0.000 2.600 375 G HA2 0.318 4.279 3.960 0.002 0.000 0.293 375 G HA3 0.318 4.279 3.960 0.002 0.000 0.293 375 G C -1.280 173.718 174.900 0.164 0.000 1.408 375 G CA -0.709 44.500 45.100 0.181 0.000 0.782 375 G HN 0.316 nan 8.290 nan 0.000 0.482 376 K N -0.812 119.666 120.400 0.130 0.000 2.102 376 K HA 0.299 4.620 4.320 0.002 0.000 0.244 376 K C 1.051 177.737 176.600 0.144 0.000 1.021 376 K CA -0.528 55.797 56.287 0.062 0.000 0.913 376 K CB 1.043 33.566 32.500 0.038 0.000 1.062 376 K HN 0.668 nan 8.250 nan 0.000 0.485 377 H N 0.675 119.797 119.070 0.087 0.000 2.390 377 H HA -0.154 4.404 4.556 0.002 0.000 0.298 377 H C 0.801 176.156 175.328 0.045 0.000 1.106 377 H CA 1.470 57.543 56.048 0.043 0.000 1.297 377 H CB 0.225 29.980 29.762 -0.011 0.000 1.375 377 H HN 0.618 nan 8.280 nan 0.000 0.509 378 D N 0.231 120.737 120.400 0.178 0.000 2.388 378 D HA -0.007 4.634 4.640 0.002 0.000 0.221 378 D C -0.386 175.983 176.300 0.115 0.000 1.133 378 D CA -0.098 53.973 54.000 0.119 0.000 0.831 378 D CB -0.176 40.675 40.800 0.085 0.000 0.962 378 D HN 0.128 nan 8.370 nan 0.000 0.502 379 D N 2.791 123.276 120.400 0.142 0.000 2.417 379 D HA 0.033 4.675 4.640 0.002 0.000 0.250 379 D C -0.941 175.442 176.300 0.139 0.000 1.166 379 D CA -1.332 52.754 54.000 0.144 0.000 0.881 379 D CB 1.686 42.590 40.800 0.173 0.000 1.164 379 D HN 0.073 nan 8.370 nan 0.000 0.467 380 P HA 0.006 nan 4.420 nan 0.000 0.225 380 P C -0.278 177.057 177.300 0.057 0.000 1.156 380 P CA 0.549 63.700 63.100 0.084 0.000 0.787 380 P CB 0.648 32.387 31.700 0.065 0.000 0.802 381 A N -0.889 121.957 122.820 0.043 0.000 2.594 381 A HA 0.707 5.029 4.320 0.002 0.000 0.291 381 A C -1.303 176.242 177.584 -0.064 0.000 1.105 381 A CA -0.655 51.349 52.037 -0.055 0.000 0.694 381 A CB 0.823 19.706 19.000 -0.194 0.000 1.291 381 A HN -0.027 nan 8.150 nan 0.000 0.410 382 L N -0.077 121.078 121.223 -0.114 0.000 2.301 382 L HA 0.665 5.007 4.340 0.002 0.000 0.264 382 L C -1.334 175.278 176.870 -0.429 0.000 1.016 382 L CA -0.752 54.027 54.840 -0.103 0.000 0.821 382 L CB 1.872 43.953 42.059 0.037 0.000 1.346 382 L HN 0.779 nan 8.230 nan 0.000 0.429 383 Y N 0.829 121.041 120.300 -0.147 0.000 2.485 383 Y HA 0.631 5.182 4.550 0.002 0.000 0.345 383 Y C -0.407 175.328 175.900 -0.274 0.000 0.998 383 Y CA -0.690 57.277 58.100 -0.222 0.000 1.059 383 Y CB 2.078 40.398 38.460 -0.233 0.000 1.234 383 Y HN 0.375 nan 8.280 nan 0.000 0.461 384 F N -0.820 118.978 119.950 -0.254 0.000 2.601 384 F HA 0.928 5.456 4.527 0.002 0.000 0.309 384 F C -0.454 175.355 175.800 0.016 0.000 1.089 384 F CA -1.431 56.373 58.000 -0.327 0.000 0.940 384 F CB 1.154 39.615 39.000 -0.900 0.000 1.273 384 F HN 0.577 nan 8.300 nan 0.000 0.450 385 G N 1.541 110.486 108.800 0.241 0.000 2.389 385 G HA2 0.591 4.552 3.960 0.002 0.000 0.317 385 G HA3 0.591 4.552 3.960 0.002 0.000 0.317 385 G C -2.329 172.835 174.900 0.441 0.000 1.137 385 G CA -0.712 44.527 45.100 0.232 0.000 0.870 385 G HN 0.845 nan 8.290 nan 0.000 0.496 386 F N 1.084 121.193 119.950 0.266 0.000 2.591 386 F HA 0.651 5.180 4.527 0.002 0.000 0.309 386 F C -0.500 175.394 175.800 0.158 0.000 1.098 386 F CA -0.765 57.395 58.000 0.267 0.000 0.937 386 F CB 2.088 41.300 39.000 0.354 0.000 1.250 386 F HN 0.743 nan 8.300 nan 0.000 0.447 387 E N 3.268 123.030 120.200 -0.731 0.000 2.416 387 E HA 0.560 4.911 4.350 0.002 0.000 0.280 387 E C -2.119 174.120 176.600 -0.602 0.000 1.055 387 E CA -1.031 55.114 56.400 -0.424 0.000 0.825 387 E CB 2.456 32.054 29.700 -0.170 0.000 1.312 387 E HN 0.668 nan 8.360 nan 0.000 0.452 388 N N -0.557 117.975 118.700 -0.280 0.000 3.364 388 N HA 0.143 4.884 4.740 0.002 0.000 0.294 388 N C -0.412 175.014 175.510 -0.140 0.000 1.562 388 N CA -0.774 52.099 53.050 -0.294 0.000 0.862 388 N CB -0.450 37.928 38.487 -0.182 0.000 1.691 388 N HN 0.441 nan 8.380 nan 0.000 0.572 389 Y N -0.769 119.543 120.300 0.020 0.000 2.333 389 Y HA 0.200 4.751 4.550 0.002 0.000 0.290 389 Y C 1.882 177.768 175.900 -0.024 0.000 1.144 389 Y CA 1.835 59.929 58.100 -0.010 0.000 1.228 389 Y CB -0.321 38.174 38.460 0.057 0.000 0.985 389 Y HN 0.730 nan 8.280 nan 0.000 0.542 390 A N -0.803 122.114 122.820 0.162 0.000 2.535 390 A HA 0.254 4.576 4.320 0.002 0.000 0.273 390 A C 0.247 177.879 177.584 0.081 0.000 1.267 390 A CA -0.144 51.922 52.037 0.047 0.000 0.940 390 A CB 0.096 19.157 19.000 0.103 0.000 1.101 390 A HN 0.300 nan 8.150 nan 0.000 0.521 391 Q N 0.703 120.582 119.800 0.131 0.000 2.263 391 Q HA 0.385 4.726 4.340 0.002 0.000 0.262 391 Q C -3.168 172.673 176.000 -0.265 0.000 0.984 391 Q CA -2.058 53.745 55.803 0.000 0.000 0.813 391 Q CB 2.669 31.508 28.738 0.168 0.000 1.299 391 Q HN 0.079 nan 8.270 nan 0.000 0.428 392 P HA 0.148 nan 4.420 nan 0.000 0.270 392 P C -2.596 174.477 177.300 -0.379 0.000 1.223 392 P CA -1.089 61.313 63.100 -1.164 0.000 0.785 392 P CB -0.007 30.993 31.700 -1.167 0.000 0.923 393 P HA 0.011 nan 4.420 nan 0.000 0.258 393 P C -0.657 176.620 177.300 -0.038 0.000 1.172 393 P CA 1.017 64.092 63.100 -0.042 0.000 0.762 393 P CB -0.105 31.607 31.700 0.019 0.000 0.764 394 T N 4.297 118.871 114.554 0.033 0.000 2.863 394 T HA 0.486 4.838 4.350 0.002 0.000 0.285 394 T C -0.199 174.433 174.700 -0.113 0.000 1.009 394 T CA -0.608 61.447 62.100 -0.074 0.000 0.989 394 T CB 0.852 69.683 68.868 -0.062 0.000 1.004 394 T HN 0.126 nan 8.240 nan 0.000 0.455 395 L N 3.084 124.159 121.223 -0.246 0.000 2.295 395 L HA 0.558 4.899 4.340 0.002 0.000 0.285 395 L C -1.123 175.486 176.870 -0.435 0.000 1.035 395 L CA -0.806 53.928 54.840 -0.176 0.000 0.806 395 L CB 0.762 42.860 42.059 0.065 0.000 1.214 395 L HN 0.665 nan 8.230 nan 0.000 0.426 396 Y N 1.988 122.056 120.300 -0.387 0.000 2.524 396 Y HA 0.505 5.057 4.550 0.002 0.000 0.344 396 Y C -0.002 175.633 175.900 -0.442 0.000 1.012 396 Y CA -0.785 57.007 58.100 -0.514 0.000 1.068 396 Y CB 1.898 39.705 38.460 -1.089 0.000 1.249 396 Y HN 0.454 nan 8.280 nan 0.000 0.468 397 R N 2.505 122.936 120.500 -0.114 0.000 2.407 397 R HA 0.490 4.831 4.340 0.002 0.000 0.303 397 R C -1.982 174.279 176.300 -0.065 0.000 0.981 397 R CA -0.481 55.434 56.100 -0.308 0.000 0.905 397 R CB 0.742 30.905 30.300 -0.228 0.000 1.099 397 R HN 0.676 nan 8.270 nan 0.000 0.459 398 F N 3.517 123.319 119.950 -0.246 0.000 2.493 398 F HA 0.335 4.863 4.527 0.002 0.000 0.329 398 F C -0.802 174.957 175.800 -0.068 0.000 1.126 398 F CA -0.791 57.186 58.000 -0.038 0.000 0.937 398 F CB 1.659 40.688 39.000 0.049 0.000 1.146 398 F HN 0.458 nan 8.300 nan 0.000 0.442 399 E N 7.905 127.700 120.200 -0.675 0.000 2.046 399 E HA 0.204 4.555 4.350 0.002 0.000 0.279 399 E C -2.121 173.978 176.600 -0.834 0.000 0.989 399 E CA -1.856 54.232 56.400 -0.520 0.000 0.798 399 E CB 1.210 30.720 29.700 -0.317 0.000 1.086 399 E HN 0.450 nan 8.360 nan 0.000 0.399 400 P HA -0.172 nan 4.420 nan 0.000 0.216 400 P C 1.042 178.178 177.300 -0.273 0.000 1.150 400 P CA 1.399 64.363 63.100 -0.226 0.000 0.843 400 P CB 0.399 32.239 31.700 0.235 0.000 0.787 401 K N -0.393 119.932 120.400 -0.124 0.000 2.031 401 K HA -0.045 4.277 4.320 0.002 0.000 0.205 401 K C 2.248 178.783 176.600 -0.108 0.000 1.049 401 K CA 1.945 58.202 56.287 -0.049 0.000 0.939 401 K CB -0.435 32.076 32.500 0.018 0.000 0.717 401 K HN 0.223 nan 8.250 nan 0.000 0.438 402 S N -1.101 114.503 115.700 -0.161 0.000 2.503 402 S HA 0.148 4.619 4.470 0.002 0.000 0.215 402 S C 1.500 175.999 174.600 -0.169 0.000 1.003 402 S CA 0.379 58.497 58.200 -0.136 0.000 0.910 402 S CB 0.648 63.780 63.200 -0.113 0.000 0.790 402 S HN 0.434 nan 8.310 nan 0.000 0.514 403 G N 1.255 109.853 108.800 -0.336 0.000 2.179 403 G HA2 -0.145 3.816 3.960 0.002 0.000 0.260 403 G HA3 -0.145 3.816 3.960 0.002 0.000 0.260 403 G C 0.296 175.082 174.900 -0.190 0.000 0.977 403 G CA 0.018 44.955 45.100 -0.271 0.000 0.641 403 G HN 1.322 nan 8.290 nan 0.000 0.533 404 A N -0.150 122.529 122.820 -0.235 0.000 2.477 404 A HA 0.659 4.980 4.320 0.002 0.000 0.246 404 A C 0.408 177.961 177.584 -0.052 0.000 1.078 404 A CA 0.426 52.400 52.037 -0.104 0.000 0.770 404 A CB 0.300 19.241 19.000 -0.098 0.000 1.011 404 A HN 0.824 nan 8.150 nan 0.000 0.494 405 I N 1.694 122.308 120.570 0.074 0.000 2.569 405 I HA 0.492 4.663 4.170 0.002 0.000 0.296 405 I C 0.116 176.303 176.117 0.117 0.000 1.028 405 I CA -0.232 61.171 61.300 0.171 0.000 1.082 405 I CB 2.417 40.577 38.000 0.268 0.000 1.264 405 I HN 0.801 nan 8.210 nan 0.000 0.429 406 S N 5.279 121.058 115.700 0.133 0.000 2.556 406 S HA 0.577 5.048 4.470 0.002 0.000 0.271 406 S C -1.000 173.683 174.600 0.138 0.000 1.135 406 S CA -0.872 57.397 58.200 0.115 0.000 0.858 406 S CB 1.976 65.203 63.200 0.044 0.000 1.114 406 S HN 0.482 nan 8.310 nan 0.000 0.468 407 L N 2.668 123.926 121.223 0.058 0.000 2.455 407 L HA 0.354 4.696 4.340 0.002 0.000 0.272 407 L C 0.346 177.152 176.870 -0.107 0.000 1.174 407 L CA 0.212 54.951 54.840 -0.168 0.000 0.869 407 L CB 0.204 42.152 42.059 -0.185 0.000 1.130 407 L HN 0.881 nan 8.230 nan 0.000 0.474 408 Y N 5.165 125.300 120.300 -0.275 0.000 2.422 408 Y HA 0.426 4.977 4.550 0.002 0.000 0.291 408 Y C 0.248 176.028 175.900 -0.199 0.000 1.144 408 Y CA 0.273 58.283 58.100 -0.150 0.000 1.208 408 Y CB 0.523 38.981 38.460 -0.005 0.000 1.195 408 Y HN 0.479 nan 8.280 nan 0.000 0.535 409 R N 0.874 121.166 120.500 -0.346 0.000 2.515 409 R HA 0.562 4.903 4.340 0.002 0.000 0.291 409 R C -0.958 175.166 176.300 -0.294 0.000 1.046 409 R CA -0.344 55.525 56.100 -0.386 0.000 0.914 409 R CB 1.348 31.432 30.300 -0.360 0.000 1.191 409 R HN 0.260 nan 8.270 nan 0.000 0.435 410 A N 1.698 124.363 122.820 -0.259 0.000 2.304 410 A HA 0.364 4.685 4.320 0.002 0.000 0.271 410 A C 0.455 177.935 177.584 -0.174 0.000 1.091 410 A CA -0.141 51.769 52.037 -0.212 0.000 0.812 410 A CB 0.745 19.642 19.000 -0.170 0.000 1.056 410 A HN 0.623 nan 8.150 nan 0.000 0.489 411 S N -0.152 115.449 115.700 -0.166 0.000 2.579 411 S HA 0.361 4.832 4.470 0.002 0.000 0.275 411 S C 1.143 175.649 174.600 -0.156 0.000 1.345 411 S CA 0.046 58.150 58.200 -0.161 0.000 1.031 411 S CB 0.752 63.796 63.200 -0.260 0.000 0.892 411 S HN 1.441 nan 8.310 nan 0.000 0.529 412 A N 3.451 126.211 122.820 -0.099 0.000 2.218 412 A HA 0.552 4.873 4.320 0.002 0.000 0.209 412 A C 1.079 178.544 177.584 -0.198 0.000 1.168 412 A CA 0.464 52.462 52.037 -0.066 0.000 0.804 412 A CB -0.770 18.276 19.000 0.078 0.000 0.834 412 A HN 1.176 nan 8.150 nan 0.000 0.482 413 A N 1.475 123.952 122.820 -0.571 0.000 2.498 413 A HA 0.437 4.759 4.320 0.002 0.000 0.239 413 A C -1.572 175.815 177.584 -0.328 0.000 1.068 413 A CA -0.772 50.781 52.037 -0.807 0.000 0.766 413 A CB -0.179 18.170 19.000 -1.085 0.000 1.003 413 A HN 0.254 nan 8.150 nan 0.000 0.497 414 P HA 0.169 nan 4.420 nan 0.000 0.249 414 P C -1.109 175.689 177.300 -0.838 0.000 1.686 414 P CA 0.594 63.385 63.100 -0.515 0.000 0.873 414 P CB -0.769 30.634 31.700 -0.495 0.000 1.828 415 F N -0.088 119.836 119.950 -0.043 0.000 2.617 415 F HA 0.344 4.872 4.527 0.002 0.000 0.325 415 F C 0.541 176.389 175.800 0.080 0.000 1.179 415 F CA -0.981 57.072 58.000 0.088 0.000 0.965 415 F CB 2.031 41.073 39.000 0.070 0.000 1.232 415 F HN -0.331 nan 8.300 nan 0.000 0.461 416 K N 4.594 125.170 120.400 0.293 0.000 2.285 416 K HA 0.241 4.563 4.320 0.002 0.000 0.286 416 K C -2.004 174.768 176.600 0.286 0.000 1.072 416 K CA -1.498 54.892 56.287 0.173 0.000 0.913 416 K CB 1.088 33.625 32.500 0.062 0.000 1.067 416 K HN 0.211 nan 8.250 nan 0.000 0.479 417 P HA -0.270 nan 4.420 nan 0.000 0.217 417 P C 0.861 178.290 177.300 0.215 0.000 1.148 417 P CA 1.244 64.493 63.100 0.249 0.000 0.828 417 P CB 0.197 31.982 31.700 0.142 0.000 0.783 418 E N -0.760 119.504 120.200 0.106 0.000 2.418 418 E HA -0.154 4.197 4.350 0.002 0.000 0.197 418 E C 0.688 177.272 176.600 -0.026 0.000 1.026 418 E CA 0.991 57.418 56.400 0.045 0.000 0.862 418 E CB -0.908 28.802 29.700 0.018 0.000 0.799 418 E HN 0.312 nan 8.360 nan 0.000 0.518 419 D N -0.164 120.162 120.400 -0.125 0.000 2.349 419 D HA 0.051 4.692 4.640 0.002 0.000 0.215 419 D C -0.231 175.706 176.300 -0.606 0.000 1.016 419 D CA 0.419 54.173 54.000 -0.409 0.000 0.870 419 D CB 0.084 40.505 40.800 -0.633 0.000 0.917 419 D HN 0.222 nan 8.370 nan 0.000 0.524 420 Y N -0.718 119.614 120.300 0.054 0.000 2.598 420 Y HA 0.520 5.072 4.550 0.002 0.000 0.340 420 Y C 0.134 176.015 175.900 -0.030 0.000 1.038 420 Y CA -1.142 56.973 58.100 0.026 0.000 1.100 420 Y CB 1.722 40.213 38.460 0.051 0.000 1.281 420 Y HN -0.430 nan 8.280 nan 0.000 0.488 421 V N 0.693 120.609 119.914 0.003 0.000 2.735 421 V HA 0.622 4.743 4.120 0.002 0.000 0.310 421 V C -0.824 175.106 176.094 -0.273 0.000 1.061 421 V CA -0.700 61.491 62.300 -0.182 0.000 0.913 421 V CB 2.123 33.721 31.823 -0.375 0.000 1.005 421 V HN 0.765 nan 8.190 nan 0.000 0.428 422 S N 2.817 118.453 115.700 -0.105 0.000 2.614 422 S HA 0.617 5.088 4.470 0.002 0.000 0.288 422 S C -1.062 173.555 174.600 0.029 0.000 1.137 422 S CA -0.711 57.478 58.200 -0.018 0.000 0.992 422 S CB 1.266 64.530 63.200 0.107 0.000 1.026 422 S HN 0.926 nan 8.310 nan 0.000 0.486 423 E N 2.271 122.503 120.200 0.054 0.000 2.367 423 E HA 0.514 4.866 4.350 0.002 0.000 0.273 423 E C -1.206 175.445 176.600 0.086 0.000 0.903 423 E CA -1.020 55.443 56.400 0.104 0.000 0.764 423 E CB 1.636 31.440 29.700 0.173 0.000 1.252 423 E HN 0.436 nan 8.360 nan 0.000 0.446 424 Q N 1.814 121.655 119.800 0.068 0.000 2.316 424 Q HA 0.382 4.723 4.340 0.002 0.000 0.264 424 Q C -0.970 174.986 176.000 -0.073 0.000 0.987 424 Q CA -0.823 54.953 55.803 -0.046 0.000 0.852 424 Q CB 1.189 29.880 28.738 -0.079 0.000 1.287 424 Q HN 0.424 nan 8.270 nan 0.000 0.448 425 R N 2.490 122.871 120.500 -0.199 0.000 2.912 425 R HA 0.562 4.903 4.340 0.002 0.000 0.262 425 R C -1.286 174.722 176.300 -0.486 0.000 1.057 425 R CA -0.671 55.375 56.100 -0.090 0.000 0.981 425 R CB 1.224 31.635 30.300 0.184 0.000 1.201 425 R HN 0.579 nan 8.270 nan 0.000 0.484 426 F N 1.122 121.070 119.950 -0.004 0.000 2.539 426 F HA 0.393 4.921 4.527 0.002 0.000 0.318 426 F C -0.217 175.473 175.800 -0.185 0.000 1.135 426 F CA -0.862 57.079 58.000 -0.098 0.000 0.915 426 F CB 1.327 40.296 39.000 -0.052 0.000 1.176 426 F HN 0.422 nan 8.300 nan 0.000 0.440 427 Y N -0.476 119.711 120.300 -0.188 0.000 2.630 427 Y HA 0.737 5.288 4.550 0.002 0.000 0.337 427 Y C -1.024 174.864 175.900 -0.020 0.000 1.051 427 Y CA -1.454 56.482 58.100 -0.273 0.000 1.121 427 Y CB 1.065 39.147 38.460 -0.631 0.000 1.299 427 Y HN 0.488 nan 8.280 nan 0.000 0.498 428 Q N 1.481 121.400 119.800 0.198 0.000 2.293 428 Q HA 0.393 4.734 4.340 0.002 0.000 0.261 428 Q C -0.570 175.558 176.000 0.214 0.000 0.960 428 Q CA -0.883 54.992 55.803 0.120 0.000 0.882 428 Q CB 2.111 30.919 28.738 0.116 0.000 1.275 428 Q HN 0.838 nan 8.270 nan 0.000 0.445 429 S N 1.187 116.958 115.700 0.118 0.000 2.634 429 S HA 0.056 4.527 4.470 0.002 0.000 0.261 429 S C 1.177 175.837 174.600 0.101 0.000 1.271 429 S CA -0.255 58.035 58.200 0.151 0.000 0.985 429 S CB 0.892 64.134 63.200 0.071 0.000 0.968 429 S HN 0.758 nan 8.310 nan 0.000 0.568 430 K N 0.664 121.116 120.400 0.087 0.000 2.059 430 K HA -0.210 4.111 4.320 0.002 0.000 0.212 430 K C 0.941 177.564 176.600 0.038 0.000 1.050 430 K CA 2.338 58.661 56.287 0.060 0.000 0.927 430 K CB -0.449 32.080 32.500 0.048 0.000 0.714 430 K HN 0.782 nan 8.250 nan 0.000 0.447 431 D N -1.779 118.633 120.400 0.019 0.000 2.319 431 D HA 0.061 4.703 4.640 0.002 0.000 0.230 431 D C 1.007 177.310 176.300 0.006 0.000 1.094 431 D CA 0.761 54.764 54.000 0.005 0.000 0.856 431 D CB 0.363 41.153 40.800 -0.017 0.000 0.915 431 D HN 0.500 nan 8.370 nan 0.000 0.517 432 G N -0.604 108.208 108.800 0.020 0.000 2.234 432 G HA2 -0.268 3.693 3.960 0.002 0.000 0.235 432 G HA3 -0.268 3.693 3.960 0.002 0.000 0.235 432 G C 0.506 175.412 174.900 0.010 0.000 0.997 432 G CA 0.135 45.247 45.100 0.019 0.000 0.623 432 G HN 0.454 nan 8.290 nan 0.000 0.514 433 T N 1.659 116.214 114.554 0.001 0.000 2.908 433 T HA 0.345 4.696 4.350 0.002 0.000 0.301 433 T C 0.646 175.344 174.700 -0.003 0.000 1.019 433 T CA 0.344 62.447 62.100 0.004 0.000 1.152 433 T CB 1.089 69.942 68.868 -0.025 0.000 0.966 433 T HN 0.506 nan 8.240 nan 0.000 0.540 434 R N 2.358 122.861 120.500 0.006 0.000 2.265 434 R HA 0.490 4.832 4.340 0.002 0.000 0.314 434 R C -1.187 175.120 176.300 0.013 0.000 1.053 434 R CA -0.394 55.688 56.100 -0.029 0.000 0.931 434 R CB 0.461 30.737 30.300 -0.040 0.000 1.024 434 R HN 0.432 nan 8.270 nan 0.000 0.457 435 V N 6.709 126.491 119.914 -0.219 0.000 2.656 435 V HA 0.416 4.537 4.120 0.002 0.000 0.307 435 V C -2.329 173.626 176.094 -0.233 0.000 1.051 435 V CA -2.307 59.872 62.300 -0.201 0.000 0.893 435 V CB 1.985 33.443 31.823 -0.608 0.000 0.999 435 V HN 0.806 nan 8.190 nan 0.000 0.426 436 P HA 0.479 nan 4.420 nan 0.000 0.278 436 P C -1.192 176.062 177.300 -0.077 0.000 1.238 436 P CA -0.359 62.616 63.100 -0.208 0.000 0.794 436 P CB 0.919 32.597 31.700 -0.037 0.000 0.955 437 L N 3.754 124.875 121.223 -0.171 0.000 2.476 437 L HA 0.500 4.842 4.340 0.002 0.000 0.269 437 L C -1.492 175.339 176.870 -0.065 0.000 0.965 437 L CA -0.323 54.520 54.840 0.005 0.000 0.845 437 L CB 1.175 43.303 42.059 0.116 0.000 1.259 437 L HN 0.241 nan 8.230 nan 0.000 0.403 438 I N 6.112 126.671 120.570 -0.020 0.000 2.354 438 I HA 0.457 4.629 4.170 0.002 0.000 0.292 438 I C -0.593 175.497 176.117 -0.044 0.000 0.989 438 I CA -0.427 60.878 61.300 0.008 0.000 1.188 438 I CB 1.453 39.535 38.000 0.137 0.000 1.342 438 I HN 0.511 nan 8.210 nan 0.000 0.457 439 I N 5.310 125.873 120.570 -0.012 0.000 2.433 439 I HA 0.398 4.569 4.170 0.002 0.000 0.292 439 I C -0.350 175.801 176.117 0.056 0.000 1.001 439 I CA -0.181 61.108 61.300 -0.019 0.000 1.119 439 I CB 1.913 39.843 38.000 -0.117 0.000 1.289 439 I HN 0.449 nan 8.210 nan 0.000 0.438 440 S N 4.826 120.589 115.700 0.106 0.000 2.542 440 S HA 0.851 5.323 4.470 0.002 0.000 0.293 440 S C -1.265 173.464 174.600 0.215 0.000 1.089 440 S CA -0.701 57.526 58.200 0.044 0.000 0.961 440 S CB 1.909 65.184 63.200 0.126 0.000 1.062 440 S HN 0.602 nan 8.310 nan 0.000 0.483 441 Y N -1.288 119.132 120.300 0.200 0.000 2.779 441 Y HA 0.565 5.117 4.550 0.002 0.000 0.340 441 Y C -0.885 175.163 175.900 0.246 0.000 1.252 441 Y CA -1.467 56.748 58.100 0.192 0.000 1.072 441 Y CB 0.460 39.008 38.460 0.148 0.000 1.343 441 Y HN 0.375 nan 8.280 nan 0.000 0.450 442 R N 2.136 122.882 120.500 0.409 0.000 2.491 442 R HA 0.214 4.555 4.340 0.002 0.000 0.283 442 R C -0.393 176.046 176.300 0.231 0.000 1.072 442 R CA -0.379 55.842 56.100 0.203 0.000 1.048 442 R CB 0.809 31.162 30.300 0.089 0.000 0.983 442 R HN 0.777 nan 8.270 nan 0.000 0.450 443 K N 0.131 120.578 120.400 0.079 0.000 2.440 443 K HA -0.000 4.321 4.320 0.002 0.000 0.270 443 K C 0.924 177.582 176.600 0.096 0.000 0.980 443 K CA 1.232 57.591 56.287 0.120 0.000 0.953 443 K CB 0.351 32.867 32.500 0.027 0.000 0.925 443 K HN 0.875 nan 8.250 nan 0.000 0.497 444 G N 1.508 110.372 108.800 0.106 0.000 2.176 444 G HA2 -0.241 3.721 3.960 0.002 0.000 0.232 444 G HA3 -0.241 3.721 3.960 0.002 0.000 0.232 444 G C -0.086 174.832 174.900 0.029 0.000 0.986 444 G CA -0.032 45.097 45.100 0.048 0.000 0.643 444 G HN 0.536 nan 8.290 nan 0.000 0.522 445 L N 0.756 122.008 121.223 0.048 0.000 2.426 445 L HA 0.621 4.962 4.340 0.002 0.000 0.271 445 L C 0.375 177.182 176.870 -0.106 0.000 1.169 445 L CA -0.250 54.549 54.840 -0.068 0.000 0.836 445 L CB 0.414 42.322 42.059 -0.252 0.000 1.112 445 L HN 0.110 nan 8.230 nan 0.000 0.465 446 K N 5.473 125.804 120.400 -0.115 0.000 2.164 446 K HA 0.371 4.692 4.320 0.002 0.000 0.258 446 K C -0.609 175.889 176.600 -0.170 0.000 0.951 446 K CA -0.686 55.532 56.287 -0.117 0.000 0.844 446 K CB 1.784 34.237 32.500 -0.078 0.000 1.099 446 K HN 0.633 nan 8.250 nan 0.000 0.435 447 L N 3.739 124.840 121.223 -0.202 0.000 2.727 447 L HA 0.046 4.388 4.340 0.002 0.000 0.237 447 L C 0.214 176.973 176.870 -0.184 0.000 1.370 447 L CA -0.025 54.651 54.840 -0.274 0.000 1.248 447 L CB -0.672 41.171 42.059 -0.360 0.000 1.556 447 L HN 0.657 nan 8.230 nan 0.000 0.420 448 D N -1.060 119.261 120.400 -0.131 0.000 2.388 448 D HA 0.086 4.727 4.640 0.002 0.000 0.221 448 D C 1.367 177.622 176.300 -0.076 0.000 1.133 448 D CA 0.118 54.063 54.000 -0.092 0.000 0.831 448 D CB 0.471 41.230 40.800 -0.068 0.000 0.962 448 D HN 0.289 nan 8.370 nan 0.000 0.502 449 G N 0.624 109.372 108.800 -0.086 0.000 2.166 449 G HA2 -0.364 3.598 3.960 0.002 0.000 0.260 449 G HA3 -0.364 3.598 3.960 0.002 0.000 0.260 449 G C 1.002 175.888 174.900 -0.023 0.000 0.986 449 G CA 0.909 45.977 45.100 -0.053 0.000 0.683 449 G HN 0.735 nan 8.290 nan 0.000 0.527 450 S N -0.908 114.780 115.700 -0.021 0.000 2.539 450 S HA 0.211 4.683 4.470 0.002 0.000 0.221 450 S C 0.580 175.204 174.600 0.040 0.000 0.987 450 S CA -0.035 58.167 58.200 0.003 0.000 0.929 450 S CB 0.268 63.465 63.200 -0.006 0.000 0.832 450 S HN 0.405 nan 8.310 nan 0.000 0.492 451 N N 4.778 123.497 118.700 0.032 0.000 2.475 451 N HA 0.218 4.959 4.740 0.002 0.000 0.267 451 N C -2.887 172.684 175.510 0.102 0.000 1.169 451 N CA -0.934 52.144 53.050 0.045 0.000 0.947 451 N CB 0.607 39.103 38.487 0.016 0.000 1.061 451 N HN 0.328 nan 8.380 nan 0.000 0.466 452 P HA 0.060 nan 4.420 nan 0.000 0.271 452 P C -0.620 176.878 177.300 0.331 0.000 1.233 452 P CA 0.169 63.404 63.100 0.225 0.000 0.764 452 P CB 0.510 32.288 31.700 0.131 0.000 0.825 453 T N 4.606 119.393 114.554 0.388 0.000 2.876 453 T HA 0.547 4.898 4.350 0.002 0.000 0.289 453 T C 0.112 175.005 174.700 0.322 0.000 1.014 453 T CA -0.402 61.934 62.100 0.394 0.000 0.986 453 T CB 1.063 70.048 68.868 0.195 0.000 1.021 453 T HN 0.229 nan 8.240 nan 0.000 0.458 454 I N 3.240 123.976 120.570 0.276 0.000 2.362 454 I HA 0.396 4.568 4.170 0.002 0.000 0.289 454 I C -0.955 175.157 176.117 -0.008 0.000 0.994 454 I CA -0.946 60.394 61.300 0.065 0.000 1.158 454 I CB 1.603 39.541 38.000 -0.104 0.000 1.315 454 I HN 0.315 nan 8.210 nan 0.000 0.451 455 L N 8.654 129.864 121.223 -0.022 0.000 2.272 455 L HA 0.453 4.794 4.340 0.002 0.000 0.289 455 L C -1.393 175.564 176.870 0.145 0.000 1.032 455 L CA -0.161 54.633 54.840 -0.078 0.000 0.810 455 L CB 0.861 42.776 42.059 -0.240 0.000 1.205 455 L HN 0.438 nan 8.230 nan 0.000 0.422 456 Y N 4.275 124.559 120.300 -0.027 0.000 2.429 456 Y HA 0.831 5.383 4.550 0.002 0.000 0.342 456 Y C 0.060 176.085 175.900 0.209 0.000 1.004 456 Y CA -0.039 58.120 58.100 0.098 0.000 1.075 456 Y CB 1.994 40.383 38.460 -0.118 0.000 1.214 456 Y HN 0.761 nan 8.280 nan 0.000 0.455 457 G N 2.999 111.496 108.800 -0.505 0.000 2.649 457 G HA2 0.305 4.267 3.960 0.002 0.000 0.290 457 G HA3 0.305 4.267 3.960 0.002 0.000 0.290 457 G C -2.059 172.498 174.900 -0.572 0.000 1.426 457 G CA -0.400 44.421 45.100 -0.464 0.000 0.794 457 G HN 0.628 nan 8.290 nan 0.000 0.483 458 Y N -0.284 119.775 120.300 -0.402 0.000 3.274 458 Y HA 0.469 5.020 4.550 0.002 0.000 0.174 458 Y C 1.440 177.227 175.900 -0.189 0.000 0.880 458 Y CA 1.533 59.470 58.100 -0.272 0.000 1.793 458 Y CB 0.549 38.942 38.460 -0.112 0.000 1.409 458 Y HN 1.742 nan 8.280 nan 0.000 0.368 459 G N 1.102 109.937 108.800 0.059 0.000 2.545 459 G HA2 0.369 4.330 3.960 0.002 0.000 0.279 459 G HA3 0.369 4.330 3.960 0.002 0.000 0.279 459 G C -0.008 174.836 174.900 -0.093 0.000 1.131 459 G CA 0.379 45.450 45.100 -0.049 0.000 1.100 459 G HN 1.408 nan 8.290 nan 0.000 0.525 460 G N -1.313 107.544 108.800 0.094 0.000 2.316 460 G HA2 0.602 4.563 3.960 0.002 0.000 0.296 460 G HA3 0.602 4.563 3.960 0.002 0.000 0.296 460 G C 0.053 175.095 174.900 0.238 0.000 1.399 460 G CA 0.173 45.286 45.100 0.021 0.000 0.833 460 G HN 1.466 nan 8.290 nan 0.000 0.565 461 F N -0.520 119.466 119.950 0.059 0.000 3.093 461 F HA -0.222 4.306 4.527 0.002 0.000 0.283 461 F C 1.236 176.870 175.800 -0.277 0.000 0.848 461 F CA 1.915 59.899 58.000 -0.026 0.000 1.059 461 F CB -1.302 37.729 39.000 0.051 0.000 1.191 461 F HN 1.009 nan 8.300 nan 0.000 0.514 462 D N -0.990 119.117 120.400 -0.487 0.000 3.012 462 D HA -0.183 4.458 4.640 0.002 0.000 0.222 462 D C -0.168 176.096 176.300 -0.061 0.000 1.167 462 D CA 1.001 54.775 54.000 -0.377 0.000 0.854 462 D CB -0.804 39.713 40.800 -0.471 0.000 1.107 462 D HN 0.217 nan 8.370 nan 0.000 0.421 463 V N 0.857 120.802 119.914 0.052 0.000 2.461 463 V HA 0.385 4.506 4.120 0.002 0.000 0.275 463 V C 0.795 176.912 176.094 0.038 0.000 1.047 463 V CA -0.271 62.038 62.300 0.015 0.000 0.955 463 V CB 1.753 33.525 31.823 -0.085 0.000 0.988 463 V HN 0.171 nan 8.190 nan 0.000 0.471 464 S N 5.840 121.540 115.700 0.000 0.000 2.508 464 S HA 0.555 5.026 4.470 0.002 0.000 0.284 464 S C -0.248 174.363 174.600 0.017 0.000 1.192 464 S CA -0.524 57.688 58.200 0.019 0.000 1.070 464 S CB 0.850 64.036 63.200 -0.023 0.000 1.004 464 S HN 0.511 nan 8.310 nan 0.000 0.493 465 L N 4.403 125.671 121.223 0.075 0.000 2.270 465 L HA 0.322 4.663 4.340 0.002 0.000 0.286 465 L C 0.605 177.541 176.870 0.111 0.000 1.059 465 L CA -0.437 54.474 54.840 0.119 0.000 0.839 465 L CB 0.266 42.455 42.059 0.217 0.000 1.221 465 L HN 0.681 nan 8.230 nan 0.000 0.431 466 T N 0.753 115.335 114.554 0.048 0.000 2.895 466 T HA 0.568 4.920 4.350 0.002 0.000 0.283 466 T C -2.563 172.061 174.700 -0.126 0.000 1.014 466 T CA -2.353 59.736 62.100 -0.019 0.000 1.037 466 T CB 1.625 70.457 68.868 -0.059 0.000 1.006 466 T HN 0.153 nan 8.240 nan 0.000 0.468 467 P HA 0.303 nan 4.420 nan 0.000 0.265 467 P C -0.650 176.270 177.300 -0.633 0.000 1.193 467 P CA -0.083 62.513 63.100 -0.840 0.000 0.765 467 P CB 0.431 31.765 31.700 -0.610 0.000 0.823 468 S N 2.327 117.581 115.700 -0.744 0.000 2.533 468 S HA 0.533 5.004 4.470 0.002 0.000 0.271 468 S C -1.089 173.367 174.600 -0.240 0.000 1.143 468 S CA -0.905 57.091 58.200 -0.340 0.000 0.891 468 S CB 0.601 63.684 63.200 -0.195 0.000 1.105 468 S HN 0.216 nan 8.310 nan 0.000 0.468 469 F N 3.415 123.215 119.950 -0.248 0.000 2.443 469 F HA 0.628 5.156 4.527 0.002 0.000 0.353 469 F C 0.387 176.068 175.800 -0.198 0.000 1.101 469 F CA 0.524 58.397 58.000 -0.212 0.000 1.226 469 F CB 1.081 39.968 39.000 -0.189 0.000 1.140 469 F HN 0.902 nan 8.300 nan 0.000 0.557 470 S N 4.854 119.874 115.700 -1.134 0.000 2.547 470 S HA 0.419 4.890 4.470 0.002 0.000 0.281 470 S C 0.027 173.866 174.600 -1.268 0.000 1.118 470 S CA -0.768 56.904 58.200 -0.880 0.000 0.947 470 S CB 1.444 64.336 63.200 -0.514 0.000 1.053 470 S HN 0.500 nan 8.310 nan 0.000 0.482 471 V N 3.357 122.736 119.914 -0.891 0.000 2.343 471 V HA -0.124 3.998 4.120 0.002 0.000 0.247 471 V C 2.894 178.718 176.094 -0.450 0.000 1.051 471 V CA 2.482 64.389 62.300 -0.656 0.000 1.036 471 V CB -0.955 30.654 31.823 -0.357 0.000 0.654 471 V HN 1.029 nan 8.190 nan 0.000 0.451 472 S N -0.282 115.217 115.700 -0.335 0.000 2.359 472 S HA -0.193 4.279 4.470 0.002 0.000 0.224 472 S C 1.995 176.575 174.600 -0.033 0.000 1.035 472 S CA 2.162 60.383 58.200 0.035 0.000 1.018 472 S CB -0.272 62.996 63.200 0.113 0.000 0.876 472 S HN 0.324 nan 8.310 nan 0.000 0.448 473 V N 2.184 121.899 119.914 -0.332 0.000 2.407 473 V HA -0.093 4.029 4.120 0.002 0.000 0.248 473 V C 2.944 178.800 176.094 -0.397 0.000 1.055 473 V CA 1.684 63.714 62.300 -0.450 0.000 1.049 473 V CB -1.410 29.970 31.823 -0.739 0.000 0.662 473 V HN 0.646 nan 8.190 nan 0.000 0.455 474 A N -0.016 122.425 122.820 -0.632 0.000 1.933 474 A HA -0.246 4.075 4.320 0.002 0.000 0.218 474 A C 2.114 179.528 177.584 -0.284 0.000 1.175 474 A CA 2.000 53.612 52.037 -0.708 0.000 0.628 474 A CB -0.683 17.410 19.000 -1.510 0.000 0.814 474 A HN 0.629 nan 8.150 nan 0.000 0.444 475 N N -1.215 117.414 118.700 -0.119 0.000 2.188 475 N HA -0.170 4.571 4.740 0.002 0.000 0.184 475 N C 1.684 177.188 175.510 -0.009 0.000 1.018 475 N CA 1.312 54.429 53.050 0.111 0.000 0.858 475 N CB -0.265 38.354 38.487 0.219 0.000 0.989 475 N HN 0.844 nan 8.380 nan 0.000 0.426 476 W N 2.468 123.540 121.300 -0.380 0.000 2.358 476 W HA -0.122 4.539 4.660 0.002 0.000 0.303 476 W C 1.626 178.015 176.519 -0.217 0.000 1.208 476 W CA 0.758 57.795 57.345 -0.512 0.000 1.274 476 W CB -0.180 28.861 29.460 -0.699 0.000 1.138 476 W HN 0.021 nan 8.180 nan 0.000 0.515 477 L N 0.414 121.584 121.223 -0.089 0.000 2.083 477 L HA -0.234 4.107 4.340 0.002 0.000 0.209 477 L C 2.070 178.950 176.870 0.018 0.000 1.083 477 L CA 1.527 56.351 54.840 -0.027 0.000 0.752 477 L CB -1.174 40.958 42.059 0.121 0.000 0.899 477 L HN -0.161 nan 8.230 nan 0.000 0.433 478 D N 0.284 120.739 120.400 0.092 0.000 2.219 478 D HA -0.086 4.555 4.640 0.002 0.000 0.205 478 D C 2.257 178.524 176.300 -0.055 0.000 0.970 478 D CA 0.935 55.004 54.000 0.115 0.000 0.851 478 D CB 0.014 40.947 40.800 0.223 0.000 0.943 478 D HN 0.303 nan 8.370 nan 0.000 0.488 479 L N -0.828 120.276 121.223 -0.197 0.000 2.552 479 L HA 0.127 4.469 4.340 0.002 0.000 0.227 479 L C 1.454 178.077 176.870 -0.412 0.000 1.146 479 L CA 0.587 55.236 54.840 -0.318 0.000 0.858 479 L CB -0.103 41.692 42.059 -0.440 0.000 0.969 479 L HN 0.138 nan 8.230 nan 0.000 0.451 480 G N -0.297 108.285 108.800 -0.364 0.000 2.148 480 G HA2 -0.179 3.782 3.960 0.002 0.000 0.203 480 G HA3 -0.179 3.782 3.960 0.002 0.000 0.203 480 G C 0.439 175.079 174.900 -0.434 0.000 0.993 480 G CA -0.301 44.612 45.100 -0.311 0.000 0.661 480 G HN 0.488 nan 8.290 nan 0.000 0.518 481 G N -1.034 107.295 108.800 -0.784 0.000 2.504 481 G HA2 0.652 4.613 3.960 0.002 0.000 0.288 481 G HA3 0.652 4.613 3.960 0.002 0.000 0.288 481 G C -0.189 174.572 174.900 -0.231 0.000 1.182 481 G CA -0.017 44.484 45.100 -0.998 0.000 0.894 481 G HN 0.905 nan 8.290 nan 0.000 0.521 482 V N 0.640 120.673 119.914 0.199 0.000 2.513 482 V HA 0.385 4.506 4.120 0.002 0.000 0.299 482 V C -1.144 175.280 176.094 0.549 0.000 1.035 482 V CA -0.687 61.820 62.300 0.346 0.000 0.889 482 V CB 1.524 33.486 31.823 0.231 0.000 0.988 482 V HN 0.640 nan 8.190 nan 0.000 0.440 483 Y N 3.573 124.023 120.300 0.251 0.000 2.331 483 Y HA 0.751 5.303 4.550 0.002 0.000 0.334 483 Y C -0.033 175.846 175.900 -0.036 0.000 0.960 483 Y CA -0.853 57.310 58.100 0.104 0.000 1.130 483 Y CB 1.475 39.947 38.460 0.019 0.000 1.164 483 Y HN 0.720 nan 8.280 nan 0.000 0.458 484 A N 5.341 127.896 122.820 -0.441 0.000 2.343 484 A HA 0.807 5.128 4.320 0.002 0.000 0.316 484 A C -1.836 175.468 177.584 -0.467 0.000 1.104 484 A CA -0.669 51.147 52.037 -0.368 0.000 0.768 484 A CB 1.160 20.038 19.000 -0.203 0.000 1.213 484 A HN 0.504 nan 8.150 nan 0.000 0.456 485 V N 1.853 121.567 119.914 -0.334 0.000 2.444 485 V HA 0.668 4.789 4.120 0.002 0.000 0.294 485 V C 0.423 176.556 176.094 0.064 0.000 1.022 485 V CA -0.379 61.845 62.300 -0.127 0.000 0.850 485 V CB 1.350 33.075 31.823 -0.163 0.000 0.992 485 V HN 1.211 nan 8.190 nan 0.000 0.426 486 A N 4.037 126.972 122.820 0.193 0.000 2.301 486 A HA 0.608 4.929 4.320 0.002 0.000 0.312 486 A C 0.140 177.884 177.584 0.267 0.000 1.182 486 A CA -0.624 51.580 52.037 0.277 0.000 0.826 486 A CB 0.380 19.632 19.000 0.420 0.000 1.134 486 A HN 0.764 nan 8.150 nan 0.000 0.501 487 N N 3.061 121.922 118.700 0.269 0.000 3.083 487 N HA 0.242 4.983 4.740 0.002 0.000 0.260 487 N C -0.443 175.332 175.510 0.440 0.000 1.163 487 N CA 0.081 53.312 53.050 0.302 0.000 1.060 487 N CB 0.440 39.069 38.487 0.238 0.000 1.345 487 N HN 0.588 nan 8.380 nan 0.000 0.515 488 L N 0.755 122.173 121.223 0.325 0.000 2.476 488 L HA 0.245 4.587 4.340 0.002 0.000 0.264 488 L C 1.456 178.377 176.870 0.086 0.000 1.224 488 L CA -0.387 54.574 54.840 0.202 0.000 0.821 488 L CB 0.561 42.657 42.059 0.062 0.000 1.101 488 L HN 0.151 nan 8.230 nan 0.000 0.488 489 R N 0.171 120.419 120.500 -0.420 0.000 2.827 489 R HA 0.216 4.558 4.340 0.002 0.000 0.269 489 R C 1.055 177.107 176.300 -0.414 0.000 1.048 489 R CA 0.911 56.412 56.100 -0.999 0.000 1.173 489 R CB 0.119 29.791 30.300 -1.046 0.000 1.070 489 R HN 0.938 nan 8.270 nan 0.000 0.498 490 G N 0.001 108.619 108.800 -0.303 0.000 2.234 490 G HA2 -0.230 3.731 3.960 0.002 0.000 0.235 490 G HA3 -0.230 3.731 3.960 0.002 0.000 0.235 490 G C 0.451 175.443 174.900 0.154 0.000 0.997 490 G CA -0.159 44.926 45.100 -0.025 0.000 0.623 490 G HN 0.886 nan 8.290 nan 0.000 0.514 491 G N -0.599 108.335 108.800 0.224 0.000 2.543 491 G HA2 0.585 4.547 3.960 0.002 0.000 0.290 491 G HA3 0.585 4.547 3.960 0.002 0.000 0.290 491 G C 0.938 176.036 174.900 0.329 0.000 1.310 491 G CA 0.137 45.417 45.100 0.302 0.000 1.025 491 G HN 1.285 nan 8.290 nan 0.000 0.502 492 G N -1.280 107.623 108.800 0.173 0.000 3.609 492 G HA2 0.315 4.276 3.960 0.002 0.000 0.280 492 G HA3 0.315 4.276 3.960 0.002 0.000 0.280 492 G C 0.702 175.592 174.900 -0.016 0.000 1.155 492 G CA -0.038 45.114 45.100 0.087 0.000 0.876 492 G HN 0.504 nan 8.290 nan 0.000 0.535 493 E N -0.454 119.695 120.200 -0.085 0.000 2.347 493 E HA 0.081 4.432 4.350 0.002 0.000 0.196 493 E C 0.329 176.339 176.600 -0.984 0.000 1.008 493 E CA 0.845 56.943 56.400 -0.503 0.000 0.852 493 E CB 0.095 29.448 29.700 -0.579 0.000 0.783 493 E HN 0.663 nan 8.360 nan 0.000 0.505 494 Y N -1.589 118.537 120.300 -0.291 0.000 2.443 494 Y HA 0.592 5.144 4.550 0.002 0.000 0.140 494 Y C 1.260 177.135 175.900 -0.042 0.000 1.476 494 Y CA -0.347 57.608 58.100 -0.240 0.000 1.595 494 Y CB -0.262 37.940 38.460 -0.430 0.000 1.111 494 Y HN -0.094 nan 8.280 nan 0.000 0.340 495 G N -0.817 108.124 108.800 0.234 0.000 2.971 495 G HA2 0.251 4.213 3.960 0.002 0.000 0.235 495 G HA3 0.251 4.213 3.960 0.002 0.000 0.235 495 G C 0.129 175.173 174.900 0.240 0.000 1.351 495 G CA -0.366 44.842 45.100 0.180 0.000 1.039 495 G HN 0.353 nan 8.290 nan 0.000 0.563 496 Q N -1.202 118.711 119.800 0.188 0.000 2.119 496 Q HA -0.081 4.260 4.340 0.002 0.000 0.201 496 Q C 2.694 178.809 176.000 0.190 0.000 0.972 496 Q CA 1.662 57.588 55.803 0.205 0.000 0.847 496 Q CB -0.282 28.540 28.738 0.140 0.000 0.903 496 Q HN 0.547 nan 8.270 nan 0.000 0.433 497 A N 0.802 123.720 122.820 0.163 0.000 1.908 497 A HA -0.215 4.106 4.320 0.002 0.000 0.218 497 A C 1.787 179.478 177.584 0.179 0.000 1.181 497 A CA 1.221 53.333 52.037 0.124 0.000 0.627 497 A CB -1.333 17.729 19.000 0.104 0.000 0.818 497 A HN 0.791 nan 8.150 nan 0.000 0.445 498 W N 0.200 121.545 121.300 0.074 0.000 2.358 498 W HA -0.204 4.457 4.660 0.002 0.000 0.303 498 W C 2.124 178.717 176.519 0.124 0.000 1.208 498 W CA 1.883 59.286 57.345 0.096 0.000 1.274 498 W CB -0.575 29.006 29.460 0.202 0.000 1.138 498 W HN 0.742 nan 8.180 nan 0.000 0.515 499 H N 0.238 119.445 119.070 0.228 0.000 2.270 499 H HA -0.183 4.374 4.556 0.002 0.000 0.299 499 H C 2.491 177.792 175.328 -0.045 0.000 1.077 499 H CA 2.063 58.164 56.048 0.088 0.000 1.294 499 H CB -0.498 29.343 29.762 0.132 0.000 1.371 499 H HN 0.051 nan 8.280 nan 0.000 0.491 500 L N 0.710 121.823 121.223 -0.182 0.000 2.127 500 L HA -0.158 4.184 4.340 0.002 0.000 0.211 500 L C 2.879 179.595 176.870 -0.257 0.000 1.089 500 L CA 0.815 55.468 54.840 -0.313 0.000 0.757 500 L CB -0.522 41.428 42.059 -0.182 0.000 0.899 500 L HN 0.399 nan 8.230 nan 0.000 0.434 501 A N -0.081 122.617 122.820 -0.202 0.000 2.248 501 A HA 0.025 4.346 4.320 0.002 0.000 0.210 501 A C 1.815 179.216 177.584 -0.305 0.000 1.174 501 A CA 1.299 53.191 52.037 -0.242 0.000 0.750 501 A CB -0.596 18.251 19.000 -0.255 0.000 0.780 501 A HN 0.454 nan 8.150 nan 0.000 0.478 502 G N -0.565 108.050 108.800 -0.307 0.000 3.863 502 G HA2 0.391 4.352 3.960 0.002 0.000 0.290 502 G HA3 0.391 4.352 3.960 0.002 0.000 0.290 502 G C 0.329 175.038 174.900 -0.318 0.000 1.018 502 G CA 0.627 45.528 45.100 -0.331 0.000 0.824 502 G HN 0.545 nan 8.290 nan 0.000 0.507 503 T N -3.446 110.909 114.554 -0.332 0.000 2.942 503 T HA 0.560 4.912 4.350 0.002 0.000 0.289 503 T C 0.668 175.180 174.700 -0.313 0.000 1.044 503 T CA -0.232 61.659 62.100 -0.348 0.000 1.023 503 T CB 2.389 70.961 68.868 -0.493 0.000 1.123 503 T HN 0.234 nan 8.240 nan 0.000 0.512 504 Q N 0.544 120.199 119.800 -0.242 0.000 2.341 504 Q HA -0.370 3.972 4.340 0.002 0.000 0.431 504 Q C 1.228 176.990 176.000 -0.395 0.000 0.591 504 Q CA 2.254 57.926 55.803 -0.218 0.000 0.966 504 Q CB -1.253 27.321 28.738 -0.273 0.000 2.454 504 Q HN 0.905 nan 8.270 nan 0.000 0.956 505 Q N 0.968 120.409 119.800 -0.599 0.000 2.329 505 Q HA 0.075 4.416 4.340 0.002 0.000 0.208 505 Q C 0.314 175.812 176.000 -0.836 0.000 0.934 505 Q CA 0.289 55.378 55.803 -1.190 0.000 0.951 505 Q CB 0.007 28.263 28.738 -0.804 0.000 1.017 505 Q HN 0.338 nan 8.270 nan 0.000 0.490 506 N N -0.770 117.656 118.700 -0.457 0.000 2.170 506 N HA 0.000 4.742 4.740 0.002 0.000 0.222 506 N C 0.953 176.323 175.510 -0.232 0.000 1.218 506 N CA -0.119 52.779 53.050 -0.254 0.000 0.889 506 N CB 0.487 38.821 38.487 -0.255 0.000 1.083 506 N HN -0.088 nan 8.380 nan 0.000 0.520 507 K N 1.551 121.824 120.400 -0.213 0.000 2.160 507 K HA -0.184 4.137 4.320 0.002 0.000 0.206 507 K C 2.020 178.157 176.600 -0.773 0.000 1.047 507 K CA 1.391 57.412 56.287 -0.444 0.000 0.930 507 K CB -0.053 32.215 32.500 -0.387 0.000 0.720 507 K HN 0.029 nan 8.250 nan 0.000 0.450 508 Q N 0.780 120.357 119.800 -0.371 0.000 2.197 508 Q HA -0.140 4.202 4.340 0.002 0.000 0.207 508 Q C 1.361 177.166 176.000 -0.326 0.000 0.984 508 Q CA 1.777 57.381 55.803 -0.332 0.000 0.869 508 Q CB -0.399 28.319 28.738 -0.033 0.000 0.906 508 Q HN 0.397 nan 8.270 nan 0.000 0.426 509 N N -0.785 117.739 118.700 -0.293 0.000 2.149 509 N HA -0.136 4.605 4.740 0.002 0.000 0.188 509 N C 1.615 176.954 175.510 -0.286 0.000 1.019 509 N CA 1.525 54.429 53.050 -0.243 0.000 0.857 509 N CB -0.321 38.010 38.487 -0.260 0.000 0.997 509 N HN 0.177 nan 8.380 nan 0.000 0.426 510 V N 0.989 120.619 119.914 -0.473 0.000 2.295 510 V HA -0.200 3.922 4.120 0.002 0.000 0.246 510 V C 1.914 177.897 176.094 -0.184 0.000 1.049 510 V CA 1.380 63.432 62.300 -0.412 0.000 1.024 510 V CB -0.712 30.756 31.823 -0.591 0.000 0.648 510 V HN 0.078 nan 8.190 nan 0.000 0.447 511 F N 0.656 120.533 119.950 -0.122 0.000 2.186 511 F HA -0.087 4.442 4.527 0.002 0.000 0.299 511 F C 2.294 178.118 175.800 0.039 0.000 1.090 511 F CA 0.869 58.840 58.000 -0.048 0.000 1.307 511 F CB -1.221 37.714 39.000 -0.109 0.000 1.019 511 F HN 0.219 nan 8.300 nan 0.000 0.489 512 D N 0.257 120.742 120.400 0.142 0.000 2.144 512 D HA -0.141 4.500 4.640 0.002 0.000 0.200 512 D C 1.795 178.184 176.300 0.148 0.000 0.978 512 D CA 1.302 55.371 54.000 0.115 0.000 0.833 512 D CB -0.437 40.393 40.800 0.049 0.000 0.961 512 D HN 0.190 nan 8.370 nan 0.000 0.470 513 D N -0.199 120.279 120.400 0.131 0.000 2.117 513 D HA -0.145 4.497 4.640 0.002 0.000 0.197 513 D C 1.792 178.316 176.300 0.372 0.000 0.987 513 D CA 0.458 54.595 54.000 0.229 0.000 0.829 513 D CB -0.371 40.501 40.800 0.120 0.000 0.961 513 D HN 0.138 nan 8.370 nan 0.000 0.460 514 F N 1.048 121.068 119.950 0.116 0.000 2.146 514 F HA -0.015 4.513 4.527 0.002 0.000 0.298 514 F C 2.215 178.035 175.800 0.033 0.000 1.096 514 F CA 0.577 58.624 58.000 0.079 0.000 1.275 514 F CB -0.406 38.635 39.000 0.068 0.000 1.008 514 F HN -0.117 nan 8.300 nan 0.000 0.480 515 I N -0.254 120.406 120.570 0.150 0.000 2.226 515 I HA -0.316 3.855 4.170 0.002 0.000 0.245 515 I C 2.558 178.652 176.117 -0.038 0.000 1.100 515 I CA 1.265 62.573 61.300 0.014 0.000 1.374 515 I CB -0.763 37.279 38.000 0.071 0.000 1.057 515 I HN 0.140 nan 8.210 nan 0.000 0.413 516 A N 0.502 123.341 122.820 0.033 0.000 2.015 516 A HA -0.100 4.222 4.320 0.002 0.000 0.219 516 A C 2.499 179.885 177.584 -0.330 0.000 1.163 516 A CA 1.639 53.681 52.037 0.009 0.000 0.646 516 A CB -0.642 18.501 19.000 0.239 0.000 0.806 516 A HN 0.434 nan 8.150 nan 0.000 0.448 517 A N -0.086 122.412 122.820 -0.536 0.000 1.898 517 A HA 0.229 4.550 4.320 0.002 0.000 0.216 517 A C 2.487 179.823 177.584 -0.413 0.000 1.181 517 A CA 1.795 53.310 52.037 -0.870 0.000 0.620 517 A CB -0.948 17.744 19.000 -0.514 0.000 0.819 517 A HN 0.977 nan 8.150 nan 0.000 0.442 518 A N -0.136 122.475 122.820 -0.348 0.000 1.902 518 A HA -0.157 4.164 4.320 0.002 0.000 0.217 518 A C 1.927 179.434 177.584 -0.129 0.000 1.181 518 A CA 1.667 53.555 52.037 -0.248 0.000 0.623 518 A CB -0.433 18.410 19.000 -0.262 0.000 0.818 518 A HN 0.485 nan 8.150 nan 0.000 0.443 519 E N -1.239 118.901 120.200 -0.099 0.000 2.110 519 E HA -0.200 4.151 4.350 0.002 0.000 0.193 519 E C 1.819 178.419 176.600 0.001 0.000 0.988 519 E CA 1.409 57.789 56.400 -0.034 0.000 0.804 519 E CB -0.508 29.190 29.700 -0.003 0.000 0.745 519 E HN 0.820 nan 8.360 nan 0.000 0.458 520 Y N 1.577 121.789 120.300 -0.146 0.000 2.181 520 Y HA -0.169 4.382 4.550 0.002 0.000 0.288 520 Y C 2.242 178.137 175.900 -0.007 0.000 1.146 520 Y CA 1.330 59.379 58.100 -0.085 0.000 1.164 520 Y CB -0.330 38.014 38.460 -0.193 0.000 0.982 520 Y HN -0.078 nan 8.280 nan 0.000 0.515 521 L N -0.013 121.228 121.223 0.030 0.000 2.131 521 L HA -0.244 4.097 4.340 0.002 0.000 0.210 521 L C 2.325 179.218 176.870 0.039 0.000 1.092 521 L CA 1.688 56.564 54.840 0.061 0.000 0.759 521 L CB -0.439 41.626 42.059 0.009 0.000 0.903 521 L HN 0.195 nan 8.230 nan 0.000 0.435 522 K N -0.140 120.247 120.400 -0.022 0.000 2.021 522 K HA -0.024 4.298 4.320 0.002 0.000 0.205 522 K C 2.304 178.861 176.600 -0.071 0.000 1.047 522 K CA 1.101 57.368 56.287 -0.033 0.000 0.943 522 K CB -0.298 32.183 32.500 -0.031 0.000 0.725 522 K HN 0.204 nan 8.250 nan 0.000 0.439 523 A N 1.956 124.721 122.820 -0.091 0.000 1.948 523 A HA -0.195 4.126 4.320 0.002 0.000 0.220 523 A C 1.736 179.216 177.584 -0.173 0.000 1.177 523 A CA 1.599 53.571 52.037 -0.109 0.000 0.636 523 A CB -0.307 18.643 19.000 -0.084 0.000 0.815 523 A HN 0.189 nan 8.150 nan 0.000 0.449 524 E N -1.302 118.736 120.200 -0.271 0.000 2.511 524 E HA 0.152 4.504 4.350 0.002 0.000 0.196 524 E C 1.297 177.688 176.600 -0.348 0.000 1.066 524 E CA 0.700 56.904 56.400 -0.326 0.000 0.871 524 E CB -0.291 29.149 29.700 -0.432 0.000 0.863 524 E HN 0.845 nan 8.360 nan 0.000 0.520 525 G N 0.705 109.363 108.800 -0.236 0.000 2.159 525 G HA2 -0.350 3.611 3.960 0.002 0.000 0.256 525 G HA3 -0.350 3.611 3.960 0.002 0.000 0.256 525 G C 0.746 175.495 174.900 -0.252 0.000 0.977 525 G CA 0.495 45.453 45.100 -0.236 0.000 0.652 525 G HN 0.316 nan 8.290 nan 0.000 0.531 526 Y N 0.225 120.454 120.300 -0.119 0.000 2.263 526 Y HA 0.341 4.893 4.550 0.002 0.000 0.292 526 Y C 2.125 177.981 175.900 -0.074 0.000 1.130 526 Y CA 2.068 60.102 58.100 -0.111 0.000 1.179 526 Y CB 0.087 38.498 38.460 -0.082 0.000 0.998 526 Y HN 0.416 nan 8.280 nan 0.000 0.532 527 T N -1.114 113.498 114.554 0.097 0.000 2.645 527 T HA 0.619 4.971 4.350 0.002 0.000 0.300 527 T C -1.596 173.117 174.700 0.021 0.000 1.210 527 T CA -0.965 61.171 62.100 0.061 0.000 1.034 527 T CB 1.356 70.276 68.868 0.087 0.000 1.537 527 T HN 0.181 nan 8.240 nan 0.000 0.492 528 R N -0.558 119.953 120.500 0.019 0.000 2.795 528 R HA 0.553 4.894 4.340 0.002 0.000 0.268 528 R C 0.606 176.908 176.300 0.003 0.000 1.041 528 R CA -0.545 55.555 56.100 -0.000 0.000 0.927 528 R CB 0.081 30.374 30.300 -0.010 0.000 1.235 528 R HN 0.515 nan 8.270 nan 0.000 0.463 529 T N 0.701 115.251 114.554 -0.006 0.000 2.624 529 T HA -0.245 4.106 4.350 0.002 0.000 0.268 529 T C 0.941 175.639 174.700 -0.003 0.000 1.041 529 T CA 2.499 64.595 62.100 -0.006 0.000 1.159 529 T CB -0.626 68.237 68.868 -0.008 0.000 0.863 529 T HN 0.829 nan 8.240 nan 0.000 0.434 530 D N 0.201 120.597 120.400 -0.007 0.000 2.363 530 D HA -0.042 4.600 4.640 0.002 0.000 0.226 530 D C 1.596 177.898 176.300 0.005 0.000 1.020 530 D CA 0.310 54.301 54.000 -0.016 0.000 0.892 530 D CB -0.043 40.738 40.800 -0.031 0.000 0.900 530 D HN 0.151 nan 8.370 nan 0.000 0.531 531 R N -0.370 120.151 120.500 0.035 0.000 2.543 531 R HA 0.306 4.647 4.340 0.002 0.000 0.323 531 R C -0.490 175.887 176.300 0.127 0.000 1.002 531 R CA -0.500 55.658 56.100 0.097 0.000 1.106 531 R CB 0.406 30.761 30.300 0.092 0.000 1.280 531 R HN 0.226 nan 8.270 nan 0.000 0.549 532 L N 0.682 121.953 121.223 0.080 0.000 2.329 532 L HA 0.698 5.039 4.340 0.002 0.000 0.279 532 L C -0.959 175.952 176.870 0.068 0.000 1.014 532 L CA -0.685 54.198 54.840 0.072 0.000 0.814 532 L CB 1.748 43.817 42.059 0.017 0.000 1.257 532 L HN 0.062 nan 8.230 nan 0.000 0.424 533 A N 5.978 128.848 122.820 0.083 0.000 2.386 533 A HA 0.816 5.138 4.320 0.002 0.000 0.311 533 A C -0.849 176.771 177.584 0.059 0.000 1.068 533 A CA -0.626 51.459 52.037 0.079 0.000 0.743 533 A CB 1.083 20.141 19.000 0.098 0.000 1.258 533 A HN 0.831 nan 8.150 nan 0.000 0.429 534 I N -0.865 119.755 120.570 0.084 0.000 2.603 534 I HA 0.917 5.089 4.170 0.002 0.000 0.300 534 I C -0.369 175.860 176.117 0.187 0.000 1.017 534 I CA -0.928 60.448 61.300 0.127 0.000 1.098 534 I CB 1.976 40.062 38.000 0.144 0.000 1.279 534 I HN 0.760 nan 8.210 nan 0.000 0.437 535 R N 2.811 123.458 120.500 0.246 0.000 2.707 535 R HA 0.818 5.159 4.340 0.002 0.000 0.272 535 R C -1.265 175.084 176.300 0.081 0.000 1.011 535 R CA -0.615 55.611 56.100 0.211 0.000 0.893 535 R CB 2.530 33.005 30.300 0.292 0.000 1.233 535 R HN 1.145 nan 8.270 nan 0.000 0.464 536 G N 0.147 108.953 108.800 0.010 0.000 2.519 536 G HA2 0.475 4.436 3.960 0.002 0.000 0.292 536 G HA3 0.475 4.436 3.960 0.002 0.000 0.292 536 G C -1.631 173.251 174.900 -0.030 0.000 1.507 536 G CA -0.335 44.638 45.100 -0.213 0.000 0.806 536 G HN 0.712 nan 8.290 nan 0.000 0.523 537 G N -0.589 108.226 108.800 0.024 0.000 2.542 537 G HA2 0.713 4.674 3.960 0.002 0.000 0.311 537 G HA3 0.713 4.674 3.960 0.002 0.000 0.311 537 G C 0.436 175.348 174.900 0.020 0.000 1.298 537 G CA 0.945 46.076 45.100 0.052 0.000 0.973 537 G HN 1.764 nan 8.290 nan 0.000 0.487 538 S N 0.785 116.446 115.700 -0.064 0.000 4.155 538 S HA -0.369 4.102 4.470 0.002 0.000 0.576 538 S C 1.984 176.412 174.600 -0.286 0.000 1.870 538 S CA 1.168 59.272 58.200 -0.161 0.000 4.248 538 S CB -1.345 61.794 63.200 -0.102 0.000 0.215 538 S HN 0.909 nan 8.310 nan 0.000 0.460 539 N N 2.440 120.902 118.700 -0.396 0.000 2.309 539 N HA -0.092 4.650 4.740 0.002 0.000 0.182 539 N C 1.717 176.920 175.510 -0.513 0.000 1.018 539 N CA 1.540 54.302 53.050 -0.480 0.000 0.876 539 N CB -0.644 37.394 38.487 -0.748 0.000 0.972 539 N HN 0.629 nan 8.380 nan 0.000 0.434 540 G N -0.129 108.384 108.800 -0.478 0.000 2.448 540 G HA2 -0.088 3.873 3.960 0.002 0.000 0.218 540 G HA3 -0.088 3.873 3.960 0.002 0.000 0.218 540 G C 1.446 176.182 174.900 -0.274 0.000 1.135 540 G CA 0.754 45.643 45.100 -0.352 0.000 0.784 540 G HN 0.420 nan 8.290 nan 0.000 0.543 541 G N 0.918 109.587 108.800 -0.218 0.000 2.403 541 G HA2 -0.070 3.891 3.960 0.002 0.000 0.216 541 G HA3 -0.070 3.891 3.960 0.002 0.000 0.216 541 G C 1.705 176.445 174.900 -0.266 0.000 1.154 541 G CA 0.955 45.937 45.100 -0.196 0.000 0.784 541 G HN 0.410 nan 8.290 nan 0.000 0.538 542 L N 0.490 121.538 121.223 -0.291 0.000 2.046 542 L HA 0.037 4.379 4.340 0.002 0.000 0.208 542 L C 2.485 179.173 176.870 -0.302 0.000 1.077 542 L CA 1.728 56.387 54.840 -0.302 0.000 0.747 542 L CB -0.729 41.179 42.059 -0.251 0.000 0.896 542 L HN 0.177 nan 8.230 nan 0.000 0.432 543 L N -0.838 120.236 121.223 -0.247 0.000 1.990 543 L HA -0.197 4.145 4.340 0.002 0.000 0.213 543 L C 2.395 179.109 176.870 -0.260 0.000 1.072 543 L CA 2.249 56.945 54.840 -0.239 0.000 0.755 543 L CB -0.932 40.894 42.059 -0.389 0.000 0.889 543 L HN 0.144 nan 8.230 nan 0.000 0.432 544 V N 0.222 120.021 119.914 -0.193 0.000 2.295 544 V HA -0.219 3.902 4.120 0.002 0.000 0.246 544 V C 2.640 178.676 176.094 -0.096 0.000 1.049 544 V CA 1.854 64.121 62.300 -0.055 0.000 1.024 544 V CB -1.652 30.165 31.823 -0.010 0.000 0.648 544 V HN 0.667 nan 8.190 nan 0.000 0.447 545 G N -0.567 108.092 108.800 -0.235 0.000 2.442 545 G HA2 -0.212 3.749 3.960 0.002 0.000 0.219 545 G HA3 -0.212 3.749 3.960 0.002 0.000 0.219 545 G C 1.740 176.497 174.900 -0.239 0.000 1.141 545 G CA 1.123 46.029 45.100 -0.324 0.000 0.763 545 G HN 0.616 nan 8.290 nan 0.000 0.554 546 A N 0.018 122.591 122.820 -0.411 0.000 1.872 546 A HA 0.148 4.469 4.320 0.002 0.000 0.214 546 A C 2.592 179.953 177.584 -0.372 0.000 1.187 546 A CA 1.701 53.397 52.037 -0.569 0.000 0.614 546 A CB -0.594 17.497 19.000 -1.514 0.000 0.826 546 A HN 0.236 nan 8.150 nan 0.000 0.442 547 V N 1.076 120.826 119.914 -0.273 0.000 2.358 547 V HA -0.302 3.820 4.120 0.002 0.000 0.246 547 V C 2.754 178.867 176.094 0.031 0.000 1.047 547 V CA 2.198 64.468 62.300 -0.050 0.000 1.035 547 V CB -0.880 31.016 31.823 0.121 0.000 0.658 547 V HN 0.827 nan 8.190 nan 0.000 0.452 548 M N 0.826 120.468 119.600 0.070 0.000 2.374 548 M HA -0.089 4.392 4.480 0.002 0.000 0.264 548 M C 1.843 178.288 176.300 0.242 0.000 1.067 548 M CA 2.175 57.573 55.300 0.163 0.000 1.103 548 M CB -0.894 31.831 32.600 0.209 0.000 1.402 548 M HN 0.426 nan 8.290 nan 0.000 0.444 549 T N -2.243 112.422 114.554 0.184 0.000 3.044 549 T HA 0.107 4.459 4.350 0.002 0.000 0.255 549 T C 1.743 176.531 174.700 0.146 0.000 1.073 549 T CA 0.579 62.828 62.100 0.248 0.000 1.125 549 T CB -0.132 68.849 68.868 0.187 0.000 0.908 549 T HN 0.575 nan 8.240 nan 0.000 0.480 550 Q N 0.338 120.177 119.800 0.065 0.000 2.204 550 Q HA 0.206 4.548 4.340 0.002 0.000 0.198 550 Q C 0.687 176.711 176.000 0.039 0.000 0.946 550 Q CA 0.522 56.349 55.803 0.040 0.000 0.859 550 Q CB 0.420 29.166 28.738 0.014 0.000 0.946 550 Q HN 0.167 nan 8.270 nan 0.000 0.474 551 R N 0.737 121.264 120.500 0.045 0.000 2.681 551 R HA 0.186 4.528 4.340 0.002 0.000 0.277 551 R C -2.231 174.093 176.300 0.039 0.000 1.563 551 R CA -1.480 54.639 56.100 0.031 0.000 1.673 551 R CB 0.781 31.097 30.300 0.026 0.000 1.258 551 R HN 0.128 nan 8.270 nan 0.000 0.650 552 P HA -0.139 nan 4.420 nan 0.000 0.225 552 P C 0.419 177.729 177.300 0.017 0.000 1.148 552 P CA 1.134 64.257 63.100 0.040 0.000 0.779 552 P CB 0.346 31.979 31.700 -0.112 0.000 0.780 553 D N -0.889 119.509 120.400 -0.003 0.000 2.350 553 D HA -0.039 4.602 4.640 0.002 0.000 0.213 553 D C 1.794 178.097 176.300 0.004 0.000 1.031 553 D CA -0.093 53.908 54.000 0.001 0.000 0.861 553 D CB -0.646 40.147 40.800 -0.012 0.000 0.926 553 D HN 0.100 nan 8.370 nan 0.000 0.520 554 L N 0.689 121.915 121.223 0.005 0.000 2.156 554 L HA 0.074 4.415 4.340 0.002 0.000 0.208 554 L C 0.690 177.552 176.870 -0.014 0.000 1.095 554 L CA 0.952 55.787 54.840 -0.008 0.000 0.770 554 L CB -0.187 41.863 42.059 -0.014 0.000 0.914 554 L HN 0.128 nan 8.230 nan 0.000 0.439 555 M N -2.643 116.958 119.600 0.001 0.000 2.619 555 M HA 0.366 4.847 4.480 0.002 0.000 0.297 555 M C 0.424 176.723 176.300 -0.003 0.000 1.229 555 M CA -0.660 54.640 55.300 0.000 0.000 0.860 555 M CB 1.439 34.043 32.600 0.008 0.000 1.741 555 M HN -0.208 nan 8.290 nan 0.000 0.462 556 R N 0.978 121.468 120.500 -0.017 0.000 2.140 556 R HA 0.445 4.787 4.340 0.002 0.000 0.213 556 R C -0.530 175.714 176.300 -0.093 0.000 1.059 556 R CA 1.034 57.085 56.100 -0.082 0.000 1.000 556 R CB 0.188 30.447 30.300 -0.068 0.000 0.910 556 R HN 0.585 nan 8.270 nan 0.000 0.455 557 V N 0.280 120.195 119.914 0.001 0.000 2.709 557 V HA 0.757 4.878 4.120 0.002 0.000 0.308 557 V C -1.066 175.101 176.094 0.121 0.000 1.062 557 V CA -0.841 61.496 62.300 0.063 0.000 0.901 557 V CB 1.729 33.603 31.823 0.084 0.000 1.003 557 V HN 0.218 nan 8.190 nan 0.000 0.425 558 A N 4.931 127.854 122.820 0.172 0.000 2.343 558 A HA 0.920 5.241 4.320 0.002 0.000 0.316 558 A C -0.976 176.716 177.584 0.181 0.000 1.104 558 A CA -0.448 51.690 52.037 0.167 0.000 0.768 558 A CB 1.074 20.175 19.000 0.169 0.000 1.213 558 A HN 0.822 nan 8.150 nan 0.000 0.456 559 L N 4.388 125.701 121.223 0.150 0.000 2.495 559 L HA 0.331 4.672 4.340 0.002 0.000 0.248 559 L C -2.429 174.492 176.870 0.085 0.000 1.229 559 L CA -1.436 53.477 54.840 0.122 0.000 0.942 559 L CB 1.684 43.819 42.059 0.126 0.000 1.242 559 L HN 0.477 nan 8.230 nan 0.000 0.484 560 P HA 0.259 nan 4.420 nan 0.000 0.287 560 P C -0.633 176.673 177.300 0.010 0.000 1.307 560 P CA -0.055 63.054 63.100 0.015 0.000 0.777 560 P CB 1.800 33.498 31.700 -0.003 0.000 0.883 561 A N 3.981 126.803 122.820 0.004 0.000 2.292 561 A HA 0.442 4.763 4.320 0.002 0.000 0.319 561 A C 0.664 178.241 177.584 -0.012 0.000 1.206 561 A CA -0.720 51.324 52.037 0.011 0.000 0.835 561 A CB 0.445 19.470 19.000 0.041 0.000 1.164 561 A HN 0.349 nan 8.150 nan 0.000 0.505 562 V N 1.788 121.697 119.914 -0.009 0.000 5.359 562 V HA -0.249 3.872 4.120 0.002 0.000 0.278 562 V C 1.167 177.219 176.094 -0.070 0.000 0.622 562 V CA 1.020 63.307 62.300 -0.021 0.000 0.649 562 V CB -2.212 29.611 31.823 -0.000 0.000 0.408 562 V HN 1.386 nan 8.190 nan 0.000 0.918 563 G N -0.340 108.398 108.800 -0.105 0.000 2.507 563 G HA2 0.510 4.472 3.960 0.002 0.000 0.271 563 G HA3 0.510 4.472 3.960 0.002 0.000 0.271 563 G C -0.362 174.354 174.900 -0.306 0.000 1.189 563 G CA -0.459 44.520 45.100 -0.203 0.000 0.859 563 G HN 0.536 nan 8.290 nan 0.000 0.542 564 V N 2.149 121.808 119.914 -0.426 0.000 2.334 564 V HA 0.216 4.337 4.120 0.002 0.000 0.267 564 V C 0.699 176.519 176.094 -0.457 0.000 1.040 564 V CA -0.061 61.833 62.300 -0.677 0.000 0.866 564 V CB 0.747 32.279 31.823 -0.485 0.000 1.019 564 V HN 0.670 nan 8.190 nan 0.000 0.468 565 L N 2.002 123.049 121.223 -0.294 0.000 2.717 565 L HA 0.390 4.731 4.340 0.002 0.000 0.239 565 L C 0.705 177.608 176.870 0.055 0.000 1.086 565 L CA 0.193 54.917 54.840 -0.192 0.000 0.897 565 L CB 0.491 42.323 42.059 -0.379 0.000 1.214 565 L HN 0.522 nan 8.230 nan 0.000 0.508 566 D N 0.908 121.565 120.400 0.428 0.000 2.467 566 D HA 0.158 4.799 4.640 0.002 0.000 0.220 566 D C 0.888 177.462 176.300 0.456 0.000 1.103 566 D CA -0.181 54.060 54.000 0.402 0.000 0.886 566 D CB 1.045 42.100 40.800 0.425 0.000 1.025 566 D HN -0.062 nan 8.370 nan 0.000 0.514 567 M N 3.126 122.888 119.600 0.270 0.000 2.595 567 M HA -0.012 4.469 4.480 0.002 0.000 0.248 567 M C 1.126 177.601 176.300 0.292 0.000 1.119 567 M CA 0.175 55.614 55.300 0.231 0.000 1.079 567 M CB -0.168 32.353 32.600 -0.131 0.000 1.472 567 M HN 0.343 nan 8.290 nan 0.000 0.501 568 L N -0.534 120.814 121.223 0.209 0.000 2.307 568 L HA 0.038 4.380 4.340 0.002 0.000 0.211 568 L C 1.785 178.776 176.870 0.201 0.000 1.099 568 L CA 1.359 56.234 54.840 0.059 0.000 0.816 568 L CB -0.226 41.714 42.059 -0.197 0.000 0.952 568 L HN 0.233 nan 8.230 nan 0.000 0.455 569 R N -2.403 118.209 120.500 0.187 0.000 2.549 569 R HA 0.070 4.412 4.340 0.002 0.000 0.344 569 R C 1.674 177.679 176.300 -0.491 0.000 0.979 569 R CA -0.027 55.967 56.100 -0.176 0.000 1.140 569 R CB 0.157 30.324 30.300 -0.220 0.000 1.377 569 R HN 0.306 nan 8.270 nan 0.000 0.541 570 Y N 1.172 121.569 120.300 0.162 0.000 2.165 570 Y HA -0.273 4.278 4.550 0.002 0.000 0.286 570 Y C 2.294 178.301 175.900 0.178 0.000 1.155 570 Y CA 1.757 60.122 58.100 0.441 0.000 1.164 570 Y CB -0.747 38.111 38.460 0.663 0.000 0.978 570 Y HN 0.152 nan 8.280 nan 0.000 0.513 571 H N 0.140 118.543 119.070 -1.113 0.000 2.491 571 H HA -0.038 4.519 4.556 0.002 0.000 0.290 571 H C 1.679 176.768 175.328 -0.398 0.000 1.050 571 H CA 1.592 57.180 56.048 -0.766 0.000 1.309 571 H CB -1.355 27.947 29.762 -0.767 0.000 1.392 571 H HN 0.556 nan 8.280 nan 0.000 0.554 572 T N -2.228 111.692 114.554 -1.058 0.000 3.088 572 T HA 0.066 4.417 4.350 0.002 0.000 0.259 572 T C 0.511 174.949 174.700 -0.437 0.000 1.122 572 T CA -0.330 61.311 62.100 -0.765 0.000 1.095 572 T CB -0.445 67.929 68.868 -0.823 0.000 0.930 572 T HN 0.003 nan 8.240 nan 0.000 0.508 573 F N 2.498 122.351 119.950 -0.162 0.000 2.348 573 F HA 0.461 4.990 4.527 0.002 0.000 0.308 573 F C 1.170 176.913 175.800 -0.095 0.000 1.175 573 F CA -1.617 56.330 58.000 -0.089 0.000 1.080 573 F CB -0.285 38.702 39.000 -0.022 0.000 1.341 573 F HN -0.179 nan 8.300 nan 0.000 0.518 574 T N 1.284 115.942 114.554 0.173 0.000 2.867 574 T HA 0.371 4.723 4.350 0.002 0.000 0.297 574 T C 0.771 175.453 174.700 -0.030 0.000 0.989 574 T CA 0.749 62.877 62.100 0.047 0.000 1.159 574 T CB 0.218 69.113 68.868 0.045 0.000 0.928 574 T HN 0.938 nan 8.240 nan 0.000 0.538 575 A N 2.728 125.481 122.820 -0.112 0.000 3.601 575 A HA -0.190 4.132 4.320 0.002 0.000 0.266 575 A C 2.015 179.211 177.584 -0.648 0.000 1.077 575 A CA 1.565 53.450 52.037 -0.254 0.000 1.228 575 A CB -2.331 16.581 19.000 -0.146 0.000 1.099 575 A HN 1.138 nan 8.150 nan 0.000 0.916 576 G N -0.195 108.288 108.800 -0.529 0.000 2.422 576 G HA2 -0.102 3.859 3.960 0.002 0.000 0.218 576 G HA3 -0.102 3.859 3.960 0.002 0.000 0.218 576 G C 1.712 176.448 174.900 -0.274 0.000 1.146 576 G CA 2.309 47.067 45.100 -0.570 0.000 0.769 576 G HN 1.663 nan 8.290 nan 0.000 0.547 577 T N -0.913 113.543 114.554 -0.163 0.000 2.822 577 T HA -0.047 4.304 4.350 0.002 0.000 0.270 577 T C 2.352 177.069 174.700 0.029 0.000 1.064 577 T CA 1.585 63.674 62.100 -0.018 0.000 1.131 577 T CB -0.592 68.265 68.868 -0.019 0.000 0.858 577 T HN 0.262 nan 8.240 nan 0.000 0.483 578 G N -0.249 108.486 108.800 -0.108 0.000 2.598 578 G HA2 -0.009 3.952 3.960 0.002 0.000 0.215 578 G HA3 -0.009 3.952 3.960 0.002 0.000 0.215 578 G C 0.939 176.038 174.900 0.330 0.000 1.131 578 G CA 0.072 45.202 45.100 0.050 0.000 0.785 578 G HN 0.600 nan 8.290 nan 0.000 0.539 579 W N 0.233 121.728 121.300 0.324 0.000 3.278 579 W HA 0.513 5.175 4.660 0.002 0.000 0.308 579 W C 2.104 178.790 176.519 0.279 0.000 1.253 579 W CA -0.796 56.751 57.345 0.338 0.000 1.759 579 W CB -0.851 28.756 29.460 0.245 0.000 1.093 579 W HN 0.246 nan 8.180 nan 0.000 0.648 580 A N 0.343 123.481 122.820 0.531 0.000 1.948 580 A HA -0.286 4.035 4.320 0.002 0.000 0.220 580 A C 1.809 179.555 177.584 0.269 0.000 1.177 580 A CA 1.698 53.987 52.037 0.420 0.000 0.636 580 A CB -1.226 17.948 19.000 0.291 0.000 0.815 580 A HN 0.304 nan 8.150 nan 0.000 0.449 581 Y N 0.557 120.944 120.300 0.145 0.000 2.181 581 Y HA -0.209 4.342 4.550 0.002 0.000 0.288 581 Y C 1.854 177.716 175.900 -0.064 0.000 1.146 581 Y CA 2.198 60.327 58.100 0.048 0.000 1.164 581 Y CB -0.298 38.199 38.460 0.063 0.000 0.982 581 Y HN 0.412 nan 8.280 nan 0.000 0.515 582 D N -2.019 118.283 120.400 -0.163 0.000 2.183 582 D HA -0.107 4.534 4.640 0.002 0.000 0.205 582 D C 1.311 177.443 176.300 -0.280 0.000 0.962 582 D CA 1.313 55.014 54.000 -0.500 0.000 0.849 582 D CB -0.034 40.015 40.800 -1.251 0.000 0.978 582 D HN 0.344 nan 8.370 nan 0.000 0.488 583 Y N -0.289 119.978 120.300 -0.055 0.000 2.500 583 Y HA 0.377 4.929 4.550 0.002 0.000 0.284 583 Y C 1.499 177.451 175.900 0.086 0.000 1.118 583 Y CA 0.488 58.601 58.100 0.022 0.000 1.241 583 Y CB -0.186 38.283 38.460 0.016 0.000 1.171 583 Y HN -0.070 nan 8.280 nan 0.000 0.540 584 G N 0.314 109.289 108.800 0.291 0.000 2.746 584 G HA2 0.045 4.006 3.960 0.002 0.000 0.685 584 G HA3 0.045 4.006 3.960 0.002 0.000 0.685 584 G C -0.265 174.798 174.900 0.271 0.000 1.350 584 G CA -0.403 44.806 45.100 0.181 0.000 0.837 584 G HN 0.531 nan 8.290 nan 0.000 0.564 585 T N -2.954 111.649 114.554 0.083 0.000 2.916 585 T HA 0.752 5.104 4.350 0.002 0.000 0.292 585 T C 1.617 176.267 174.700 -0.083 0.000 1.055 585 T CA 0.721 62.739 62.100 -0.136 0.000 1.009 585 T CB 1.548 70.061 68.868 -0.592 0.000 1.118 585 T HN 2.106 nan 8.240 nan 0.000 0.497 586 S N 0.371 116.001 115.700 -0.116 0.000 2.537 586 S HA 0.056 4.527 4.470 0.002 0.000 0.240 586 S C 1.886 176.650 174.600 0.273 0.000 0.981 586 S CA 0.369 58.656 58.200 0.145 0.000 0.948 586 S CB -0.685 62.566 63.200 0.086 0.000 0.759 586 S HN 1.051 nan 8.310 nan 0.000 0.531 587 A N 1.279 124.146 122.820 0.079 0.000 2.195 587 A HA 0.178 4.499 4.320 0.002 0.000 0.210 587 A C 1.581 179.298 177.584 0.221 0.000 1.165 587 A CA 0.418 52.543 52.037 0.147 0.000 0.806 587 A CB -0.166 18.866 19.000 0.053 0.000 0.847 587 A HN 0.363 nan 8.150 nan 0.000 0.482 588 D N 0.774 121.268 120.400 0.156 0.000 2.097 588 D HA -0.027 4.615 4.640 0.002 0.000 0.195 588 D C 1.045 177.437 176.300 0.154 0.000 0.989 588 D CA 1.869 55.943 54.000 0.122 0.000 0.827 588 D CB -0.018 40.816 40.800 0.055 0.000 0.966 588 D HN 0.565 nan 8.370 nan 0.000 0.456 589 S N -2.359 113.415 115.700 0.123 0.000 2.645 589 S HA 0.134 4.605 4.470 0.002 0.000 0.268 589 S C 0.420 174.562 174.600 -0.764 0.000 1.110 589 S CA -0.751 57.327 58.200 -0.204 0.000 0.823 589 S CB 1.447 64.567 63.200 -0.134 0.000 1.091 589 S HN -0.028 nan 8.310 nan 0.000 0.466 590 E N 0.564 120.028 120.200 -1.227 0.000 2.110 590 E HA -0.084 4.267 4.350 0.002 0.000 0.193 590 E C 2.085 178.520 176.600 -0.275 0.000 0.988 590 E CA 1.468 57.278 56.400 -0.983 0.000 0.804 590 E CB -0.472 28.856 29.700 -0.621 0.000 0.745 590 E HN 0.733 nan 8.360 nan 0.000 0.458 591 A N 0.707 123.404 122.820 -0.206 0.000 1.877 591 A HA -0.210 4.111 4.320 0.002 0.000 0.216 591 A C 2.104 179.669 177.584 -0.031 0.000 1.186 591 A CA 1.753 53.741 52.037 -0.082 0.000 0.620 591 A CB -0.523 18.430 19.000 -0.078 0.000 0.822 591 A HN 0.364 nan 8.150 nan 0.000 0.443 592 M N -1.383 118.193 119.600 -0.041 0.000 2.132 592 M HA -0.021 4.460 4.480 0.002 0.000 0.263 592 M C 1.800 178.132 176.300 0.054 0.000 1.065 592 M CA 1.616 56.925 55.300 0.014 0.000 1.122 592 M CB -0.718 31.892 32.600 0.017 0.000 1.365 592 M HN 0.494 nan 8.290 nan 0.000 0.411 593 F N 0.730 120.643 119.950 -0.061 0.000 2.102 593 F HA -0.222 4.306 4.527 0.002 0.000 0.298 593 F C 1.770 177.523 175.800 -0.078 0.000 1.105 593 F CA 2.084 60.052 58.000 -0.053 0.000 1.239 593 F CB -0.796 38.247 39.000 0.072 0.000 0.991 593 F HN 0.182 nan 8.300 nan 0.000 0.474 594 D N -0.748 119.454 120.400 -0.329 0.000 2.144 594 D HA -0.237 4.404 4.640 0.002 0.000 0.199 594 D C 2.035 178.161 176.300 -0.289 0.000 0.984 594 D CA 1.573 55.333 54.000 -0.399 0.000 0.834 594 D CB -0.715 40.022 40.800 -0.106 0.000 0.955 594 D HN 0.457 nan 8.370 nan 0.000 0.465 595 Y N 1.160 121.321 120.300 -0.232 0.000 2.163 595 Y HA -0.099 4.452 4.550 0.002 0.000 0.288 595 Y C 2.323 178.093 175.900 -0.216 0.000 1.136 595 Y CA 1.123 59.145 58.100 -0.130 0.000 1.147 595 Y CB -0.241 38.194 38.460 -0.042 0.000 0.987 595 Y HN -0.116 nan 8.280 nan 0.000 0.509 596 L N 0.247 121.372 121.223 -0.163 0.000 2.046 596 L HA -0.258 4.083 4.340 0.002 0.000 0.208 596 L C 2.510 178.986 176.870 -0.657 0.000 1.077 596 L CA 1.934 56.481 54.840 -0.488 0.000 0.747 596 L CB -0.534 41.361 42.059 -0.273 0.000 0.896 596 L HN 0.143 nan 8.230 nan 0.000 0.432 597 K N 0.217 120.236 120.400 -0.635 0.000 2.211 597 K HA -0.116 4.205 4.320 0.002 0.000 0.203 597 K C 2.018 178.393 176.600 -0.375 0.000 1.050 597 K CA 1.121 57.061 56.287 -0.579 0.000 0.945 597 K CB -0.198 31.808 32.500 -0.823 0.000 0.732 597 K HN 0.316 nan 8.250 nan 0.000 0.451 598 G N 0.289 108.867 108.800 -0.370 0.000 2.432 598 G HA2 -0.253 3.709 3.960 0.002 0.000 0.219 598 G HA3 -0.253 3.709 3.960 0.002 0.000 0.219 598 G C 1.190 176.017 174.900 -0.121 0.000 1.135 598 G CA 1.210 46.168 45.100 -0.237 0.000 0.767 598 G HN 0.602 nan 8.290 nan 0.000 0.550 599 Y N -0.975 119.217 120.300 -0.181 0.000 2.432 599 Y HA 0.520 5.071 4.550 0.002 0.000 0.252 599 Y C 1.091 176.928 175.900 -0.105 0.000 1.097 599 Y CA -0.724 57.304 58.100 -0.120 0.000 1.250 599 Y CB -0.379 38.068 38.460 -0.022 0.000 1.245 599 Y HN -0.004 nan 8.280 nan 0.000 0.522 600 S N 3.827 119.329 115.700 -0.330 0.000 2.784 600 S HA 0.006 4.477 4.470 0.002 0.000 0.322 600 S C -1.457 173.139 174.600 -0.007 0.000 1.234 600 S CA -0.598 57.512 58.200 -0.150 0.000 1.064 600 S CB 0.553 63.765 63.200 0.020 0.000 0.787 600 S HN 0.262 nan 8.310 nan 0.000 0.506 601 P HA -0.109 nan 4.420 nan 0.000 0.215 601 P C 1.633 179.009 177.300 0.125 0.000 1.157 601 P CA 0.451 63.521 63.100 -0.049 0.000 0.868 601 P CB 0.043 31.499 31.700 -0.407 0.000 0.788 602 L N -0.559 120.684 121.223 0.034 0.000 2.043 602 L HA -0.193 4.148 4.340 0.002 0.000 0.212 602 L C 1.887 178.635 176.870 -0.203 0.000 1.075 602 L CA 2.066 56.898 54.840 -0.014 0.000 0.752 602 L CB -1.438 40.481 42.059 -0.235 0.000 0.891 602 L HN 0.168 nan 8.230 nan 0.000 0.432 603 H N -1.048 118.068 119.070 0.077 0.000 2.539 603 H HA 0.201 4.759 4.556 0.002 0.000 0.267 603 H C 0.683 176.031 175.328 0.034 0.000 0.982 603 H CA 0.399 56.471 56.048 0.041 0.000 1.146 603 H CB -0.008 29.748 29.762 -0.011 0.000 1.382 603 H HN 0.504 nan 8.280 nan 0.000 0.577 604 N N 0.691 119.457 118.700 0.111 0.000 2.200 604 N HA 0.059 4.801 4.740 0.002 0.000 0.224 604 N C -0.145 175.441 175.510 0.127 0.000 1.179 604 N CA 0.073 53.185 53.050 0.104 0.000 0.877 604 N CB 1.886 40.422 38.487 0.083 0.000 1.072 604 N HN -0.047 nan 8.380 nan 0.000 0.519 605 V N 1.796 121.765 119.914 0.091 0.000 2.555 605 V HA 0.237 4.358 4.120 0.002 0.000 0.286 605 V C 0.511 176.680 176.094 0.125 0.000 1.044 605 V CA 0.020 62.348 62.300 0.047 0.000 1.026 605 V CB 1.017 32.738 31.823 -0.170 0.000 0.981 605 V HN 0.052 nan 8.190 nan 0.000 0.480 606 R N 4.487 125.136 120.500 0.249 0.000 2.686 606 R HA 0.467 4.809 4.340 0.002 0.000 0.286 606 R C -2.822 173.584 176.300 0.177 0.000 0.969 606 R CA -1.953 54.250 56.100 0.172 0.000 0.898 606 R CB 2.264 32.643 30.300 0.130 0.000 1.183 606 R HN 0.417 nan 8.270 nan 0.000 0.456 607 P HA 0.072 nan 4.420 nan 0.000 0.271 607 P C 0.454 177.795 177.300 0.070 0.000 1.216 607 P CA 0.631 63.788 63.100 0.095 0.000 0.771 607 P CB 0.866 32.608 31.700 0.071 0.000 0.864 608 G N 0.967 109.803 108.800 0.061 0.000 2.195 608 G HA2 -0.210 3.751 3.960 0.002 0.000 0.246 608 G HA3 -0.210 3.751 3.960 0.002 0.000 0.246 608 G C 0.139 175.028 174.900 -0.020 0.000 0.984 608 G CA -0.143 44.970 45.100 0.021 0.000 0.633 608 G HN 0.525 nan 8.290 nan 0.000 0.525 609 V N 1.070 120.962 119.914 -0.038 0.000 2.732 609 V HA 0.626 4.747 4.120 0.002 0.000 0.297 609 V C 0.940 176.856 176.094 -0.296 0.000 1.060 609 V CA 0.504 62.671 62.300 -0.223 0.000 1.038 609 V CB 1.762 33.336 31.823 -0.415 0.000 1.003 609 V HN 0.537 nan 8.190 nan 0.000 0.481 610 S N 3.874 119.379 115.700 -0.324 0.000 2.423 610 S HA 0.520 4.991 4.470 0.002 0.000 0.317 610 S C -0.839 173.590 174.600 -0.284 0.000 1.065 610 S CA -0.494 57.581 58.200 -0.208 0.000 1.111 610 S CB -0.218 62.906 63.200 -0.127 0.000 0.968 610 S HN 0.437 nan 8.310 nan 0.000 0.474 611 Y N 5.117 125.463 120.300 0.076 0.000 2.354 611 Y HA 0.448 4.999 4.550 0.002 0.000 0.322 611 Y C -1.509 174.514 175.900 0.204 0.000 1.253 611 Y CA -2.005 56.155 58.100 0.100 0.000 1.272 611 Y CB 0.523 39.008 38.460 0.041 0.000 1.255 611 Y HN 0.506 nan 8.280 nan 0.000 0.500 612 P HA 0.042 nan 4.420 nan 0.000 0.274 612 P C -0.757 176.639 177.300 0.160 0.000 1.260 612 P CA -0.355 62.834 63.100 0.147 0.000 0.793 612 P CB 0.638 32.394 31.700 0.094 0.000 1.048 613 S N -0.243 115.449 115.700 -0.012 0.000 2.533 613 S HA 0.251 4.723 4.470 0.002 0.000 0.282 613 S C 0.196 174.971 174.600 0.292 0.000 1.304 613 S CA 0.288 58.570 58.200 0.137 0.000 1.063 613 S CB -0.539 62.608 63.200 -0.088 0.000 0.881 613 S HN 0.404 nan 8.310 nan 0.000 0.493 614 T N 3.437 118.202 114.554 0.351 0.000 2.861 614 T HA 0.526 4.877 4.350 0.002 0.000 0.287 614 T C -0.557 174.195 174.700 0.087 0.000 1.003 614 T CA -0.576 61.673 62.100 0.249 0.000 0.977 614 T CB 1.332 70.266 68.868 0.110 0.000 0.996 614 T HN 0.553 nan 8.240 nan 0.000 0.448 615 M N 4.295 123.882 119.600 -0.023 0.000 1.999 615 M HA 0.514 4.996 4.480 0.002 0.000 0.299 615 M C -1.533 174.706 176.300 -0.102 0.000 0.900 615 M CA -0.480 54.639 55.300 -0.303 0.000 0.904 615 M CB 0.523 32.758 32.600 -0.609 0.000 1.477 615 M HN 0.331 nan 8.290 nan 0.000 0.403 616 V N 3.901 123.780 119.914 -0.058 0.000 2.530 616 V HA 0.567 4.688 4.120 0.002 0.000 0.282 616 V C 0.399 176.493 176.094 -0.000 0.000 1.048 616 V CA -0.222 62.094 62.300 0.026 0.000 0.997 616 V CB 0.947 32.829 31.823 0.098 0.000 0.987 616 V HN 0.868 nan 8.190 nan 0.000 0.477 617 T N 0.891 115.454 114.554 0.014 0.000 2.863 617 T HA 0.791 5.142 4.350 0.002 0.000 0.285 617 T C -0.461 174.258 174.700 0.031 0.000 1.009 617 T CA -0.648 61.457 62.100 0.008 0.000 0.989 617 T CB 2.022 70.881 68.868 -0.014 0.000 1.004 617 T HN 0.824 nan 8.240 nan 0.000 0.455 618 T N -0.021 114.559 114.554 0.043 0.000 2.770 618 T HA 0.613 4.965 4.350 0.002 0.000 0.323 618 T C -1.250 173.477 174.700 0.045 0.000 1.683 618 T CA -0.157 61.966 62.100 0.038 0.000 1.024 618 T CB 0.964 69.851 68.868 0.032 0.000 1.557 618 T HN 1.269 nan 8.240 nan 0.000 0.494 619 A N 1.481 124.314 122.820 0.021 0.000 2.286 619 A HA 0.562 4.883 4.320 0.002 0.000 0.286 619 A C 1.200 178.785 177.584 0.001 0.000 1.097 619 A CA 0.268 52.316 52.037 0.020 0.000 0.821 619 A CB 0.249 19.264 19.000 0.025 0.000 1.076 619 A HN 0.951 nan 8.150 nan 0.000 0.490 620 D N -0.247 120.129 120.400 -0.040 0.000 2.264 620 D HA -0.067 4.574 4.640 0.002 0.000 0.208 620 D C 0.085 176.057 176.300 -0.546 0.000 0.966 620 D CA 1.403 55.294 54.000 -0.181 0.000 0.864 620 D CB -0.178 40.462 40.800 -0.267 0.000 0.933 620 D HN 0.498 nan 8.370 nan 0.000 0.499 621 H N -0.668 118.440 119.070 0.063 0.000 2.856 621 H HA 0.512 5.069 4.556 0.002 0.000 0.355 621 H C -1.028 174.304 175.328 0.005 0.000 1.079 621 H CA -0.740 55.322 56.048 0.023 0.000 1.240 621 H CB 1.632 31.418 29.762 0.040 0.000 1.701 621 H HN -0.025 nan 8.280 nan 0.000 0.527 622 N N 1.738 120.490 118.700 0.088 0.000 2.493 622 N HA 0.045 4.786 4.740 0.002 0.000 0.279 622 N C -0.364 175.179 175.510 0.056 0.000 1.082 622 N CA -0.272 52.814 53.050 0.061 0.000 0.963 622 N CB 1.829 40.335 38.487 0.032 0.000 1.627 622 N HN 0.512 nan 8.380 nan 0.000 0.499 623 D N 1.355 121.795 120.400 0.067 0.000 2.213 623 D HA -0.022 4.620 4.640 0.002 0.000 0.205 623 D C 1.484 177.837 176.300 0.088 0.000 0.961 623 D CA 0.374 54.411 54.000 0.062 0.000 0.853 623 D CB 0.806 41.637 40.800 0.052 0.000 0.967 623 D HN 0.499 nan 8.370 nan 0.000 0.496 624 R N 0.914 121.487 120.500 0.122 0.000 2.055 624 R HA -0.030 4.311 4.340 0.002 0.000 0.228 624 R C 0.104 176.609 176.300 0.342 0.000 1.143 624 R CA 0.951 57.174 56.100 0.206 0.000 0.945 624 R CB 0.084 30.498 30.300 0.190 0.000 0.841 624 R HN -0.068 nan 8.270 nan 0.000 0.429 625 V N 3.308 123.389 119.914 0.278 0.000 2.357 625 V HA 0.169 4.290 4.120 0.002 0.000 0.281 625 V C -0.131 176.066 176.094 0.171 0.000 1.015 625 V CA -0.910 61.595 62.300 0.343 0.000 0.827 625 V CB 1.355 33.307 31.823 0.215 0.000 1.018 625 V HN 0.192 nan 8.190 nan 0.000 0.432 626 V N 3.891 123.883 119.914 0.130 0.000 2.673 626 V HA 0.199 4.321 4.120 0.002 0.000 0.303 626 V C -1.348 174.604 176.094 -0.236 0.000 1.046 626 V CA -0.647 61.583 62.300 -0.117 0.000 1.126 626 V CB 0.500 32.117 31.823 -0.343 0.000 0.934 626 V HN 0.612 nan 8.190 nan 0.000 0.487 627 P HA -0.111 nan 4.420 nan 0.000 0.221 627 P C 1.708 178.399 177.300 -1.015 0.000 1.145 627 P CA 1.966 64.588 63.100 -0.797 0.000 0.795 627 P CB 0.028 31.041 31.700 -1.145 0.000 0.775 628 A N -0.304 122.036 122.820 -0.800 0.000 1.940 628 A HA -0.314 4.008 4.320 0.002 0.000 0.221 628 A C 2.113 179.450 177.584 -0.412 0.000 1.190 628 A CA 1.865 53.517 52.037 -0.641 0.000 0.647 628 A CB -1.715 16.788 19.000 -0.828 0.000 0.821 628 A HN 0.259 nan 8.150 nan 0.000 0.457 629 H N -0.355 118.550 119.070 -0.275 0.000 2.267 629 H HA -0.097 4.460 4.556 0.002 0.000 0.297 629 H C 2.674 177.976 175.328 -0.044 0.000 1.080 629 H CA 1.889 57.882 56.048 -0.093 0.000 1.278 629 H CB -0.624 29.106 29.762 -0.053 0.000 1.365 629 H HN 0.515 nan 8.280 nan 0.000 0.489 630 S N 0.754 116.496 115.700 0.069 0.000 2.368 630 S HA -0.118 4.353 4.470 0.002 0.000 0.225 630 S C 2.069 176.849 174.600 0.301 0.000 1.030 630 S CA 0.909 59.204 58.200 0.159 0.000 0.999 630 S CB -0.298 62.973 63.200 0.118 0.000 0.844 630 S HN 0.183 nan 8.310 nan 0.000 0.459 631 F N 1.813 121.763 119.950 0.000 0.000 2.069 631 F HA -0.049 4.480 4.527 0.002 0.000 0.298 631 F C 2.225 177.859 175.800 -0.277 0.000 1.113 631 F CA 0.860 58.791 58.000 -0.114 0.000 1.214 631 F CB -1.102 37.669 39.000 -0.382 0.000 0.978 631 F HN 0.184 nan 8.300 nan 0.000 0.474 632 K N -0.999 119.376 120.400 -0.041 0.000 2.097 632 K HA -0.182 4.139 4.320 0.002 0.000 0.205 632 K C 2.056 178.637 176.600 -0.032 0.000 1.050 632 K CA 1.221 57.439 56.287 -0.115 0.000 0.938 632 K CB -0.503 31.986 32.500 -0.020 0.000 0.718 632 K HN 0.100 nan 8.250 nan 0.000 0.442 633 F N 1.527 121.423 119.950 -0.089 0.000 2.113 633 F HA -0.121 4.407 4.527 0.002 0.000 0.297 633 F C 2.143 177.862 175.800 -0.135 0.000 1.103 633 F CA 1.212 59.151 58.000 -0.102 0.000 1.248 633 F CB -0.462 38.499 39.000 -0.066 0.000 0.999 633 F HN -0.037 nan 8.300 nan 0.000 0.475 634 A N 0.307 123.095 122.820 -0.052 0.000 1.902 634 A HA -0.048 4.273 4.320 0.002 0.000 0.217 634 A C 2.428 179.851 177.584 -0.268 0.000 1.181 634 A CA 1.793 53.728 52.037 -0.170 0.000 0.623 634 A CB -1.558 17.464 19.000 0.036 0.000 0.818 634 A HN 0.470 nan 8.150 nan 0.000 0.443 635 A N -0.825 121.840 122.820 -0.258 0.000 1.908 635 A HA -0.110 4.211 4.320 0.002 0.000 0.218 635 A C 2.304 179.549 177.584 -0.565 0.000 1.181 635 A CA 2.376 54.104 52.037 -0.515 0.000 0.627 635 A CB -1.275 17.019 19.000 -1.177 0.000 0.818 635 A HN 0.451 nan 8.150 nan 0.000 0.445 636 T N 0.330 114.614 114.554 -0.451 0.000 2.821 636 T HA -0.029 4.323 4.350 0.002 0.000 0.267 636 T C 1.811 176.331 174.700 -0.301 0.000 1.046 636 T CA 1.318 63.300 62.100 -0.196 0.000 1.139 636 T CB -0.335 68.477 68.868 -0.093 0.000 0.871 636 T HN 0.348 nan 8.240 nan 0.000 0.454 637 L N 0.666 121.582 121.223 -0.511 0.000 2.046 637 L HA -0.131 4.211 4.340 0.002 0.000 0.208 637 L C 2.930 179.583 176.870 -0.363 0.000 1.077 637 L CA 1.397 55.903 54.840 -0.557 0.000 0.747 637 L CB -0.534 41.105 42.059 -0.701 0.000 0.896 637 L HN 0.279 nan 8.230 nan 0.000 0.432 638 Q N -0.589 118.951 119.800 -0.434 0.000 2.170 638 Q HA -0.181 4.160 4.340 0.002 0.000 0.203 638 Q C 2.334 178.233 176.000 -0.169 0.000 0.976 638 Q CA 1.549 57.043 55.803 -0.516 0.000 0.858 638 Q CB -0.165 28.099 28.738 -0.790 0.000 0.907 638 Q HN 0.572 nan 8.270 nan 0.000 0.433 639 A N 0.701 123.461 122.820 -0.100 0.000 1.930 639 A HA -0.137 4.184 4.320 0.002 0.000 0.215 639 A C 1.275 178.891 177.584 0.052 0.000 1.176 639 A CA 1.455 53.515 52.037 0.037 0.000 0.632 639 A CB 0.018 19.095 19.000 0.128 0.000 0.819 639 A HN 0.191 nan 8.150 nan 0.000 0.445 640 D N -0.612 119.800 120.400 0.019 0.000 2.277 640 D HA 0.017 4.659 4.640 0.002 0.000 0.209 640 D C 0.658 177.038 176.300 0.134 0.000 0.970 640 D CA 0.192 54.235 54.000 0.072 0.000 0.874 640 D CB -0.475 40.364 40.800 0.066 0.000 0.982 640 D HN 0.410 nan 8.370 nan 0.000 0.504 641 N N 0.433 119.216 118.700 0.137 0.000 2.411 641 N HA 0.097 4.839 4.740 0.002 0.000 0.261 641 N C 0.282 175.873 175.510 0.135 0.000 1.248 641 N CA 0.236 53.426 53.050 0.233 0.000 0.885 641 N CB 0.864 39.486 38.487 0.225 0.000 1.062 641 N HN -0.023 nan 8.380 nan 0.000 0.471 642 A N 2.510 125.383 122.820 0.089 0.000 2.431 642 A HA 0.379 4.700 4.320 0.002 0.000 0.239 642 A C 0.964 178.545 177.584 -0.004 0.000 1.230 642 A CA 0.221 52.281 52.037 0.037 0.000 0.928 642 A CB -0.287 18.725 19.000 0.019 0.000 1.006 642 A HN 0.675 nan 8.150 nan 0.000 0.520 643 G N 0.061 108.849 108.800 -0.020 0.000 2.543 643 G HA2 0.442 4.403 3.960 0.002 0.000 0.290 643 G HA3 0.442 4.403 3.960 0.002 0.000 0.290 643 G C -0.986 173.837 174.900 -0.128 0.000 1.310 643 G CA -0.579 44.457 45.100 -0.107 0.000 1.025 643 G HN 0.065 nan 8.290 nan 0.000 0.502 644 P HA 0.010 nan 4.420 nan 0.000 0.236 644 P C -0.112 177.127 177.300 -0.101 0.000 1.177 644 P CA 0.452 63.436 63.100 -0.193 0.000 0.773 644 P CB 0.119 31.691 31.700 -0.212 0.000 0.878 645 H N 2.343 121.457 119.070 0.073 0.000 2.582 645 H HA 0.232 4.789 4.556 0.002 0.000 0.345 645 H C -1.910 173.492 175.328 0.123 0.000 1.104 645 H CA -2.789 53.314 56.048 0.092 0.000 1.390 645 H CB -0.259 29.557 29.762 0.090 0.000 1.461 645 H HN 0.197 nan 8.280 nan 0.000 0.551 646 P HA 0.039 nan 4.420 nan 0.000 0.275 646 P C -0.533 176.883 177.300 0.194 0.000 1.227 646 P CA -0.426 62.774 63.100 0.167 0.000 0.781 646 P CB 1.062 32.676 31.700 -0.144 0.000 0.906 647 Q N 3.127 123.023 119.800 0.160 0.000 2.456 647 Q HA 0.445 4.787 4.340 0.002 0.000 0.252 647 Q C -0.209 175.699 176.000 -0.153 0.000 1.042 647 Q CA -0.346 55.425 55.803 -0.053 0.000 0.766 647 Q CB 1.255 29.863 28.738 -0.217 0.000 1.196 647 Q HN 0.513 nan 8.270 nan 0.000 0.504 648 L N 1.805 122.950 121.223 -0.130 0.000 2.313 648 L HA 0.677 5.018 4.340 0.002 0.000 0.268 648 L C -0.086 176.666 176.870 -0.196 0.000 1.010 648 L CA -1.119 53.611 54.840 -0.183 0.000 0.814 648 L CB 1.848 43.762 42.059 -0.241 0.000 1.304 648 L HN 0.429 nan 8.230 nan 0.000 0.441 649 I N 1.186 121.641 120.570 -0.192 0.000 2.533 649 I HA 0.432 4.603 4.170 0.002 0.000 0.290 649 I C -0.888 175.142 176.117 -0.146 0.000 1.056 649 I CA -0.535 60.684 61.300 -0.136 0.000 1.057 649 I CB 1.875 39.823 38.000 -0.086 0.000 1.240 649 I HN 0.628 nan 8.210 nan 0.000 0.423 650 R N 7.699 128.138 120.500 -0.102 0.000 2.337 650 R HA 0.547 4.888 4.340 0.002 0.000 0.319 650 R C -1.790 174.492 176.300 -0.030 0.000 0.954 650 R CA -0.638 55.409 56.100 -0.089 0.000 0.840 650 R CB 0.901 31.138 30.300 -0.105 0.000 1.164 650 R HN 0.573 nan 8.270 nan 0.000 0.472 651 I N 3.677 124.233 120.570 -0.025 0.000 2.307 651 I HA 0.182 4.353 4.170 0.002 0.000 0.289 651 I C 0.259 176.382 176.117 0.009 0.000 1.021 651 I CA -0.345 60.974 61.300 0.032 0.000 1.224 651 I CB 1.431 39.462 38.000 0.050 0.000 1.376 651 I HN 0.333 nan 8.210 nan 0.000 0.470 652 E N 4.926 125.136 120.200 0.017 0.000 2.344 652 E HA 0.254 4.606 4.350 0.002 0.000 0.270 652 E C 0.182 176.790 176.600 0.015 0.000 1.021 652 E CA 0.056 56.460 56.400 0.007 0.000 0.887 652 E CB 1.153 30.859 29.700 0.009 0.000 0.997 652 E HN 0.717 nan 8.360 nan 0.000 0.429 663 V N -2.054 117.823 119.914 -0.063 0.000 2.759 663 V HA -0.029 4.093 4.120 0.002 0.000 0.256 663 V C 1.794 177.677 176.094 -0.351 0.000 1.080 663 V CA 2.140 64.337 62.300 -0.172 0.000 1.101 663 V CB -1.599 30.128 31.823 -0.160 0.000 0.698 663 V HN 0.698 nan 8.190 nan 0.000 0.477 664 A N 0.915 123.601 122.820 -0.224 0.000 1.883 664 A HA -0.217 4.104 4.320 0.002 0.000 0.217 664 A C 2.349 179.817 177.584 -0.195 0.000 1.186 664 A CA 2.356 54.267 52.037 -0.209 0.000 0.624 664 A CB -0.585 18.345 19.000 -0.117 0.000 0.822 664 A HN 0.614 nan 8.150 nan 0.000 0.444 665 K N -0.556 119.762 120.400 -0.137 0.000 2.148 665 K HA 0.055 4.377 4.320 0.002 0.000 0.204 665 K C 1.847 178.371 176.600 -0.127 0.000 1.050 665 K CA 1.047 57.273 56.287 -0.103 0.000 0.942 665 K CB -0.310 32.157 32.500 -0.055 0.000 0.724 665 K HN 0.466 nan 8.250 nan 0.000 0.446 666 L N 0.795 121.920 121.223 -0.163 0.000 2.083 666 L HA -0.169 4.173 4.340 0.002 0.000 0.209 666 L C 2.300 179.003 176.870 -0.279 0.000 1.083 666 L CA 1.096 55.850 54.840 -0.144 0.000 0.752 666 L CB -0.353 41.680 42.059 -0.042 0.000 0.899 666 L HN 0.171 nan 8.230 nan 0.000 0.433 667 I N -0.389 119.860 120.570 -0.536 0.000 2.252 667 I HA -0.258 3.913 4.170 0.002 0.000 0.245 667 I C 2.563 178.562 176.117 -0.197 0.000 1.102 667 I CA 1.016 62.008 61.300 -0.513 0.000 1.385 667 I CB -0.129 37.521 38.000 -0.583 0.000 1.064 667 I HN 0.226 nan 8.210 nan 0.000 0.414 668 E N 0.689 120.791 120.200 -0.162 0.000 2.110 668 E HA -0.237 4.115 4.350 0.002 0.000 0.193 668 E C 2.195 178.755 176.600 -0.067 0.000 0.988 668 E CA 1.332 57.680 56.400 -0.085 0.000 0.804 668 E CB -0.048 29.605 29.700 -0.077 0.000 0.745 668 E HN 0.296 nan 8.360 nan 0.000 0.458 669 Q N -0.235 119.515 119.800 -0.083 0.000 2.050 669 Q HA -0.091 4.250 4.340 0.002 0.000 0.202 669 Q C 2.358 178.292 176.000 -0.111 0.000 0.980 669 Q CA 1.657 57.414 55.803 -0.076 0.000 0.840 669 Q CB -0.199 28.502 28.738 -0.061 0.000 0.898 669 Q HN 0.241 nan 8.270 nan 0.000 0.424 670 S N 0.644 116.273 115.700 -0.118 0.000 2.368 670 S HA -0.128 4.343 4.470 0.002 0.000 0.225 670 S C 1.956 176.420 174.600 -0.228 0.000 1.030 670 S CA 1.020 59.071 58.200 -0.248 0.000 0.999 670 S CB -0.209 62.962 63.200 -0.048 0.000 0.844 670 S HN 0.500 nan 8.310 nan 0.000 0.459 671 A N 1.998 124.811 122.820 -0.012 0.000 1.902 671 A HA -0.161 4.160 4.320 0.002 0.000 0.217 671 A C 1.826 179.477 177.584 0.112 0.000 1.181 671 A CA 1.739 53.843 52.037 0.112 0.000 0.623 671 A CB -0.707 18.354 19.000 0.100 0.000 0.818 671 A HN 0.344 nan 8.150 nan 0.000 0.443 672 D N -0.010 120.415 120.400 0.042 0.000 2.117 672 D HA -0.115 4.526 4.640 0.002 0.000 0.197 672 D C 1.840 178.212 176.300 0.119 0.000 0.987 672 D CA 1.156 55.198 54.000 0.069 0.000 0.829 672 D CB -0.325 40.477 40.800 0.004 0.000 0.961 672 D HN 0.523 nan 8.370 nan 0.000 0.460 673 I N 0.066 120.640 120.570 0.006 0.000 2.202 673 I HA -0.289 3.882 4.170 0.002 0.000 0.242 673 I C 2.080 178.315 176.117 0.196 0.000 1.091 673 I CA 0.917 62.233 61.300 0.027 0.000 1.368 673 I CB -0.163 37.725 38.000 -0.186 0.000 1.058 673 I HN 0.003 nan 8.210 nan 0.000 0.410 674 Y N 0.664 121.086 120.300 0.203 0.000 2.242 674 Y HA -0.103 4.449 4.550 0.002 0.000 0.291 674 Y C 2.611 178.747 175.900 0.393 0.000 1.137 674 Y CA 0.587 58.859 58.100 0.287 0.000 1.181 674 Y CB -1.288 37.383 38.460 0.352 0.000 0.989 674 Y HN 0.102 nan 8.280 nan 0.000 0.527 675 A N -0.127 123.003 122.820 0.516 0.000 1.877 675 A HA -0.215 4.107 4.320 0.002 0.000 0.216 675 A C 2.179 180.081 177.584 0.530 0.000 1.186 675 A CA 1.522 53.871 52.037 0.519 0.000 0.620 675 A CB -1.381 17.826 19.000 0.345 0.000 0.822 675 A HN 0.410 nan 8.150 nan 0.000 0.443 676 F N 1.510 121.645 119.950 0.308 0.000 2.095 676 F HA -0.179 4.350 4.527 0.002 0.000 0.298 676 F C 2.482 178.509 175.800 0.378 0.000 1.104 676 F CA 2.368 60.563 58.000 0.325 0.000 1.232 676 F CB -0.789 38.347 39.000 0.226 0.000 0.987 676 F HN 0.217 nan 8.300 nan 0.000 0.475 677 T N 1.622 116.409 114.554 0.388 0.000 2.684 677 T HA -0.206 4.145 4.350 0.002 0.000 0.267 677 T C 2.154 177.044 174.700 0.317 0.000 1.036 677 T CA 1.964 64.225 62.100 0.267 0.000 1.148 677 T CB -0.606 68.448 68.868 0.310 0.000 0.863 677 T HN 0.254 nan 8.240 nan 0.000 0.436 678 L N -0.628 120.871 121.223 0.460 0.000 2.093 678 L HA -0.063 4.278 4.340 0.002 0.000 0.208 678 L C 2.398 179.596 176.870 0.545 0.000 1.085 678 L CA 1.358 56.482 54.840 0.473 0.000 0.755 678 L CB -0.565 41.652 42.059 0.264 0.000 0.904 678 L HN 0.247 nan 8.230 nan 0.000 0.435 679 Y N 1.168 121.700 120.300 0.387 0.000 2.181 679 Y HA -0.226 4.326 4.550 0.002 0.000 0.288 679 Y C 2.582 178.549 175.900 0.111 0.000 1.146 679 Y CA 1.495 59.760 58.100 0.275 0.000 1.164 679 Y CB 0.027 38.586 38.460 0.164 0.000 0.982 679 Y HN 0.119 nan 8.280 nan 0.000 0.515 680 E N -0.200 120.010 120.200 0.017 0.000 2.268 680 E HA -0.166 4.186 4.350 0.002 0.000 0.195 680 E C 1.930 178.465 176.600 -0.109 0.000 0.995 680 E CA 1.150 57.453 56.400 -0.163 0.000 0.836 680 E CB -0.338 29.125 29.700 -0.395 0.000 0.763 680 E HN 0.613 nan 8.360 nan 0.000 0.491 681 M N -1.003 118.605 119.600 0.014 0.000 2.618 681 M HA 0.076 4.558 4.480 0.002 0.000 0.240 681 M C 0.992 177.216 176.300 -0.127 0.000 1.123 681 M CA 0.739 56.040 55.300 0.002 0.000 1.060 681 M CB 0.470 33.182 32.600 0.186 0.000 1.535 681 M HN 0.223 nan 8.290 nan 0.000 0.507 682 G N -0.218 108.513 108.800 -0.114 0.000 2.157 682 G HA2 -0.260 3.701 3.960 0.002 0.000 0.239 682 G HA3 -0.260 3.701 3.960 0.002 0.000 0.239 682 G C -0.300 174.529 174.900 -0.117 0.000 0.982 682 G CA -0.556 44.440 45.100 -0.174 0.000 0.650 682 G HN 0.416 nan 8.290 nan 0.000 0.527 683 Y N 0.584 120.924 120.300 0.066 0.000 2.442 683 Y HA 0.435 4.986 4.550 0.002 0.000 0.330 683 Y C 1.979 178.038 175.900 0.265 0.000 1.129 683 Y CA 0.284 58.449 58.100 0.108 0.000 1.365 683 Y CB 0.616 39.096 38.460 0.034 0.000 1.233 683 Y HN 0.116 nan 8.280 nan 0.000 0.529 684 R N 0.826 121.539 120.500 0.355 0.000 2.237 684 R HA 0.116 4.457 4.340 0.002 0.000 0.195 684 R C -0.271 176.288 176.300 0.431 0.000 0.956 684 R CA 0.456 56.767 56.100 0.351 0.000 1.029 684 R CB 0.446 30.854 30.300 0.181 0.000 0.972 684 R HN 0.572 nan 8.270 nan 0.000 0.493 685 E N 0.379 120.754 120.200 0.291 0.000 2.393 685 E HA 0.273 4.624 4.350 0.002 0.000 0.273 685 E C -0.667 175.835 176.600 -0.164 0.000 0.918 685 E CA -0.789 55.687 56.400 0.127 0.000 0.773 685 E CB 1.792 31.550 29.700 0.096 0.000 1.275 685 E HN -0.043 nan 8.360 nan 0.000 0.451 686 L N 2.179 123.201 121.223 -0.335 0.000 2.529 686 L HA -0.010 4.331 4.340 0.002 0.000 0.287 686 L C -1.229 175.417 176.870 -0.373 0.000 1.241 686 L CA -0.877 53.676 54.840 -0.477 0.000 0.857 686 L CB -0.153 41.711 42.059 -0.325 0.000 1.113 686 L HN 0.276 nan 8.230 nan 0.000 0.504 687 P HA -0.112 nan 4.420 nan 0.000 0.216 687 P C -0.147 177.028 177.300 -0.207 0.000 1.150 687 P CA 1.299 64.155 63.100 -0.407 0.000 0.837 687 P CB 0.185 31.529 31.700 -0.594 0.000 0.786 688 R N -0.711 119.653 120.500 -0.226 0.000 2.651 688 R HA 0.237 4.578 4.340 0.002 0.000 0.278 688 R C -0.973 175.254 176.300 -0.121 0.000 1.010 688 R CA -0.687 55.329 56.100 -0.140 0.000 0.896 688 R CB 1.114 31.334 30.300 -0.133 0.000 1.211 688 R HN -0.260 nan 8.270 nan 0.000 0.456 689 Q N 4.694 124.450 119.800 -0.073 0.000 2.323 689 Q HA 0.256 4.597 4.340 0.002 0.000 0.257 689 Q C -1.848 174.131 176.000 -0.034 0.000 1.022 689 Q CA -1.577 54.197 55.803 -0.049 0.000 0.919 689 Q CB 1.226 29.949 28.738 -0.026 0.000 1.220 689 Q HN 0.540 nan 8.270 nan 0.000 0.427 690 P HA 0.000 nan 4.420 nan 0.000 0.216 690 P CA 0.000 63.102 63.100 0.003 0.000 0.800 690 P CB 0.000 31.715 31.700 0.026 0.000 0.726