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 1sqg_1_A DATA FIRST_RESID 5 DATA SEQUENCE RNLRSMAAQA VEQVVEQGQS LSNILPPLQQ KVSDKDKALL QELCFGVLRT DATA SEQUENCE LSQLDWLINK LMARPMTGKQ RTVHYLIMVG LYQLLYTRIP PHAALAETVE DATA SEQUENCE GAIAIKRPQL KGLINGVLRQ FQRQQEELLA EFNASDARYL HPSWLLKRLQ DATA SEQUENCE KAYPEQWQSI VEANNQRPPM WLRINRTHHS RDSWLALLDE AGMKGFPHAD DATA SEQUENCE YPDAVRLETP APVHALPGFE DGWVTVQDAS AQGCMTWLAP QNGEHILDLC DATA SEQUENCE AAPGGKTTHI LEVAPEAQVV AVDIDEQRLS RVYDNLKRLG MKATVKQGDG DATA SEQUENCE RYPSQWCGEQ QFDRILLDAP CSATGVIRRH PDIKWLRRDR DIPELAQLQS DATA SEQUENCE EILDAIWPHL KTGGTLVYAT CSVLPEENSL QIKAFLQRTA DAELCETGTP DATA SEQUENCE EQPGKQNLPG AEEGDGFFYA KLIK 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.306 176.300 0.011 0.000 0.893 5 R CA 0.000 56.105 56.100 0.009 0.000 0.921 5 R CB 0.000 30.305 30.300 0.008 0.000 0.687 6 N N 1.778 120.484 118.700 0.011 0.000 2.439 6 N HA 0.241 5.096 4.740 0.193 0.000 0.249 6 N C 0.637 176.155 175.510 0.013 0.000 1.003 6 N CA -0.334 52.724 53.050 0.012 0.000 0.942 6 N CB 1.113 39.607 38.487 0.013 0.000 1.115 6 N HN 0.596 nan 8.380 nan 0.000 0.505 7 L N 3.065 124.297 121.223 0.015 0.000 2.201 7 L HA -0.086 4.370 4.340 0.193 0.000 0.212 7 L C 1.946 178.826 176.870 0.016 0.000 1.105 7 L CA 0.841 55.690 54.840 0.016 0.000 0.775 7 L CB -0.108 41.964 42.059 0.022 0.000 0.913 7 L HN 0.381 nan 8.230 nan 0.000 0.440 8 R N -0.114 120.397 120.500 0.019 0.000 2.092 8 R HA -0.051 4.404 4.340 0.193 0.000 0.231 8 R C 2.537 178.845 176.300 0.014 0.000 1.119 8 R CA 1.252 57.363 56.100 0.020 0.000 0.970 8 R CB -0.803 29.510 30.300 0.022 0.000 0.864 8 R HN 0.200 nan 8.270 nan 0.000 0.440 9 S N 0.572 116.280 115.700 0.013 0.000 2.368 9 S HA -0.143 4.443 4.470 0.193 0.000 0.225 9 S C 1.905 176.507 174.600 0.004 0.000 1.030 9 S CA 1.503 59.710 58.200 0.012 0.000 0.999 9 S CB -0.195 63.012 63.200 0.011 0.000 0.844 9 S HN 0.218 nan 8.310 nan 0.000 0.459 10 M N 1.353 120.953 119.600 0.001 0.000 2.117 10 M HA -0.115 4.481 4.480 0.193 0.000 0.262 10 M C 2.532 178.821 176.300 -0.019 0.000 1.065 10 M CA 1.580 56.876 55.300 -0.007 0.000 1.114 10 M CB -0.612 31.987 32.600 -0.001 0.000 1.361 10 M HN 0.405 nan 8.290 nan 0.000 0.408 11 A N 0.333 123.145 122.820 -0.014 0.000 1.898 11 A HA -0.023 4.413 4.320 0.193 0.000 0.216 11 A C 2.390 179.950 177.584 -0.040 0.000 1.181 11 A CA 1.831 53.850 52.037 -0.031 0.000 0.620 11 A CB -0.958 18.029 19.000 -0.022 0.000 0.819 11 A HN 0.490 nan 8.150 nan 0.000 0.442 12 A N -0.548 122.267 122.820 -0.010 0.000 1.877 12 A HA -0.241 4.195 4.320 0.193 0.000 0.216 12 A C 2.128 179.686 177.584 -0.044 0.000 1.186 12 A CA 1.770 53.819 52.037 0.020 0.000 0.620 12 A CB -0.644 18.391 19.000 0.059 0.000 0.822 12 A HN 0.647 nan 8.150 nan 0.000 0.443 13 Q N -0.708 119.066 119.800 -0.045 0.000 2.124 13 Q HA -0.077 4.379 4.340 0.193 0.000 0.202 13 Q C 2.413 178.340 176.000 -0.122 0.000 0.977 13 Q CA 1.352 57.111 55.803 -0.073 0.000 0.850 13 Q CB -0.383 28.331 28.738 -0.040 0.000 0.901 13 Q HN 0.695 nan 8.270 nan 0.000 0.429 14 A N 0.295 123.049 122.820 -0.109 0.000 1.873 14 A HA -0.129 4.306 4.320 0.193 0.000 0.215 14 A C 2.330 179.804 177.584 -0.183 0.000 1.186 14 A CA 1.309 53.273 52.037 -0.123 0.000 0.616 14 A CB -0.714 18.227 19.000 -0.098 0.000 0.823 14 A HN 0.208 nan 8.150 nan 0.000 0.442 15 V N 0.177 119.963 119.914 -0.214 0.000 2.407 15 V HA -0.274 3.962 4.120 0.193 0.000 0.248 15 V C 2.509 178.280 176.094 -0.539 0.000 1.055 15 V CA 2.299 64.427 62.300 -0.288 0.000 1.049 15 V CB -0.761 30.942 31.823 -0.199 0.000 0.662 15 V HN 0.769 nan 8.190 nan 0.000 0.455 16 E N -0.099 119.658 120.200 -0.738 0.000 2.085 16 E HA -0.293 4.172 4.350 0.193 0.000 0.194 16 E C 2.292 178.649 176.600 -0.405 0.000 0.994 16 E CA 1.604 57.461 56.400 -0.905 0.000 0.801 16 E CB -0.091 29.270 29.700 -0.566 0.000 0.743 16 E HN 0.683 nan 8.360 nan 0.000 0.453 17 Q N -0.186 119.461 119.800 -0.254 0.000 2.124 17 Q HA -0.153 4.302 4.340 0.193 0.000 0.202 17 Q C 2.310 178.240 176.000 -0.118 0.000 0.977 17 Q CA 1.602 57.318 55.803 -0.145 0.000 0.850 17 Q CB 0.108 28.782 28.738 -0.106 0.000 0.901 17 Q HN 0.227 nan 8.270 nan 0.000 0.429 18 V N -0.106 119.727 119.914 -0.136 0.000 2.244 18 V HA -0.218 4.018 4.120 0.193 0.000 0.244 18 V C 2.174 178.253 176.094 -0.025 0.000 1.042 18 V CA 1.535 63.795 62.300 -0.066 0.000 1.006 18 V CB -0.433 31.357 31.823 -0.056 0.000 0.641 18 V HN 0.175 nan 8.190 nan 0.000 0.446 19 V N -0.182 119.682 119.914 -0.084 0.000 2.379 19 V HA -0.123 4.113 4.120 0.193 0.000 0.245 19 V C 2.408 178.518 176.094 0.027 0.000 1.044 19 V CA 1.686 63.986 62.300 -0.000 0.000 1.036 19 V CB -0.549 31.244 31.823 -0.050 0.000 0.664 19 V HN 0.564 nan 8.190 nan 0.000 0.453 20 E N -0.233 119.944 120.200 -0.038 0.000 2.276 20 E HA -0.033 4.433 4.350 0.193 0.000 0.193 20 E C 1.833 178.431 176.600 -0.003 0.000 0.983 20 E CA 0.529 56.932 56.400 0.004 0.000 0.861 20 E CB 0.137 29.840 29.700 0.004 0.000 0.817 20 E HN 0.661 nan 8.360 nan 0.000 0.485 21 Q N -0.582 119.203 119.800 -0.026 0.000 2.217 21 Q HA 0.243 4.698 4.340 0.193 0.000 0.217 21 Q C 0.549 176.543 176.000 -0.010 0.000 0.844 21 Q CA 0.331 56.122 55.803 -0.019 0.000 0.957 21 Q CB 1.401 30.120 28.738 -0.032 0.000 1.127 21 Q HN 0.290 nan 8.270 nan 0.000 0.503 22 G N 1.673 110.473 108.800 0.000 0.000 2.176 22 G HA2 -0.301 3.775 3.960 0.193 0.000 0.252 22 G HA3 -0.301 3.775 3.960 0.193 0.000 0.252 22 G C -0.179 174.720 174.900 -0.003 0.000 1.024 22 G CA 0.089 45.195 45.100 0.011 0.000 0.755 22 G HN 0.298 nan 8.290 nan 0.000 0.507 23 Q N 0.139 119.928 119.800 -0.018 0.000 2.259 23 Q HA 0.556 5.011 4.340 0.193 0.000 0.246 23 Q C 0.157 176.141 176.000 -0.028 0.000 0.920 23 Q CA -0.270 55.518 55.803 -0.025 0.000 0.895 23 Q CB 1.271 29.986 28.738 -0.037 0.000 1.220 23 Q HN 0.274 nan 8.270 nan 0.000 0.439 24 S N 1.787 117.469 115.700 -0.030 0.000 2.545 24 S HA 0.046 4.631 4.470 0.193 0.000 0.275 24 S C 0.854 175.424 174.600 -0.051 0.000 1.299 24 S CA -0.506 57.672 58.200 -0.037 0.000 1.048 24 S CB 0.857 64.033 63.200 -0.040 0.000 0.938 24 S HN 0.545 nan 8.310 nan 0.000 0.496 25 L N 4.169 125.347 121.223 -0.074 0.000 2.127 25 L HA -0.127 4.329 4.340 0.193 0.000 0.211 25 L C 2.404 179.240 176.870 -0.056 0.000 1.089 25 L CA 2.025 56.796 54.840 -0.116 0.000 0.757 25 L CB -0.932 40.973 42.059 -0.257 0.000 0.899 25 L HN 0.850 nan 8.230 nan 0.000 0.434 26 S N -1.476 114.214 115.700 -0.017 0.000 2.442 26 S HA -0.122 4.463 4.470 0.193 0.000 0.236 26 S C 1.738 176.346 174.600 0.013 0.000 1.007 26 S CA 1.202 59.418 58.200 0.027 0.000 0.965 26 S CB -0.556 62.655 63.200 0.018 0.000 0.773 26 S HN 0.564 nan 8.310 nan 0.000 0.504 27 N N 1.202 119.897 118.700 -0.008 0.000 2.402 27 N HA 0.188 5.043 4.740 0.193 0.000 0.174 27 N C 1.662 177.166 175.510 -0.010 0.000 1.027 27 N CA 1.046 54.092 53.050 -0.007 0.000 0.891 27 N CB -0.242 38.237 38.487 -0.013 0.000 1.016 27 N HN 0.633 nan 8.380 nan 0.000 0.439 28 I N -0.219 120.337 120.570 -0.023 0.000 2.480 28 I HA 0.024 4.309 4.170 0.193 0.000 0.251 28 I C 1.831 177.937 176.117 -0.017 0.000 1.124 28 I CA 0.897 62.181 61.300 -0.027 0.000 1.444 28 I CB -0.160 37.811 38.000 -0.048 0.000 1.098 28 I HN -0.069 nan 8.210 nan 0.000 0.428 29 L N 0.751 121.967 121.223 -0.012 0.000 2.017 29 L HA -0.065 4.390 4.340 0.193 0.000 0.208 29 L C -0.117 176.768 176.870 0.026 0.000 1.073 29 L CA 1.608 56.455 54.840 0.011 0.000 0.745 29 L CB -1.809 40.273 42.059 0.038 0.000 0.894 29 L HN 0.211 nan 8.230 nan 0.000 0.432 30 P HA -0.196 nan 4.420 nan 0.000 0.214 30 P C -1.353 175.960 177.300 0.022 0.000 1.172 30 P CA 2.063 65.182 63.100 0.032 0.000 0.925 30 P CB -1.257 30.461 31.700 0.030 0.000 0.793 31 P HA -0.124 nan 4.420 nan 0.000 0.217 31 P C 1.551 178.856 177.300 0.009 0.000 1.148 31 P CA 1.280 64.386 63.100 0.010 0.000 0.828 31 P CB -0.517 31.186 31.700 0.004 0.000 0.783 32 L N -1.145 120.083 121.223 0.009 0.000 2.068 32 L HA -0.125 4.331 4.340 0.193 0.000 0.204 32 L C 2.556 179.435 176.870 0.016 0.000 1.076 32 L CA 1.402 56.247 54.840 0.009 0.000 0.753 32 L CB -1.017 41.044 42.059 0.003 0.000 0.910 32 L HN -0.066 nan 8.230 nan 0.000 0.439 33 Q N -0.538 119.276 119.800 0.024 0.000 2.226 33 Q HA -0.205 4.251 4.340 0.193 0.000 0.204 33 Q C 2.297 178.311 176.000 0.023 0.000 0.975 33 Q CA 1.273 57.093 55.803 0.029 0.000 0.866 33 Q CB -0.049 28.714 28.738 0.041 0.000 0.915 33 Q HN 0.377 nan 8.270 nan 0.000 0.440 34 Q N -0.327 119.485 119.800 0.020 0.000 2.369 34 Q HA -0.094 4.362 4.340 0.193 0.000 0.206 34 Q C 2.052 178.059 176.000 0.012 0.000 0.963 34 Q CA 1.100 56.913 55.803 0.016 0.000 0.894 34 Q CB 0.055 28.802 28.738 0.015 0.000 0.965 34 Q HN 0.382 nan 8.270 nan 0.000 0.475 35 K N -0.252 120.155 120.400 0.011 0.000 2.305 35 K HA 0.126 4.562 4.320 0.193 0.000 0.199 35 K C 1.060 177.665 176.600 0.009 0.000 1.047 35 K CA 0.706 56.998 56.287 0.009 0.000 0.976 35 K CB -0.300 32.205 32.500 0.008 0.000 0.765 35 K HN 0.584 nan 8.250 nan 0.000 0.474 36 V N -1.165 118.756 119.914 0.012 0.000 2.919 36 V HA 0.671 4.907 4.120 0.193 0.000 0.316 36 V C 0.276 176.377 176.094 0.012 0.000 1.077 36 V CA -1.137 61.171 62.300 0.012 0.000 0.977 36 V CB 1.798 33.630 31.823 0.015 0.000 1.039 36 V HN 0.275 nan 8.190 nan 0.000 0.441 37 S N 0.865 116.571 115.700 0.010 0.000 2.606 37 S HA 0.108 4.694 4.470 0.193 0.000 0.257 37 S C 0.679 175.286 174.600 0.012 0.000 1.327 37 S CA 0.504 58.709 58.200 0.008 0.000 0.984 37 S CB 0.439 63.644 63.200 0.007 0.000 0.941 37 S HN 0.838 nan 8.310 nan 0.000 0.576 38 D N 0.826 121.233 120.400 0.011 0.000 2.104 38 D HA -0.073 4.682 4.640 0.193 0.000 0.194 38 D C 1.928 178.237 176.300 0.016 0.000 0.994 38 D CA 1.559 55.569 54.000 0.016 0.000 0.830 38 D CB -0.270 40.540 40.800 0.017 0.000 0.959 38 D HN 0.630 nan 8.370 nan 0.000 0.452 39 K N 0.302 120.710 120.400 0.014 0.000 2.057 39 K HA -0.114 4.322 4.320 0.193 0.000 0.207 39 K C 1.613 178.223 176.600 0.018 0.000 1.049 39 K CA 1.095 57.391 56.287 0.014 0.000 0.931 39 K CB 0.042 32.550 32.500 0.012 0.000 0.714 39 K HN 0.072 nan 8.250 nan 0.000 0.440 40 D N 0.669 121.079 120.400 0.018 0.000 2.178 40 D HA -0.138 4.617 4.640 0.193 0.000 0.202 40 D C 1.717 178.032 176.300 0.025 0.000 0.974 40 D CA 1.005 55.017 54.000 0.021 0.000 0.841 40 D CB 0.023 40.834 40.800 0.018 0.000 0.953 40 D HN 0.154 nan 8.370 nan 0.000 0.478 41 K N 0.723 121.137 120.400 0.024 0.000 2.057 41 K HA -0.082 4.354 4.320 0.193 0.000 0.207 41 K C 1.985 178.606 176.600 0.034 0.000 1.049 41 K CA 1.186 57.491 56.287 0.030 0.000 0.931 41 K CB 0.007 32.524 32.500 0.028 0.000 0.714 41 K HN 0.010 nan 8.250 nan 0.000 0.440 42 A N 1.312 124.147 122.820 0.025 0.000 1.902 42 A HA -0.153 4.283 4.320 0.193 0.000 0.217 42 A C 2.029 179.633 177.584 0.034 0.000 1.181 42 A CA 1.321 53.370 52.037 0.020 0.000 0.623 42 A CB -0.584 18.422 19.000 0.010 0.000 0.818 42 A HN 0.389 nan 8.150 nan 0.000 0.443 43 L N -0.786 120.460 121.223 0.038 0.000 2.093 43 L HA -0.055 4.401 4.340 0.193 0.000 0.208 43 L C 2.203 179.108 176.870 0.058 0.000 1.085 43 L CA 1.876 56.747 54.840 0.052 0.000 0.755 43 L CB -0.666 41.420 42.059 0.045 0.000 0.904 43 L HN 0.359 nan 8.230 nan 0.000 0.435 44 L N -0.473 120.780 121.223 0.050 0.000 2.017 44 L HA -0.239 4.217 4.340 0.193 0.000 0.208 44 L C 2.459 179.374 176.870 0.075 0.000 1.073 44 L CA 1.837 56.706 54.840 0.048 0.000 0.745 44 L CB -0.693 41.390 42.059 0.040 0.000 0.894 44 L HN 0.423 nan 8.230 nan 0.000 0.432 45 Q N -0.786 119.079 119.800 0.107 0.000 2.084 45 Q HA -0.274 4.182 4.340 0.193 0.000 0.202 45 Q C 2.144 178.275 176.000 0.218 0.000 0.978 45 Q CA 1.765 57.696 55.803 0.213 0.000 0.844 45 Q CB -0.199 28.623 28.738 0.141 0.000 0.898 45 Q HN 0.584 nan 8.270 nan 0.000 0.426 46 E N 0.966 121.229 120.200 0.106 0.000 2.085 46 E HA -0.184 4.281 4.350 0.193 0.000 0.194 46 E C 1.728 178.343 176.600 0.025 0.000 0.994 46 E CA 1.216 57.672 56.400 0.094 0.000 0.801 46 E CB -0.239 29.530 29.700 0.114 0.000 0.743 46 E HN 0.315 nan 8.360 nan 0.000 0.453 47 L N -0.397 120.830 121.223 0.007 0.000 2.027 47 L HA -0.198 4.258 4.340 0.193 0.000 0.206 47 L C 2.680 179.426 176.870 -0.207 0.000 1.074 47 L CA 1.212 55.977 54.840 -0.124 0.000 0.745 47 L CB -0.595 41.457 42.059 -0.012 0.000 0.898 47 L HN 0.332 nan 8.230 nan 0.000 0.433 48 C N -0.460 118.792 119.300 -0.079 0.000 2.442 48 C HA -0.159 4.417 4.460 0.193 0.000 0.279 48 C C 2.668 177.557 174.990 -0.168 0.000 1.237 48 C CA 0.497 59.438 59.018 -0.128 0.000 1.722 48 C CB -0.947 26.720 27.740 -0.122 0.000 2.056 48 C HN 0.381 nan 8.230 nan 0.000 0.469 49 F N 1.418 121.296 119.950 -0.121 0.000 2.171 49 F HA -0.022 4.622 4.527 0.196 0.000 0.300 49 F C 2.530 178.227 175.800 -0.172 0.000 1.090 49 F CA 1.707 59.648 58.000 -0.099 0.000 1.293 49 F CB -0.967 37.992 39.000 -0.069 0.000 1.013 49 F HN 0.314 nan 8.300 nan 0.000 0.486 50 G N -0.457 108.242 108.800 -0.168 0.000 2.402 50 G HA2 -0.174 3.902 3.960 0.193 0.000 0.216 50 G HA3 -0.174 3.902 3.960 0.193 0.000 0.216 50 G C 1.777 176.322 174.900 -0.592 0.000 1.162 50 G CA 1.029 45.822 45.100 -0.512 0.000 0.777 50 G HN 0.233 nan 8.290 nan 0.000 0.539 51 V N 0.886 120.436 119.914 -0.605 0.000 2.358 51 V HA -0.093 4.143 4.120 0.193 0.000 0.246 51 V C 2.913 178.947 176.094 -0.100 0.000 1.047 51 V CA 1.353 63.483 62.300 -0.284 0.000 1.035 51 V CB -0.347 31.352 31.823 -0.207 0.000 0.658 51 V HN 0.332 nan 8.190 nan 0.000 0.452 52 L N -0.261 120.920 121.223 -0.070 0.000 2.083 52 L HA -0.167 4.289 4.340 0.193 0.000 0.209 52 L C 2.707 179.734 176.870 0.261 0.000 1.083 52 L CA 1.826 56.725 54.840 0.099 0.000 0.752 52 L CB -0.621 41.488 42.059 0.083 0.000 0.899 52 L HN 0.276 nan 8.230 nan 0.000 0.433 53 R N 0.280 120.853 120.500 0.123 0.000 2.092 53 R HA -0.141 4.314 4.340 0.193 0.000 0.231 53 R C 1.761 178.156 176.300 0.158 0.000 1.119 53 R CA 1.856 58.032 56.100 0.127 0.000 0.970 53 R CB -0.153 30.182 30.300 0.058 0.000 0.864 53 R HN 0.430 nan 8.270 nan 0.000 0.440 54 T N -1.574 113.053 114.554 0.121 0.000 3.176 54 T HA 0.086 4.551 4.350 0.193 0.000 0.263 54 T C 1.479 176.279 174.700 0.166 0.000 1.021 54 T CA -0.276 61.913 62.100 0.149 0.000 0.905 54 T CB 0.317 69.257 68.868 0.119 0.000 1.057 54 T HN 0.152 nan 8.240 nan 0.000 0.558 55 L N 1.974 123.291 121.223 0.157 0.000 2.081 55 L HA -0.045 4.411 4.340 0.193 0.000 0.212 55 L C 2.454 179.350 176.870 0.043 0.000 1.080 55 L CA 1.632 56.456 54.840 -0.027 0.000 0.754 55 L CB -0.878 40.928 42.059 -0.421 0.000 0.893 55 L HN 0.298 nan 8.230 nan 0.000 0.433 56 S N -0.930 114.935 115.700 0.275 0.000 2.370 56 S HA -0.306 4.280 4.470 0.193 0.000 0.226 56 S C 1.870 176.650 174.600 0.301 0.000 1.033 56 S CA 1.704 60.111 58.200 0.345 0.000 1.011 56 S CB -0.353 63.117 63.200 0.451 0.000 0.852 56 S HN 0.642 nan 8.310 nan 0.000 0.457 57 Q N 0.588 120.501 119.800 0.188 0.000 2.049 57 Q HA -0.015 4.441 4.340 0.193 0.000 0.198 57 Q C 2.118 178.062 176.000 -0.093 0.000 0.971 57 Q CA 1.025 56.708 55.803 -0.199 0.000 0.833 57 Q CB -0.179 28.278 28.738 -0.467 0.000 0.896 57 Q HN 0.490 nan 8.270 nan 0.000 0.434 58 L N 0.509 121.712 121.223 -0.033 0.000 2.046 58 L HA -0.184 4.272 4.340 0.193 0.000 0.208 58 L C 2.167 178.998 176.870 -0.065 0.000 1.077 58 L CA 1.523 56.316 54.840 -0.078 0.000 0.747 58 L CB -0.542 41.469 42.059 -0.081 0.000 0.896 58 L HN 0.339 nan 8.230 nan 0.000 0.432 59 D N -0.613 119.781 120.400 -0.011 0.000 2.117 59 D HA -0.258 4.498 4.640 0.193 0.000 0.198 59 D C 2.042 178.415 176.300 0.122 0.000 0.982 59 D CA 0.996 55.013 54.000 0.027 0.000 0.828 59 D CB -0.136 40.687 40.800 0.037 0.000 0.967 59 D HN 0.304 nan 8.370 nan 0.000 0.464 60 W N 0.703 122.016 121.300 0.021 0.000 2.338 60 W HA -0.143 4.633 4.660 0.193 0.000 0.304 60 W C 1.840 178.376 176.519 0.029 0.000 1.212 60 W CA 1.379 58.771 57.345 0.078 0.000 1.264 60 W CB -0.264 29.317 29.460 0.202 0.000 1.142 60 W HN 0.034 nan 8.180 nan 0.000 0.512 61 L N -0.080 121.303 121.223 0.267 0.000 2.027 61 L HA -0.282 4.174 4.340 0.193 0.000 0.206 61 L C 2.425 179.267 176.870 -0.046 0.000 1.074 61 L CA 0.911 55.822 54.840 0.117 0.000 0.745 61 L CB -1.022 41.066 42.059 0.048 0.000 0.898 61 L HN -0.012 nan 8.230 nan 0.000 0.433 62 I N 0.384 120.917 120.570 -0.062 0.000 2.194 62 I HA -0.307 3.979 4.170 0.193 0.000 0.246 62 I C 2.144 178.219 176.117 -0.069 0.000 1.093 62 I CA 1.555 62.816 61.300 -0.064 0.000 1.355 62 I CB -1.265 36.708 38.000 -0.046 0.000 1.046 62 I HN 0.395 nan 8.210 nan 0.000 0.413 63 N N 0.807 119.443 118.700 -0.106 0.000 2.309 63 N HA -0.133 4.723 4.740 0.193 0.000 0.182 63 N C 1.658 177.036 175.510 -0.219 0.000 1.018 63 N CA 0.817 53.777 53.050 -0.150 0.000 0.876 63 N CB -0.096 38.295 38.487 -0.161 0.000 0.972 63 N HN 0.341 nan 8.380 nan 0.000 0.434 64 K N 0.401 120.616 120.400 -0.309 0.000 2.305 64 K HA 0.164 4.599 4.320 0.193 0.000 0.199 64 K C 1.807 178.328 176.600 -0.132 0.000 1.047 64 K CA 0.253 56.361 56.287 -0.298 0.000 0.976 64 K CB 0.209 32.434 32.500 -0.458 0.000 0.765 64 K HN 0.240 nan 8.250 nan 0.000 0.474 65 L N -0.433 120.742 121.223 -0.080 0.000 2.357 65 L HA 0.199 4.654 4.340 0.193 0.000 0.211 65 L C 0.806 177.661 176.870 -0.025 0.000 1.075 65 L CA 0.282 55.108 54.840 -0.022 0.000 0.830 65 L CB 0.137 42.207 42.059 0.019 0.000 0.996 65 L HN -0.024 nan 8.230 nan 0.000 0.467 66 M N -0.726 118.852 119.600 -0.037 0.000 2.181 66 M HA 0.356 4.952 4.480 0.193 0.000 0.323 66 M C 0.834 177.112 176.300 -0.037 0.000 1.004 66 M CA -0.354 54.929 55.300 -0.027 0.000 0.941 66 M CB 1.987 34.578 32.600 -0.016 0.000 1.579 66 M HN -0.039 nan 8.290 nan 0.000 0.427 67 A N 3.637 126.438 122.820 -0.031 0.000 1.933 67 A HA -0.018 4.417 4.320 0.193 0.000 0.218 67 A C 0.903 178.467 177.584 -0.034 0.000 1.175 67 A CA 1.310 53.327 52.037 -0.034 0.000 0.628 67 A CB 0.053 19.037 19.000 -0.026 0.000 0.814 67 A HN 0.790 nan 8.150 nan 0.000 0.444 68 R N 0.032 120.515 120.500 -0.029 0.000 2.407 68 R HA 0.372 4.828 4.340 0.193 0.000 0.298 68 R C -2.966 173.314 176.300 -0.033 0.000 1.166 68 R CA -1.811 54.270 56.100 -0.033 0.000 1.006 68 R CB 1.058 31.343 30.300 -0.026 0.000 1.145 68 R HN 0.159 nan 8.270 nan 0.000 0.538 69 P HA -0.006 nan 4.420 nan 0.000 0.269 69 P C -0.211 177.051 177.300 -0.064 0.000 1.217 69 P CA -0.052 63.023 63.100 -0.041 0.000 0.783 69 P CB 0.603 32.240 31.700 -0.106 0.000 0.898 70 M N 1.745 121.329 119.600 -0.026 0.000 2.217 70 M HA 0.200 4.796 4.480 0.193 0.000 0.352 70 M C 0.692 176.934 176.300 -0.096 0.000 1.376 70 M CA 0.590 55.873 55.300 -0.029 0.000 1.107 70 M CB -0.607 32.009 32.600 0.027 0.000 1.723 70 M HN 0.478 nan 8.290 nan 0.000 0.461 71 T N -0.548 113.965 114.554 -0.067 0.000 2.804 71 T HA 0.835 5.300 4.350 0.193 0.000 0.290 71 T C 0.651 175.335 174.700 -0.028 0.000 1.099 71 T CA -0.086 61.971 62.100 -0.073 0.000 1.011 71 T CB 1.687 70.506 68.868 -0.082 0.000 1.291 71 T HN 0.940 nan 8.240 nan 0.000 0.523 72 G N 1.419 110.208 108.800 -0.019 0.000 2.660 72 G HA2 -0.377 3.699 3.960 0.193 0.000 0.321 72 G HA3 -0.377 3.699 3.960 0.193 0.000 0.321 72 G C 0.831 175.736 174.900 0.007 0.000 1.246 72 G CA 0.850 45.947 45.100 -0.005 0.000 1.000 72 G HN 1.007 nan 8.290 nan 0.000 0.550 73 K N 0.831 121.235 120.400 0.006 0.000 2.360 73 K HA -0.071 4.364 4.320 0.193 0.000 0.201 73 K C 1.964 178.574 176.600 0.018 0.000 1.046 73 K CA 1.558 57.852 56.287 0.011 0.000 0.940 73 K CB -0.078 32.426 32.500 0.007 0.000 0.748 73 K HN 0.455 nan 8.250 nan 0.000 0.465 74 Q N -0.027 119.783 119.800 0.017 0.000 2.188 74 Q HA 0.081 4.537 4.340 0.193 0.000 0.212 74 Q C 1.138 177.167 176.000 0.048 0.000 0.846 74 Q CA 0.050 55.869 55.803 0.027 0.000 0.989 74 Q CB 0.839 29.586 28.738 0.016 0.000 1.114 74 Q HN 0.056 nan 8.270 nan 0.000 0.488 75 R N 1.218 121.753 120.500 0.058 0.000 2.120 75 R HA -0.053 4.402 4.340 0.193 0.000 0.234 75 R C 1.659 178.090 176.300 0.218 0.000 1.123 75 R CA 1.771 57.935 56.100 0.107 0.000 0.975 75 R CB -0.610 29.757 30.300 0.113 0.000 0.866 75 R HN 0.117 nan 8.270 nan 0.000 0.446 76 T N -0.285 114.369 114.554 0.166 0.000 2.833 76 T HA -0.090 4.376 4.350 0.193 0.000 0.269 76 T C 1.730 176.527 174.700 0.162 0.000 1.054 76 T CA 1.378 63.590 62.100 0.187 0.000 1.135 76 T CB -0.191 68.733 68.868 0.094 0.000 0.869 76 T HN 0.020 nan 8.240 nan 0.000 0.466 77 V N 1.092 121.069 119.914 0.104 0.000 2.407 77 V HA -0.215 4.020 4.120 0.193 0.000 0.248 77 V C 2.245 178.367 176.094 0.045 0.000 1.055 77 V CA 1.999 64.337 62.300 0.062 0.000 1.049 77 V CB -0.752 31.096 31.823 0.042 0.000 0.662 77 V HN 0.568 nan 8.190 nan 0.000 0.455 78 H N -0.355 118.671 119.070 -0.074 0.000 2.319 78 H HA -0.213 4.458 4.556 0.193 0.000 0.299 78 H C 2.103 177.254 175.328 -0.294 0.000 1.092 78 H CA 2.287 58.202 56.048 -0.222 0.000 1.302 78 H CB -0.365 29.194 29.762 -0.337 0.000 1.373 78 H HN 0.475 nan 8.280 nan 0.000 0.497 79 Y N -0.763 119.506 120.300 -0.052 0.000 2.293 79 Y HA -0.100 4.565 4.550 0.193 0.000 0.291 79 Y C 2.425 178.255 175.900 -0.116 0.000 1.137 79 Y CA 0.898 58.920 58.100 -0.131 0.000 1.202 79 Y CB -0.376 38.051 38.460 -0.056 0.000 0.990 79 Y HN 0.268 nan 8.280 nan 0.000 0.537 80 L N 0.122 121.374 121.223 0.048 0.000 2.056 80 L HA -0.163 4.292 4.340 0.193 0.000 0.207 80 L C 1.988 178.835 176.870 -0.038 0.000 1.078 80 L CA 1.588 56.436 54.840 0.015 0.000 0.749 80 L CB -0.731 41.343 42.059 0.025 0.000 0.901 80 L HN 0.206 nan 8.230 nan 0.000 0.433 81 I N -1.176 119.342 120.570 -0.087 0.000 2.226 81 I HA -0.347 3.938 4.170 0.193 0.000 0.245 81 I C 2.460 178.482 176.117 -0.159 0.000 1.100 81 I CA 1.600 62.831 61.300 -0.116 0.000 1.374 81 I CB -0.308 37.612 38.000 -0.133 0.000 1.057 81 I HN 0.290 nan 8.210 nan 0.000 0.413 82 M N -0.194 119.268 119.600 -0.229 0.000 2.159 82 M HA -0.179 4.417 4.480 0.193 0.000 0.263 82 M C 2.417 178.678 176.300 -0.066 0.000 1.063 82 M CA 1.453 56.631 55.300 -0.203 0.000 1.110 82 M CB -0.448 31.979 32.600 -0.290 0.000 1.374 82 M HN 0.118 nan 8.290 nan 0.000 0.411 83 V N 0.371 120.268 119.914 -0.028 0.000 2.407 83 V HA -0.200 4.036 4.120 0.193 0.000 0.248 83 V C 2.590 178.719 176.094 0.059 0.000 1.055 83 V CA 2.176 64.497 62.300 0.036 0.000 1.049 83 V CB -1.543 30.294 31.823 0.023 0.000 0.662 83 V HN 0.623 nan 8.190 nan 0.000 0.455 84 G N -0.174 108.625 108.800 -0.002 0.000 2.421 84 G HA2 -0.212 3.864 3.960 0.193 0.000 0.216 84 G HA3 -0.212 3.864 3.960 0.193 0.000 0.216 84 G C 1.572 176.438 174.900 -0.057 0.000 1.171 84 G CA 0.981 46.071 45.100 -0.016 0.000 0.775 84 G HN 0.468 nan 8.290 nan 0.000 0.543 85 L N -0.976 120.161 121.223 -0.143 0.000 2.046 85 L HA -0.094 4.362 4.340 0.193 0.000 0.208 85 L C 2.588 179.357 176.870 -0.169 0.000 1.077 85 L CA 1.289 55.941 54.840 -0.315 0.000 0.747 85 L CB -0.550 41.233 42.059 -0.460 0.000 0.896 85 L HN 0.293 nan 8.230 nan 0.000 0.432 86 Y N 1.022 121.265 120.300 -0.095 0.000 2.165 86 Y HA -0.332 4.334 4.550 0.192 0.000 0.286 86 Y C 2.694 178.629 175.900 0.060 0.000 1.155 86 Y CA 1.818 59.947 58.100 0.048 0.000 1.164 86 Y CB -0.209 38.289 38.460 0.063 0.000 0.978 86 Y HN 0.197 nan 8.280 nan 0.000 0.513 87 Q N -0.178 119.643 119.800 0.036 0.000 2.084 87 Q HA -0.179 4.277 4.340 0.193 0.000 0.202 87 Q C 2.288 178.224 176.000 -0.107 0.000 0.978 87 Q CA 1.947 57.734 55.803 -0.026 0.000 0.844 87 Q CB -0.251 28.510 28.738 0.038 0.000 0.898 87 Q HN 0.518 nan 8.270 nan 0.000 0.426 88 L N -0.060 121.110 121.223 -0.089 0.000 2.141 88 L HA -0.168 4.287 4.340 0.193 0.000 0.209 88 L C 2.096 178.894 176.870 -0.119 0.000 1.094 88 L CA 0.858 55.673 54.840 -0.041 0.000 0.763 88 L CB -0.208 41.908 42.059 0.095 0.000 0.908 88 L HN 0.256 nan 8.230 nan 0.000 0.437 89 L N -2.305 118.745 121.223 -0.288 0.000 2.249 89 L HA -0.079 4.377 4.340 0.193 0.000 0.207 89 L C 1.322 177.699 176.870 -0.822 0.000 1.090 89 L CA 0.719 55.220 54.840 -0.566 0.000 0.802 89 L CB 0.101 41.677 42.059 -0.805 0.000 0.947 89 L HN 0.181 nan 8.230 nan 0.000 0.453 90 Y N -1.419 118.633 120.300 -0.414 0.000 2.563 90 Y HA 0.177 4.843 4.550 0.193 0.000 0.250 90 Y C 0.910 176.630 175.900 -0.300 0.000 1.126 90 Y CA -0.598 57.241 58.100 -0.434 0.000 1.231 90 Y CB 0.420 38.404 38.460 -0.793 0.000 1.288 90 Y HN 0.010 nan 8.280 nan 0.000 0.537 91 T N -3.108 111.366 114.554 -0.134 0.000 2.888 91 T HA 0.495 4.960 4.350 0.193 0.000 0.288 91 T C 0.410 175.085 174.700 -0.043 0.000 1.063 91 T CA -0.953 61.122 62.100 -0.042 0.000 1.010 91 T CB 2.100 70.966 68.868 -0.003 0.000 1.214 91 T HN 0.098 nan 8.240 nan 0.000 0.533 92 R N 0.050 120.538 120.500 -0.020 0.000 2.466 92 R HA 0.377 4.833 4.340 0.193 0.000 0.279 92 R C 0.013 176.295 176.300 -0.030 0.000 0.976 92 R CA -0.300 55.785 56.100 -0.024 0.000 1.081 92 R CB -0.229 30.064 30.300 -0.012 0.000 1.215 92 R HN 0.582 nan 8.270 nan 0.000 0.546 93 I N 3.018 123.567 120.570 -0.034 0.000 2.683 93 I HA 0.016 4.302 4.170 0.193 0.000 0.286 93 I C -1.914 174.146 176.117 -0.095 0.000 1.175 93 I CA -1.716 59.552 61.300 -0.053 0.000 1.429 93 I CB 0.393 38.370 38.000 -0.039 0.000 1.371 93 I HN -0.247 nan 8.210 nan 0.000 0.569 94 P HA -0.019 nan 4.420 nan 0.000 0.260 94 P C -2.025 175.094 177.300 -0.301 0.000 1.172 94 P CA -0.683 62.272 63.100 -0.243 0.000 0.760 94 P CB 0.088 31.543 31.700 -0.409 0.000 0.773 95 P HA -0.237 nan 4.420 nan 0.000 0.216 95 P C 1.428 178.689 177.300 -0.064 0.000 1.150 95 P CA 1.526 64.587 63.100 -0.065 0.000 0.843 95 P CB -0.467 31.241 31.700 0.013 0.000 0.787 96 H N -1.132 117.947 119.070 0.014 0.000 2.421 96 H HA 0.061 4.733 4.556 0.193 0.000 0.298 96 H C 1.679 177.016 175.328 0.015 0.000 1.087 96 H CA 1.502 57.558 56.048 0.013 0.000 1.330 96 H CB -0.939 28.828 29.762 0.009 0.000 1.388 96 H HN 0.041 nan 8.280 nan 0.000 0.526 97 A N 1.797 124.357 122.820 -0.433 0.000 1.898 97 A HA 0.182 4.617 4.320 0.193 0.000 0.214 97 A C 2.777 180.308 177.584 -0.088 0.000 1.183 97 A CA 1.398 53.319 52.037 -0.193 0.000 0.622 97 A CB -0.853 17.991 19.000 -0.261 0.000 0.824 97 A HN 0.569 nan 8.150 nan 0.000 0.444 98 A N -0.395 122.365 122.820 -0.100 0.000 1.908 98 A HA -0.051 4.384 4.320 0.193 0.000 0.218 98 A C 2.066 179.646 177.584 -0.007 0.000 1.181 98 A CA 1.733 53.747 52.037 -0.037 0.000 0.627 98 A CB -0.582 18.398 19.000 -0.033 0.000 0.818 98 A HN 0.398 nan 8.150 nan 0.000 0.445 99 L N -0.467 120.758 121.223 0.003 0.000 2.017 99 L HA -0.120 4.335 4.340 0.193 0.000 0.208 99 L C 3.019 179.906 176.870 0.027 0.000 1.073 99 L CA 1.921 56.777 54.840 0.026 0.000 0.745 99 L CB -0.753 41.334 42.059 0.046 0.000 0.894 99 L HN 0.391 nan 8.230 nan 0.000 0.432 100 A N -1.035 121.805 122.820 0.034 0.000 1.883 100 A HA -0.200 4.236 4.320 0.193 0.000 0.217 100 A C 2.226 179.825 177.584 0.025 0.000 1.186 100 A CA 1.658 53.717 52.037 0.037 0.000 0.624 100 A CB -0.451 18.581 19.000 0.053 0.000 0.822 100 A HN 0.426 nan 8.150 nan 0.000 0.444 101 E N -0.593 119.617 120.200 0.018 0.000 2.106 101 E HA -0.103 4.363 4.350 0.193 0.000 0.192 101 E C 2.116 178.726 176.600 0.017 0.000 0.984 101 E CA 1.607 58.016 56.400 0.016 0.000 0.806 101 E CB -0.563 29.145 29.700 0.012 0.000 0.750 101 E HN 0.616 nan 8.360 nan 0.000 0.458 102 T N 1.067 115.630 114.554 0.016 0.000 2.812 102 T HA -0.066 4.400 4.350 0.193 0.000 0.264 102 T C 2.179 176.887 174.700 0.014 0.000 1.042 102 T CA 0.853 62.962 62.100 0.015 0.000 1.140 102 T CB -0.134 68.741 68.868 0.011 0.000 0.870 102 T HN -0.042 nan 8.240 nan 0.000 0.445 103 V N 1.435 121.359 119.914 0.016 0.000 2.343 103 V HA -0.112 4.123 4.120 0.193 0.000 0.247 103 V C 2.633 178.736 176.094 0.016 0.000 1.051 103 V CA 1.601 63.910 62.300 0.016 0.000 1.036 103 V CB -0.528 31.307 31.823 0.020 0.000 0.654 103 V HN 0.335 nan 8.190 nan 0.000 0.451 104 E N 0.864 121.075 120.200 0.017 0.000 2.204 104 E HA -0.120 4.345 4.350 0.193 0.000 0.195 104 E C 2.177 178.786 176.600 0.015 0.000 0.990 104 E CA 1.082 57.492 56.400 0.016 0.000 0.821 104 E CB -0.776 28.934 29.700 0.017 0.000 0.750 104 E HN 0.534 nan 8.360 nan 0.000 0.477 105 G N 0.035 108.844 108.800 0.015 0.000 2.498 105 G HA2 -0.219 3.857 3.960 0.193 0.000 0.219 105 G HA3 -0.219 3.857 3.960 0.193 0.000 0.219 105 G C 1.585 176.494 174.900 0.016 0.000 1.119 105 G CA 0.799 45.908 45.100 0.015 0.000 0.766 105 G HN 0.400 nan 8.290 nan 0.000 0.552 106 A N 0.935 123.764 122.820 0.015 0.000 2.019 106 A HA -0.003 4.433 4.320 0.193 0.000 0.219 106 A C 2.275 179.868 177.584 0.014 0.000 1.164 106 A CA 1.576 53.622 52.037 0.015 0.000 0.644 106 A CB -0.267 18.742 19.000 0.014 0.000 0.805 106 A HN 0.716 nan 8.150 nan 0.000 0.449 107 I N -1.266 119.311 120.570 0.013 0.000 2.286 107 I HA 0.024 4.310 4.170 0.193 0.000 0.245 107 I C 2.212 178.336 176.117 0.011 0.000 1.104 107 I CA 1.685 62.992 61.300 0.011 0.000 1.397 107 I CB -0.540 37.466 38.000 0.010 0.000 1.072 107 I HN 0.129 nan 8.210 nan 0.000 0.417 108 A N 1.567 124.393 122.820 0.011 0.000 2.014 108 A HA 0.026 4.462 4.320 0.193 0.000 0.218 108 A C 2.186 179.776 177.584 0.010 0.000 1.163 108 A CA 1.521 53.564 52.037 0.010 0.000 0.652 108 A CB -1.217 17.789 19.000 0.009 0.000 0.808 108 A HN 0.754 nan 8.150 nan 0.000 0.449 109 I N -5.245 115.333 120.570 0.013 0.000 3.749 109 I HA 0.165 4.451 4.170 0.193 0.000 0.314 109 I C -0.056 176.070 176.117 0.015 0.000 1.267 109 I CA -0.110 61.200 61.300 0.015 0.000 1.169 109 I CB 0.082 38.096 38.000 0.023 0.000 1.009 109 I HN -0.075 nan 8.210 nan 0.000 0.444 110 K N 1.481 121.888 120.400 0.012 0.000 3.129 110 K HA -0.152 4.284 4.320 0.193 0.000 0.273 110 K C -0.316 176.291 176.600 0.012 0.000 1.123 110 K CA 0.608 56.901 56.287 0.011 0.000 0.800 110 K CB -1.732 30.773 32.500 0.009 0.000 1.238 110 K HN 0.569 nan 8.250 nan 0.000 0.492 111 R N -0.603 119.905 120.500 0.014 0.000 2.795 111 R HA 0.162 4.618 4.340 0.193 0.000 0.320 111 R C -1.848 174.459 176.300 0.013 0.000 1.223 111 R CA -1.368 54.740 56.100 0.014 0.000 1.305 111 R CB 0.655 30.966 30.300 0.018 0.000 1.318 111 R HN -0.014 nan 8.270 nan 0.000 0.636 112 P HA -0.159 nan 4.420 nan 0.000 0.223 112 P C 1.181 178.487 177.300 0.010 0.000 1.151 112 P CA 0.950 64.056 63.100 0.010 0.000 0.787 112 P CB 0.332 32.037 31.700 0.009 0.000 0.788 113 Q N -0.636 119.169 119.800 0.009 0.000 2.488 113 Q HA -0.056 4.400 4.340 0.193 0.000 0.211 113 Q C 1.300 177.305 176.000 0.008 0.000 0.967 113 Q CA 0.936 56.744 55.803 0.008 0.000 0.926 113 Q CB -0.744 27.998 28.738 0.007 0.000 0.992 113 Q HN 0.251 nan 8.270 nan 0.000 0.506 114 L N 0.614 121.843 121.223 0.010 0.000 2.628 114 L HA 0.175 4.631 4.340 0.193 0.000 0.229 114 L C 1.732 178.608 176.870 0.010 0.000 1.137 114 L CA 0.335 55.181 54.840 0.010 0.000 0.909 114 L CB -0.188 41.878 42.059 0.012 0.000 1.137 114 L HN 0.190 nan 8.230 nan 0.000 0.470 115 K N 0.368 120.775 120.400 0.011 0.000 2.044 115 K HA -0.167 4.268 4.320 0.193 0.000 0.210 115 K C 2.055 178.662 176.600 0.012 0.000 1.049 115 K CA 1.594 57.888 56.287 0.012 0.000 0.927 115 K CB -0.231 32.276 32.500 0.012 0.000 0.713 115 K HN 0.387 nan 8.250 nan 0.000 0.443 116 G N 1.634 110.440 108.800 0.011 0.000 2.418 116 G HA2 -0.255 3.821 3.960 0.193 0.000 0.217 116 G HA3 -0.255 3.821 3.960 0.193 0.000 0.217 116 G C 1.490 176.396 174.900 0.011 0.000 1.158 116 G CA 0.628 45.734 45.100 0.011 0.000 0.771 116 G HN 0.237 nan 8.290 nan 0.000 0.545 117 L N 0.038 121.266 121.223 0.009 0.000 2.056 117 L HA 0.059 4.514 4.340 0.193 0.000 0.207 117 L C 2.739 179.614 176.870 0.009 0.000 1.078 117 L CA 1.119 55.964 54.840 0.008 0.000 0.749 117 L CB -0.182 41.881 42.059 0.006 0.000 0.901 117 L HN 0.226 nan 8.230 nan 0.000 0.433 118 I N 0.277 120.852 120.570 0.008 0.000 2.179 118 I HA -0.339 3.947 4.170 0.193 0.000 0.242 118 I C 2.298 178.423 176.117 0.012 0.000 1.088 118 I CA 1.814 63.117 61.300 0.006 0.000 1.357 118 I CB -0.540 37.464 38.000 0.006 0.000 1.051 118 I HN 0.428 nan 8.210 nan 0.000 0.409 119 N N 1.057 119.767 118.700 0.017 0.000 2.069 119 N HA -0.157 4.699 4.740 0.193 0.000 0.191 119 N C 1.921 177.448 175.510 0.027 0.000 1.031 119 N CA 1.876 54.940 53.050 0.023 0.000 0.852 119 N CB -0.420 38.080 38.487 0.022 0.000 1.018 119 N HN 0.297 nan 8.380 nan 0.000 0.423 120 G N -0.133 108.679 108.800 0.021 0.000 2.446 120 G HA2 -0.204 3.872 3.960 0.193 0.000 0.217 120 G HA3 -0.204 3.872 3.960 0.193 0.000 0.217 120 G C 1.568 176.486 174.900 0.030 0.000 1.168 120 G CA 1.151 46.264 45.100 0.022 0.000 0.771 120 G HN 0.255 nan 8.290 nan 0.000 0.551 121 V N 0.902 120.832 119.914 0.026 0.000 2.358 121 V HA -0.100 4.135 4.120 0.193 0.000 0.246 121 V C 2.908 179.041 176.094 0.065 0.000 1.047 121 V CA 1.427 63.746 62.300 0.033 0.000 1.035 121 V CB -0.406 31.422 31.823 0.009 0.000 0.658 121 V HN 0.338 nan 8.190 nan 0.000 0.452 122 L N -0.793 120.465 121.223 0.058 0.000 2.093 122 L HA -0.103 4.353 4.340 0.193 0.000 0.208 122 L C 2.844 179.800 176.870 0.143 0.000 1.085 122 L CA 1.160 56.061 54.840 0.101 0.000 0.755 122 L CB -0.591 41.504 42.059 0.059 0.000 0.904 122 L HN 0.212 nan 8.230 nan 0.000 0.435 123 R N 0.038 120.588 120.500 0.084 0.000 2.092 123 R HA -0.177 4.278 4.340 0.193 0.000 0.231 123 R C 2.103 178.435 176.300 0.052 0.000 1.119 123 R CA 1.227 57.364 56.100 0.062 0.000 0.970 123 R CB -0.621 29.701 30.300 0.037 0.000 0.864 123 R HN 0.501 nan 8.270 nan 0.000 0.440 124 Q N -0.144 119.693 119.800 0.061 0.000 2.084 124 Q HA -0.175 4.281 4.340 0.193 0.000 0.202 124 Q C 1.950 177.987 176.000 0.062 0.000 0.978 124 Q CA 1.550 57.381 55.803 0.047 0.000 0.844 124 Q CB -0.234 28.531 28.738 0.045 0.000 0.898 124 Q HN 0.315 nan 8.270 nan 0.000 0.426 125 F N 1.089 121.031 119.950 -0.014 0.000 2.134 125 F HA -0.222 4.421 4.527 0.193 0.000 0.299 125 F C 2.185 177.978 175.800 -0.012 0.000 1.097 125 F CA 1.764 59.756 58.000 -0.013 0.000 1.264 125 F CB -0.057 38.931 39.000 -0.021 0.000 1.001 125 F HN 0.135 nan 8.300 nan 0.000 0.479 126 Q N 0.154 119.872 119.800 -0.138 0.000 2.096 126 Q HA -0.217 4.238 4.340 0.193 0.000 0.204 126 Q C 2.307 178.165 176.000 -0.236 0.000 0.982 126 Q CA 1.820 57.479 55.803 -0.240 0.000 0.850 126 Q CB -0.280 28.434 28.738 -0.038 0.000 0.901 126 Q HN 0.488 nan 8.270 nan 0.000 0.422 127 R N 0.286 120.704 120.500 -0.136 0.000 2.120 127 R HA -0.130 4.326 4.340 0.193 0.000 0.234 127 R C 1.475 177.699 176.300 -0.127 0.000 1.123 127 R CA 1.174 57.214 56.100 -0.101 0.000 0.975 127 R CB 0.058 30.328 30.300 -0.051 0.000 0.866 127 R HN 0.360 nan 8.270 nan 0.000 0.446 128 Q N -0.602 119.095 119.800 -0.172 0.000 2.194 128 Q HA 0.047 4.502 4.340 0.193 0.000 0.214 128 Q C 1.356 177.225 176.000 -0.218 0.000 0.838 128 Q CA -0.205 55.517 55.803 -0.136 0.000 0.972 128 Q CB 0.857 29.563 28.738 -0.053 0.000 1.131 128 Q HN 0.277 nan 8.270 nan 0.000 0.498 129 Q N 2.097 121.615 119.800 -0.471 0.000 2.062 129 Q HA -0.318 4.138 4.340 0.193 0.000 0.209 129 Q C 1.903 177.768 176.000 -0.225 0.000 0.996 129 Q CA 2.164 57.590 55.803 -0.628 0.000 0.859 129 Q CB 0.090 28.334 28.738 -0.823 0.000 0.920 129 Q HN 0.469 nan 8.270 nan 0.000 0.415 130 E N -0.129 119.976 120.200 -0.158 0.000 2.033 130 E HA -0.272 4.194 4.350 0.193 0.000 0.199 130 E C 1.968 178.563 176.600 -0.010 0.000 1.011 130 E CA 1.721 58.079 56.400 -0.069 0.000 0.815 130 E CB -0.194 29.471 29.700 -0.059 0.000 0.755 130 E HN 0.586 nan 8.360 nan 0.000 0.451 131 E N 0.853 121.054 120.200 0.002 0.000 2.106 131 E HA -0.195 4.270 4.350 0.193 0.000 0.192 131 E C 2.406 179.081 176.600 0.125 0.000 0.984 131 E CA 0.874 57.304 56.400 0.051 0.000 0.806 131 E CB -0.561 29.164 29.700 0.042 0.000 0.750 131 E HN 0.418 nan 8.360 nan 0.000 0.458 132 L N 0.913 122.224 121.223 0.147 0.000 2.083 132 L HA -0.176 4.280 4.340 0.193 0.000 0.209 132 L C 3.183 180.263 176.870 0.350 0.000 1.083 132 L CA 1.486 56.523 54.840 0.328 0.000 0.752 132 L CB -0.820 41.443 42.059 0.340 0.000 0.899 132 L HN 0.223 nan 8.230 nan 0.000 0.433 133 L N -1.188 120.151 121.223 0.194 0.000 2.109 133 L HA 0.106 4.562 4.340 0.193 0.000 0.207 133 L C 2.795 179.737 176.870 0.119 0.000 1.086 133 L CA 1.931 56.864 54.840 0.156 0.000 0.760 133 L CB -1.836 40.276 42.059 0.088 0.000 0.910 133 L HN 0.320 nan 8.230 nan 0.000 0.437 134 A N -0.878 121.995 122.820 0.089 0.000 1.902 134 A HA -0.242 4.194 4.320 0.193 0.000 0.217 134 A C 2.285 179.900 177.584 0.051 0.000 1.181 134 A CA 1.655 53.724 52.037 0.052 0.000 0.623 134 A CB -0.570 18.456 19.000 0.045 0.000 0.818 134 A HN 0.770 nan 8.150 nan 0.000 0.443 135 E N -1.388 118.887 120.200 0.125 0.000 2.072 135 E HA -0.187 4.278 4.350 0.193 0.000 0.191 135 E C 1.753 178.335 176.600 -0.031 0.000 0.985 135 E CA 1.195 57.691 56.400 0.161 0.000 0.801 135 E CB -0.252 29.684 29.700 0.394 0.000 0.750 135 E HN 0.575 nan 8.360 nan 0.000 0.452 136 F N 2.190 121.897 119.950 -0.403 0.000 2.134 136 F HA -0.147 4.495 4.527 0.192 0.000 0.299 136 F C 1.772 177.271 175.800 -0.502 0.000 1.097 136 F CA 1.401 58.836 58.000 -0.943 0.000 1.264 136 F CB -0.242 38.234 39.000 -0.872 0.000 1.001 136 F HN 0.018 nan 8.300 nan 0.000 0.479 137 N N 0.349 118.832 118.700 -0.361 0.000 2.571 137 N HA -0.012 4.844 4.740 0.193 0.000 0.189 137 N C 1.385 176.696 175.510 -0.332 0.000 1.154 137 N CA 0.880 53.707 53.050 -0.373 0.000 0.907 137 N CB -0.118 38.289 38.487 -0.135 0.000 0.977 137 N HN 0.411 nan 8.380 nan 0.000 0.449 138 A N 0.051 122.702 122.820 -0.281 0.000 2.348 138 A HA 0.119 4.555 4.320 0.193 0.000 0.224 138 A C 1.027 178.488 177.584 -0.205 0.000 1.227 138 A CA -0.242 51.687 52.037 -0.180 0.000 0.885 138 A CB 0.144 19.100 19.000 -0.072 0.000 0.933 138 A HN 0.228 nan 8.150 nan 0.000 0.506 139 S N -0.981 114.495 115.700 -0.373 0.000 2.687 139 S HA 0.372 4.958 4.470 0.193 0.000 0.283 139 S C 0.033 174.424 174.600 -0.348 0.000 1.170 139 S CA -0.332 57.689 58.200 -0.298 0.000 1.008 139 S CB 1.161 64.157 63.200 -0.340 0.000 1.026 139 S HN 0.112 nan 8.310 nan 0.000 0.541 140 D N 1.184 121.507 120.400 -0.128 0.000 2.310 140 D HA 0.083 4.839 4.640 0.193 0.000 0.212 140 D C 1.952 178.223 176.300 -0.049 0.000 0.965 140 D CA 1.202 55.196 54.000 -0.009 0.000 0.879 140 D CB -0.529 40.347 40.800 0.126 0.000 0.921 140 D HN 0.719 nan 8.370 nan 0.000 0.510 141 A N 1.187 123.921 122.820 -0.142 0.000 2.178 141 A HA -0.186 4.250 4.320 0.193 0.000 0.218 141 A C 2.057 179.535 177.584 -0.176 0.000 1.157 141 A CA 0.981 53.008 52.037 -0.016 0.000 0.689 141 A CB -0.559 18.534 19.000 0.155 0.000 0.787 141 A HN 0.343 nan 8.150 nan 0.000 0.465 142 R N -1.841 118.229 120.500 -0.716 0.000 2.237 142 R HA -0.113 4.343 4.340 0.193 0.000 0.219 142 R C 0.917 177.049 176.300 -0.280 0.000 1.080 142 R CA 1.431 57.081 56.100 -0.750 0.000 0.995 142 R CB -0.617 29.111 30.300 -0.953 0.000 0.875 142 R HN 0.469 nan 8.270 nan 0.000 0.462 143 Y N 1.251 121.574 120.300 0.038 0.000 2.583 143 Y HA 0.216 4.882 4.550 0.192 0.000 0.293 143 Y C 1.009 177.084 175.900 0.291 0.000 1.157 143 Y CA -0.021 58.164 58.100 0.141 0.000 1.315 143 Y CB -0.015 38.529 38.460 0.140 0.000 1.021 143 Y HN -0.019 nan 8.280 nan 0.000 0.536 144 L N -0.596 120.857 121.223 0.384 0.000 4.232 144 L HA -0.342 4.114 4.340 0.193 0.000 0.415 144 L C -0.420 176.622 176.870 0.287 0.000 1.168 144 L CA 0.605 55.668 54.840 0.371 0.000 0.966 144 L CB -2.379 39.861 42.059 0.301 0.000 2.052 144 L HN 0.415 nan 8.230 nan 0.000 0.887 145 H N 0.467 119.613 119.070 0.127 0.000 2.524 145 H HA 0.417 5.089 4.556 0.193 0.000 0.353 145 H C -1.936 173.352 175.328 -0.068 0.000 1.136 145 H CA -1.818 54.189 56.048 -0.069 0.000 1.193 145 H CB 1.973 31.659 29.762 -0.127 0.000 1.558 145 H HN -0.066 nan 8.280 nan 0.000 0.515 146 P HA -0.058 nan 4.420 nan 0.000 0.269 146 P C 0.912 178.129 177.300 -0.138 0.000 1.215 146 P CA 0.062 63.137 63.100 -0.042 0.000 0.780 146 P CB 1.285 32.891 31.700 -0.157 0.000 0.898 147 S N 2.507 118.234 115.700 0.047 0.000 2.365 147 S HA -0.147 4.438 4.470 0.193 0.000 0.225 147 S C 1.669 176.263 174.600 -0.009 0.000 1.039 147 S CA 1.522 59.744 58.200 0.037 0.000 1.033 147 S CB -0.841 62.433 63.200 0.122 0.000 0.887 147 S HN 0.687 nan 8.310 nan 0.000 0.447 148 W N 1.018 122.340 121.300 0.038 0.000 2.338 148 W HA -0.101 4.675 4.660 0.192 0.000 0.304 148 W C 1.763 178.279 176.519 -0.004 0.000 1.212 148 W CA 0.862 58.214 57.345 0.011 0.000 1.264 148 W CB -1.186 28.283 29.460 0.015 0.000 1.142 148 W HN 0.405 nan 8.180 nan 0.000 0.512 149 L N 1.284 121.912 121.223 -0.991 0.000 2.095 149 L HA -0.006 4.449 4.340 0.193 0.000 0.204 149 L C 2.571 179.205 176.870 -0.393 0.000 1.080 149 L CA 1.495 55.769 54.840 -0.944 0.000 0.759 149 L CB -1.380 39.816 42.059 -1.438 0.000 0.914 149 L HN -0.003 nan 8.230 nan 0.000 0.439 150 L N -0.189 120.846 121.223 -0.313 0.000 2.012 150 L HA -0.234 4.222 4.340 0.193 0.000 0.210 150 L C 2.561 179.256 176.870 -0.290 0.000 1.073 150 L CA 2.025 56.712 54.840 -0.256 0.000 0.748 150 L CB -0.894 41.060 42.059 -0.175 0.000 0.891 150 L HN 0.101 nan 8.230 nan 0.000 0.431 151 K N -0.718 119.558 120.400 -0.208 0.000 2.057 151 K HA -0.073 4.363 4.320 0.193 0.000 0.207 151 K C 2.230 178.747 176.600 -0.138 0.000 1.049 151 K CA 1.566 57.745 56.287 -0.180 0.000 0.931 151 K CB -0.586 31.867 32.500 -0.079 0.000 0.714 151 K HN 0.508 nan 8.250 nan 0.000 0.440 152 R N 0.135 120.590 120.500 -0.074 0.000 2.081 152 R HA 0.035 4.491 4.340 0.193 0.000 0.235 152 R C 2.474 178.753 176.300 -0.034 0.000 1.131 152 R CA 1.557 57.644 56.100 -0.023 0.000 0.960 152 R CB -0.503 29.829 30.300 0.054 0.000 0.856 152 R HN 0.258 nan 8.270 nan 0.000 0.436 153 L N 0.334 121.525 121.223 -0.053 0.000 2.109 153 L HA -0.169 4.287 4.340 0.193 0.000 0.207 153 L C 2.435 179.325 176.870 0.032 0.000 1.086 153 L CA 1.265 56.145 54.840 0.067 0.000 0.760 153 L CB -0.331 41.738 42.059 0.017 0.000 0.910 153 L HN 0.220 nan 8.230 nan 0.000 0.437 154 Q N -0.073 119.572 119.800 -0.257 0.000 2.124 154 Q HA -0.243 4.213 4.340 0.193 0.000 0.202 154 Q C 2.208 178.087 176.000 -0.203 0.000 0.977 154 Q CA 1.487 56.995 55.803 -0.492 0.000 0.850 154 Q CB -0.011 28.220 28.738 -0.845 0.000 0.901 154 Q HN 0.357 nan 8.270 nan 0.000 0.429 155 K N 0.142 120.452 120.400 -0.150 0.000 2.076 155 K HA -0.045 4.391 4.320 0.193 0.000 0.204 155 K C 1.916 178.447 176.600 -0.116 0.000 1.051 155 K CA 1.015 57.237 56.287 -0.108 0.000 0.949 155 K CB -0.035 32.409 32.500 -0.092 0.000 0.726 155 K HN 0.137 nan 8.250 nan 0.000 0.443 156 A N -0.045 122.683 122.820 -0.153 0.000 1.970 156 A HA -0.030 4.406 4.320 0.193 0.000 0.216 156 A C 0.147 177.368 177.584 -0.606 0.000 1.170 156 A CA 0.745 52.548 52.037 -0.391 0.000 0.645 156 A CB -0.091 18.625 19.000 -0.473 0.000 0.816 156 A HN 0.377 nan 8.150 nan 0.000 0.447 157 Y N -1.079 119.245 120.300 0.039 0.000 2.584 157 Y HA 0.307 4.973 4.550 0.194 0.000 0.358 157 Y C -1.997 174.003 175.900 0.168 0.000 1.028 157 Y CA -2.097 56.056 58.100 0.089 0.000 1.148 157 Y CB 0.983 39.503 38.460 0.100 0.000 1.126 157 Y HN 0.173 nan 8.280 nan 0.000 0.658 158 P HA -0.189 nan 4.420 nan 0.000 0.218 158 P C 1.346 178.812 177.300 0.278 0.000 1.148 158 P CA 1.410 64.646 63.100 0.227 0.000 0.822 158 P CB 0.627 32.390 31.700 0.104 0.000 0.784 159 E N -0.485 119.829 120.200 0.190 0.000 2.216 159 E HA -0.046 4.419 4.350 0.193 0.000 0.192 159 E C 1.704 178.318 176.600 0.023 0.000 0.973 159 E CA 0.980 57.438 56.400 0.097 0.000 0.851 159 E CB -0.244 29.500 29.700 0.074 0.000 0.804 159 E HN 0.178 nan 8.360 nan 0.000 0.477 160 Q N -0.611 119.245 119.800 0.094 0.000 2.217 160 Q HA 0.093 4.549 4.340 0.193 0.000 0.217 160 Q C 1.204 177.159 176.000 -0.075 0.000 0.844 160 Q CA 0.009 55.801 55.803 -0.019 0.000 0.957 160 Q CB 0.096 28.846 28.738 0.020 0.000 1.127 160 Q HN 0.453 nan 8.270 nan 0.000 0.503 161 W N 1.064 122.340 121.300 -0.040 0.000 2.342 161 W HA -0.221 4.555 4.660 0.192 0.000 0.297 161 W C 0.654 177.045 176.519 -0.214 0.000 1.213 161 W CA 0.995 58.267 57.345 -0.121 0.000 1.251 161 W CB -0.496 28.900 29.460 -0.107 0.000 1.136 161 W HN 0.140 nan 8.180 nan 0.000 0.526 162 Q N 1.913 121.067 119.800 -1.078 0.000 2.084 162 Q HA -0.186 4.270 4.340 0.193 0.000 0.202 162 Q C 2.678 178.434 176.000 -0.405 0.000 0.978 162 Q CA 3.194 58.408 55.803 -0.982 0.000 0.844 162 Q CB -0.888 27.195 28.738 -1.091 0.000 0.898 162 Q HN 0.406 nan 8.270 nan 0.000 0.426 163 S N 0.086 115.597 115.700 -0.315 0.000 2.402 163 S HA -0.112 4.474 4.470 0.193 0.000 0.229 163 S C 1.960 176.483 174.600 -0.129 0.000 1.021 163 S CA 0.852 58.948 58.200 -0.173 0.000 0.974 163 S CB -0.435 62.683 63.200 -0.137 0.000 0.800 163 S HN 0.310 nan 8.310 nan 0.000 0.484 164 I N 2.366 122.844 120.570 -0.154 0.000 2.163 164 I HA -0.143 4.142 4.170 0.193 0.000 0.240 164 I C 2.766 178.823 176.117 -0.099 0.000 1.081 164 I CA 1.362 62.580 61.300 -0.136 0.000 1.353 164 I CB -0.699 37.177 38.000 -0.207 0.000 1.054 164 I HN 0.358 nan 8.210 nan 0.000 0.407 165 V N -1.350 118.474 119.914 -0.150 0.000 2.407 165 V HA -0.229 4.007 4.120 0.193 0.000 0.248 165 V C 2.356 178.466 176.094 0.027 0.000 1.055 165 V CA 1.856 64.037 62.300 -0.197 0.000 1.049 165 V CB -0.805 30.779 31.823 -0.398 0.000 0.662 165 V HN 0.440 nan 8.190 nan 0.000 0.455 166 E N 1.301 121.503 120.200 0.003 0.000 2.077 166 E HA -0.190 4.276 4.350 0.193 0.000 0.193 166 E C 2.230 178.859 176.600 0.047 0.000 0.989 166 E CA 1.837 58.262 56.400 0.043 0.000 0.800 166 E CB -0.278 29.424 29.700 0.004 0.000 0.746 166 E HN 0.699 nan 8.360 nan 0.000 0.452 167 A N 1.224 124.058 122.820 0.023 0.000 1.930 167 A HA -0.160 4.276 4.320 0.193 0.000 0.217 167 A C 1.920 179.540 177.584 0.061 0.000 1.175 167 A CA 1.361 53.418 52.037 0.034 0.000 0.627 167 A CB -0.515 18.496 19.000 0.019 0.000 0.815 167 A HN 0.216 nan 8.150 nan 0.000 0.443 168 N N 0.920 119.672 118.700 0.088 0.000 2.272 168 N HA -0.111 4.745 4.740 0.193 0.000 0.185 168 N C 0.869 176.451 175.510 0.121 0.000 1.014 168 N CA 1.237 54.364 53.050 0.129 0.000 0.870 168 N CB -0.383 38.258 38.487 0.258 0.000 0.975 168 N HN 0.463 nan 8.380 nan 0.000 0.433 169 N N 0.566 119.348 118.700 0.136 0.000 2.353 169 N HA 0.024 4.880 4.740 0.193 0.000 0.185 169 N C 0.068 175.615 175.510 0.062 0.000 1.098 169 N CA 0.168 53.284 53.050 0.110 0.000 0.872 169 N CB 0.275 38.849 38.487 0.146 0.000 0.970 169 N HN 0.444 nan 8.380 nan 0.000 0.467 170 Q N 0.433 120.264 119.800 0.052 0.000 2.368 170 Q HA 0.226 4.681 4.340 0.193 0.000 0.237 170 Q C 0.144 176.151 176.000 0.012 0.000 0.987 170 Q CA -0.253 55.568 55.803 0.029 0.000 0.896 170 Q CB 1.264 30.017 28.738 0.026 0.000 1.241 170 Q HN 0.012 nan 8.270 nan 0.000 0.485 171 R N 2.262 122.760 120.500 -0.004 0.000 2.442 171 R HA 0.156 4.612 4.340 0.193 0.000 0.291 171 R C -2.057 174.222 176.300 -0.035 0.000 1.069 171 R CA -1.352 54.730 56.100 -0.030 0.000 1.022 171 R CB -0.048 30.229 30.300 -0.038 0.000 0.976 171 R HN 0.436 nan 8.270 nan 0.000 0.443 172 P HA 0.153 nan 4.420 nan 0.000 0.275 172 P C -2.474 174.790 177.300 -0.061 0.000 1.227 172 P CA -1.405 61.673 63.100 -0.035 0.000 0.781 172 P CB 0.298 31.968 31.700 -0.049 0.000 0.906 173 P HA 0.230 nan 4.420 nan 0.000 0.275 173 P C -0.401 176.778 177.300 -0.201 0.000 1.228 173 P CA -0.287 62.699 63.100 -0.190 0.000 0.786 173 P CB 0.614 32.123 31.700 -0.318 0.000 0.927 174 M N 3.657 123.119 119.600 -0.229 0.000 2.201 174 M HA 0.268 4.864 4.480 0.193 0.000 0.345 174 M C -1.200 174.993 176.300 -0.178 0.000 1.352 174 M CA -0.304 54.911 55.300 -0.143 0.000 1.218 174 M CB -0.018 32.515 32.600 -0.112 0.000 1.512 174 M HN 0.264 nan 8.290 nan 0.000 0.447 175 W N 5.864 127.137 121.300 -0.046 0.000 2.365 175 W HA 0.560 5.334 4.660 0.190 0.000 0.316 175 W C -1.008 175.464 176.519 -0.078 0.000 1.164 175 W CA -0.553 56.757 57.345 -0.059 0.000 1.204 175 W CB 0.904 30.299 29.460 -0.109 0.000 1.213 175 W HN 0.469 nan 8.180 nan 0.000 0.539 176 L N 2.979 124.328 121.223 0.210 0.000 2.341 176 L HA 0.639 5.094 4.340 0.193 0.000 0.267 176 L C -0.125 176.726 176.870 -0.031 0.000 1.009 176 L CA -1.440 53.418 54.840 0.030 0.000 0.819 176 L CB 2.077 44.095 42.059 -0.068 0.000 1.323 176 L HN 0.311 nan 8.230 nan 0.000 0.425 177 R N 2.137 122.552 120.500 -0.142 0.000 2.409 177 R HA 0.471 4.927 4.340 0.193 0.000 0.313 177 R C -1.182 174.953 176.300 -0.276 0.000 0.953 177 R CA -0.806 55.167 56.100 -0.210 0.000 0.849 177 R CB 1.137 31.260 30.300 -0.295 0.000 1.171 177 R HN 0.398 nan 8.270 nan 0.000 0.458 178 I N 3.778 124.182 120.570 -0.276 0.000 2.416 178 I HA 0.059 4.344 4.170 0.193 0.000 0.288 178 I C 0.471 176.496 176.117 -0.153 0.000 1.051 178 I CA -0.772 60.331 61.300 -0.328 0.000 1.375 178 I CB 0.555 38.400 38.000 -0.259 0.000 1.407 178 I HN 0.538 nan 8.210 nan 0.000 0.516 179 N N 6.642 125.291 118.700 -0.084 0.000 2.406 179 N HA 0.001 4.857 4.740 0.193 0.000 0.265 179 N C 1.376 176.903 175.510 0.028 0.000 1.203 179 N CA -0.065 52.994 53.050 0.015 0.000 0.945 179 N CB 0.440 39.014 38.487 0.146 0.000 1.165 179 N HN 0.535 nan 8.380 nan 0.000 0.485 180 R N 1.543 122.042 120.500 -0.001 0.000 2.241 180 R HA -0.105 4.351 4.340 0.193 0.000 0.224 180 R C 1.120 177.382 176.300 -0.063 0.000 1.101 180 R CA 1.649 57.744 56.100 -0.009 0.000 0.995 180 R CB -0.698 29.601 30.300 -0.002 0.000 0.870 180 R HN 0.501 nan 8.270 nan 0.000 0.463 181 T N -2.658 111.822 114.554 -0.123 0.000 3.035 181 T HA -0.041 4.425 4.350 0.193 0.000 0.268 181 T C 1.336 175.806 174.700 -0.383 0.000 1.109 181 T CA 0.789 62.738 62.100 -0.253 0.000 1.119 181 T CB -0.143 68.536 68.868 -0.314 0.000 0.900 181 T HN 0.378 nan 8.240 nan 0.000 0.503 182 H N 0.033 119.014 119.070 -0.149 0.000 2.481 182 H HA 0.357 5.034 4.556 0.202 0.000 0.291 182 H C 0.089 174.992 175.328 -0.710 0.000 1.009 182 H CA 0.513 56.327 56.048 -0.391 0.000 1.282 182 H CB 0.471 29.998 29.762 -0.391 0.000 1.457 182 H HN 0.521 nan 8.280 nan 0.000 0.525 183 H N -0.983 118.049 119.070 -0.063 0.000 3.016 183 H HA 0.293 4.967 4.556 0.195 0.000 0.362 183 H C -0.205 175.121 175.328 -0.003 0.000 1.233 183 H CA -0.552 55.467 56.048 -0.048 0.000 1.124 183 H CB 1.491 31.255 29.762 0.002 0.000 1.850 183 H HN 0.069 nan 8.280 nan 0.000 0.549 184 S N 0.544 116.331 115.700 0.144 0.000 2.614 184 S HA 0.100 4.686 4.470 0.193 0.000 0.265 184 S C 1.509 176.201 174.600 0.153 0.000 1.303 184 S CA -0.677 57.586 58.200 0.104 0.000 1.000 184 S CB 1.461 64.705 63.200 0.073 0.000 0.935 184 S HN 0.842 nan 8.310 nan 0.000 0.551 185 R N 0.624 121.195 120.500 0.118 0.000 2.096 185 R HA -0.172 4.283 4.340 0.193 0.000 0.240 185 R C 0.996 177.405 176.300 0.182 0.000 1.139 185 R CA 2.272 58.459 56.100 0.144 0.000 0.952 185 R CB -0.780 29.589 30.300 0.115 0.000 0.854 185 R HN 0.779 nan 8.270 nan 0.000 0.436 186 D N -0.311 120.167 120.400 0.129 0.000 2.144 186 D HA -0.125 4.630 4.640 0.193 0.000 0.199 186 D C 1.857 178.214 176.300 0.095 0.000 0.984 186 D CA 1.311 55.373 54.000 0.104 0.000 0.834 186 D CB -0.331 40.511 40.800 0.071 0.000 0.955 186 D HN 0.175 nan 8.370 nan 0.000 0.465 187 S N -0.814 114.953 115.700 0.111 0.000 2.368 187 S HA -0.172 4.413 4.470 0.193 0.000 0.225 187 S C 1.781 176.420 174.600 0.064 0.000 1.030 187 S CA 1.093 59.350 58.200 0.096 0.000 0.999 187 S CB -0.400 62.891 63.200 0.151 0.000 0.844 187 S HN 0.461 nan 8.310 nan 0.000 0.459 188 W N 1.615 122.866 121.300 -0.081 0.000 2.388 188 W HA 0.079 4.831 4.660 0.152 0.000 0.294 188 W C 1.799 178.261 176.519 -0.096 0.000 1.212 188 W CA 0.898 58.131 57.345 -0.187 0.000 1.271 188 W CB -0.313 29.055 29.460 -0.154 0.000 1.126 188 W HN 0.270 nan 8.180 nan 0.000 0.535 189 L N 0.398 121.725 121.223 0.174 0.000 2.079 189 L HA -0.236 4.220 4.340 0.193 0.000 0.210 189 L C 2.684 179.470 176.870 -0.140 0.000 1.081 189 L CA 1.444 56.303 54.840 0.032 0.000 0.752 189 L CB -1.116 40.993 42.059 0.085 0.000 0.896 189 L HN 0.087 nan 8.230 nan 0.000 0.433 190 A N -0.106 122.649 122.820 -0.109 0.000 1.933 190 A HA -0.159 4.277 4.320 0.193 0.000 0.218 190 A C 2.201 179.664 177.584 -0.201 0.000 1.175 190 A CA 1.330 53.293 52.037 -0.123 0.000 0.628 190 A CB -0.590 18.368 19.000 -0.069 0.000 0.814 190 A HN 0.392 nan 8.150 nan 0.000 0.444 191 L N -1.239 119.795 121.223 -0.316 0.000 2.093 191 L HA -0.136 4.319 4.340 0.193 0.000 0.208 191 L C 2.519 179.117 176.870 -0.454 0.000 1.085 191 L CA 0.918 55.528 54.840 -0.384 0.000 0.755 191 L CB -0.558 41.178 42.059 -0.539 0.000 0.904 191 L HN 0.422 nan 8.230 nan 0.000 0.435 192 L N 0.528 121.377 121.223 -0.624 0.000 2.046 192 L HA -0.250 4.205 4.340 0.193 0.000 0.208 192 L C 2.038 178.731 176.870 -0.295 0.000 1.077 192 L CA 2.103 56.620 54.840 -0.538 0.000 0.747 192 L CB -0.512 41.224 42.059 -0.538 0.000 0.896 192 L HN 0.254 nan 8.230 nan 0.000 0.432 193 D N -0.888 119.370 120.400 -0.238 0.000 2.117 193 D HA -0.202 4.554 4.640 0.193 0.000 0.197 193 D C 2.080 178.297 176.300 -0.138 0.000 0.987 193 D CA 1.555 55.456 54.000 -0.165 0.000 0.829 193 D CB 0.098 40.818 40.800 -0.133 0.000 0.961 193 D HN 0.496 nan 8.370 nan 0.000 0.460 194 E N 0.056 120.170 120.200 -0.144 0.000 2.204 194 E HA 0.019 4.484 4.350 0.193 0.000 0.195 194 E C 1.944 178.480 176.600 -0.108 0.000 0.990 194 E CA 1.319 57.654 56.400 -0.110 0.000 0.821 194 E CB -0.983 28.657 29.700 -0.101 0.000 0.750 194 E HN 0.475 nan 8.360 nan 0.000 0.477 195 A N -0.885 121.850 122.820 -0.143 0.000 2.235 195 A HA 0.467 4.902 4.320 0.193 0.000 0.208 195 A C 2.227 179.749 177.584 -0.105 0.000 1.172 195 A CA 1.200 53.163 52.037 -0.124 0.000 0.786 195 A CB -0.554 18.351 19.000 -0.159 0.000 0.804 195 A HN 1.550 nan 8.150 nan 0.000 0.479 196 G N -1.849 106.888 108.800 -0.105 0.000 2.143 196 G HA2 -0.245 3.831 3.960 0.193 0.000 0.249 196 G HA3 -0.245 3.831 3.960 0.193 0.000 0.249 196 G C 0.032 174.875 174.900 -0.096 0.000 0.981 196 G CA 0.549 45.596 45.100 -0.087 0.000 0.665 196 G HN 0.434 nan 8.290 nan 0.000 0.528 197 M N -0.666 118.859 119.600 -0.124 0.000 2.598 197 M HA 0.644 5.240 4.480 0.193 0.000 0.317 197 M C -0.091 176.111 176.300 -0.163 0.000 1.179 197 M CA -1.083 54.140 55.300 -0.128 0.000 0.936 197 M CB 2.157 34.685 32.600 -0.121 0.000 1.713 197 M HN -0.016 nan 8.290 nan 0.000 0.460 198 K N 0.916 121.208 120.400 -0.180 0.000 2.206 198 K HA 0.794 5.230 4.320 0.193 0.000 0.264 198 K C -0.833 175.531 176.600 -0.393 0.000 0.967 198 K CA -0.265 55.846 56.287 -0.293 0.000 0.844 198 K CB 1.535 33.862 32.500 -0.289 0.000 1.099 198 K HN 0.784 nan 8.250 nan 0.000 0.441 199 G N 2.344 110.838 108.800 -0.510 0.000 2.619 199 G HA2 0.718 4.794 3.960 0.193 0.000 0.296 199 G HA3 0.718 4.794 3.960 0.193 0.000 0.296 199 G C -1.672 172.836 174.900 -0.653 0.000 1.334 199 G CA -0.621 44.209 45.100 -0.450 0.000 0.934 199 G HN 0.341 nan 8.290 nan 0.000 0.476 200 F N 0.935 120.894 119.950 0.014 0.000 2.551 200 F HA 0.594 5.240 4.527 0.197 0.000 0.316 200 F C -1.899 173.974 175.800 0.122 0.000 1.089 200 F CA -1.966 56.057 58.000 0.039 0.000 0.915 200 F CB 2.857 41.853 39.000 -0.007 0.000 1.186 200 F HN 0.240 nan 8.300 nan 0.000 0.456 201 P HA 0.148 nan 4.420 nan 0.000 0.279 201 P C -1.285 176.263 177.300 0.415 0.000 1.276 201 P CA -0.035 63.265 63.100 0.333 0.000 0.801 201 P CB 1.506 33.343 31.700 0.227 0.000 1.127 202 H N -0.782 118.486 119.070 0.329 0.000 2.759 202 H HA 0.401 5.072 4.556 0.192 0.000 0.354 202 H C 0.608 176.026 175.328 0.150 0.000 1.074 202 H CA -0.377 55.855 56.048 0.307 0.000 1.226 202 H CB 2.360 32.401 29.762 0.465 0.000 1.648 202 H HN 0.438 nan 8.280 nan 0.000 0.529 203 A N 3.329 126.236 122.820 0.145 0.000 2.024 203 A HA -0.145 4.291 4.320 0.193 0.000 0.220 203 A C 1.212 178.856 177.584 0.099 0.000 1.164 203 A CA 1.782 53.881 52.037 0.102 0.000 0.643 203 A CB 0.028 19.024 19.000 -0.006 0.000 0.806 203 A HN 0.711 nan 8.150 nan 0.000 0.451 204 D N -2.442 118.070 120.400 0.186 0.000 2.360 204 D HA 0.139 4.895 4.640 0.193 0.000 0.210 204 D C -0.825 175.082 176.300 -0.656 0.000 1.047 204 D CA 0.445 54.230 54.000 -0.358 0.000 0.854 204 D CB 0.174 40.585 40.800 -0.650 0.000 0.936 204 D HN 0.538 nan 8.370 nan 0.000 0.514 205 Y N -0.142 120.114 120.300 -0.073 0.000 2.594 205 Y HA 0.293 4.960 4.550 0.195 0.000 0.338 205 Y C -1.855 174.023 175.900 -0.036 0.000 1.019 205 Y CA -2.185 55.825 58.100 -0.150 0.000 1.306 205 Y CB 1.689 39.952 38.460 -0.328 0.000 1.094 205 Y HN -0.199 nan 8.280 nan 0.000 0.534 206 P HA -0.125 nan 4.420 nan 0.000 0.219 206 P C 0.493 177.842 177.300 0.082 0.000 1.146 206 P CA 1.575 64.715 63.100 0.067 0.000 0.808 206 P CB 0.472 32.182 31.700 0.016 0.000 0.779 207 D N -1.425 119.021 120.400 0.077 0.000 2.349 207 D HA 0.171 4.927 4.640 0.193 0.000 0.214 207 D C 0.721 177.033 176.300 0.021 0.000 1.063 207 D CA 0.108 54.127 54.000 0.033 0.000 0.847 207 D CB 0.188 40.985 40.800 -0.005 0.000 0.933 207 D HN 0.099 nan 8.370 nan 0.000 0.513 208 A N 0.678 123.556 122.820 0.096 0.000 2.304 208 A HA 0.538 4.974 4.320 0.193 0.000 0.301 208 A C -0.155 177.615 177.584 0.309 0.000 1.132 208 A CA -0.330 51.805 52.037 0.163 0.000 0.819 208 A CB 1.267 20.321 19.000 0.090 0.000 1.094 208 A HN -0.026 nan 8.150 nan 0.000 0.492 209 V N 2.512 122.626 119.914 0.333 0.000 2.577 209 V HA 0.455 4.691 4.120 0.193 0.000 0.303 209 V C 0.018 176.239 176.094 0.210 0.000 1.042 209 V CA -0.628 61.844 62.300 0.287 0.000 0.872 209 V CB 1.739 33.683 31.823 0.201 0.000 0.998 209 V HN 0.977 nan 8.190 nan 0.000 0.423 210 R N 4.819 125.295 120.500 -0.039 0.000 2.255 210 R HA 0.593 5.049 4.340 0.193 0.000 0.326 210 R C -0.929 175.265 176.300 -0.178 0.000 0.986 210 R CA -0.581 55.203 56.100 -0.527 0.000 0.847 210 R CB 0.796 30.461 30.300 -1.058 0.000 1.111 210 R HN 0.701 nan 8.270 nan 0.000 0.452 211 L N 4.002 125.122 121.223 -0.173 0.000 2.426 211 L HA 0.052 4.508 4.340 0.193 0.000 0.271 211 L C 1.656 178.490 176.870 -0.061 0.000 1.169 211 L CA 0.209 54.989 54.840 -0.099 0.000 0.836 211 L CB 1.178 43.190 42.059 -0.078 0.000 1.112 211 L HN 0.824 nan 8.230 nan 0.000 0.465 212 E N 1.081 121.267 120.200 -0.024 0.000 2.110 212 E HA -0.099 4.366 4.350 0.193 0.000 0.193 212 E C -0.230 176.373 176.600 0.005 0.000 0.988 212 E CA 0.914 57.370 56.400 0.093 0.000 0.804 212 E CB 0.382 30.133 29.700 0.085 0.000 0.745 212 E HN 0.665 nan 8.360 nan 0.000 0.458 213 T N 1.699 116.230 114.554 -0.039 0.000 2.921 213 T HA 0.351 4.817 4.350 0.193 0.000 0.297 213 T C -2.704 171.952 174.700 -0.073 0.000 1.013 213 T CA -1.345 60.724 62.100 -0.052 0.000 0.990 213 T CB 1.889 70.731 68.868 -0.044 0.000 1.023 213 T HN -0.070 nan 8.240 nan 0.000 0.447 214 P HA 0.453 nan 4.420 nan 0.000 0.266 214 P C -1.258 175.981 177.300 -0.101 0.000 1.195 214 P CA -0.211 62.830 63.100 -0.098 0.000 0.768 214 P CB 0.442 32.077 31.700 -0.108 0.000 0.838 215 A N 3.754 126.504 122.820 -0.117 0.000 2.469 215 A HA 0.773 5.208 4.320 0.193 0.000 0.299 215 A C -2.682 174.780 177.584 -0.204 0.000 1.098 215 A CA -1.630 50.319 52.037 -0.146 0.000 0.737 215 A CB 0.422 19.343 19.000 -0.131 0.000 1.312 215 A HN 0.336 nan 8.150 nan 0.000 0.414 216 P HA 0.259 nan 4.420 nan 0.000 0.274 216 P C 1.255 178.267 177.300 -0.480 0.000 1.231 216 P CA -0.170 62.698 63.100 -0.386 0.000 0.790 216 P CB 0.611 31.962 31.700 -0.580 0.000 0.951 217 V N 0.294 119.930 119.914 -0.463 0.000 2.490 217 V HA -0.276 3.960 4.120 0.193 0.000 0.250 217 V C 1.893 177.695 176.094 -0.487 0.000 1.061 217 V CA 2.181 64.085 62.300 -0.660 0.000 1.064 217 V CB -2.221 28.878 31.823 -1.206 0.000 0.670 217 V HN 0.694 nan 8.190 nan 0.000 0.461 218 H N 0.763 119.702 119.070 -0.217 0.000 2.545 218 H HA 0.382 4.938 4.556 -0.001 0.000 0.282 218 H C 1.808 177.108 175.328 -0.046 0.000 1.020 218 H CA 1.273 57.272 56.048 -0.081 0.000 1.243 218 H CB -0.521 29.212 29.762 -0.047 0.000 1.377 218 H HN 0.516 nan 8.280 nan 0.000 0.581 219 A N 1.119 123.753 122.820 -0.309 0.000 2.238 219 A HA 0.243 4.679 4.320 0.193 0.000 0.210 219 A C 0.652 178.203 177.584 -0.056 0.000 1.179 219 A CA -0.301 51.645 52.037 -0.153 0.000 0.827 219 A CB -0.143 18.715 19.000 -0.237 0.000 0.856 219 A HN 0.327 nan 8.150 nan 0.000 0.488 220 L N 1.303 122.521 121.223 -0.008 0.000 2.281 220 L HA 0.279 4.735 4.340 0.193 0.000 0.285 220 L C -2.451 174.572 176.870 0.255 0.000 1.074 220 L CA -2.064 52.880 54.840 0.173 0.000 0.817 220 L CB 0.643 42.848 42.059 0.243 0.000 1.168 220 L HN -0.023 nan 8.230 nan 0.000 0.434 221 P HA -0.023 nan 4.420 nan 0.000 0.256 221 P C 0.837 178.381 177.300 0.408 0.000 1.173 221 P CA 0.749 63.956 63.100 0.178 0.000 0.768 221 P CB 0.528 32.172 31.700 -0.093 0.000 0.758 222 G N 2.997 111.743 108.800 -0.090 0.000 2.153 222 G HA2 -0.360 3.716 3.960 0.193 0.000 0.252 222 G HA3 -0.360 3.716 3.960 0.193 0.000 0.252 222 G C 0.645 175.420 174.900 -0.210 0.000 0.994 222 G CA 0.114 44.831 45.100 -0.639 0.000 0.698 222 G HN 0.488 nan 8.290 nan 0.000 0.521 223 F N 1.488 121.390 119.950 -0.079 0.000 2.095 223 F HA 0.098 4.723 4.527 0.162 0.000 0.298 223 F C 2.507 178.256 175.800 -0.084 0.000 1.104 223 F CA 3.093 61.078 58.000 -0.026 0.000 1.232 223 F CB -0.422 38.585 39.000 0.011 0.000 0.987 223 F HN 0.380 nan 8.300 nan 0.000 0.475 224 E N -0.259 119.891 120.200 -0.084 0.000 2.347 224 E HA -0.138 4.327 4.350 0.193 0.000 0.196 224 E C 1.490 177.937 176.600 -0.255 0.000 1.008 224 E CA 1.460 57.759 56.400 -0.168 0.000 0.852 224 E CB -0.899 28.772 29.700 -0.049 0.000 0.783 224 E HN 0.583 nan 8.360 nan 0.000 0.505 225 D N -0.942 119.228 120.400 -0.383 0.000 2.339 225 D HA 0.197 4.953 4.640 0.193 0.000 0.217 225 D C 1.187 177.346 176.300 -0.235 0.000 1.050 225 D CA 0.810 54.562 54.000 -0.413 0.000 0.856 225 D CB 0.715 40.990 40.800 -0.874 0.000 0.922 225 D HN 0.555 nan 8.370 nan 0.000 0.518 226 G N 1.075 109.757 108.800 -0.196 0.000 2.137 226 G HA2 -0.238 3.838 3.960 0.193 0.000 0.237 226 G HA3 -0.238 3.838 3.960 0.193 0.000 0.237 226 G C 0.624 175.670 174.900 0.242 0.000 1.002 226 G CA -0.025 45.061 45.100 -0.023 0.000 0.702 226 G HN 0.178 nan 8.290 nan 0.000 0.515 227 W N -1.022 120.260 121.300 -0.031 0.000 2.584 227 W HA 0.562 5.367 4.660 0.242 0.000 0.264 227 W C 1.164 177.625 176.519 -0.098 0.000 1.264 227 W CA 0.321 57.709 57.345 0.071 0.000 1.306 227 W CB -0.077 29.517 29.460 0.224 0.000 1.110 227 W HN 0.544 nan 8.180 nan 0.000 0.606 228 V N -0.404 119.565 119.914 0.093 0.000 3.120 228 V HA 0.620 4.856 4.120 0.193 0.000 0.303 228 V C -0.999 175.108 176.094 0.021 0.000 1.238 228 V CA -0.471 61.758 62.300 -0.118 0.000 1.008 228 V CB 2.144 33.774 31.823 -0.321 0.000 1.064 228 V HN -0.227 nan 8.190 nan 0.000 0.434 229 T N 3.955 118.499 114.554 -0.017 0.000 2.893 229 T HA 0.536 5.001 4.350 0.193 0.000 0.293 229 T C -0.924 173.818 174.700 0.069 0.000 1.027 229 T CA -0.409 61.738 62.100 0.077 0.000 0.988 229 T CB 1.770 70.622 68.868 -0.026 0.000 1.043 229 T HN 0.621 nan 8.240 nan 0.000 0.461 230 V N 3.613 123.613 119.914 0.143 0.000 2.427 230 V HA 0.477 4.713 4.120 0.193 0.000 0.268 230 V C 0.111 176.231 176.094 0.042 0.000 1.046 230 V CA 0.008 62.349 62.300 0.068 0.000 0.970 230 V CB 0.676 32.526 31.823 0.046 0.000 1.001 230 V HN 0.841 nan 8.190 nan 0.000 0.476 231 Q N 3.167 122.979 119.800 0.019 0.000 2.313 231 Q HA 0.252 4.707 4.340 0.193 0.000 0.255 231 Q C -1.084 174.888 176.000 -0.046 0.000 0.944 231 Q CA -0.693 55.095 55.803 -0.024 0.000 0.881 231 Q CB 2.055 30.743 28.738 -0.085 0.000 1.375 231 Q HN 0.863 nan 8.270 nan 0.000 0.422 232 D N 2.063 122.427 120.400 -0.060 0.000 2.472 232 D HA 0.105 4.861 4.640 0.193 0.000 0.237 232 D C 1.118 177.092 176.300 -0.543 0.000 1.141 232 D CA 1.104 55.009 54.000 -0.159 0.000 0.875 232 D CB 1.134 41.866 40.800 -0.113 0.000 1.192 232 D HN 0.638 nan 8.370 nan 0.000 0.450 233 A N 2.659 124.793 122.820 -1.143 0.000 1.917 233 A HA -0.205 4.231 4.320 0.193 0.000 0.219 233 A C 2.266 178.987 177.584 -1.438 0.000 1.182 233 A CA 1.886 52.922 52.037 -1.669 0.000 0.633 233 A CB -0.679 16.630 19.000 -2.819 0.000 0.819 233 A HN 0.581 nan 8.150 nan 0.000 0.448 234 S N -0.423 114.675 115.700 -1.003 0.000 2.368 234 S HA -0.058 4.527 4.470 0.193 0.000 0.225 234 S C 2.273 176.333 174.600 -0.901 0.000 1.030 234 S CA 1.215 58.980 58.200 -0.725 0.000 0.999 234 S CB -0.430 62.428 63.200 -0.569 0.000 0.844 234 S HN 0.821 nan 8.310 nan 0.000 0.459 235 A N 1.205 123.478 122.820 -0.913 0.000 1.930 235 A HA -0.136 4.299 4.320 0.193 0.000 0.217 235 A C 2.046 179.488 177.584 -0.236 0.000 1.175 235 A CA 1.184 52.830 52.037 -0.651 0.000 0.627 235 A CB -0.545 18.265 19.000 -0.317 0.000 0.815 235 A HN 0.548 nan 8.150 nan 0.000 0.443 236 Q N -0.714 118.931 119.800 -0.259 0.000 2.181 236 Q HA -0.134 4.322 4.340 0.193 0.000 0.205 236 Q C 2.068 178.110 176.000 0.071 0.000 0.980 236 Q CA 1.072 56.861 55.803 -0.023 0.000 0.862 236 Q CB -0.448 28.177 28.738 -0.188 0.000 0.905 236 Q HN 0.699 nan 8.270 nan 0.000 0.429 237 G N 0.274 109.098 108.800 0.039 0.000 2.470 237 G HA2 -0.250 3.825 3.960 0.193 0.000 0.220 237 G HA3 -0.250 3.825 3.960 0.193 0.000 0.220 237 G C 1.371 176.256 174.900 -0.024 0.000 1.121 237 G CA 0.725 45.882 45.100 0.095 0.000 0.766 237 G HN 0.365 nan 8.290 nan 0.000 0.553 238 C N 0.503 119.921 119.300 0.197 0.000 2.413 238 C HA -0.077 4.499 4.460 0.193 0.000 0.277 238 C C 2.921 177.921 174.990 0.016 0.000 1.265 238 C CA 0.844 60.018 59.018 0.260 0.000 1.752 238 C CB -0.587 27.315 27.740 0.271 0.000 1.998 238 C HN 0.398 nan 8.230 nan 0.000 0.489 239 M N 0.400 119.903 119.600 -0.162 0.000 2.159 239 M HA -0.116 4.480 4.480 0.193 0.000 0.263 239 M C 2.147 178.266 176.300 -0.302 0.000 1.063 239 M CA 1.611 56.733 55.300 -0.296 0.000 1.110 239 M CB -2.129 30.103 32.600 -0.613 0.000 1.374 239 M HN 0.390 nan 8.290 nan 0.000 0.411 240 T N -0.520 113.768 114.554 -0.444 0.000 2.737 240 T HA -0.204 4.261 4.350 0.193 0.000 0.269 240 T C 1.485 175.758 174.700 -0.712 0.000 1.040 240 T CA 1.630 63.317 62.100 -0.689 0.000 1.142 240 T CB -0.299 67.948 68.868 -1.035 0.000 0.861 240 T HN 0.552 nan 8.240 nan 0.000 0.456 241 W N -0.037 121.172 121.300 -0.152 0.000 2.539 241 W HA 0.339 5.115 4.660 0.193 0.000 0.281 241 W C 1.979 178.468 176.519 -0.050 0.000 1.220 241 W CA -0.661 56.623 57.345 -0.102 0.000 1.332 241 W CB -0.465 28.932 29.460 -0.104 0.000 1.095 241 W HN 0.085 nan 8.180 nan 0.000 0.571 242 L N 1.468 122.767 121.223 0.127 0.000 2.072 242 L HA 0.224 4.680 4.340 0.193 0.000 0.205 242 L C 1.622 178.507 176.870 0.026 0.000 1.079 242 L CA 1.756 56.644 54.840 0.079 0.000 0.752 242 L CB -1.074 41.010 42.059 0.040 0.000 0.906 242 L HN 0.034 nan 8.230 nan 0.000 0.436 243 A N -0.554 122.242 122.820 -0.040 0.000 2.312 243 A HA -0.150 4.285 4.320 0.193 0.000 0.286 243 A C -2.032 175.534 177.584 -0.030 0.000 1.425 243 A CA 0.387 52.389 52.037 -0.057 0.000 0.748 243 A CB -2.464 16.512 19.000 -0.041 0.000 1.126 243 A HN 0.406 nan 8.150 nan 0.000 0.368 244 P HA 0.404 nan 4.420 nan 0.000 0.274 244 P C 0.029 177.319 177.300 -0.017 0.000 1.231 244 P CA 0.177 63.266 63.100 -0.017 0.000 0.790 244 P CB 0.617 32.300 31.700 -0.029 0.000 0.951 245 Q N 0.725 120.526 119.800 0.001 0.000 2.423 245 Q HA 0.327 4.783 4.340 0.193 0.000 0.278 245 Q C -0.463 175.540 176.000 0.006 0.000 1.097 245 Q CA -0.969 54.834 55.803 0.001 0.000 0.809 245 Q CB 1.639 30.382 28.738 0.008 0.000 1.391 245 Q HN 0.356 nan 8.270 nan 0.000 0.428 246 N N 0.423 119.122 118.700 -0.001 0.000 2.412 246 N HA 0.041 4.897 4.740 0.193 0.000 0.254 246 N C 0.863 176.380 175.510 0.011 0.000 1.232 246 N CA 1.680 54.730 53.050 -0.001 0.000 0.880 246 N CB 0.818 39.301 38.487 -0.006 0.000 1.076 246 N HN 0.969 nan 8.380 nan 0.000 0.458 247 G N 1.232 110.035 108.800 0.005 0.000 2.241 247 G HA2 -0.274 3.802 3.960 0.193 0.000 0.244 247 G HA3 -0.274 3.802 3.960 0.193 0.000 0.244 247 G C 0.035 174.972 174.900 0.061 0.000 0.998 247 G CA -0.010 45.103 45.100 0.022 0.000 0.621 247 G HN 0.612 nan 8.290 nan 0.000 0.519 248 E N 0.409 120.649 120.200 0.066 0.000 2.390 248 E HA 0.445 4.911 4.350 0.193 0.000 0.261 248 E C -0.380 176.300 176.600 0.134 0.000 1.076 248 E CA -0.408 56.077 56.400 0.142 0.000 0.905 248 E CB 0.302 30.064 29.700 0.104 0.000 0.984 248 E HN 0.489 nan 8.360 nan 0.000 0.427 249 H N 1.644 120.775 119.070 0.101 0.000 2.640 249 H HA 0.268 4.940 4.556 0.194 0.000 0.297 249 H C -0.454 175.051 175.328 0.295 0.000 1.073 249 H CA -0.243 55.914 56.048 0.182 0.000 1.305 249 H CB 0.158 29.991 29.762 0.118 0.000 1.404 249 H HN 0.193 nan 8.280 nan 0.000 0.459 250 I N 3.920 124.664 120.570 0.290 0.000 2.433 250 I HA 0.154 4.440 4.170 0.193 0.000 0.292 250 I C -0.431 175.694 176.117 0.012 0.000 1.001 250 I CA -0.957 60.439 61.300 0.160 0.000 1.119 250 I CB 1.994 40.034 38.000 0.065 0.000 1.289 250 I HN 0.336 nan 8.210 nan 0.000 0.438 251 L N 5.767 126.841 121.223 -0.249 0.000 2.282 251 L HA 0.466 4.922 4.340 0.193 0.000 0.288 251 L C -0.626 176.108 176.870 -0.228 0.000 1.033 251 L CA 0.214 54.755 54.840 -0.499 0.000 0.807 251 L CB 1.070 42.507 42.059 -1.037 0.000 1.209 251 L HN 0.454 nan 8.230 nan 0.000 0.423 252 D N 4.873 125.164 120.400 -0.181 0.000 2.472 252 D HA 0.260 5.016 4.640 0.193 0.000 0.234 252 D C -1.111 175.097 176.300 -0.153 0.000 1.088 252 D CA -0.066 53.863 54.000 -0.118 0.000 0.882 252 D CB 0.597 41.345 40.800 -0.086 0.000 1.037 252 D HN 0.578 nan 8.370 nan 0.000 0.520 253 L N 3.981 125.125 121.223 -0.132 0.000 2.276 253 L HA 0.321 4.777 4.340 0.193 0.000 0.286 253 L C -0.217 176.578 176.870 -0.124 0.000 1.061 253 L CA -0.484 54.265 54.840 -0.151 0.000 0.807 253 L CB 0.615 42.628 42.059 -0.076 0.000 1.177 253 L HN 0.690 nan 8.230 nan 0.000 0.429 254 C N 3.460 122.663 119.300 -0.162 0.000 4.591 254 C HA -0.157 4.419 4.460 0.193 0.000 0.308 254 C C 1.576 176.504 174.990 -0.104 0.000 1.258 254 C CA 0.151 59.093 59.018 -0.126 0.000 2.128 254 C CB -2.792 24.893 27.740 -0.093 0.000 1.231 254 C HN 0.991 nan 8.230 nan 0.000 0.742 255 A N -0.463 122.280 122.820 -0.127 0.000 2.016 255 A HA 0.470 4.905 4.320 0.193 0.000 0.217 255 A C 1.504 179.042 177.584 -0.077 0.000 1.162 255 A CA 1.406 53.383 52.037 -0.101 0.000 0.662 255 A CB -0.079 18.843 19.000 -0.129 0.000 0.812 255 A HN 2.130 nan 8.150 nan 0.000 0.450 256 A N 0.981 123.751 122.820 -0.084 0.000 2.561 256 A HA 0.378 4.814 4.320 0.193 0.000 0.234 256 A C -0.790 176.777 177.584 -0.028 0.000 1.055 256 A CA -0.193 51.809 52.037 -0.058 0.000 0.756 256 A CB -0.062 18.904 19.000 -0.057 0.000 0.986 256 A HN 0.340 nan 8.150 nan 0.000 0.505 257 P HA 0.154 nan 4.420 nan 0.000 0.253 257 P C 0.750 178.041 177.300 -0.015 0.000 1.260 257 P CA 0.928 64.025 63.100 -0.005 0.000 0.800 257 P CB 0.231 31.945 31.700 0.023 0.000 1.162 258 G N -0.555 108.230 108.800 -0.026 0.000 2.159 258 G HA2 -0.213 3.863 3.960 0.193 0.000 0.227 258 G HA3 -0.213 3.863 3.960 0.193 0.000 0.227 258 G C 1.031 175.926 174.900 -0.009 0.000 0.986 258 G CA -0.106 44.975 45.100 -0.032 0.000 0.651 258 G HN 0.468 nan 8.290 nan 0.000 0.523 259 G N 0.483 109.286 108.800 0.005 0.000 2.402 259 G HA2 -0.065 4.010 3.960 0.193 0.000 0.216 259 G HA3 -0.065 4.010 3.960 0.193 0.000 0.216 259 G C 1.604 176.524 174.900 0.033 0.000 1.162 259 G CA 1.521 46.626 45.100 0.008 0.000 0.777 259 G HN 0.582 nan 8.290 nan 0.000 0.539 260 K N 0.060 120.488 120.400 0.047 0.000 2.155 260 K HA 0.003 4.439 4.320 0.193 0.000 0.203 260 K C 2.678 179.316 176.600 0.063 0.000 1.052 260 K CA 1.252 57.590 56.287 0.085 0.000 0.948 260 K CB -0.314 32.227 32.500 0.070 0.000 0.728 260 K HN 0.166 nan 8.250 nan 0.000 0.448 261 T N 1.343 115.909 114.554 0.020 0.000 2.665 261 T HA -0.179 4.287 4.350 0.193 0.000 0.268 261 T C 2.202 176.913 174.700 0.017 0.000 1.035 261 T CA 2.268 64.367 62.100 -0.002 0.000 1.151 261 T CB -0.562 68.286 68.868 -0.034 0.000 0.862 261 T HN 0.500 nan 8.240 nan 0.000 0.438 262 T N -0.181 114.389 114.554 0.026 0.000 2.904 262 T HA -0.111 4.355 4.350 0.193 0.000 0.267 262 T C 1.845 176.596 174.700 0.084 0.000 1.059 262 T CA 1.140 63.259 62.100 0.033 0.000 1.137 262 T CB -0.505 68.369 68.868 0.010 0.000 0.879 262 T HN 0.322 nan 8.240 nan 0.000 0.467 263 H N 1.837 120.891 119.070 -0.027 0.000 2.353 263 H HA 0.119 4.794 4.556 0.197 0.000 0.300 263 H C 1.973 177.284 175.328 -0.030 0.000 1.090 263 H CA 0.994 57.023 56.048 -0.032 0.000 1.327 263 H CB -0.693 29.047 29.762 -0.036 0.000 1.383 263 H HN 0.438 nan 8.280 nan 0.000 0.508 264 I N -0.095 120.505 120.570 0.050 0.000 2.208 264 I HA -0.290 3.995 4.170 0.193 0.000 0.245 264 I C 2.291 178.403 176.117 -0.008 0.000 1.097 264 I CA 1.111 62.396 61.300 -0.025 0.000 1.363 264 I CB -0.242 37.749 38.000 -0.015 0.000 1.051 264 I HN 0.177 nan 8.210 nan 0.000 0.413 265 L N -0.038 121.194 121.223 0.015 0.000 2.313 265 L HA -0.104 4.352 4.340 0.193 0.000 0.214 265 L C 2.317 179.192 176.870 0.008 0.000 1.119 265 L CA 0.859 55.702 54.840 0.005 0.000 0.809 265 L CB -0.426 41.635 42.059 0.004 0.000 0.933 265 L HN 0.247 nan 8.230 nan 0.000 0.449 266 E N -0.334 119.890 120.200 0.040 0.000 2.107 266 E HA -0.139 4.326 4.350 0.193 0.000 0.191 266 E C 2.255 178.865 176.600 0.018 0.000 0.982 266 E CA 0.967 57.390 56.400 0.038 0.000 0.809 266 E CB 0.116 29.873 29.700 0.095 0.000 0.756 266 E HN 0.259 nan 8.360 nan 0.000 0.459 267 V N 0.688 120.608 119.914 0.010 0.000 2.379 267 V HA -0.053 4.182 4.120 0.193 0.000 0.245 267 V C 0.993 177.066 176.094 -0.035 0.000 1.044 267 V CA 1.340 63.619 62.300 -0.034 0.000 1.036 267 V CB 0.031 31.795 31.823 -0.099 0.000 0.664 267 V HN 0.199 nan 8.190 nan 0.000 0.453 268 A N -0.419 122.383 122.820 -0.029 0.000 2.815 268 A HA 0.626 5.062 4.320 0.193 0.000 0.318 268 A C -1.918 175.653 177.584 -0.021 0.000 1.186 268 A CA -0.989 51.033 52.037 -0.025 0.000 0.754 268 A CB 0.739 19.726 19.000 -0.023 0.000 1.151 268 A HN 0.237 nan 8.150 nan 0.000 0.452 269 P HA -0.100 nan 4.420 nan 0.000 0.219 269 P C 0.798 178.086 177.300 -0.020 0.000 1.146 269 P CA 1.261 64.347 63.100 -0.023 0.000 0.808 269 P CB 0.359 32.041 31.700 -0.031 0.000 0.779 270 E N -1.433 118.755 120.200 -0.020 0.000 2.499 270 E HA 0.475 4.940 4.350 0.193 0.000 0.207 270 E C 0.540 177.124 176.600 -0.027 0.000 1.034 270 E CA -0.254 56.133 56.400 -0.020 0.000 1.098 270 E CB -0.121 29.570 29.700 -0.015 0.000 1.148 270 E HN 0.255 nan 8.360 nan 0.000 0.447 271 A N 1.224 124.027 122.820 -0.028 0.000 2.327 271 A HA 0.438 4.873 4.320 0.193 0.000 0.283 271 A C 0.351 177.896 177.584 -0.064 0.000 1.127 271 A CA -0.586 51.431 52.037 -0.035 0.000 0.810 271 A CB 0.486 19.477 19.000 -0.016 0.000 1.066 271 A HN 0.199 nan 8.150 nan 0.000 0.492 272 Q N 1.988 121.711 119.800 -0.128 0.000 2.571 272 Q HA 0.300 4.755 4.340 0.193 0.000 0.222 272 Q C -0.779 175.177 176.000 -0.074 0.000 1.167 272 Q CA -0.109 55.580 55.803 -0.189 0.000 0.966 272 Q CB 0.758 29.172 28.738 -0.541 0.000 1.274 272 Q HN 0.456 nan 8.270 nan 0.000 0.552 273 V N 1.891 121.793 119.914 -0.021 0.000 2.539 273 V HA 0.362 4.598 4.120 0.193 0.000 0.292 273 V C 0.049 176.162 176.094 0.030 0.000 1.045 273 V CA -0.771 61.537 62.300 0.013 0.000 0.945 273 V CB 1.862 33.680 31.823 -0.009 0.000 0.993 273 V HN 0.420 nan 8.190 nan 0.000 0.464 274 V N 4.648 124.588 119.914 0.044 0.000 2.444 274 V HA 0.872 5.108 4.120 0.193 0.000 0.294 274 V C 0.104 176.156 176.094 -0.070 0.000 1.022 274 V CA -0.263 62.062 62.300 0.041 0.000 0.850 274 V CB 1.305 33.243 31.823 0.191 0.000 0.992 274 V HN 1.090 nan 8.190 nan 0.000 0.426 275 A N 6.679 129.438 122.820 -0.103 0.000 2.288 275 A HA 0.831 5.267 4.320 0.193 0.000 0.320 275 A C -0.453 176.992 177.584 -0.233 0.000 1.217 275 A CA -0.086 51.853 52.037 -0.164 0.000 0.840 275 A CB 1.382 20.289 19.000 -0.155 0.000 1.179 275 A HN 1.980 nan 8.150 nan 0.000 0.504 276 V N 0.180 119.905 119.914 -0.316 0.000 2.789 276 V HA 0.922 5.158 4.120 0.193 0.000 0.311 276 V C -1.305 174.552 176.094 -0.396 0.000 1.073 276 V CA -0.633 61.395 62.300 -0.453 0.000 0.921 276 V CB 2.000 33.297 31.823 -0.876 0.000 1.009 276 V HN 0.845 nan 8.190 nan 0.000 0.426 277 D N 1.899 122.090 120.400 -0.349 0.000 2.622 277 D HA 0.648 5.404 4.640 0.193 0.000 0.255 277 D C 0.965 177.145 176.300 -0.200 0.000 1.246 277 D CA 0.180 54.032 54.000 -0.248 0.000 0.795 277 D CB 2.234 42.930 40.800 -0.173 0.000 1.369 277 D HN 0.880 nan 8.370 nan 0.000 0.425 278 I N -0.213 120.276 120.570 -0.135 0.000 2.091 278 I HA -0.011 4.275 4.170 0.193 0.000 0.239 278 I C 1.058 177.145 176.117 -0.050 0.000 1.061 278 I CA 2.937 64.189 61.300 -0.079 0.000 1.317 278 I CB -1.437 36.535 38.000 -0.047 0.000 1.031 278 I HN 0.625 nan 8.210 nan 0.000 0.401 279 D N -1.301 119.074 120.400 -0.042 0.000 2.533 279 D HA 0.674 5.430 4.640 0.193 0.000 0.247 279 D C 0.656 176.952 176.300 -0.007 0.000 1.056 279 D CA 0.372 54.363 54.000 -0.016 0.000 1.054 279 D CB 0.646 nan 40.800 nan 0.000 1.400 279 D HN 1.109 nan 8.370 nan 0.000 0.533 280 E N -1.626 118.584 120.200 0.017 0.000 2.365 280 E HA 0.393 4.859 4.350 0.193 0.000 0.188 280 E C 1.423 178.048 176.600 0.041 0.000 1.102 280 E CA 1.262 57.688 56.400 0.043 0.000 0.927 280 E CB -0.910 28.820 29.700 0.051 0.000 1.073 280 E HN 0.795 nan 8.360 nan 0.000 0.467 281 Q N -0.122 119.691 119.800 0.022 0.000 2.442 281 Q HA 0.184 4.640 4.340 0.193 0.000 0.228 281 Q C 2.199 178.208 176.000 0.015 0.000 0.902 281 Q CA 0.671 56.486 55.803 0.020 0.000 0.933 281 Q CB -0.139 nan 28.738 nan 0.000 1.071 281 Q HN 0.519 nan 8.270 nan 0.000 0.562 282 R N -0.370 120.127 120.500 -0.005 0.000 2.297 282 R HA 0.243 4.699 4.340 0.193 0.000 0.197 282 R C 1.477 177.755 176.300 -0.036 0.000 0.943 282 R CA 0.186 56.273 56.100 -0.022 0.000 1.038 282 R CB 0.258 30.532 30.300 -0.043 0.000 0.957 282 R HN 0.264 nan 8.270 nan 0.000 0.484 283 L N 0.408 121.619 121.223 -0.020 0.000 2.249 283 L HA 0.008 4.463 4.340 0.193 0.000 0.207 283 L C 2.248 179.143 176.870 0.042 0.000 1.090 283 L CA 1.506 56.309 54.840 -0.062 0.000 0.802 283 L CB -0.398 41.643 42.059 -0.030 0.000 0.947 283 L HN 0.105 nan 8.230 nan 0.000 0.453 284 S N -0.665 115.127 115.700 0.154 0.000 2.382 284 S HA -0.238 4.347 4.470 0.193 0.000 0.228 284 S C 2.125 176.815 174.600 0.151 0.000 1.027 284 S CA 0.988 59.325 58.200 0.229 0.000 0.991 284 S CB -0.402 62.875 63.200 0.129 0.000 0.823 284 S HN 0.383 nan 8.310 nan 0.000 0.469 285 R N 0.873 121.414 120.500 0.068 0.000 2.083 285 R HA -0.004 4.451 4.340 0.193 0.000 0.237 285 R C 2.403 178.714 176.300 0.019 0.000 1.137 285 R CA 1.611 57.737 56.100 0.044 0.000 0.951 285 R CB -1.018 29.295 30.300 0.021 0.000 0.851 285 R HN 0.378 nan 8.270 nan 0.000 0.434 286 V N -0.019 119.864 119.914 -0.052 0.000 2.343 286 V HA -0.262 3.973 4.120 0.193 0.000 0.247 286 V C 1.854 177.892 176.094 -0.094 0.000 1.051 286 V CA 1.676 63.905 62.300 -0.118 0.000 1.036 286 V CB -0.681 31.000 31.823 -0.237 0.000 0.654 286 V HN 0.241 nan 8.190 nan 0.000 0.451 287 Y N 1.207 121.502 120.300 -0.009 0.000 2.165 287 Y HA -0.211 4.453 4.550 0.190 0.000 0.286 287 Y C 2.560 178.456 175.900 -0.007 0.000 1.155 287 Y CA 1.489 59.585 58.100 -0.007 0.000 1.164 287 Y CB -0.695 37.762 38.460 -0.004 0.000 0.978 287 Y HN 0.377 nan 8.280 nan 0.000 0.513 288 D N -0.432 120.061 120.400 0.155 0.000 2.097 288 D HA -0.193 4.563 4.640 0.193 0.000 0.195 288 D C 1.710 178.029 176.300 0.033 0.000 0.989 288 D CA 1.220 55.270 54.000 0.083 0.000 0.827 288 D CB -0.468 40.377 40.800 0.075 0.000 0.966 288 D HN 0.378 nan 8.370 nan 0.000 0.456 289 N N 0.631 119.342 118.700 0.018 0.000 2.166 289 N HA -0.114 4.742 4.740 0.193 0.000 0.186 289 N C 1.930 177.432 175.510 -0.013 0.000 1.019 289 N CA 0.418 53.459 53.050 -0.015 0.000 0.856 289 N CB -0.219 38.262 38.487 -0.011 0.000 0.993 289 N HN 0.093 nan 8.380 nan 0.000 0.426 290 L N 1.827 123.055 121.223 0.008 0.000 2.056 290 L HA -0.125 4.331 4.340 0.193 0.000 0.207 290 L C 2.518 179.405 176.870 0.028 0.000 1.078 290 L CA 1.417 56.268 54.840 0.018 0.000 0.749 290 L CB -1.004 41.072 42.059 0.029 0.000 0.901 290 L HN 0.009 nan 8.230 nan 0.000 0.433 291 K N -0.436 119.988 120.400 0.039 0.000 2.001 291 K HA -0.189 4.247 4.320 0.193 0.000 0.208 291 K C 2.362 178.960 176.600 -0.002 0.000 1.048 291 K CA 1.603 57.907 56.287 0.028 0.000 0.932 291 K CB -0.460 32.060 32.500 0.034 0.000 0.715 291 K HN 0.427 nan 8.250 nan 0.000 0.437 292 R N -0.502 119.977 120.500 -0.034 0.000 2.103 292 R HA -0.064 4.392 4.340 0.193 0.000 0.242 292 R C 1.972 178.234 176.300 -0.063 0.000 1.142 292 R CA 2.094 58.138 56.100 -0.092 0.000 0.960 292 R CB -0.388 29.799 30.300 -0.188 0.000 0.858 292 R HN 0.330 nan 8.270 nan 0.000 0.439 293 L N 0.192 121.400 121.223 -0.025 0.000 2.611 293 L HA 0.258 4.714 4.340 0.193 0.000 0.229 293 L C 0.869 177.781 176.870 0.070 0.000 1.137 293 L CA 0.956 55.818 54.840 0.037 0.000 0.901 293 L CB 0.394 42.470 42.059 0.028 0.000 1.098 293 L HN 0.455 nan 8.230 nan 0.000 0.456 294 G N 0.106 108.934 108.800 0.047 0.000 2.305 294 G HA2 -0.330 3.746 3.960 0.193 0.000 0.287 294 G HA3 -0.330 3.746 3.960 0.193 0.000 0.287 294 G C 0.258 175.183 174.900 0.043 0.000 1.036 294 G CA 0.547 45.678 45.100 0.052 0.000 0.887 294 G HN 0.328 nan 8.290 nan 0.000 0.505 295 M N -0.395 119.224 119.600 0.033 0.000 2.644 295 M HA 0.585 5.181 4.480 0.193 0.000 0.316 295 M C 0.298 176.614 176.300 0.025 0.000 1.200 295 M CA -0.797 54.517 55.300 0.024 0.000 0.944 295 M CB 2.270 34.880 32.600 0.016 0.000 1.691 295 M HN 0.300 nan 8.290 nan 0.000 0.471 296 K N -0.145 120.266 120.400 0.019 0.000 2.371 296 K HA 1.005 5.441 4.320 0.193 0.000 0.251 296 K C -1.305 175.304 176.600 0.014 0.000 0.934 296 K CA -0.811 55.491 56.287 0.025 0.000 0.798 296 K CB 1.852 34.368 32.500 0.026 0.000 1.204 296 K HN 0.978 nan 8.250 nan 0.000 0.427 297 A N 0.497 123.328 122.820 0.019 0.000 2.601 297 A HA 0.714 5.150 4.320 0.193 0.000 0.291 297 A C -0.419 177.176 177.584 0.019 0.000 1.075 297 A CA -0.334 51.707 52.037 0.007 0.000 0.671 297 A CB 1.239 20.231 19.000 -0.014 0.000 1.277 297 A HN 1.599 nan 8.150 nan 0.000 0.417 298 T N -0.804 113.764 114.554 0.025 0.000 2.729 298 T HA 0.517 4.982 4.350 0.193 0.000 0.296 298 T C -0.362 174.337 174.700 -0.003 0.000 0.928 298 T CA -0.366 61.760 62.100 0.042 0.000 1.045 298 T CB 0.672 69.587 68.868 0.077 0.000 0.902 298 T HN 1.808 nan 8.240 nan 0.000 0.500 299 V N 4.657 124.553 119.914 -0.029 0.000 2.347 299 V HA 0.567 4.802 4.120 0.193 0.000 0.280 299 V C -0.568 175.477 176.094 -0.081 0.000 1.021 299 V CA -0.606 61.603 62.300 -0.152 0.000 0.847 299 V CB 0.729 32.289 31.823 -0.439 0.000 0.990 299 V HN 0.982 nan 8.190 nan 0.000 0.444 300 K N 4.877 125.211 120.400 -0.111 0.000 2.259 300 K HA 0.485 4.921 4.320 0.193 0.000 0.249 300 K C -0.905 175.595 176.600 -0.167 0.000 0.942 300 K CA -0.759 55.483 56.287 -0.075 0.000 0.816 300 K CB 2.048 34.535 32.500 -0.022 0.000 1.155 300 K HN 0.673 nan 8.250 nan 0.000 0.428 301 Q N 1.570 121.313 119.800 -0.096 0.000 2.261 301 Q HA 0.474 4.930 4.340 0.193 0.000 0.252 301 Q C -0.807 175.070 176.000 -0.207 0.000 0.915 301 Q CA -0.134 55.596 55.803 -0.123 0.000 0.915 301 Q CB 1.502 30.226 28.738 -0.024 0.000 1.204 301 Q HN 0.854 nan 8.270 nan 0.000 0.421 302 G N 2.670 111.260 108.800 -0.349 0.000 2.579 302 G HA2 0.196 4.271 3.960 0.193 0.000 0.292 302 G HA3 0.196 4.271 3.960 0.193 0.000 0.292 302 G C -1.977 172.735 174.900 -0.314 0.000 1.484 302 G CA -0.625 44.154 45.100 -0.536 0.000 0.813 302 G HN 0.555 nan 8.290 nan 0.000 0.515 303 D N 0.076 120.528 120.400 0.086 0.000 2.303 303 D HA 0.459 5.215 4.640 0.193 0.000 0.236 303 D C 1.461 177.944 176.300 0.306 0.000 1.068 303 D CA 0.135 54.232 54.000 0.162 0.000 0.830 303 D CB 1.713 42.674 40.800 0.269 0.000 1.109 303 D HN 0.490 nan 8.370 nan 0.000 0.496 304 G N 3.305 112.178 108.800 0.122 0.000 2.535 304 G HA2 -0.209 3.867 3.960 0.193 0.000 0.218 304 G HA3 -0.209 3.867 3.960 0.193 0.000 0.218 304 G C 1.429 176.352 174.900 0.038 0.000 1.122 304 G CA 0.261 45.468 45.100 0.178 0.000 0.769 304 G HN 0.479 nan 8.290 nan 0.000 0.549 305 R N -1.077 119.290 120.500 -0.222 0.000 2.153 305 R HA 0.038 4.494 4.340 0.193 0.000 0.218 305 R C -0.135 175.789 176.300 -0.627 0.000 1.072 305 R CA 0.623 56.368 56.100 -0.592 0.000 0.990 305 R CB 0.061 29.676 30.300 -1.142 0.000 0.889 305 R HN 0.486 nan 8.270 nan 0.000 0.452 306 Y N -1.363 119.035 120.300 0.164 0.000 2.490 306 Y HA 0.323 4.988 4.550 0.193 0.000 0.346 306 Y C -2.117 173.740 175.900 -0.072 0.000 1.023 306 Y CA -3.045 55.102 58.100 0.079 0.000 1.142 306 Y CB 0.872 39.383 38.460 0.085 0.000 1.126 306 Y HN -0.079 nan 8.280 nan 0.000 0.647 307 P HA -0.208 nan 4.420 nan 0.000 0.216 307 P C 1.744 178.351 177.300 -1.154 0.000 1.150 307 P CA 2.213 64.702 63.100 -1.019 0.000 0.837 307 P CB 0.230 31.358 31.700 -0.953 0.000 0.786 308 S N -0.614 114.833 115.700 -0.421 0.000 2.440 308 S HA -0.229 4.356 4.470 0.193 0.000 0.238 308 S C 1.935 176.404 174.600 -0.217 0.000 1.010 308 S CA 0.964 59.024 58.200 -0.233 0.000 0.972 308 S CB -1.278 61.907 63.200 -0.026 0.000 0.774 308 S HN 0.261 nan 8.310 nan 0.000 0.501 309 Q N -0.001 119.683 119.800 -0.193 0.000 2.291 309 Q HA -0.033 4.423 4.340 0.193 0.000 0.206 309 Q C 1.713 177.769 176.000 0.093 0.000 0.976 309 Q CA 1.417 57.223 55.803 0.006 0.000 0.875 309 Q CB -0.170 28.665 28.738 0.161 0.000 0.927 309 Q HN 1.045 nan 8.270 nan 0.000 0.450 310 W N -2.086 119.248 121.300 0.057 0.000 2.592 310 W HA 0.289 5.066 4.660 0.195 0.000 0.306 310 W C 0.952 177.506 176.519 0.059 0.000 0.991 310 W CA 0.109 57.484 57.345 0.051 0.000 1.430 310 W CB -0.339 29.146 29.460 0.041 0.000 1.017 310 W HN 0.151 nan 8.180 nan 0.000 0.557 311 C N -0.011 119.160 119.300 -0.216 0.000 3.486 311 C HA 0.676 5.252 4.460 0.193 0.000 0.264 311 C C 1.727 176.659 174.990 -0.096 0.000 1.756 311 C CA 0.098 59.071 59.018 -0.075 0.000 1.764 311 C CB -0.775 26.934 27.740 -0.051 0.000 3.238 311 C HN 0.587 nan 8.230 nan 0.000 0.524 312 G N 1.974 110.719 108.800 -0.092 0.000 2.690 312 G HA2 -0.158 3.918 3.960 0.193 0.000 0.334 312 G HA3 -0.158 3.918 3.960 0.193 0.000 0.334 312 G C 0.707 175.634 174.900 0.045 0.000 1.250 312 G CA 1.867 46.952 45.100 -0.026 0.000 0.994 312 G HN 1.666 nan 8.290 nan 0.000 0.549 313 E N 0.418 120.639 120.200 0.034 0.000 2.569 313 E HA 0.469 4.935 4.350 0.193 0.000 0.205 313 E C 0.922 177.526 176.600 0.006 0.000 1.006 313 E CA 0.934 57.353 56.400 0.031 0.000 0.985 313 E CB -0.135 nan 29.700 nan 0.000 1.060 313 E HN 0.761 nan 8.360 nan 0.000 0.460 314 Q N 0.301 120.113 119.800 0.020 0.000 2.392 314 Q HA 0.313 4.769 4.340 0.193 0.000 0.262 314 Q C -0.185 175.736 176.000 -0.131 0.000 1.003 314 Q CA 0.350 56.078 55.803 -0.126 0.000 0.888 314 Q CB 0.762 29.365 28.738 -0.224 0.000 1.260 314 Q HN 0.503 nan 8.270 nan 0.000 0.435 315 Q N 1.031 120.644 119.800 -0.311 0.000 2.348 315 Q HA 0.566 5.022 4.340 0.193 0.000 0.271 315 Q C -1.288 174.431 176.000 -0.468 0.000 1.067 315 Q CA -0.503 55.161 55.803 -0.232 0.000 0.839 315 Q CB 1.510 30.159 28.738 -0.147 0.000 1.354 315 Q HN 0.404 nan 8.270 nan 0.000 0.447 316 F N -0.302 119.665 119.950 0.027 0.000 2.579 316 F HA 0.292 4.935 4.527 0.193 0.000 0.324 316 F C 0.942 176.754 175.800 0.019 0.000 1.058 316 F CA -0.729 57.303 58.000 0.052 0.000 0.944 316 F CB 1.399 40.454 39.000 0.092 0.000 1.245 316 F HN 0.535 nan 8.300 nan 0.000 0.477 317 D N 0.419 120.964 120.400 0.241 0.000 2.137 317 D HA 0.014 4.769 4.640 0.193 0.000 0.202 317 D C 0.366 176.739 176.300 0.122 0.000 0.970 317 D CA 1.333 55.415 54.000 0.136 0.000 0.837 317 D CB 0.336 41.217 40.800 0.135 0.000 0.981 317 D HN 0.394 nan 8.370 nan 0.000 0.475 318 R N -0.197 120.395 120.500 0.153 0.000 2.698 318 R HA 0.640 5.096 4.340 0.193 0.000 0.275 318 R C -0.822 175.527 176.300 0.081 0.000 1.001 318 R CA -0.581 55.580 56.100 0.102 0.000 0.896 318 R CB 2.579 32.927 30.300 0.080 0.000 1.218 318 R HN -0.122 nan 8.270 nan 0.000 0.462 319 I N 2.772 123.377 120.570 0.058 0.000 2.499 319 I HA 0.270 4.556 4.170 0.193 0.000 0.288 319 I C -1.250 174.893 176.117 0.044 0.000 1.048 319 I CA -1.040 60.270 61.300 0.016 0.000 1.062 319 I CB 2.181 40.204 38.000 0.040 0.000 1.238 319 I HN 0.260 nan 8.210 nan 0.000 0.426 320 L N 7.990 129.222 121.223 0.015 0.000 2.280 320 L HA 0.530 4.986 4.340 0.193 0.000 0.287 320 L C -1.272 175.609 176.870 0.017 0.000 1.023 320 L CA -0.525 54.339 54.840 0.040 0.000 0.819 320 L CB 1.353 43.434 42.059 0.037 0.000 1.212 320 L HN 0.471 nan 8.230 nan 0.000 0.420 321 L N 5.120 126.364 121.223 0.035 0.000 2.277 321 L HA 0.479 4.935 4.340 0.193 0.000 0.284 321 L C -0.667 176.156 176.870 -0.078 0.000 1.028 321 L CA 0.045 54.888 54.840 0.005 0.000 0.835 321 L CB 0.907 43.015 42.059 0.082 0.000 1.215 321 L HN 0.572 nan 8.230 nan 0.000 0.425 322 D N 4.864 125.216 120.400 -0.080 0.000 2.494 322 D HA 0.363 5.119 4.640 0.193 0.000 0.217 322 D C -0.080 176.123 176.300 -0.161 0.000 1.153 322 D CA -0.011 53.917 54.000 -0.119 0.000 0.954 322 D CB 0.938 41.714 40.800 -0.039 0.000 1.034 322 D HN 0.724 nan 8.370 nan 0.000 0.518 323 A N 4.668 127.326 122.820 -0.270 0.000 2.511 323 A HA 0.331 4.767 4.320 0.193 0.000 0.242 323 A C -1.982 175.515 177.584 -0.145 0.000 1.069 323 A CA -0.928 50.992 52.037 -0.196 0.000 0.763 323 A CB -0.059 18.780 19.000 -0.269 0.000 1.001 323 A HN 0.415 nan 8.150 nan 0.000 0.498 324 P HA 0.240 nan 4.420 nan 0.000 0.265 324 P C -0.057 177.202 177.300 -0.067 0.000 1.193 324 P CA 0.211 63.271 63.100 -0.066 0.000 0.765 324 P CB 0.079 31.753 31.700 -0.042 0.000 0.823 325 C N 0.341 119.600 119.300 -0.068 0.000 3.314 325 C HA 0.458 5.034 4.460 0.193 0.000 0.344 325 C C 1.876 176.844 174.990 -0.038 0.000 1.461 325 C CA 0.106 59.087 59.018 -0.062 0.000 1.249 325 C CB 1.006 28.680 27.740 -0.109 0.000 1.632 325 C HN 0.542 nan 8.230 nan 0.000 0.452 326 S N 0.776 116.465 115.700 -0.018 0.000 2.474 326 S HA 0.258 4.844 4.470 0.193 0.000 0.235 326 S C 1.497 176.111 174.600 0.022 0.000 0.997 326 S CA 1.648 59.861 58.200 0.020 0.000 0.949 326 S CB -0.694 62.544 63.200 0.063 0.000 0.766 326 S HN 2.849 nan 8.310 nan 0.000 0.517 327 A N 0.689 123.506 122.820 -0.005 0.000 2.826 327 A HA -0.232 4.204 4.320 0.193 0.000 0.274 327 A C 1.657 179.264 177.584 0.038 0.000 1.443 327 A CA 1.480 53.523 52.037 0.010 0.000 0.833 327 A CB -2.974 16.033 19.000 0.012 0.000 1.023 327 A HN 1.177 nan 8.150 nan 0.000 0.600 328 T N -3.261 111.314 114.554 0.035 0.000 2.929 328 T HA 0.090 4.556 4.350 0.193 0.000 0.271 328 T C 1.866 176.594 174.700 0.047 0.000 1.085 328 T CA 1.760 63.884 62.100 0.041 0.000 1.125 328 T CB -0.604 68.292 68.868 0.047 0.000 0.874 328 T HN 1.492 nan 8.240 nan 0.000 0.494 329 G N 1.371 110.199 108.800 0.047 0.000 2.598 329 G HA2 0.099 4.174 3.960 0.193 0.000 0.215 329 G HA3 0.099 4.174 3.960 0.193 0.000 0.215 329 G C 1.287 176.244 174.900 0.094 0.000 1.131 329 G CA 0.699 45.839 45.100 0.068 0.000 0.785 329 G HN 0.762 nan 8.290 nan 0.000 0.539 330 V N -2.260 117.718 119.914 0.107 0.000 3.214 330 V HA 0.420 4.655 4.120 0.193 0.000 0.330 330 V C 1.853 178.027 176.094 0.135 0.000 1.403 330 V CA -0.354 62.032 62.300 0.144 0.000 1.143 330 V CB -0.314 31.642 31.823 0.223 0.000 1.098 330 V HN 0.219 nan 8.190 nan 0.000 0.463 331 I N 1.967 122.589 120.570 0.087 0.000 2.335 331 I HA -0.246 4.039 4.170 0.193 0.000 0.251 331 I C 2.920 179.063 176.117 0.044 0.000 1.129 331 I CA 2.335 63.664 61.300 0.049 0.000 1.402 331 I CB -0.163 37.834 38.000 -0.005 0.000 1.069 331 I HN 0.491 nan 8.210 nan 0.000 0.424 332 R N 1.246 121.774 120.500 0.046 0.000 2.152 332 R HA -0.138 4.318 4.340 0.193 0.000 0.232 332 R C 1.966 178.257 176.300 -0.015 0.000 1.117 332 R CA 1.206 57.323 56.100 0.029 0.000 0.981 332 R CB -0.447 29.876 30.300 0.037 0.000 0.870 332 R HN 0.364 nan 8.270 nan 0.000 0.451 333 R N -0.398 120.059 120.500 -0.072 0.000 2.237 333 R HA 0.108 4.564 4.340 0.193 0.000 0.195 333 R C -0.023 176.018 176.300 -0.432 0.000 0.956 333 R CA 0.591 56.515 56.100 -0.294 0.000 1.029 333 R CB 0.346 30.388 30.300 -0.429 0.000 0.972 333 R HN 0.412 nan 8.270 nan 0.000 0.493 334 H N 0.217 119.385 119.070 0.164 0.000 2.488 334 H HA 0.155 4.826 4.556 0.192 0.000 0.237 334 H C -1.958 173.409 175.328 0.066 0.000 1.395 334 H CA -1.650 54.488 56.048 0.149 0.000 1.491 334 H CB 1.324 31.141 29.762 0.091 0.000 1.567 334 H HN -0.040 nan 8.280 nan 0.000 0.508 335 P HA -0.209 nan 4.420 nan 0.000 0.221 335 P C 1.042 178.372 177.300 0.049 0.000 1.145 335 P CA 1.194 64.333 63.100 0.065 0.000 0.795 335 P CB 0.456 32.225 31.700 0.114 0.000 0.775 336 D N 0.450 120.893 120.400 0.071 0.000 2.265 336 D HA -0.185 4.571 4.640 0.193 0.000 0.208 336 D C 1.915 178.241 176.300 0.045 0.000 0.977 336 D CA 0.756 54.817 54.000 0.101 0.000 0.871 336 D CB -1.385 39.434 40.800 0.033 0.000 0.925 336 D HN 0.232 nan 8.370 nan 0.000 0.485 337 I N 0.442 121.016 120.570 0.007 0.000 2.248 337 I HA -0.283 4.003 4.170 0.193 0.000 0.248 337 I C 2.435 178.483 176.117 -0.115 0.000 1.107 337 I CA 1.342 62.632 61.300 -0.017 0.000 1.373 337 I CB -0.233 37.772 38.000 0.009 0.000 1.055 337 I HN -0.027 nan 8.210 nan 0.000 0.418 338 K N -0.376 119.804 120.400 -0.367 0.000 2.209 338 K HA -0.183 4.252 4.320 0.193 0.000 0.204 338 K C 1.528 177.617 176.600 -0.852 0.000 1.048 338 K CA 1.660 57.476 56.287 -0.784 0.000 0.940 338 K CB -0.133 31.579 32.500 -1.314 0.000 0.729 338 K HN 0.460 nan 8.250 nan 0.000 0.451 339 W N -0.369 120.995 121.300 0.107 0.000 2.940 339 W HA 0.229 5.004 4.660 0.191 0.000 0.297 339 W C 1.480 178.063 176.519 0.106 0.000 1.149 339 W CA -0.553 56.865 57.345 0.121 0.000 1.564 339 W CB 0.143 29.648 29.460 0.074 0.000 1.010 339 W HN -0.131 nan 8.180 nan 0.000 0.578 340 L N 0.234 121.578 121.223 0.202 0.000 2.202 340 L HA 0.128 4.584 4.340 0.193 0.000 0.205 340 L C 1.483 178.410 176.870 0.095 0.000 1.083 340 L CA 0.688 55.604 54.840 0.127 0.000 0.790 340 L CB -0.411 41.691 42.059 0.072 0.000 0.942 340 L HN -0.267 nan 8.230 nan 0.000 0.452 341 R N 1.105 121.677 120.500 0.120 0.000 2.531 341 R HA 0.405 4.861 4.340 0.193 0.000 0.273 341 R C -0.413 175.898 176.300 0.017 0.000 1.070 341 R CA -0.047 56.108 56.100 0.092 0.000 1.112 341 R CB 0.901 31.330 30.300 0.215 0.000 1.049 341 R HN 0.165 nan 8.270 nan 0.000 0.508 342 R N -0.240 120.040 120.500 -0.367 0.000 2.888 342 R HA 0.139 4.594 4.340 0.193 0.000 0.266 342 R C 0.501 175.973 176.300 -1.380 0.000 1.020 342 R CA -0.764 54.842 56.100 -0.823 0.000 0.963 342 R CB 0.937 30.988 30.300 -0.414 0.000 1.197 342 R HN 0.526 nan 8.270 nan 0.000 0.481 343 D N 1.067 120.459 120.400 -1.680 0.000 2.133 343 D HA -0.192 4.564 4.640 0.193 0.000 0.195 343 D C 1.737 177.760 176.300 -0.461 0.000 0.997 343 D CA 1.719 55.127 54.000 -0.987 0.000 0.840 343 D CB 0.348 40.880 40.800 -0.447 0.000 0.947 343 D HN 0.504 nan 8.370 nan 0.000 0.452 344 R N 0.015 120.293 120.500 -0.371 0.000 2.193 344 R HA -0.101 4.355 4.340 0.193 0.000 0.229 344 R C 0.965 177.160 176.300 -0.175 0.000 1.110 344 R CA 1.420 57.396 56.100 -0.208 0.000 0.988 344 R CB -0.288 29.915 30.300 -0.163 0.000 0.871 344 R HN 0.158 nan 8.270 nan 0.000 0.458 345 D N 1.288 121.552 120.400 -0.225 0.000 2.224 345 D HA -0.060 4.696 4.640 0.193 0.000 0.205 345 D C 1.962 178.205 176.300 -0.096 0.000 0.965 345 D CA 0.723 54.637 54.000 -0.143 0.000 0.852 345 D CB 0.046 40.761 40.800 -0.142 0.000 0.947 345 D HN 0.212 nan 8.370 nan 0.000 0.494 346 I N 1.254 121.764 120.570 -0.100 0.000 2.142 346 I HA -0.159 4.127 4.170 0.193 0.000 0.240 346 I C -0.597 175.499 176.117 -0.035 0.000 1.078 346 I CA 1.130 62.408 61.300 -0.037 0.000 1.343 346 I CB -2.602 35.403 38.000 0.009 0.000 1.046 346 I HN -0.025 nan 8.210 nan 0.000 0.405 347 P HA -0.137 nan 4.420 nan 0.000 0.218 347 P C 1.561 178.842 177.300 -0.032 0.000 1.148 347 P CA 1.383 64.462 63.100 -0.036 0.000 0.822 347 P CB -0.025 31.652 31.700 -0.039 0.000 0.784 348 E N -0.528 119.649 120.200 -0.039 0.000 2.047 348 E HA -0.111 4.354 4.350 0.193 0.000 0.191 348 E C 2.021 178.608 176.600 -0.022 0.000 0.987 348 E CA 0.880 57.262 56.400 -0.030 0.000 0.799 348 E CB -0.652 29.026 29.700 -0.037 0.000 0.752 348 E HN 0.222 nan 8.360 nan 0.000 0.449 349 L N 0.717 121.926 121.223 -0.024 0.000 2.046 349 L HA -0.181 4.275 4.340 0.193 0.000 0.208 349 L C 2.586 179.453 176.870 -0.005 0.000 1.077 349 L CA 1.006 55.837 54.840 -0.015 0.000 0.747 349 L CB -0.449 41.600 42.059 -0.017 0.000 0.896 349 L HN 0.145 nan 8.230 nan 0.000 0.432 350 A N -0.567 122.247 122.820 -0.010 0.000 1.908 350 A HA -0.291 4.145 4.320 0.193 0.000 0.218 350 A C 2.228 179.809 177.584 -0.005 0.000 1.181 350 A CA 1.952 53.984 52.037 -0.008 0.000 0.627 350 A CB -0.500 18.487 19.000 -0.022 0.000 0.818 350 A HN 0.390 nan 8.150 nan 0.000 0.445 351 Q N -0.777 119.018 119.800 -0.009 0.000 2.123 351 Q HA -0.070 4.386 4.340 0.193 0.000 0.199 351 Q C 1.836 177.837 176.000 0.002 0.000 0.966 351 Q CA 1.445 57.245 55.803 -0.005 0.000 0.845 351 Q CB -0.490 28.244 28.738 -0.007 0.000 0.907 351 Q HN 0.520 nan 8.270 nan 0.000 0.439 352 L N 0.401 121.625 121.223 0.002 0.000 2.017 352 L HA -0.163 4.292 4.340 0.193 0.000 0.208 352 L C 1.962 178.843 176.870 0.019 0.000 1.073 352 L CA 1.940 56.781 54.840 0.003 0.000 0.745 352 L CB -0.691 41.366 42.059 -0.004 0.000 0.894 352 L HN 0.260 nan 8.230 nan 0.000 0.432 353 Q N -1.225 118.598 119.800 0.038 0.000 2.135 353 Q HA -0.214 4.242 4.340 0.193 0.000 0.204 353 Q C 2.460 178.495 176.000 0.058 0.000 0.981 353 Q CA 1.911 57.769 55.803 0.091 0.000 0.856 353 Q CB -0.319 28.507 28.738 0.147 0.000 0.902 353 Q HN 0.589 nan 8.270 nan 0.000 0.425 354 S N 0.223 115.935 115.700 0.020 0.000 2.368 354 S HA -0.220 4.365 4.470 0.193 0.000 0.224 354 S C 1.867 176.482 174.600 0.026 0.000 1.029 354 S CA 1.406 59.610 58.200 0.006 0.000 0.988 354 S CB -0.098 63.100 63.200 -0.003 0.000 0.838 354 S HN 0.430 nan 8.310 nan 0.000 0.462 355 E N 0.160 120.373 120.200 0.022 0.000 2.047 355 E HA -0.106 4.359 4.350 0.193 0.000 0.191 355 E C 1.964 178.582 176.600 0.030 0.000 0.987 355 E CA 1.250 57.663 56.400 0.022 0.000 0.799 355 E CB -0.117 29.584 29.700 0.001 0.000 0.752 355 E HN 0.442 nan 8.360 nan 0.000 0.449 356 I N 1.091 121.679 120.570 0.030 0.000 2.226 356 I HA -0.238 4.047 4.170 0.193 0.000 0.245 356 I C 2.482 178.665 176.117 0.109 0.000 1.100 356 I CA 0.734 62.065 61.300 0.052 0.000 1.374 356 I CB -1.098 36.936 38.000 0.056 0.000 1.057 356 I HN 0.282 nan 8.210 nan 0.000 0.413 357 L N 1.047 122.333 121.223 0.105 0.000 2.042 357 L HA -0.239 4.216 4.340 0.193 0.000 0.210 357 L C 2.183 179.169 176.870 0.194 0.000 1.076 357 L CA 1.893 56.805 54.840 0.121 0.000 0.749 357 L CB -1.151 40.912 42.059 0.007 0.000 0.893 357 L HN 0.220 nan 8.230 nan 0.000 0.432 358 D N -0.845 119.643 120.400 0.148 0.000 2.117 358 D HA -0.115 4.640 4.640 0.193 0.000 0.197 358 D C 2.140 178.560 176.300 0.200 0.000 0.987 358 D CA 1.489 55.585 54.000 0.160 0.000 0.829 358 D CB -0.008 40.849 40.800 0.095 0.000 0.961 358 D HN 0.374 nan 8.370 nan 0.000 0.460 359 A N -0.037 122.883 122.820 0.167 0.000 2.014 359 A HA -0.049 4.387 4.320 0.193 0.000 0.218 359 A C 2.081 179.823 177.584 0.264 0.000 1.163 359 A CA 0.585 52.728 52.037 0.176 0.000 0.652 359 A CB -0.174 18.886 19.000 0.100 0.000 0.808 359 A HN 0.176 nan 8.150 nan 0.000 0.449 360 I N -1.911 118.826 120.570 0.277 0.000 2.867 360 I HA 0.020 4.306 4.170 0.193 0.000 0.265 360 I C 1.952 178.288 176.117 0.364 0.000 1.162 360 I CA -0.218 61.270 61.300 0.314 0.000 1.471 360 I CB -0.421 37.726 38.000 0.246 0.000 1.123 360 I HN 0.628 nan 8.210 nan 0.000 0.440 361 W N 3.825 125.231 121.300 0.178 0.000 2.305 361 W HA -0.193 4.583 4.660 0.192 0.000 0.308 361 W C -0.724 175.875 176.519 0.133 0.000 1.226 361 W CA 1.853 59.298 57.345 0.168 0.000 1.253 361 W CB -1.490 28.085 29.460 0.192 0.000 1.146 361 W HN 0.164 nan 8.180 nan 0.000 0.507 362 P HA -0.176 nan 4.420 nan 0.000 0.221 362 P C 0.898 178.068 177.300 -0.216 0.000 1.145 362 P CA 1.674 64.732 63.100 -0.071 0.000 0.795 362 P CB -0.567 31.091 31.700 -0.070 0.000 0.775 363 H N -1.155 117.912 119.070 -0.006 0.000 2.533 363 H HA 0.163 4.835 4.556 0.193 0.000 0.271 363 H C 0.555 175.914 175.328 0.052 0.000 1.000 363 H CA -0.320 55.752 56.048 0.039 0.000 1.149 363 H CB 0.092 29.936 29.762 0.137 0.000 1.375 363 H HN 0.122 nan 8.280 nan 0.000 0.582 364 L N 2.675 123.866 121.223 -0.054 0.000 2.276 364 L HA 0.185 4.640 4.340 0.193 0.000 0.286 364 L C 0.496 177.256 176.870 -0.184 0.000 1.061 364 L CA -0.651 54.108 54.840 -0.134 0.000 0.807 364 L CB 0.969 42.766 42.059 -0.438 0.000 1.177 364 L HN 0.081 nan 8.230 nan 0.000 0.429 365 K N 2.468 122.812 120.400 -0.092 0.000 2.219 365 K HA 0.210 4.645 4.320 0.193 0.000 0.258 365 K C -0.164 176.361 176.600 -0.126 0.000 1.008 365 K CA -0.484 55.740 56.287 -0.106 0.000 0.928 365 K CB 0.153 32.608 32.500 -0.074 0.000 0.983 365 K HN 0.555 nan 8.250 nan 0.000 0.484 366 T N 1.247 115.740 114.554 -0.101 0.000 2.902 366 T HA 0.202 4.668 4.350 0.193 0.000 0.301 366 T C 1.142 175.815 174.700 -0.044 0.000 1.012 366 T CA 1.341 63.397 62.100 -0.074 0.000 1.151 366 T CB 0.175 69.016 68.868 -0.045 0.000 0.946 366 T HN 0.898 nan 8.240 nan 0.000 0.542 367 G N 2.607 111.394 108.800 -0.023 0.000 2.179 367 G HA2 -0.176 3.899 3.960 0.193 0.000 0.260 367 G HA3 -0.176 3.899 3.960 0.193 0.000 0.260 367 G C 0.506 175.410 174.900 0.007 0.000 0.977 367 G CA -0.020 45.082 45.100 0.005 0.000 0.641 367 G HN 1.117 nan 8.290 nan 0.000 0.533 368 G N -1.038 107.748 108.800 -0.024 0.000 2.599 368 G HA2 0.548 4.623 3.960 0.193 0.000 0.264 368 G HA3 0.548 4.623 3.960 0.193 0.000 0.264 368 G C -0.213 174.699 174.900 0.021 0.000 1.200 368 G CA 0.628 45.724 45.100 -0.006 0.000 0.896 368 G HN 0.589 nan 8.290 nan 0.000 0.536 369 T N 0.872 115.458 114.554 0.053 0.000 2.791 369 T HA 0.399 4.865 4.350 0.193 0.000 0.288 369 T C -0.261 174.503 174.700 0.107 0.000 0.999 369 T CA -0.272 61.883 62.100 0.093 0.000 0.952 369 T CB 0.965 69.891 68.868 0.096 0.000 0.938 369 T HN 0.490 nan 8.240 nan 0.000 0.444 370 L N 4.439 125.756 121.223 0.156 0.000 2.295 370 L HA 0.818 5.273 4.340 0.193 0.000 0.285 370 L C -1.223 175.744 176.870 0.162 0.000 1.035 370 L CA -0.706 54.238 54.840 0.173 0.000 0.806 370 L CB 0.932 43.156 42.059 0.275 0.000 1.214 370 L HN 0.317 nan 8.230 nan 0.000 0.426 371 V N 5.451 125.452 119.914 0.145 0.000 2.357 371 V HA 0.232 4.468 4.120 0.193 0.000 0.284 371 V C -0.822 175.366 176.094 0.157 0.000 1.018 371 V CA -0.444 61.945 62.300 0.148 0.000 0.841 371 V CB 1.218 33.147 31.823 0.177 0.000 0.991 371 V HN 0.676 nan 8.190 nan 0.000 0.437 372 Y N 5.090 125.392 120.300 0.002 0.000 2.350 372 Y HA 0.697 5.364 4.550 0.194 0.000 0.340 372 Y C 0.178 176.079 175.900 0.001 0.000 1.006 372 Y CA -0.331 57.762 58.100 -0.012 0.000 1.166 372 Y CB 0.963 39.388 38.460 -0.059 0.000 1.168 372 Y HN 0.711 nan 8.280 nan 0.000 0.502 373 A N 4.334 126.904 122.820 -0.417 0.000 2.413 373 A HA 0.827 5.263 4.320 0.193 0.000 0.307 373 A C -0.612 176.537 177.584 -0.726 0.000 1.087 373 A CA -0.164 51.612 52.037 -0.435 0.000 0.750 373 A CB 1.318 20.252 19.000 -0.110 0.000 1.296 373 A HN 0.833 nan 8.150 nan 0.000 0.423 374 T N -2.567 111.506 114.554 -0.802 0.000 2.864 374 T HA 0.465 4.930 4.350 0.193 0.000 0.299 374 T C 0.025 174.124 174.700 -1.002 0.000 1.166 374 T CA -0.038 61.640 62.100 -0.703 0.000 1.007 374 T CB 0.896 69.519 68.868 -0.409 0.000 1.219 374 T HN 1.654 nan 8.240 nan 0.000 0.506 375 C N 0.967 119.923 119.300 -0.574 0.000 2.352 375 C HA 0.735 5.311 4.460 0.193 0.000 0.321 375 C C 0.737 175.645 174.990 -0.137 0.000 1.407 375 C CA -0.742 58.075 59.018 -0.335 0.000 1.783 375 C CB -2.198 25.528 27.740 -0.022 0.000 2.698 375 C HN 0.839 nan 8.230 nan 0.000 0.555 376 S N 0.188 115.789 115.700 -0.164 0.000 2.681 376 S HA 0.671 5.257 4.470 0.193 0.000 0.299 376 S C 0.691 175.277 174.600 -0.023 0.000 1.113 376 S CA 0.008 58.168 58.200 -0.067 0.000 1.013 376 S CB 1.718 64.872 63.200 -0.077 0.000 1.076 376 S HN 1.133 nan 8.310 nan 0.000 0.534 377 V N 1.711 121.645 119.914 0.033 0.000 3.427 377 V HA 0.509 4.745 4.120 0.193 0.000 0.305 377 V C -0.173 176.021 176.094 0.166 0.000 1.412 377 V CA -0.146 62.221 62.300 0.110 0.000 1.086 377 V CB -0.657 31.215 31.823 0.083 0.000 0.964 377 V HN 0.600 nan 8.190 nan 0.000 0.439 378 L N 2.548 123.803 121.223 0.053 0.000 2.276 378 L HA 0.417 4.872 4.340 0.193 0.000 0.286 378 L C -0.936 175.883 176.870 -0.084 0.000 1.061 378 L CA -1.671 53.181 54.840 0.019 0.000 0.807 378 L CB 1.669 43.745 42.059 0.028 0.000 1.177 378 L HN 0.018 nan 8.230 nan 0.000 0.429 379 P HA -0.167 nan 4.420 nan 0.000 0.218 379 P C 0.807 178.006 177.300 -0.169 0.000 1.148 379 P CA 1.194 64.189 63.100 -0.174 0.000 0.822 379 P CB 0.422 32.024 31.700 -0.162 0.000 0.784 380 E N 0.288 120.421 120.200 -0.112 0.000 2.204 380 E HA -0.155 4.310 4.350 0.193 0.000 0.195 380 E C 1.787 178.329 176.600 -0.096 0.000 0.990 380 E CA 1.060 57.407 56.400 -0.090 0.000 0.821 380 E CB -0.539 29.129 29.700 -0.053 0.000 0.750 380 E HN 0.504 nan 8.360 nan 0.000 0.477 381 E N -0.426 119.707 120.200 -0.111 0.000 2.447 381 E HA 0.071 4.537 4.350 0.193 0.000 0.195 381 E C 0.617 177.137 176.600 -0.133 0.000 1.028 381 E CA -0.007 56.346 56.400 -0.079 0.000 0.876 381 E CB 0.310 29.971 29.700 -0.064 0.000 0.885 381 E HN 0.142 nan 8.360 nan 0.000 0.500 382 N N -0.264 118.212 118.700 -0.373 0.000 2.477 382 N HA -0.020 4.836 4.740 0.193 0.000 0.167 382 N C 1.681 176.694 175.510 -0.830 0.000 1.351 382 N CA 0.881 53.338 53.050 -0.988 0.000 1.087 382 N CB -0.702 36.926 38.487 -1.431 0.000 1.263 382 N HN -0.031 nan 8.380 nan 0.000 0.408 383 S N 1.462 116.717 115.700 -0.742 0.000 2.359 383 S HA -0.058 4.527 4.470 0.193 0.000 0.224 383 S C 2.115 176.654 174.600 -0.102 0.000 1.035 383 S CA 1.122 59.225 58.200 -0.162 0.000 1.018 383 S CB -1.025 62.168 63.200 -0.012 0.000 0.876 383 S HN 0.302 nan 8.310 nan 0.000 0.448 384 L N 0.993 122.133 121.223 -0.137 0.000 2.127 384 L HA -0.159 4.297 4.340 0.193 0.000 0.211 384 L C 3.131 179.948 176.870 -0.088 0.000 1.089 384 L CA 1.671 56.456 54.840 -0.092 0.000 0.757 384 L CB -0.683 41.321 42.059 -0.093 0.000 0.899 384 L HN 0.390 nan 8.230 nan 0.000 0.434 385 Q N 0.589 120.313 119.800 -0.126 0.000 2.020 385 Q HA -0.195 4.261 4.340 0.193 0.000 0.202 385 Q C 2.153 178.071 176.000 -0.138 0.000 0.982 385 Q CA 1.758 57.479 55.803 -0.138 0.000 0.838 385 Q CB -0.095 28.536 28.738 -0.180 0.000 0.899 385 Q HN 0.291 nan 8.270 nan 0.000 0.423 386 I N 0.515 120.999 120.570 -0.144 0.000 2.264 386 I HA -0.263 4.023 4.170 0.193 0.000 0.248 386 I C 2.276 178.443 176.117 0.082 0.000 1.111 386 I CA 1.395 62.643 61.300 -0.087 0.000 1.382 386 I CB -1.357 36.637 38.000 -0.011 0.000 1.060 386 I HN 0.188 nan 8.210 nan 0.000 0.418 387 K N 0.970 121.386 120.400 0.027 0.000 2.057 387 K HA -0.059 4.376 4.320 0.193 0.000 0.207 387 K C 2.306 178.900 176.600 -0.009 0.000 1.049 387 K CA 1.179 57.475 56.287 0.016 0.000 0.931 387 K CB -0.623 31.872 32.500 -0.008 0.000 0.714 387 K HN 0.494 nan 8.250 nan 0.000 0.440 388 A N 0.161 122.970 122.820 -0.017 0.000 1.902 388 A HA -0.043 4.393 4.320 0.193 0.000 0.217 388 A C 2.034 179.591 177.584 -0.046 0.000 1.181 388 A CA 1.921 53.935 52.037 -0.038 0.000 0.623 388 A CB -0.823 18.154 19.000 -0.039 0.000 0.818 388 A HN 0.728 nan 8.150 nan 0.000 0.443 389 F N 0.630 120.469 119.950 -0.184 0.000 2.134 389 F HA -0.123 4.520 4.527 0.194 0.000 0.299 389 F C 1.706 177.357 175.800 -0.249 0.000 1.097 389 F CA 1.665 59.526 58.000 -0.231 0.000 1.264 389 F CB -0.514 38.311 39.000 -0.292 0.000 1.001 389 F HN 0.125 nan 8.300 nan 0.000 0.479 390 L N 0.387 121.286 121.223 -0.540 0.000 2.017 390 L HA -0.241 4.215 4.340 0.193 0.000 0.208 390 L C 2.851 179.444 176.870 -0.461 0.000 1.073 390 L CA 1.952 56.399 54.840 -0.655 0.000 0.745 390 L CB -1.008 40.952 42.059 -0.166 0.000 0.894 390 L HN 0.328 nan 8.230 nan 0.000 0.432 391 Q N 0.909 120.544 119.800 -0.275 0.000 2.135 391 Q HA -0.244 4.212 4.340 0.193 0.000 0.204 391 Q C 1.978 177.846 176.000 -0.220 0.000 0.981 391 Q CA 2.020 57.705 55.803 -0.196 0.000 0.856 391 Q CB 0.073 28.735 28.738 -0.126 0.000 0.902 391 Q HN 0.564 nan 8.270 nan 0.000 0.425 392 R N -1.244 119.092 120.500 -0.273 0.000 2.393 392 R HA 0.170 4.626 4.340 0.193 0.000 0.244 392 R C -0.454 175.661 176.300 -0.310 0.000 0.920 392 R CA 0.231 56.192 56.100 -0.233 0.000 1.076 392 R CB 0.571 30.773 30.300 -0.164 0.000 1.119 392 R HN -0.120 nan 8.270 nan 0.000 0.524 393 T N 0.589 114.843 114.554 -0.500 0.000 3.141 393 T HA 0.403 4.868 4.350 0.193 0.000 0.377 393 T C 0.795 175.229 174.700 -0.443 0.000 1.258 393 T CA -0.298 61.462 62.100 -0.568 0.000 1.263 393 T CB 1.530 69.752 68.868 -1.076 0.000 1.066 393 T HN 0.242 nan 8.240 nan 0.000 0.546 394 A N 2.544 125.230 122.820 -0.222 0.000 1.948 394 A HA -0.156 4.280 4.320 0.193 0.000 0.220 394 A C 1.950 179.498 177.584 -0.060 0.000 1.177 394 A CA 1.882 53.843 52.037 -0.127 0.000 0.636 394 A CB -0.317 18.645 19.000 -0.064 0.000 0.815 394 A HN 0.765 nan 8.150 nan 0.000 0.449 395 D N -0.415 120.003 120.400 0.029 0.000 2.319 395 D HA 0.387 5.143 4.640 0.193 0.000 0.230 395 D C 0.394 176.883 176.300 0.314 0.000 1.094 395 D CA 0.524 54.631 54.000 0.178 0.000 0.856 395 D CB -0.470 40.481 40.800 0.252 0.000 0.915 395 D HN 0.386 nan 8.370 nan 0.000 0.517 396 A N -0.284 122.569 122.820 0.055 0.000 2.306 396 A HA 0.652 5.087 4.320 0.193 0.000 0.314 396 A C 0.016 177.647 177.584 0.078 0.000 1.164 396 A CA -0.192 51.884 52.037 0.065 0.000 0.822 396 A CB 0.689 19.371 19.000 -0.530 0.000 1.130 396 A HN 0.282 nan 8.150 nan 0.000 0.496 397 E N 1.622 121.943 120.200 0.201 0.000 2.263 397 E HA 0.539 5.005 4.350 0.193 0.000 0.268 397 E C -1.032 175.658 176.600 0.150 0.000 0.884 397 E CA -0.788 55.691 56.400 0.133 0.000 0.766 397 E CB 1.285 nan 29.700 nan 0.000 1.196 397 E HN 1.206 nan 8.360 nan 0.000 0.416 398 L N 1.311 122.598 121.223 0.107 0.000 2.461 398 L HA 0.542 4.997 4.340 0.193 0.000 0.272 398 L C -0.061 176.844 176.870 0.059 0.000 1.197 398 L CA -0.153 54.734 54.840 0.079 0.000 0.836 398 L CB 1.155 43.243 42.059 0.048 0.000 1.105 398 L HN 0.802 nan 8.230 nan 0.000 0.477 399 C N 4.666 123.988 119.300 0.036 0.000 2.383 399 C HA 0.651 5.227 4.460 0.193 0.000 0.330 399 C C 0.915 175.902 174.990 -0.006 0.000 1.168 399 C CA 0.491 59.532 59.018 0.039 0.000 1.374 399 C CB -0.378 27.408 27.740 0.077 0.000 2.014 399 C HN 1.141 nan 8.230 nan 0.000 0.439 400 E N 1.707 121.908 120.200 0.001 0.000 5.006 400 E HA -0.323 4.143 4.350 0.193 0.000 0.214 400 E C 0.439 176.941 176.600 -0.163 0.000 0.970 400 E CA 2.224 58.617 56.400 -0.013 0.000 1.705 400 E CB -2.841 nan 29.700 nan 0.000 1.789 400 E HN 1.866 nan 8.360 nan 0.000 0.384 401 T N -1.326 113.024 114.554 -0.340 0.000 2.776 401 T HA 0.582 5.047 4.350 0.193 0.000 0.292 401 T C 1.549 176.117 174.700 -0.220 0.000 0.921 401 T CA 0.936 62.748 62.100 -0.479 0.000 1.038 401 T CB 0.336 68.788 68.868 -0.694 0.000 0.910 401 T HN 2.322 nan 8.240 nan 0.000 0.536 402 G N 3.530 112.253 108.800 -0.128 0.000 2.562 402 G HA2 0.006 4.081 3.960 0.193 0.000 0.250 402 G HA3 0.006 4.081 3.960 0.193 0.000 0.250 402 G C -0.051 174.841 174.900 -0.013 0.000 1.269 402 G CA -0.061 45.018 45.100 -0.035 0.000 0.919 402 G HN 1.877 nan 8.290 nan 0.000 0.574 403 T N -2.754 111.806 114.554 0.011 0.000 2.901 403 T HA 0.723 5.188 4.350 0.193 0.000 0.293 403 T C -1.940 172.772 174.700 0.019 0.000 1.084 403 T CA -0.724 61.385 62.100 0.014 0.000 1.008 403 T CB 2.530 71.408 68.868 0.018 0.000 1.170 403 T HN 0.350 nan 8.240 nan 0.000 0.509 404 P HA -0.075 nan 4.420 nan 0.000 0.218 404 P C 1.206 178.513 177.300 0.011 0.000 1.146 404 P CA 0.969 64.077 63.100 0.013 0.000 0.813 404 P CB 0.226 31.929 31.700 0.005 0.000 0.778 405 E N -0.395 119.812 120.200 0.011 0.000 2.122 405 E HA -0.090 4.376 4.350 0.193 0.000 0.190 405 E C 0.464 177.073 176.600 0.014 0.000 0.977 405 E CA 0.702 57.106 56.400 0.008 0.000 0.820 405 E CB 0.098 29.802 29.700 0.007 0.000 0.770 405 E HN 0.259 nan 8.360 nan 0.000 0.462 406 Q N 1.173 120.990 119.800 0.028 0.000 3.244 406 Q HA 0.318 4.774 4.340 0.193 0.000 0.249 406 Q C -2.560 173.486 176.000 0.077 0.000 0.951 406 Q CA -2.110 53.721 55.803 0.047 0.000 0.740 406 Q CB 1.910 30.676 28.738 0.046 0.000 1.334 406 Q HN 0.101 nan 8.270 nan 0.000 0.448 407 P HA 0.114 nan 4.420 nan 0.000 0.268 407 P C 0.462 177.897 177.300 0.225 0.000 1.205 407 P CA 0.860 64.028 63.100 0.114 0.000 0.771 407 P CB 0.823 32.592 31.700 0.115 0.000 0.858 408 G N 1.065 109.889 108.800 0.041 0.000 2.757 408 G HA2 -0.128 3.948 3.960 0.193 0.000 0.638 408 G HA3 -0.128 3.948 3.960 0.193 0.000 0.638 408 G C -1.238 173.563 174.900 -0.166 0.000 1.344 408 G CA -0.561 44.398 45.100 -0.234 0.000 0.855 408 G HN 0.754 nan 8.290 nan 0.000 0.537 409 K N -0.201 119.979 120.400 -0.366 0.000 2.426 409 K HA 0.633 5.069 4.320 0.193 0.000 0.254 409 K C -0.515 176.162 176.600 0.128 0.000 0.936 409 K CA -0.737 55.534 56.287 -0.027 0.000 0.801 409 K CB 1.661 34.168 32.500 0.012 0.000 1.139 409 K HN 0.686 nan 8.250 nan 0.000 0.424 410 Q N 2.989 122.963 119.800 0.291 0.000 2.325 410 Q HA 0.343 4.799 4.340 0.193 0.000 0.262 410 Q C -1.325 174.837 176.000 0.269 0.000 0.968 410 Q CA -0.477 55.539 55.803 0.356 0.000 0.877 410 Q CB 1.091 30.057 28.738 0.380 0.000 1.253 410 Q HN 0.532 nan 8.270 nan 0.000 0.448 411 N N 3.286 122.137 118.700 0.250 0.000 2.487 411 N HA 0.512 5.368 4.740 0.193 0.000 0.292 411 N C -1.099 174.498 175.510 0.145 0.000 1.108 411 N CA -0.254 52.928 53.050 0.219 0.000 0.956 411 N CB 0.995 39.632 38.487 0.250 0.000 1.176 411 N HN 0.575 nan 8.380 nan 0.000 0.484 412 L N 2.262 123.544 121.223 0.099 0.000 2.342 412 L HA 0.584 5.039 4.340 0.193 0.000 0.271 412 L C -2.056 174.844 176.870 0.049 0.000 1.008 412 L CA -1.911 52.941 54.840 0.020 0.000 0.818 412 L CB 2.190 44.213 42.059 -0.060 0.000 1.296 412 L HN 0.326 nan 8.230 nan 0.000 0.427 413 P HA 0.318 nan 4.420 nan 0.000 0.272 413 P C -0.555 176.785 177.300 0.066 0.000 1.223 413 P CA -0.037 63.103 63.100 0.066 0.000 0.784 413 P CB 1.403 33.136 31.700 0.056 0.000 0.923 414 G N -0.685 108.178 108.800 0.104 0.000 2.646 414 G HA2 0.429 4.505 3.960 0.193 0.000 0.291 414 G HA3 0.429 4.505 3.960 0.193 0.000 0.291 414 G C 0.467 175.439 174.900 0.121 0.000 1.445 414 G CA -0.080 45.076 45.100 0.094 0.000 0.814 414 G HN 0.357 nan 8.290 nan 0.000 0.495 415 A N -0.483 122.382 122.820 0.076 0.000 1.978 415 A HA 0.066 4.501 4.320 0.193 0.000 0.220 415 A C 1.357 178.984 177.584 0.071 0.000 1.170 415 A CA 1.987 54.055 52.037 0.051 0.000 0.636 415 A CB -0.208 18.795 19.000 0.006 0.000 0.810 415 A HN 0.619 nan 8.150 nan 0.000 0.448 416 E N -0.439 119.841 120.200 0.133 0.000 2.685 416 E HA 0.174 4.640 4.350 0.193 0.000 0.208 416 E C -0.701 176.221 176.600 0.537 0.000 0.996 416 E CA -0.209 56.315 56.400 0.207 0.000 1.054 416 E CB 0.450 30.187 29.700 0.062 0.000 1.075 416 E HN 0.477 nan 8.360 nan 0.000 0.460 417 E N 0.042 120.559 120.200 0.529 0.000 2.410 417 E HA 0.410 4.875 4.350 0.193 0.000 0.269 417 E C 0.201 177.030 176.600 0.382 0.000 0.937 417 E CA -0.824 55.870 56.400 0.490 0.000 0.793 417 E CB 1.415 31.297 29.700 0.302 0.000 1.314 417 E HN 0.158 nan 8.360 nan 0.000 0.447 418 G N 0.208 108.977 108.800 -0.051 0.000 2.621 418 G HA2 0.139 4.215 3.960 0.193 0.000 0.271 418 G HA3 0.139 4.215 3.960 0.193 0.000 0.271 418 G C -0.089 174.805 174.900 -0.010 0.000 1.236 418 G CA -0.334 44.604 45.100 -0.270 0.000 0.958 418 G HN 0.266 nan 8.290 nan 0.000 0.512 419 D N -0.600 119.787 120.400 -0.022 0.000 2.361 419 D HA 0.290 5.046 4.640 0.193 0.000 0.239 419 D C 1.058 177.427 176.300 0.116 0.000 1.200 419 D CA 0.431 54.476 54.000 0.075 0.000 0.915 419 D CB 0.416 41.282 40.800 0.110 0.000 1.170 419 D HN 0.451 nan 8.370 nan 0.000 0.444 420 G N -0.127 108.743 108.800 0.117 0.000 2.340 420 G HA2 0.332 4.407 3.960 0.193 0.000 0.245 420 G HA3 0.332 4.407 3.960 0.193 0.000 0.245 420 G C -0.827 174.191 174.900 0.197 0.000 1.294 420 G CA 0.132 45.304 45.100 0.119 0.000 0.896 420 G HN 0.301 nan 8.290 nan 0.000 0.522 421 F N 1.225 121.156 119.950 -0.031 0.000 2.719 421 F HA 0.596 5.240 4.527 0.194 0.000 0.309 421 F C -1.568 174.155 175.800 -0.127 0.000 1.138 421 F CA -1.202 56.721 58.000 -0.129 0.000 0.943 421 F CB 1.922 40.776 39.000 -0.243 0.000 1.304 421 F HN 0.525 nan 8.300 nan 0.000 0.445 422 F N 3.909 123.525 119.950 -0.557 0.000 2.569 422 F HA 0.708 5.350 4.527 0.192 0.000 0.312 422 F C -2.161 173.365 175.800 -0.456 0.000 1.109 422 F CA -0.881 56.901 58.000 -0.363 0.000 0.919 422 F CB 1.384 40.256 39.000 -0.213 0.000 1.211 422 F HN 0.342 nan 8.300 nan 0.000 0.446 423 Y N 3.671 123.503 120.300 -0.779 0.000 2.425 423 Y HA 0.811 5.476 4.550 0.191 0.000 0.344 423 Y C -0.415 174.869 175.900 -1.027 0.000 0.969 423 Y CA -1.246 56.460 58.100 -0.657 0.000 1.052 423 Y CB 2.016 40.200 38.460 -0.461 0.000 1.215 423 Y HN 0.800 nan 8.280 nan 0.000 0.451 424 A N 1.549 124.131 122.820 -0.397 0.000 2.381 424 A HA 0.701 5.136 4.320 0.193 0.000 0.299 424 A C -1.134 176.377 177.584 -0.121 0.000 1.049 424 A CA -1.015 50.858 52.037 -0.273 0.000 0.715 424 A CB 0.903 19.875 19.000 -0.047 0.000 1.222 424 A HN 0.522 nan 8.150 nan 0.000 0.428 425 K N 2.272 122.574 120.400 -0.162 0.000 2.235 425 K HA 0.857 5.292 4.320 0.193 0.000 0.266 425 K C -0.991 175.633 176.600 0.039 0.000 0.980 425 K CA -0.503 55.770 56.287 -0.024 0.000 0.849 425 K CB 0.962 33.458 32.500 -0.008 0.000 1.098 425 K HN 0.629 nan 8.250 nan 0.000 0.445 426 L N 2.696 123.991 121.223 0.120 0.000 2.370 426 L HA 0.711 5.166 4.340 0.193 0.000 0.266 426 L C -0.103 176.939 176.870 0.286 0.000 1.002 426 L CA -1.345 53.624 54.840 0.215 0.000 0.818 426 L CB 1.938 44.149 42.059 0.252 0.000 1.325 426 L HN 0.809 nan 8.230 nan 0.000 0.418 427 I N -0.950 119.810 120.570 0.317 0.000 2.730 427 I HA 0.644 4.930 4.170 0.193 0.000 0.298 427 I C -0.916 175.419 176.117 0.362 0.000 1.089 427 I CA -0.839 60.619 61.300 0.263 0.000 1.041 427 I CB 2.210 40.306 38.000 0.160 0.000 1.235 427 I HN 0.577 nan 8.210 nan 0.000 0.423 428 K N 0.000 120.539 120.400 0.231 0.000 2.780 428 K HA 0.000 4.436 4.320 0.193 0.000 0.191 428 K CA 0.000 56.438 56.287 0.252 0.000 0.838 428 K CB 0.000 32.465 32.500 -0.059 0.000 1.064 428 K HN 0.000 nan 8.250 nan 0.000 0.543